| 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 | 62.8 | Low | 81.9 | Confident | 215 Ų | 215 | 129.6 Ų | 129.6 | 100% | 1.059 | 63% | 0.628 | S | S | * | * | 0 | 111 | 0 | -87.6 | -65.8 | -157.1 | 0 | 0 | 107.1 | K3 | M1-K3 PolarHBondContact O-N 3.39Š| |||
| 2 | D | 79.7 | Confident | 81.4 | Confident | 122 Ų | 122 | 129.8 Ų | 129.8 | 65% | 0.652 | 63% | 0.626 | S | S | * | * | trans | -72.8 | 120.1 | -177.7 | -68.1 | -25.9 | 0 | 0 | 0 | 110.1 | K4 L5 V6 | D2-K4 PolarHBondContact O-N 3.48Å; D2-K4 VanDerWaalsContact O-N 3.15Å; D2-L5 HydrophobicContact CB-CB 4.17Å; D2-L5 WeakPolarHBondContact O-CB 3.39Å; D2-L5 PolarHBondContact O-N 3.4Å; D2-V6 PolarHBondContact O-N 3.39Å | ||
| 3 | K | 85.2 | Confident | 80.9 | Confident | 161 Ų | 161 | 122.4 Ų | 122.4 | 70% | 0.7 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -51.9 | -39.2 | 178.7 | -169.8 | -174.3 | 175.1 | -162 | 0 | 111.9 | M1 L5 V6 D7 | M1-K3 PolarHBondContact O-N 3.39Å; K3-L5 VanDerWaalsContact C-N 3.3Å; K3-L5 PolarHBondContact O-N 3.48Å; K3-V6 PolarHBondContact O-N 3.27Å; K3-D7 WeakPolarHBondContact O-CB 3.46Å; K3-D7 VanDerWaalsContact O-CG 3.23Å; K3-D7 PolarHBondContact O-N 3.47Å |
| 4 | K | 84.8 | Confident | 80.3 | Confident | 173 Ų | 173 | 119.3 Ų | 119.3 | 75% | 0.752 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.6 | -33.6 | 176.7 | -66.9 | -175.9 | 178.1 | 178.7 | 0 | 113.5 | D2 N8 | D2-K4 PolarHBondContact O-N 3.48Å; D2-K4 VanDerWaalsContact O-N 3.15Å; K4-N8 WeakPolarHBondContact O-CB 3.49Å; K4-N8 PolarHBondContact O-N 3.35Å; K4-N8 PolarHBondContact O-ND2 3.42Å |
| 5 | L | 86.7 | Confident | 79.4 | Confident | 118 Ų | 118 | 115.6 Ų | 115.6 | 62% | 0.618 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -72.5 | -41.7 | 178.8 | -172.7 | 65.3 | 0 | 0 | 0 | 110.7 | D2 K3 Y9 | D2-L5 HydrophobicContact CB-CB 4.17Å; D2-L5 WeakPolarHBondContact O-CB 3.39Å; D2-L5 PolarHBondContact O-N 3.4Å; K3-L5 VanDerWaalsContact C-N 3.3Å; K3-L5 PolarHBondContact O-N 3.48Å; L5-Y9 WeakPolarHBondContact O-CB 3.43Å; L5-Y9 PolarHBondContact O-N 3.21Å |
| 6 | V | 84.3 | Confident | 78.3 | Confident | 72 Ų | 72 | 117 Ų | 117 | 44% | 0.436 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.7 | -46.2 | 175.6 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | D2 K3 N8 Y9 V10 | D2-V6 PolarHBondContact O-N 3.39Å; K3-V6 PolarHBondContact O-N 3.27Å; V6-N8 PolarHBondContact O-N 3.03Å; V6-Y9 PolarHBondContact O-N 3.02Å; V6-V10 HydrophobicContact CG1-CG2 4.4Å; V6-V10 WeakPolarHBondContact O-CG2 3.37Å; V6-V10 PolarHBondContact O-N 3.48Å |
| 7 | D | 85.1 | Confident | 77.6 | Confident | 86 Ų | 86 | 116.6 Ų | 116.6 | 46% | 0.46 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.8 | -42.2 | 179.4 | -68.4 | -20.2 | 0 | 0 | 0 | 111.7 | K3 V10 K11 | K3-D7 WeakPolarHBondContact O-CB 3.46Å; K3-D7 VanDerWaalsContact O-CG 3.23Å; K3-D7 PolarHBondContact O-N 3.47Å; D7-V10 PolarHBondContact O-N 2.99Å; D7-K11 WeakPolarHBondContact O-CB 3.36Å; D7-K11 PolarHBondContact O-N 3.42Å |
| 8 | N | 84.5 | Confident | 76.9 | Confident | 88 Ų | 88 | 121.2 Ų | 121.2 | 47% | 0.471 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64 | -42.9 | 174.1 | -84.4 | -34.8 | 0 | 0 | 0 | 112 | K4 V6 V10 K11 H12 | K4-N8 WeakPolarHBondContact O-CB 3.49Å; K4-N8 PolarHBondContact O-N 3.35Å; K4-N8 PolarHBondContact O-ND2 3.42Å; V6-N8 PolarHBondContact O-N 3.03Å; N8-V10 PolarHBondContact O-N 3.27Å; N8-K11 PolarHBondContact O-N 3.37Å; N8-H12 PolarHBondContact O-CD2 3.04Å; N8-H12 PolarHBondContact O-N 3.42Å |
| 9 | Y | 82.9 | Confident | 76.5 | Confident | 174 Ų | 174 | 120.3 Ų | 120.3 | 68% | 0.682 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.7 | -44.7 | 177.2 | -177 | -97.6 | 0 | 0 | 0 | 111.9 | L5 V6 K11 H12 A13 | L5-Y9 WeakPolarHBondContact O-CB 3.43Å; L5-Y9 PolarHBondContact O-N 3.21Å; V6-Y9 PolarHBondContact O-N 3.02Å; Y9-K11 VanDerWaalsContact C-N 3.33Å; Y9-K11 PolarHBondContact O-N 3.32Å; Y9-H12 PolarHBondContact O-N 3.16Å; Y9-A13 WeakPolarHBondContact O-CB 3.41Å; Y9-A13 PolarHBondContact O-N 3.31Å |
| 10 | V | 82.2 | Confident | 76 | Confident | 78 Ų | 78 | 115.8 Ų | 115.8 | 47% | 0.473 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.3 | -39.9 | 176.4 | 174.3 | 0 | 0 | 0 | 0 | 111 | V6 D7 N8 A13 T14 | V6-V10 HydrophobicContact CG1-CG2 4.4Å; V6-V10 WeakPolarHBondContact O-CG2 3.37Å; V6-V10 PolarHBondContact O-N 3.48Å; D7-V10 PolarHBondContact O-N 2.99Å; N8-V10 PolarHBondContact O-N 3.27Å; V10-A13 PolarHBondContact O-N 3.49Å; V10-T14 HydrophobicContact CG1-CG2 4.42Å; V10-T14 WeakPolarHBondContact O-CB 3.44Å; V10-T14 WeakPolarHBondContact O-CG2 3.45Å; V10-T14 PolarHBondContact O-N 3.38Å; V10-T14 PolarHBondContact O-OG1 3.22Å |
| 11 | K | 82.9 | Confident | 75.6 | Confident | 139 Ų | 139 | 112.8 Ų | 112.8 | 60% | 0.604 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.5 | -41.1 | 175.3 | -169 | 176.8 | 179.7 | -177.6 | 0 | 112.2 | D7 N8 Y9 T14 T15 | D7-K11 WeakPolarHBondContact O-CB 3.36Å; D7-K11 PolarHBondContact O-N 3.42Å; N8-K11 PolarHBondContact O-N 3.37Å; Y9-K11 VanDerWaalsContact C-N 3.33Å; Y9-K11 PolarHBondContact O-N 3.32Å; K11-T14 WeakPolarHBondContact CA-OG1 3.39Å; K11-T14 PolarHBondContact O-OG1 2.71Å; K11-T15 WeakPolarHBondContact O-CB 3.33Å; K11-T15 VanDerWaalsContact O-CG2 3.32Å; K11-T15 WeakPolarHBondContact O-CG2 3.43Å; K11-T15 PolarHBondContact O-N 3.18Å; K11-T15 VanDerWaalsContact O-N 3.09Å; K11-T15 PolarHBondContact O-OG1 3.34Å |
| 12 | H | 75.2 | Confident | 75.8 | Confident | 131 Ų | 131 | 105.7 Ų | 105.7 | 61% | 0.606 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.3 | -40.4 | 175 | -81 | -70.3 | 0 | 0 | 0 | 112.4 | N8 Y9 T15 H16 | N8-H12 PolarHBondContact O-CD2 3.04Å; N8-H12 PolarHBondContact O-N 3.42Å; Y9-H12 PolarHBondContact O-N 3.16Å; H12-T15 WeakPolarHBondContact CA-OG1 3.24Å; H12-T15 PolarHBondContact O-OG1 3.22Å; H12-H16 VanDerWaalsContact O-CB 3.31Å; H12-H16 WeakPolarHBondContact O-CB 3.32Å; H12-H16 PolarHBondContact O-N 3.02Å |
| 13 | A | 75.4 | Confident | 75.5 | Confident | 34 Ų | 34 | 106 Ų | 106 | 28% | 0.281 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y9 V10 H16 N17 | Y9-A13 WeakPolarHBondContact O-CB 3.41Å; Y9-A13 PolarHBondContact O-N 3.31Å; V10-A13 PolarHBondContact O-N 3.49Å; A13-H16 PolarHBondContact O-N 3.4Å; A13-N17 WeakPolarHBondContact O-CB 3.36Å; A13-N17 PolarHBondContact O-N 2.87Å; A13-N17 PolarHBondContact O-ND2 3.49Å |
| 14 | T | 72 | Confident | 75 | Confident | 79 Ų | 79 | 103.8 Ų | 103.8 | 49% | 0.485 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 178 | 48 | 0 | 0 | 0 | 0 | 112.2 | V10 K11 N17 R18 | V10-T14 HydrophobicContact CG1-CG2 4.42Å; V10-T14 WeakPolarHBondContact O-CB 3.44Å; V10-T14 WeakPolarHBondContact O-CG2 3.45Å; V10-T14 PolarHBondContact O-N 3.38Å; V10-T14 PolarHBondContact O-OG1 3.22Å; K11-T14 WeakPolarHBondContact CA-OG1 3.39Å; K11-T14 PolarHBondContact O-OG1 2.71Å; T14-N17 PolarHBondContact O-N 3.22Å; T14-R18 VanDerWaalsContact O-CB 3.32Å; T14-R18 WeakPolarHBondContact O-CB 3.47Å; T14-R18 PolarHBondContact O-N 3.44Å |
| 15 | T | 67.3 | Low | 74.7 | Confident | 64 Ų | 64 | 101.9 Ų | 101.9 | 39% | 0.393 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 175.3 | 49.5 | 0 | 0 | 0 | 0 | 111.8 | K11 H12 N17 R18 L19 | K11-T15 WeakPolarHBondContact O-CB 3.33Å; K11-T15 VanDerWaalsContact O-CG2 3.32Å; K11-T15 WeakPolarHBondContact O-CG2 3.43Å; K11-T15 PolarHBondContact O-N 3.18Å; K11-T15 VanDerWaalsContact O-N 3.09Å; K11-T15 PolarHBondContact O-OG1 3.34Å; H12-T15 WeakPolarHBondContact CA-OG1 3.24Å; H12-T15 PolarHBondContact O-OG1 3.22Å; T15-N17 PolarHBondContact O-N 3.2Å; T15-R18 PolarHBondContact O-N 2.91Å; T15-L19 WeakPolarHBondContact O-CB 3.32Å; T15-L19 VanDerWaalsContact O-CG 3.29Å; T15-L19 WeakPolarHBondContact O-CG 3.46Å; T15-L19 PolarHBondContact O-N 3.12Å |
| 16 | H | 62.6 | Low | 74.2 | Confident | 138 Ų | 138 | 100.5 Ų | 100.5 | 64% | 0.639 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.8 | -41.8 | 175.4 | -173.1 | -85.7 | 0 | 0 | 0 | 112.3 | H12 A13 R18 L19 G20 | H12-H16 VanDerWaalsContact O-CB 3.31Å; H12-H16 WeakPolarHBondContact O-CB 3.32Å; H12-H16 PolarHBondContact O-N 3.02Å; A13-H16 PolarHBondContact O-N 3.4Å; H16-R18 VanDerWaalsContact C-N 3.33Å; H16-R18 PolarHBondContact O-N 2.96Å; H16-L19 PolarHBondContact O-N 2.91Å; H16-G20 PolarHBondContact O-N 3.36Å |
| 17 | N | 65 | Low | 73.9 | Confident | 110 Ų | 110 | 102 Ų | 102 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.6 | -36.5 | 176.5 | -71.4 | -21.1 | 0 | 0 | 0 | 112.2 | A13 T14 T15 S21 | A13-N17 WeakPolarHBondContact O-CB 3.36Å; A13-N17 PolarHBondContact O-N 2.87Å; A13-N17 PolarHBondContact O-ND2 3.49Å; T14-N17 PolarHBondContact O-N 3.22Å; T15-N17 PolarHBondContact O-N 3.2Å; N17-S21 VanDerWaalsContact O-CB 3.24Å; N17-S21 WeakPolarHBondContact O-CB 3.29Å; N17-S21 PolarHBondContact O-N 3.02Å |
| 18 | R | 66.3 | Low | 73.7 | Confident | 200 Ų | 200 | 103.4 Ų | 103.4 | 76% | 0.755 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.7 | -45.5 | 175.8 | -162.7 | 176.7 | -162 | 172.8 | 4.6 | 110.9 | T14 T15 H16 S21 T22 | T14-R18 VanDerWaalsContact O-CB 3.32Å; T14-R18 WeakPolarHBondContact O-CB 3.47Å; T14-R18 PolarHBondContact O-N 3.44Å; T15-R18 PolarHBondContact O-N 2.91Å; H16-R18 VanDerWaalsContact C-N 3.33Å; H16-R18 PolarHBondContact O-N 2.96Å; R18-S21 PolarHBondContact O-N 3.02Å; R18-T22 WeakPolarHBondContact O-CG2 3.27Å; R18-T22 PolarHBondContact O-N 3.5Å; R18-T22 PolarHBondContact O-OG1 3.15Å |
| 19 | L | 68.7 | Low | 73.7 | Confident | 104 Ų | 104 | 104.7 Ų | 104.7 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.4 | -45.2 | 178.8 | -71.1 | 172.9 | 0 | 0 | 0 | 111.8 | T15 H16 S21 T22 E23 | T15-L19 WeakPolarHBondContact O-CB 3.32Å; T15-L19 VanDerWaalsContact O-CG 3.29Å; T15-L19 WeakPolarHBondContact O-CG 3.46Å; T15-L19 PolarHBondContact O-N 3.12Å; H16-L19 PolarHBondContact O-N 2.91Å; L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 2.6Å; L19-T22 VanDerWaalsContact CA-OG1 3.29Å; L19-T22 WeakPolarHBondContact CA-OG1 3.4Å; L19-T22 PolarHBondContact O-N 3.5Å; L19-T22 VanDerWaalsContact O-N 3.09Å; L19-T22 PolarHBondContact O-OG1 2.7Å; L19-E23 WeakPolarHBondContact O-CB 3.49Å; L19-E23 WeakPolarHBondContact O-CG 3.48Å; L19-E23 PolarHBondContact O-N 3.45Å |
| 20 | G | 67.2 | Low | 73.8 | Confident | 29 Ų | 29 | 100.7 Ų | 100.7 | 30% | 0.299 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | H16 Q24 | H16-G20 PolarHBondContact O-N 3.36Å; G20-Q24 VanDerWaalsContact O-CB 3.29Å; G20-Q24 WeakPolarHBondContact O-CB 3.29Å; G20-Q24 PolarHBondContact O-N 3.35Å |
| 21 | S | 66.1 | Low | 74 | Confident | 54 Ų | 54 | 102.1 Ų | 102.1 | 38% | 0.378 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.4 | -38.4 | 172.7 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | N17 R18 L19 K25 | N17-S21 VanDerWaalsContact O-CB 3.24Å; N17-S21 WeakPolarHBondContact O-CB 3.29Å; N17-S21 PolarHBondContact O-N 3.02Å; R18-S21 PolarHBondContact O-N 3.02Å; L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 2.6Å; S21-K25 WeakPolarHBondContact O-CB 3.44Å; S21-K25 VanDerWaalsContact O-CG 3.23Å; S21-K25 WeakPolarHBondContact O-CG 3.43Å; S21-K25 PolarHBondContact O-N 3.37Å |
| 22 | T | 68.4 | Low | 74.3 | Confident | 66 Ų | 66 | 98.8 Ų | 98.8 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.9 | -41.4 | 176.2 | 50.2 | 0 | 0 | 0 | 0 | 112.2 | R18 L19 Q24 K25 V26 | R18-T22 WeakPolarHBondContact O-CG2 3.27Å; R18-T22 PolarHBondContact O-N 3.5Å; R18-T22 PolarHBondContact O-OG1 3.15Å; L19-T22 VanDerWaalsContact CA-OG1 3.29Å; L19-T22 WeakPolarHBondContact CA-OG1 3.4Å; L19-T22 PolarHBondContact O-N 3.5Å; L19-T22 VanDerWaalsContact O-N 3.09Å; L19-T22 PolarHBondContact O-OG1 2.7Å; T22-Q24 VanDerWaalsContact C-N 3.35Å; T22-K25 PolarHBondContact O-N 2.9Å; T22-V26 VanDerWaalsContact O-CG2 3.27Å; T22-V26 WeakPolarHBondContact O-CG2 3.46Å; T22-V26 PolarHBondContact O-N 2.9Å |
| 23 | E | 73 | Confident | 75.1 | Confident | 127 Ų | 127 | 99.3 Ų | 99.3 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.7 | -42.4 | 176.5 | -73.6 | -179.4 | 179.6 | 0 | 0 | 110.9 | L19 K25 V26 L27 | L19-E23 WeakPolarHBondContact O-CB 3.49Å; L19-E23 WeakPolarHBondContact O-CG 3.48Å; L19-E23 PolarHBondContact O-N 3.45Å; E23-K25 PolarHBondContact O-N 3.45Å; E23-V26 PolarHBondContact O-N 2.96Å; E23-L27 WeakPolarHBondContact O-CG 3.49Å; E23-L27 PolarHBondContact O-N 3.48Å |
| 24 | Q | 74.3 | Confident | 75.8 | Confident | 116 Ų | 116 | 103.2 Ų | 103.2 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 174.5 | -172.5 | 175.2 | -9.2 | 0 | 0 | 111.8 | G20 T22 V26 L27 E28 | G20-Q24 VanDerWaalsContact O-CB 3.29Å; G20-Q24 WeakPolarHBondContact O-CB 3.29Å; G20-Q24 PolarHBondContact O-N 3.35Å; T22-Q24 VanDerWaalsContact C-N 3.35Å; Q24-V26 PolarHBondContact O-N 3.14Å; Q24-L27 PolarHBondContact O-N 2.86Å; Q24-E28 HydrophobicContact CG-CG 4.49Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.37Å; Q24-E28 PolarHBondContact NE2-OE1 3.41Å; Q24-E28 WeakPolarHBondContact O-CB 3.48Å; Q24-E28 WeakPolarHBondContact O-CG 3.39Å; Q24-E28 PolarHBondContact O-N 3.1Å |
| 25 | K | 78.1 | Confident | 76.7 | Confident | 132 Ų | 132 | 101.9 Ų | 101.9 | 57% | 0.574 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61 | -42.7 | 174.7 | -77.3 | 174.4 | -176.9 | -175.6 | 0 | 112.1 | S21 T22 E23 E28 E29 | S21-K25 WeakPolarHBondContact O-CB 3.44Å; S21-K25 VanDerWaalsContact O-CG 3.23Å; S21-K25 WeakPolarHBondContact O-CG 3.43Å; S21-K25 PolarHBondContact O-N 3.37Å; T22-K25 PolarHBondContact O-N 2.9Å; E23-K25 PolarHBondContact O-N 3.45Å; K25-E28 PolarHBondContact O-N 3.13Å; K25-E29 VanDerWaalsContact O-CB 3.32Å; K25-E29 WeakPolarHBondContact O-CB 3.29Å; K25-E29 PolarHBondContact O-N 2.96Å |
| 26 | V | 76.9 | Confident | 77.7 | Confident | 89 Ų | 89 | 102.4 Ų | 102.4 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 177 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | T22 E23 Q24 E29 E30 | T22-V26 VanDerWaalsContact O-CG2 3.27Å; T22-V26 WeakPolarHBondContact O-CG2 3.46Å; T22-V26 PolarHBondContact O-N 2.9Å; E23-V26 PolarHBondContact O-N 2.96Å; Q24-V26 PolarHBondContact O-N 3.14Å; V26-E29 PolarHBondContact O-N 3.37Å; V26-E30 WeakPolarHBondContact O-CB 3.29Å; V26-E30 PolarHBondContact O-N 3.37Å |
| 27 | L | 77.1 | Confident | 79 | Confident | 105 Ų | 105 | 103.4 Ų | 103.4 | 55% | 0.55 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 177 | -71.5 | 171.1 | 0 | 0 | 0 | 112.5 | E23 Q24 E30 Q31 | E23-L27 WeakPolarHBondContact O-CG 3.49Å; E23-L27 PolarHBondContact O-N 3.48Å; Q24-L27 PolarHBondContact O-N 2.86Å; L27-E30 PolarHBondContact O-N 2.72Å; L27-Q31 VanDerWaalsContact O-CG 3.24Å; L27-Q31 WeakPolarHBondContact O-CG 3.41Å; L27-Q31 PolarHBondContact O-N 3.43Å |
| 28 | E | 81.4 | Confident | 80.2 | Confident | 115 Ų | 115 | 103.6 Ų | 103.6 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 176.3 | -74.5 | 176.3 | -167.3 | 0 | 0 | 111.7 | Q24 K25 Q31 C32 | Q24-E28 HydrophobicContact CG-CG 4.49Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.37Å; Q24-E28 PolarHBondContact NE2-OE1 3.41Å; Q24-E28 WeakPolarHBondContact O-CB 3.48Å; Q24-E28 WeakPolarHBondContact O-CG 3.39Å; Q24-E28 PolarHBondContact O-N 3.1Å; K25-E28 PolarHBondContact O-N 3.13Å; E28-Q31 PolarHBondContact O-N 3.41Å; E28-C32 WeakPolarHBondContact O-CB 3.23Å; E28-C32 PolarHBondContact O-N 2.92Å |
| 29 | E | 84.4 | Confident | 81.2 | Confident | 115 Ų | 115 | 101.6 Ų | 101.6 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 174.3 | -176 | 173.9 | -175.5 | 0 | 0 | 111.6 | K25 V26 Q31 C32 W33 | K25-E29 VanDerWaalsContact O-CB 3.32Å; K25-E29 WeakPolarHBondContact O-CB 3.29Å; K25-E29 PolarHBondContact O-N 2.96Å; V26-E29 PolarHBondContact O-N 3.37Å; E29-Q31 VanDerWaalsContact C-N 3.33Å; E29-Q31 PolarHBondContact O-N 3.41Å; E29-C32 VanDerWaalsContact O-CB 3.29Å; E29-C32 WeakPolarHBondContact O-CB 3.43Å; E29-C32 PolarHBondContact O-N 3.29Å; E29-C32 VanDerWaalsContact O-N 3.16Å; E29-W33 VanDerWaalsContact O-CD1 3.26Å; E29-W33 PolarHBondContact O-N 3.28Å |
| 30 | E | 86.3 | Confident | 81.9 | Confident | 89 Ų | 89 | 102.1 Ų | 102.1 | 42% | 0.416 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 177.7 | -154.1 | -161.4 | 150.2 | 0 | 0 | 111.6 | V26 L27 C32 W33 R34 | V26-E30 WeakPolarHBondContact O-CB 3.29Å; V26-E30 PolarHBondContact O-N 3.37Å; L27-E30 PolarHBondContact O-N 2.72Å; E30-C32 VanDerWaalsContact C-N 3.35Å; E30-W33 PolarHBondContact O-N 3.28Å; E30-R34 VanDerWaalsContact CD-NH2 3.28Å; E30-R34 WeakPolarHBondContact O-CG 3.37Å; E30-R34 PolarHBondContact O-N 3.45Å; E30-R34 IonicContact OE1-CZ 3.5Å; E30-R34 IonicContact OE1-NE 2.7Å; E30-R34 PolarHBondContact OE1-NE 2.89Å; E30-R34 IonicContact OE1-NH2 3.47Å; E30-R34 PolarHBondContact OE1-NH2 3.43Å; E30-R34 IonicContact OE2-NH2 3.35Å; E30-R34 PolarHBondContact OE2-NH2 3.02Å |
| 31 | Q | 85.1 | Confident | 82.8 | Confident | 108 Ų | 108 | 108.5 Ų | 108.5 | 51% | 0.505 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 173.6 | -69.5 | -73.4 | -2.1 | 0 | 0 | 111.9 | L27 E28 E29 R34 E35 | L27-Q31 VanDerWaalsContact O-CG 3.24Å; L27-Q31 WeakPolarHBondContact O-CG 3.41Å; L27-Q31 PolarHBondContact O-N 3.43Å; E28-Q31 PolarHBondContact O-N 3.41Å; E29-Q31 VanDerWaalsContact C-N 3.33Å; E29-Q31 PolarHBondContact O-N 3.41Å; Q31-R34 PolarHBondContact O-N 2.88Å; Q31-E35 PolarHBondContact O-N 2.89Å |
| 32 | C | 89.5 | Confident | 83.4 | Confident | 70 Ų | 70 | 113.5 Ų | 113.5 | 47% | 0.473 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.5 | -48.9 | 174.1 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | E28 E29 E30 R34 E35 I36 | E28-C32 WeakPolarHBondContact O-CB 3.23Å; E28-C32 PolarHBondContact O-N 2.92Å; E29-C32 VanDerWaalsContact O-CB 3.29Å; E29-C32 WeakPolarHBondContact O-CB 3.43Å; E29-C32 PolarHBondContact O-N 3.29Å; E29-C32 VanDerWaalsContact O-N 3.16Å; E30-C32 VanDerWaalsContact C-N 3.35Å; C32-R34 PolarHBondContact O-N 3.48Å; C32-E35 PolarHBondContact O-N 3.39Å; C32-E35 VanDerWaalsContact O-N 3.15Å; C32-I36 WeakPolarHBondContact O-CG1 3.49Å; C32-I36 PolarHBondContact O-N 2.85Å |
| 33 | W | 91.2 | Very high | 83.6 | Confident | 142 Ų | 142 | 112.9 Ų | 112.9 | 54% | 0.538 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -38.2 | 178.1 | -79.5 | 115.5 | 0 | 0 | 0 | 113.4 | E29 E30 E35 I36 K37 | E29-W33 VanDerWaalsContact O-CD1 3.26Å; E29-W33 PolarHBondContact O-N 3.28Å; E30-W33 PolarHBondContact O-N 3.28Å; W33-E35 VanDerWaalsContact C-N 3.34Å; W33-E35 PolarHBondContact O-N 2.89Å; W33-I36 HydrophobicContact CD2-CD1 4.46Å; W33-I36 HydrophobicContact CE3-CB 4.43Å; W33-I36 HydrophobicContact CE3-CD1 3.98Å; W33-I36 HydrophobicContact CE3-CG2 4.42Å; W33-I36 HydrophobicContact CZ3-CD1 4.19Å; W33-I36 HydrophobicContact CZ3-CG2 4.43Å; W33-I36 PolarHBondContact O-N 3.21Å; W33-K37 WeakPolarHBondContact O-CG 3.42Å; W33-K37 PolarHBondContact O-N 3.02Å |
| 34 | R | 91.2 | Very high | 83.6 | Confident | 116 Ų | 116 | 110 Ų | 110 | 44% | 0.438 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 173.8 | -70.8 | 178.3 | -162.3 | 168.8 | 2.6 | 111.8 | E30 Q31 C32 R38 | E30-R34 VanDerWaalsContact CD-NH2 3.28Å; E30-R34 WeakPolarHBondContact O-CG 3.37Å; E30-R34 PolarHBondContact O-N 3.45Å; E30-R34 IonicContact OE1-CZ 3.5Å; E30-R34 IonicContact OE1-NE 2.7Å; E30-R34 PolarHBondContact OE1-NE 2.89Å; E30-R34 IonicContact OE1-NH2 3.47Å; E30-R34 PolarHBondContact OE1-NH2 3.43Å; E30-R34 IonicContact OE2-NH2 3.35Å; E30-R34 PolarHBondContact OE2-NH2 3.02Å; Q31-R34 PolarHBondContact O-N 2.88Å; C32-R34 PolarHBondContact O-N 3.48Å; R34-R38 WeakPolarHBondContact O-CB 3.4Å; R34-R38 PolarHBondContact O-N 3.05Å |
| 35 | E | 90.7 | Very high | 83.3 | Confident | 50 Ų | 50 | 111.5 Ų | 111.5 | 23% | 0.234 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -68.8 | -40 | 176.3 | 177.8 | 58.3 | -163.3 | 0 | 0 | 111.9 | Q31 C32 W33 R38 R39 | Q31-E35 PolarHBondContact O-N 2.89Å; C32-E35 PolarHBondContact O-N 3.39Å; C32-E35 VanDerWaalsContact O-N 3.15Å; W33-E35 VanDerWaalsContact C-N 3.34Å; W33-E35 PolarHBondContact O-N 2.89Å; E35-R38 WeakPolarHBondContact O-CB 3.48Å; E35-R38 PolarHBondContact O-N 3.22Å; E35-R38 IonicContact OE2-CZ 3.49Å; E35-R38 IonicContact OE2-NE 3.85Å; E35-R38 IonicContact OE2-NH1 2.6Å; E35-R38 PolarHBondContact OE2-NH1 3Å; E35-R39 WeakPolarHBondContact O-CG 3.31Å; E35-R39 PolarHBondContact O-N 2.76Å; E35-R39 IonicContact OE1-CZ 2.69Å; E35-R39 IonicContact OE1-NE 3.41Å; E35-R39 PolarHBondContact OE1-NE 3.16Å; E35-R39 IonicContact OE1-NH2 2.79Å; E35-R39 PolarHBondContact OE1-NH2 2.94Å |
| 36 | I | 89 | Confident | 82.4 | Confident | 76 Ų | 76 | 108.9 Ų | 108.9 | 39% | 0.39 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 174.2 | -68.4 | 166.8 | 0 | 0 | 0 | 110.6 | C32 W33 R38 R39 H40 | C32-I36 WeakPolarHBondContact O-CG1 3.49Å; C32-I36 PolarHBondContact O-N 2.85Å; W33-I36 HydrophobicContact CD2-CD1 4.46Å; W33-I36 HydrophobicContact CE3-CB 4.43Å; W33-I36 HydrophobicContact CE3-CD1 3.98Å; W33-I36 HydrophobicContact CE3-CG2 4.42Å; W33-I36 HydrophobicContact CZ3-CD1 4.19Å; W33-I36 HydrophobicContact CZ3-CG2 4.43Å; W33-I36 PolarHBondContact O-N 3.21Å; I36-R38 VanDerWaalsContact C-N 3.28Å; I36-R38 PolarHBondContact O-N 3.38Å; I36-R39 PolarHBondContact O-N 3.38Å; I36-H40 PolarHBondContact O-N 3.43Å |
| 37 | K | 89.6 | Confident | 81.6 | Confident | 158 Ų | 158 | 112.5 Ų | 112.5 | 69% | 0.687 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.8 | -39.9 | 176 | -75.7 | -178.4 | 179.9 | 177 | 0 | 111.9 | W33 H40 K41 | W33-K37 WeakPolarHBondContact O-CG 3.42Å; W33-K37 PolarHBondContact O-N 3.02Å; K37-H40 PolarHBondContact O-N 3.02Å; K37-K41 PolarHBondContact O-N 3.48Å |
| 38 | R | 89 | Confident | 80.7 | Confident | 115 Ų | 115 | 114.6 Ų | 114.6 | 43% | 0.434 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 177.3 | -169.6 | -174.4 | -61 | 142.8 | -0.6 | 112.1 | R34 E35 I36 R42 | R34-R38 WeakPolarHBondContact O-CB 3.4Å; R34-R38 PolarHBondContact O-N 3.05Å; E35-R38 WeakPolarHBondContact O-CB 3.48Å; E35-R38 PolarHBondContact O-N 3.22Å; E35-R38 IonicContact OE2-CZ 3.49Å; E35-R38 IonicContact OE2-NE 3.85Å; E35-R38 IonicContact OE2-NH1 2.6Å; E35-R38 PolarHBondContact OE2-NH1 3Å; I36-R38 VanDerWaalsContact C-N 3.28Å; I36-R38 PolarHBondContact O-N 3.38Å; R38-R42 WeakPolarHBondContact O-CG 3.24Å; R38-R42 PolarHBondContact O-N 2.92Å; R38-R42 VanDerWaalsContact O-N 3.12Å |
| 39 | R | 87.1 | Confident | 79.6 | Confident | 158 Ų | 158 | 119.3 Ų | 119.3 | 60% | 0.596 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.4 | -42.1 | 175.4 | -71.3 | 179.3 | -170.8 | 175.5 | 3.1 | 111.7 | E35 I36 K41 R42 S43 | E35-R39 WeakPolarHBondContact O-CG 3.31Å; E35-R39 PolarHBondContact O-N 2.76Å; E35-R39 IonicContact OE1-CZ 2.69Å; E35-R39 IonicContact OE1-NE 3.41Å; E35-R39 PolarHBondContact OE1-NE 3.16Å; E35-R39 IonicContact OE1-NH2 2.79Å; E35-R39 PolarHBondContact OE1-NH2 2.94Å; I36-R39 PolarHBondContact O-N 3.38Å; R39-K41 PolarHBondContact O-N 3.24Å; R39-R42 PolarHBondContact O-N 2.98Å; R39-S43 WeakPolarHBondContact O-CB 3.32Å; R39-S43 PolarHBondContact O-N 2.95Å |
| 40 | H | 85.1 | Confident | 78 | Confident | 115 Ų | 115 | 118.9 Ų | 118.9 | 53% | 0.532 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 177.1 | -168.2 | 77.7 | 0 | 0 | 0 | 111.6 | I36 K37 R42 S43 N44 | I36-H40 PolarHBondContact O-N 3.43Å; K37-H40 PolarHBondContact O-N 3.02Å; H40-R42 PolarHBondContact O-N 3.09Å; H40-S43 PolarHBondContact O-N 2.8Å; H40-N44 PolarHBondContact CD2-ND2 2.96Å; H40-N44 VanDerWaalsContact CD2-ND2 3.31Å; H40-N44 PolarHBondContact NE2-ND2 3.27Å; H40-N44 PolarHBondContact O-N 3.48Å |
| 41 | K | 85.8 | Confident | 76.5 | Confident | 163 Ų | 163 | 120.2 Ų | 120.2 | 71% | 0.709 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -58.9 | -44 | 174.2 | -172.9 | 174.6 | -178.5 | 176.1 | 0 | 112.5 | K37 R39 E45 | K37-K41 PolarHBondContact O-N 3.48Å; R39-K41 PolarHBondContact O-N 3.24Å; K41-E45 PolarHBondContact O-N 2.99Å |
| 42 | R | 78.7 | Confident | 74.8 | Confident | 159 Ų | 159 | 122 Ų | 122 | 60% | 0.6 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.8 | -34.8 | 177.4 | -72.7 | 176.2 | -179.2 | 150.3 | -2 | 113 | R38 R39 H40 S46 | R38-R42 WeakPolarHBondContact O-CG 3.24Å; R38-R42 PolarHBondContact O-N 2.92Å; R38-R42 VanDerWaalsContact O-N 3.12Å; R39-R42 PolarHBondContact O-N 2.98Å; H40-R42 PolarHBondContact O-N 3.09Å; R42-S46 PolarHBondContact O-N 3.23Å |
| 43 | S | 73 | Confident | 73.4 | Confident | 52 Ų | 52 | 123.6 Ų | 123.6 | 36% | 0.364 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.9 | -44 | 178.2 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | R39 H40 E45 S46 R47 | R39-S43 WeakPolarHBondContact O-CB 3.32Å; R39-S43 PolarHBondContact O-N 2.95Å; H40-S43 PolarHBondContact O-N 2.8Å; S43-E45 VanDerWaalsContact C-N 3.34Å; S43-E45 PolarHBondContact O-N 3.48Å; S43-S46 PolarHBondContact O-N 2.95Å; S43-S46 PolarHBondContact O-OG 2.79Å; S43-R47 PolarHBondContact O-N 3.41Å |
| 44 | N | 72.6 | Confident | 71.9 | Confident | 68 Ų | 68 | 121.9 Ų | 121.9 | 36% | 0.364 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.3 | -37.9 | 178.7 | -70.1 | -17.5 | 0 | 0 | 0 | 112.3 | H40 S46 R47 | H40-N44 PolarHBondContact CD2-ND2 2.96Å; H40-N44 VanDerWaalsContact CD2-ND2 3.31Å; H40-N44 PolarHBondContact NE2-ND2 3.27Å; H40-N44 PolarHBondContact O-N 3.48Å; N44-S46 PolarHBondContact O-N 3.35Å; N44-R47 PolarHBondContact O-N 2.96Å |
| 45 | E | 67.5 | Low | 70.4 | Confident | 147 Ų | 147 | 119.3 Ų | 119.3 | 69% | 0.687 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.6 | -23.4 | 174.2 | -168 | 67.3 | -138.9 | 0 | 0 | 113 | K41 S43 | K41-E45 PolarHBondContact O-N 2.99Å; S43-E45 VanDerWaalsContact C-N 3.34Å; S43-E45 PolarHBondContact O-N 3.48Å |
| 46 | S | 60.4 | Low | 68.9 | Low | 76 Ų | 76 | 120.6 Ų | 120.6 | 53% | 0.531 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -86 | -20 | -178.9 | 73.8 | 0 | 0 | 0 | 0 | 114.1 | R42 S43 N44 D48 | R42-S46 PolarHBondContact O-N 3.23Å; S43-S46 PolarHBondContact O-N 2.95Å; S43-S46 PolarHBondContact O-OG 2.79Å; N44-S46 PolarHBondContact O-N 3.35Å; S46-D48 VanDerWaalsContact C-N 3.34Å; S46-D48 PolarHBondContact O-N 2.69Å |
| 47 | R | 59.1 | Low | 67.8 | Low | 166 Ų | 166 | 123.6 Ų | 123.6 | 63% | 0.626 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.9 | -23.3 | -176.8 | -81.6 | 179.2 | 164.7 | 165.4 | -5.6 | 113.8 | S43 N44 R49 | S43-R47 PolarHBondContact O-N 3.41Å; N44-R47 PolarHBondContact O-N 2.96Å; R47-R49 VanDerWaalsContact C-N 3.29Å; R47-R49 PolarHBondContact O-N 3.03Å |
| 48 | D | 58.6 | Low | 67.1 | Low | 148 Ų | 148 | 119 Ų | 119 | 79% | 0.791 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 5.4 | -178.9 | -71 | -26.4 | 0 | 0 | 0 | 114.3 | S46 | S46-D48 VanDerWaalsContact C-N 3.34Å; S46-D48 PolarHBondContact O-N 2.69Å |
| 49 | R | 57.6 | Low | 66.6 | Low | 215 Ų | 215 | 119 Ų | 119 | 81% | 0.811 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -131.7 | 94.2 | 177 | -72 | -164.3 | 173.6 | 136.3 | 0.9 | 113.4 | R47 | R47-R49 VanDerWaalsContact C-N 3.29Å; R47-R49 PolarHBondContact O-N 3.03Å |
| 50 | S | 50.6 | Low | 66.4 | Low | 106 Ų | 106 | 118.2 Ų | 118.2 | 74% | 0.741 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 99.5 | 137.9 | 152.9 | -163.8 | 0 | 0 | 0 | 0 | 115.9 | E52 | S50-E52 PolarHBondContact O-N 3.41Š|
| 51 | P | 54.5 | Low | 66.4 | Low | 117 Ų | 117 | 115.5 Ų | 115.5 | 76% | 0.76 | 61% | 0.608 | S | S | * | * | trans | -67.3 | 131.2 | -170.4 | -12.5 | 27.2 | 0 | 0 | 0 | 112.1 | S53 | P51-S53 PolarHBondContact O-N 3.43Å; P51-S53 VanDerWaalsContact O-N 3.16Å | ||
| 52 | E | 51 | Low | 66.5 | Low | 144 Ų | 144 | 113.3 Ų | 113.3 | 67% | 0.673 | 60% | 0.603 | S | S | * | * | trans | -66.4 | 99.1 | 173.1 | -64.6 | 128.2 | 159 | 0 | 0 | 110.5 | S50 C55 | S50-E52 PolarHBondContact O-N 3.41Å; E52-C55 HydrophobicContact CB-CB 3.98Å; E52-C55 HydrophobicContact CG-CB 4.35Å | ||
| 53 | S | 60.2 | Low | 67.1 | Low | 105 Ų | 105 | 109 Ų | 109 | 73% | 0.734 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -114.9 | 10.7 | 167.8 | 81 | 0 | 0 | 0 | 0 | 113.4 | P51 | P51-S53 PolarHBondContact O-N 3.43Å; P51-S53 VanDerWaalsContact O-N 3.16Å |
| 54 | N | 59.1 | Low | 67.9 | Low | 106 Ų | 106 | 109.1 Ų | 109.1 | 57% | 0.567 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -131.5 | 3.3 | 175.6 | -71.8 | -67.1 | 0 | 0 | 0 | 112.9 | A56 Q57 S58 | N54-A56 PolarHBondContact O-N 2.98Å; N54-Q57 PolarHBondContact O-N 3.17Å; N54-S58 PolarHBondContact O-N 3.4Å; N54-S58 PolarHBondContact O-OG 3.42Å; N54-S58 VanDerWaalsContact O-OG 3.1Å |
| 55 | C | 58.7 | Low | 68.8 | Low | 62 Ų | 62 | 113.5 Ų | 113.5 | 42% | 0.419 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.7 | -48.8 | -172.1 | -167.7 | 0 | 0 | 0 | 0 | 111.7 | E52 Q57 S58 E59 | E52-C55 HydrophobicContact CB-CB 3.98Å; E52-C55 HydrophobicContact CG-CB 4.35Å; C55-Q57 PolarHBondContact O-N 3.3Å; C55-S58 WeakPolarHBondContact CA-OG 3.36Å; C55-S58 PolarHBondContact O-N 3.47Å; C55-S58 VanDerWaalsContact O-N 3.13Å; C55-S58 PolarHBondContact O-OG 2.98Å; C55-E59 WeakPolarHBondContact O-CB 3.36Å; C55-E59 PolarHBondContact O-N 3.39Å |
| 56 | A | 60.9 | Low | 70 | Confident | 76 Ų | 76 | 110.8 Ų | 110.8 | 63% | 0.628 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.5 | -39 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N54 E59 Q60 | N54-A56 PolarHBondContact O-N 2.98Å; A56-E59 PolarHBondContact O-N 3.35Å; A56-Q60 PolarHBondContact O-N 2.73Å; A56-Q60 VanDerWaalsContact O-N 3.14Å |
| 57 | Q | 64.4 | Low | 71.5 | Confident | 140 Ų | 140 | 114.6 Ų | 114.6 | 65% | 0.654 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.7 | -33.6 | 175.8 | -70.9 | -169.2 | -34.5 | 0 | 0 | 112.2 | N54 C55 A61 | N54-Q57 PolarHBondContact O-N 3.17Å; C55-Q57 PolarHBondContact O-N 3.3Å; Q57-A61 WeakPolarHBondContact O-CB 3.45Å; Q57-A61 PolarHBondContact O-N 2.77Å |
| 58 | S | 75.6 | Confident | 73.1 | Confident | 60 Ų | 60 | 109 Ų | 109 | 42% | 0.42 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -72 | -35.1 | 174.9 | 58.4 | 0 | 0 | 0 | 0 | 112.8 | N54 C55 A61 L62 | N54-S58 PolarHBondContact O-N 3.4Å; N54-S58 PolarHBondContact O-OG 3.42Å; N54-S58 VanDerWaalsContact O-OG 3.1Å; C55-S58 WeakPolarHBondContact CA-OG 3.36Å; C55-S58 PolarHBondContact O-N 3.47Å; C55-S58 VanDerWaalsContact O-N 3.13Å; C55-S58 PolarHBondContact O-OG 2.98Å; S58-A61 PolarHBondContact O-N 3.47Å; S58-L62 WeakPolarHBondContact O-CG 3.45Å; S58-L62 PolarHBondContact O-N 2.96Å |
| 59 | E | 78.1 | Confident | 74.7 | Confident | 115 Ų | 115 | 106.3 Ų | 106.3 | 54% | 0.537 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.1 | -47.4 | 178.4 | -169.4 | 166.9 | -165.8 | 0 | 0 | 111.1 | C55 A56 A61 L62 D63 | C55-E59 WeakPolarHBondContact O-CB 3.36Å; C55-E59 PolarHBondContact O-N 3.39Å; A56-E59 PolarHBondContact O-N 3.35Å; E59-A61 PolarHBondContact O-N 3.46Å; E59-L62 WeakPolarHBondContact O-CB 3.38Å; E59-L62 PolarHBondContact O-N 2.82Å; E59-D63 PolarHBondContact O-N 2.86Å |
| 60 | Q | 83.3 | Confident | 76.4 | Confident | 143 Ų | 143 | 102.5 Ų | 102.5 | 67% | 0.668 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.4 | -34.4 | 174.3 | -167.8 | -179.3 | 10.5 | 0 | 0 | 112.8 | A56 A64 | A56-Q60 PolarHBondContact O-N 2.73Å; A56-Q60 VanDerWaalsContact O-N 3.14Å; Q60-A64 WeakPolarHBondContact O-CB 3.34Å; Q60-A64 PolarHBondContact O-N 3.23Å |
| 61 | A | 84.8 | Confident | 78.3 | Confident | 58 Ų | 58 | 101.7 Ų | 101.7 | 48% | 0.479 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -70.5 | -35.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q57 S58 E59 Y65 | Q57-A61 WeakPolarHBondContact O-CB 3.45Å; Q57-A61 PolarHBondContact O-N 2.77Å; S58-A61 PolarHBondContact O-N 3.47Å; E59-A61 PolarHBondContact O-N 3.46Å; A61-Y65 WeakPolarHBondContact O-CB 3.37Å; A61-Y65 PolarHBondContact O-N 2.93Å |
| 62 | L | 88 | Confident | 80.1 | Confident | 116 Ų | 116 | 102.4 Ų | 102.4 | 61% | 0.607 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.7 | -43.7 | 173.3 | -70.9 | 171.7 | 0 | 0 | 0 | 110.9 | S58 E59 A64 Y65 E66 | S58-L62 WeakPolarHBondContact O-CG 3.45Å; S58-L62 PolarHBondContact O-N 2.96Å; E59-L62 WeakPolarHBondContact O-CB 3.38Å; E59-L62 PolarHBondContact O-N 2.82Å; L62-A64 VanDerWaalsContact C-N 3.34Å; L62-A64 PolarHBondContact O-N 2.85Å; L62-Y65 PolarHBondContact O-N 3.27Å; L62-E66 WeakPolarHBondContact O-CB 3.34Å; L62-E66 PolarHBondContact O-N 3.49Å |
| 63 | D | 91 | Very high | 81.9 | Confident | 69 Ų | 69 | 98 Ų | 98 | 37% | 0.369 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 176.6 | -68.6 | -12 | 0 | 0 | 0 | 112.4 | E59 E66 R67 | E59-D63 PolarHBondContact O-N 2.86Å; D63-E66 PolarHBondContact O-N 2.93Å; D63-R67 PolarHBondContact O-N 3.28Å; D63-R67 PolarHBondContact O-NH1 2.94Å |
| 64 | A | 90.5 | Very high | 83.5 | Confident | 54 Ų | 54 | 100.6 Ų | 100.6 | 45% | 0.446 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q60 L62 R67 A68 | Q60-A64 WeakPolarHBondContact O-CB 3.34Å; Q60-A64 PolarHBondContact O-N 3.23Å; L62-A64 VanDerWaalsContact C-N 3.34Å; L62-A64 PolarHBondContact O-N 2.85Å; A64-R67 PolarHBondContact O-N 3.48Å; A64-A68 WeakPolarHBondContact O-CB 3.38Å; A64-A68 PolarHBondContact O-N 2.89Å |
| 65 | Y | 91.6 | Very high | 84.9 | Confident | 161 Ų | 161 | 103.8 Ų | 103.8 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.4 | -41.5 | 175.9 | 179.2 | -107.2 | 0 | 0 | 0 | 112 | A61 L62 A68 L69 | A61-Y65 WeakPolarHBondContact O-CB 3.37Å; A61-Y65 PolarHBondContact O-N 2.93Å; L62-Y65 PolarHBondContact O-N 3.27Å; Y65-A68 WeakPolarHBondContact O-CB 3.32Å; Y65-A68 PolarHBondContact O-N 2.92Å; Y65-L69 PolarHBondContact O-N 3.43Å |
| 66 | E | 92.6 | Very high | 86.3 | Confident | 89 Ų | 89 | 103.5 Ų | 103.5 | 42% | 0.416 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 178.3 | -159.7 | -162.3 | -167.5 | 0 | 0 | 111.8 | L62 D63 L69 R70 | L62-E66 WeakPolarHBondContact O-CB 3.34Å; L62-E66 PolarHBondContact O-N 3.49Å; D63-E66 PolarHBondContact O-N 2.93Å; E66-L69 PolarHBondContact O-N 3.27Å; E66-R70 VanDerWaalsContact CD-CZ 3.43Å; E66-R70 WeakPolarHBondContact O-CG 3.49Å; E66-R70 PolarHBondContact O-N 3.2Å; E66-R70 IonicContact OE1-CZ 3.6Å; E66-R70 IonicContact OE1-NH1 3.34Å; E66-R70 PolarHBondContact OE1-NH1 3.09Å; E66-R70 IonicContact OE1-NH2 2.9Å; E66-R70 PolarHBondContact OE1-NH2 3.41Å; E66-R70 IonicContact OE2-CZ 3.45Å; E66-R70 IonicContact OE2-NH1 3.5Å; E66-R70 PolarHBondContact OE2-NH1 2.92Å; E66-R70 IonicContact OE2-NH2 3.45Å; E66-R70 PolarHBondContact OE2-NH2 2.85Å |
| 67 | R | 92 | Very high | 87.4 | Confident | 157 Ų | 157 | 104.3 Ų | 104.3 | 59% | 0.592 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.8 | -45.8 | 170.8 | -79.5 | -168.2 | -156.9 | 83.8 | -2 | 111.6 | D63 A64 L69 R70 T71 | D63-R67 PolarHBondContact O-N 3.28Å; D63-R67 PolarHBondContact O-NH1 2.94Å; A64-R67 PolarHBondContact O-N 3.48Å; R67-L69 VanDerWaalsContact C-N 3.3Å; R67-L69 PolarHBondContact O-N 3.27Å; R67-R70 PolarHBondContact O-N 3.49Å; R67-T71 WeakPolarHBondContact O-CG2 3.46Å; R67-T71 PolarHBondContact O-N 3.01Å; R67-T71 PolarHBondContact O-OG1 3.34Å |
| 68 | A | 92.7 | Very high | 88.3 | Confident | 49 Ų | 49 | 103.7 Ų | 103.7 | 41% | 0.405 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.4 | -43.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A64 Y65 R70 T71 E72 | A64-A68 WeakPolarHBondContact O-CB 3.38Å; A64-A68 PolarHBondContact O-N 2.89Å; Y65-A68 WeakPolarHBondContact O-CB 3.32Å; Y65-A68 PolarHBondContact O-N 2.92Å; A68-R70 PolarHBondContact O-N 3.17Å; A68-T71 WeakPolarHBondContact CA-OG1 3.41Å; A68-T71 PolarHBondContact O-N 3.24Å; A68-T71 PolarHBondContact O-OG1 3.15Å; A68-E72 WeakPolarHBondContact O-CB 3.35Å; A68-E72 PolarHBondContact O-N 2.87Å |
| 69 | L | 92.1 | Very high | 88.5 | Confident | 91 Ų | 91 | 105.7 Ų | 105.7 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 177.4 | -166.9 | 69.6 | 0 | 0 | 0 | 112.1 | Y65 E66 R67 E72 A73 | Y65-L69 PolarHBondContact O-N 3.43Å; E66-L69 PolarHBondContact O-N 3.27Å; R67-L69 VanDerWaalsContact C-N 3.3Å; R67-L69 PolarHBondContact O-N 3.27Å; L69-E72 PolarHBondContact O-N 3.45Å; L69-A73 WeakPolarHBondContact O-CB 3.34Å; L69-A73 PolarHBondContact O-N 2.94Å |
| 70 | R | 92.1 | Very high | 88.5 | Confident | 134 Ų | 134 | 105.7 Ų | 105.7 | 51% | 0.506 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 174.6 | -71.5 | -172.4 | -176.6 | 97.7 | 0.6 | 112 | E66 R67 A68 A73 K74 | E66-R70 VanDerWaalsContact CD-CZ 3.43Å; E66-R70 WeakPolarHBondContact O-CG 3.49Å; E66-R70 PolarHBondContact O-N 3.2Å; E66-R70 IonicContact OE1-CZ 3.6Å; E66-R70 IonicContact OE1-NH1 3.34Å; E66-R70 PolarHBondContact OE1-NH1 3.09Å; E66-R70 IonicContact OE1-NH2 2.9Å; E66-R70 PolarHBondContact OE1-NH2 3.41Å; E66-R70 IonicContact OE2-CZ 3.45Å; E66-R70 IonicContact OE2-NH1 3.5Å; E66-R70 PolarHBondContact OE2-NH1 2.92Å; E66-R70 IonicContact OE2-NH2 3.45Å; E66-R70 PolarHBondContact OE2-NH2 2.85Å; R67-R70 PolarHBondContact O-N 3.49Å; A68-R70 PolarHBondContact O-N 3.17Å; R70-A73 PolarHBondContact O-N 3.05Å; R70-K74 WeakPolarHBondContact O-CG 3.44Å; R70-K74 PolarHBondContact O-N 2.83Å |
| 71 | T | 91.2 | Very high | 87.7 | Confident | 90 Ų | 90 | 103 Ų | 103 | 55% | 0.552 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.8 | -38.3 | 177.8 | 54.8 | 0 | 0 | 0 | 0 | 112.4 | R67 A68 K74 R75 | R67-T71 WeakPolarHBondContact O-CG2 3.46Å; R67-T71 PolarHBondContact O-N 3.01Å; R67-T71 PolarHBondContact O-OG1 3.34Å; A68-T71 WeakPolarHBondContact CA-OG1 3.41Å; A68-T71 PolarHBondContact O-N 3.24Å; A68-T71 PolarHBondContact O-OG1 3.15Å; T71-K74 PolarHBondContact O-N 3.3Å; T71-R75 WeakPolarHBondContact O-CB 3.44Å; T71-R75 PolarHBondContact O-N 2.83Å |
| 72 | E | 91.6 | Very high | 86.6 | Confident | 131 Ų | 131 | 104.6 Ų | 104.6 | 61% | 0.612 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.2 | -41.5 | 175.8 | -175.4 | 171.8 | -159.1 | 0 | 0 | 111.2 | A68 L69 R75 S76 | A68-E72 WeakPolarHBondContact O-CB 3.35Å; A68-E72 PolarHBondContact O-N 2.87Å; L69-E72 PolarHBondContact O-N 3.45Å; E72-R75 PolarHBondContact O-N 2.97Å; E72-S76 WeakPolarHBondContact O-CB 3.47Å; E72-S76 PolarHBondContact O-N 3.43Å |
| 73 | A | 90.3 | Very high | 85.4 | Confident | 51 Ų | 51 | 105.6 Ų | 105.6 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L69 R70 R75 S76 V77 | L69-A73 WeakPolarHBondContact O-CB 3.34Å; L69-A73 PolarHBondContact O-N 2.94Å; R70-A73 PolarHBondContact O-N 3.05Å; A73-R75 PolarHBondContact O-N 3.15Å; A73-S76 PolarHBondContact O-N 3.45Å; A73-S76 VanDerWaalsContact O-N 3.15Å; A73-S76 PolarHBondContact O-OG 3.36Å; A73-V77 WeakPolarHBondContact O-CG2 3.46Å; A73-V77 PolarHBondContact O-N 3.48Å |
| 74 | K | 92.6 | Very high | 83.8 | Confident | 161 Ų | 161 | 108 Ų | 108 | 70% | 0.7 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -57.4 | -47.4 | 174.1 | -76.3 | -176 | 176.3 | -171.2 | 0 | 111.9 | R70 T71 S76 V77 E78 | R70-K74 WeakPolarHBondContact O-CG 3.44Å; R70-K74 PolarHBondContact O-N 2.83Å; T71-K74 PolarHBondContact O-N 3.3Å; K74-S76 VanDerWaalsContact C-N 3.28Å; K74-S76 PolarHBondContact O-N 3.25Å; K74-V77 PolarHBondContact O-N 3.28Å; K74-E78 PolarHBondContact O-N 3.3Å |
| 75 | R | 89.3 | Confident | 82.4 | Confident | 172 Ų | 172 | 111.8 Ų | 111.8 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.3 | -38.8 | 176.4 | -171.7 | -173.4 | 179.4 | 109.3 | 2.6 | 111.8 | T71 E72 A73 E78 L79 | T71-R75 WeakPolarHBondContact O-CB 3.44Å; T71-R75 PolarHBondContact O-N 2.83Å; E72-R75 PolarHBondContact O-N 2.97Å; A73-R75 PolarHBondContact O-N 3.15Å; R75-E78 PolarHBondContact O-N 3.41Å; R75-L79 HydrophobicContact CG-CD1 4.22Å; R75-L79 WeakPolarHBondContact O-CB 3.38Å; R75-L79 VanDerWaalsContact O-CG 3.25Å; R75-L79 WeakPolarHBondContact O-CG 3.36Å; R75-L79 PolarHBondContact O-N 2.89Å |
| 76 | S | 87.5 | Confident | 80.8 | Confident | 56 Ų | 56 | 106.1 Ų | 106.1 | 39% | 0.392 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.1 | -38.2 | 178.3 | 76.2 | 0 | 0 | 0 | 0 | 112.5 | E72 A73 K74 L79 L80 | E72-S76 WeakPolarHBondContact O-CB 3.47Å; E72-S76 PolarHBondContact O-N 3.43Å; A73-S76 PolarHBondContact O-N 3.45Å; A73-S76 VanDerWaalsContact O-N 3.15Å; A73-S76 PolarHBondContact O-OG 3.36Å; K74-S76 VanDerWaalsContact C-N 3.28Å; K74-S76 PolarHBondContact O-N 3.25Å; S76-L79 PolarHBondContact O-N 3.19Å; S76-L80 WeakPolarHBondContact O-CB 3.42Å; S76-L80 VanDerWaalsContact O-CG 3.25Å; S76-L80 WeakPolarHBondContact O-CG 3.4Å; S76-L80 PolarHBondContact O-N 3.09Å |
| 77 | V | 83.8 | Confident | 79 | Confident | 94 Ų | 94 | 105.8 Ų | 105.8 | 57% | 0.57 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.1 | -43.2 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | A73 K74 L80 S81 | A73-V77 WeakPolarHBondContact O-CG2 3.46Å; A73-V77 PolarHBondContact O-N 3.48Å; K74-V77 PolarHBondContact O-N 3.28Å; V77-L80 CarbonylContact O-C 3.57Å; V77-L80 WeakPolarHBondContact O-CB 3.5Å; V77-L80 PolarHBondContact O-N 2.91Å; V77-L80 VanDerWaalsContact O-N 3.16Å; V77-S81 PolarHBondContact O-N 3.18Å; V77-S81 PolarHBondContact O-OG 3.13Å |
| 78 | E | 83.5 | Confident | 77.3 | Confident | 126 Ų | 126 | 101.6 Ų | 101.6 | 59% | 0.589 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.4 | -38 | 176.2 | -171 | 179.3 | -177.4 | 0 | 0 | 112.4 | K74 R75 L80 S81 T82 | K74-E78 PolarHBondContact O-N 3.3Å; R75-E78 PolarHBondContact O-N 3.41Å; E78-L80 VanDerWaalsContact C-N 3.31Å; E78-L80 PolarHBondContact O-N 3.46Å; E78-S81 WeakPolarHBondContact CA-OG 3.25Å; E78-S81 PolarHBondContact O-N 3.43Å; E78-S81 PolarHBondContact O-OG 3.45Å; E78-T82 WeakPolarHBondContact O-CB 3.49Å; E78-T82 VanDerWaalsContact O-CG2 3.3Å; E78-T82 WeakPolarHBondContact O-CG2 3.49Å; E78-T82 PolarHBondContact O-N 2.68Å; E78-T82 PolarHBondContact O-OG1 2.99Å |
| 79 | L | 81 | Confident | 75.5 | Confident | 103 Ų | 103 | 103.7 Ų | 103.7 | 54% | 0.539 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.6 | -34.1 | 172 | -73.9 | 171.3 | 0 | 0 | 0 | 112.2 | R75 S76 T82 R83 | R75-L79 HydrophobicContact CG-CD1 4.22Å; R75-L79 WeakPolarHBondContact O-CB 3.38Å; R75-L79 VanDerWaalsContact O-CG 3.25Å; R75-L79 WeakPolarHBondContact O-CG 3.36Å; R75-L79 PolarHBondContact O-N 2.89Å; S76-L79 PolarHBondContact O-N 3.19Å; L79-T82 WeakPolarHBondContact CA-OG1 3.48Å; L79-T82 PolarHBondContact O-OG1 2.91Å; L79-R83 WeakPolarHBondContact O-CB 3.25Å; L79-R83 PolarHBondContact O-N 3.34Å; L79-R83 VanDerWaalsContact O-N 3.15Å |
| 80 | L | 76.1 | Confident | 73.5 | Confident | 115 Ų | 115 | 102 Ų | 102 | 60% | 0.602 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -73.9 | -31.6 | 174.6 | -72.5 | 170.4 | 0 | 0 | 0 | 112.4 | S76 V77 E78 | S76-L80 WeakPolarHBondContact O-CB 3.42Å; S76-L80 VanDerWaalsContact O-CG 3.25Å; S76-L80 WeakPolarHBondContact O-CG 3.4Å; S76-L80 PolarHBondContact O-N 3.09Å; V77-L80 CarbonylContact O-C 3.57Å; V77-L80 WeakPolarHBondContact O-CB 3.5Å; V77-L80 PolarHBondContact O-N 2.91Å; V77-L80 VanDerWaalsContact O-N 3.16Å; E78-L80 VanDerWaalsContact C-N 3.31Å; E78-L80 PolarHBondContact O-N 3.46Å |
| 81 | S | 66.8 | Low | 71.6 | Confident | 87 Ų | 87 | 99.3 Ų | 99.3 | 61% | 0.608 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -77.7 | -36.8 | 176.5 | 68.2 | 0 | 0 | 0 | 0 | 112.5 | V77 E78 R83 | V77-S81 PolarHBondContact O-N 3.18Å; V77-S81 PolarHBondContact O-OG 3.13Å; E78-S81 WeakPolarHBondContact CA-OG 3.25Å; E78-S81 PolarHBondContact O-N 3.43Å; E78-S81 PolarHBondContact O-OG 3.45Å; S81-R83 VanDerWaalsContact C-N 3.26Å; S81-R83 PolarHBondContact O-N 3.45Å |
| 82 | T | 61.6 | Low | 70 | Confident | 90 Ų | 90 | 104.2 Ų | 104.2 | 55% | 0.552 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.5 | -18.7 | 174.1 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | E78 L79 T84 | E78-T82 WeakPolarHBondContact O-CB 3.49Å; E78-T82 VanDerWaalsContact O-CG2 3.3Å; E78-T82 WeakPolarHBondContact O-CG2 3.49Å; E78-T82 PolarHBondContact O-N 2.68Å; E78-T82 PolarHBondContact O-OG1 2.99Å; L79-T82 WeakPolarHBondContact CA-OG1 3.48Å; L79-T82 PolarHBondContact O-OG1 2.91Å; T82-T84 VanDerWaalsContact C-N 3.26Å; T82-T84 PolarHBondContact O-N 3.04Å |
| 83 | R | 63.5 | Low | 68.7 | Low | 138 Ų | 138 | 101.4 Ų | 101.4 | 52% | 0.521 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -68.2 | 90 | 166.4 | -178.3 | 172.5 | 136.6 | 102.5 | -5.6 | 108.2 | L79 S81 L85 | L79-R83 WeakPolarHBondContact O-CB 3.25Å; L79-R83 PolarHBondContact O-N 3.34Å; L79-R83 VanDerWaalsContact O-N 3.15Å; S81-R83 VanDerWaalsContact C-N 3.26Å; S81-R83 PolarHBondContact O-N 3.45Å; R83-L85 PolarHBondContact O-N 3.21Å |
| 84 | T | 58.2 | Low | 67.8 | Low | 118 Ų | 118 | 102 Ų | 102 | 72% | 0.724 | 60% | 0.596 | S | S | * | * | trans | -38.6 | 101 | 177.9 | -44.5 | 0 | 0 | 0 | 0 | 110.4 | T82 | T82-T84 VanDerWaalsContact C-N 3.26Å; T82-T84 PolarHBondContact O-N 3.04Å | ||
| 85 | L | 61.1 | Low | 67 | Low | 135 Ų | 135 | 100.7 Ų | 100.7 | 71% | 0.707 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 137 | 163.4 | -66.9 | 176.4 | 0 | 0 | 0 | 106 | R83 S87 | R83-L85 PolarHBondContact O-N 3.21Å; L85-S87 PolarHBondContact O-N 2.95Å |
| 86 | P | 56.9 | Low | 66.2 | Low | 41 Ų | 41 | 97.5 Ų | 97.5 | 27% | 0.266 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -51.3 | 121.6 | 164.8 | -18.8 | 31.2 | 0 | 0 | 0 | 106 | F97 T100 | P86-F97 HydrophobicContact CB-CD2 3.58Å; P86-F97 HydrophobicContact CB-CE2 4.08Å; P86-F97 WeakPolarHBondContact O-CD2 3.38Å; P86-F97 WeakPolarHBondContact O-CE2 3.37Å; P86-T100 HydrophobicContact CG-CG2 3.93Å |
| 87 | S | 54.9 | Low | 65.8 | Low | 83 Ų | 83 | 96.2 Ų | 96.2 | 58% | 0.58 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 121.9 | 177.5 | -177.9 | 0 | 0 | 0 | 0 | 108 | L85 A89 G90 | L85-S87 PolarHBondContact O-N 2.95Å; S87-A89 PolarHBondContact O-N 3.42Å; S87-A89 PolarHBondContact OG-N 2.92Å; S87-G90 PolarHBondContact O-N 3.35Å |
| 88 | A | 55.7 | Low | 65.5 | Low | 69 Ų | 69 | 99.4 Ų | 99.4 | 57% | 0.57 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -19 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | G90 F97 | A88-G90 VanDerWaalsContact C-N 3.28Å; A88-G90 PolarHBondContact O-N 3.07Å; A88-F97 HydrophobicContact CB-CD1 4.22Å; A88-F97 HydrophobicContact CB-CD2 3.96Å; A88-F97 HydrophobicContact CB-CE1 4Å; A88-F97 HydrophobicContact CB-CE2 3.73Å; A88-F97 HydrophobicContact CB-CG 4.23Å; A88-F97 HydrophobicContact CB-CZ 3.77Å |
| 89 | A | 56.5 | Low | 65.4 | Low | 92 Ų | 92 | 99.1 Ų | 99.1 | 76% | 0.76 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -4.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S87 G91 | S87-A89 PolarHBondContact O-N 3.42Å; S87-A89 PolarHBondContact OG-N 2.92Å; A89-G91 VanDerWaalsContact C-N 3.31Å; A89-G91 PolarHBondContact O-N 3.11Å; A89-G91 VanDerWaalsContact O-N 3.08Å |
| 90 | G | 50.1 | Low | 65.1 | Low | 56 Ų | 56 | 96.2 Ų | 96.2 | 58% | 0.577 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -83.8 | 66.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S87 A88 Q92 | S87-G90 PolarHBondContact O-N 3.35Å; A88-G90 VanDerWaalsContact C-N 3.28Å; A88-G90 PolarHBondContact O-N 3.07Å; G90-Q92 VanDerWaalsContact C-N 3.29Å; G90-Q92 PolarHBondContact O-N 2.91Å |
| 91 | G | 50.6 | Low | 65.1 | Low | 77 Ų | 77 | 93.3 Ų | 93.3 | 79% | 0.794 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 20.6 | -6.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 126.4 | A89 | A89-G91 VanDerWaalsContact C-N 3.31Å; A89-G91 PolarHBondContact O-N 3.11Å; A89-G91 VanDerWaalsContact O-N 3.08Å |
| 92 | Q | 58.1 | Low | 65.4 | Low | 194 Ų | 194 | 91.6 Ų | 91.6 | 91% | 0.907 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.1 | -10.1 | -174.2 | -73.4 | -155.4 | -37.4 | 0 | 0 | 117.7 | G90 | G90-Q92 VanDerWaalsContact C-N 3.29Å; G90-Q92 PolarHBondContact O-N 2.91Å |
| 93 | N | 65.5 | Low | 66 | Low | 72 Ų | 72 | 94.9 Ų | 94.9 | 39% | 0.385 | 53% | 0.53 | S | S | . | . | trans | -156.2 | 73.4 | 175.6 | -156.2 | -25.6 | 0 | 0 | 0 | 114.5 | K95 E96 F97 | N93-K95 PolarHBondContact O-N 3.43Å; N93-K95 WeakPolarHBondContact OD1-CB 3.38Å; N93-K95 PolarHBondContact OD1-N 3.06Å; N93-E96 HydrophobicContact CB-CB 4.18Å; N93-E96 VanDerWaalsContact ND2-CG 3.29Å; N93-E96 WeakPolarHBondContact ND2-CG 3.41Å; N93-E96 PolarHBondContact ND2-OE1 3.5Å; N93-E96 PolarHBondContact O-N 3.38Å; N93-E96 PolarHBondContact OD1-N 3.39Å; N93-F97 PolarHBondContact O-N 3.05Å; N93-F97 VanDerWaalsContact O-N 3.13Å | ||
| 94 | A | 69.9 | Low | 66.2 | Low | 63 Ų | 63 | 94.4 Ų | 94.4 | 52% | 0.521 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.5 | -28.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F97 W98 | A94-F97 WeakPolarHBondContact O-CB 3.3Å; A94-F97 PolarHBondContact O-N 3.42Å; A94-W98 PolarHBondContact O-N 2.99Å |
| 95 | K | 76.2 | Confident | 66.6 | Low | 134 Ų | 134 | 93.5 Ų | 93.5 | 58% | 0.583 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.9 | -39.4 | 178.5 | -166.3 | 177.2 | -171 | 176.3 | 0 | 111.9 | N93 R99 | N93-K95 PolarHBondContact O-N 3.43Å; N93-K95 WeakPolarHBondContact OD1-CB 3.38Å; N93-K95 PolarHBondContact OD1-N 3.06Å; K95-R99 VanDerWaalsContact CE-NH2 3.35Å; K95-R99 WeakPolarHBondContact O-CB 3.47Å; K95-R99 VanDerWaalsContact O-CG 3.3Å; K95-R99 WeakPolarHBondContact O-CG 3.48Å; K95-R99 PolarHBondContact O-N 3.44Å |
| 96 | E | 74.1 | Confident | 66.5 | Low | 104 Ų | 104 | 91.7 Ų | 91.7 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -75.6 | -31.1 | 175 | -76.6 | -167.8 | -161.5 | 0 | 0 | 113.5 | N93 R99 T100 | N93-E96 HydrophobicContact CB-CB 4.18Å; N93-E96 VanDerWaalsContact ND2-CG 3.29Å; N93-E96 WeakPolarHBondContact ND2-CG 3.41Å; N93-E96 PolarHBondContact ND2-OE1 3.5Å; N93-E96 PolarHBondContact O-N 3.38Å; N93-E96 PolarHBondContact OD1-N 3.39Å; E96-R99 PolarHBondContact O-N 3.34Å; E96-T100 VanDerWaalsContact O-CB 3.3Å; E96-T100 WeakPolarHBondContact O-CB 3.23Å; E96-T100 PolarHBondContact O-N 2.69Å; E96-T100 PolarHBondContact O-OG1 3.27Å |
| 97 | F | 77.5 | Confident | 66.6 | Low | 30 Ų | 30 | 96.8 Ų | 96.8 | 13% | 0.132 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -54.4 | -55.5 | 167 | 164.7 | -90.3 | 0 | 0 | 0 | 110.3 | P86 A88 N93 A94 R99 T100 L101 | P86-F97 HydrophobicContact CB-CD2 3.58Å; P86-F97 HydrophobicContact CB-CE2 4.08Å; P86-F97 WeakPolarHBondContact O-CD2 3.38Å; P86-F97 WeakPolarHBondContact O-CE2 3.37Å; A88-F97 HydrophobicContact CB-CD1 4.22Å; A88-F97 HydrophobicContact CB-CD2 3.96Å; A88-F97 HydrophobicContact CB-CE1 4Å; A88-F97 HydrophobicContact CB-CE2 3.73Å; A88-F97 HydrophobicContact CB-CG 4.23Å; A88-F97 HydrophobicContact CB-CZ 3.77Å; N93-F97 PolarHBondContact O-N 3.05Å; N93-F97 VanDerWaalsContact O-N 3.13Å; A94-F97 WeakPolarHBondContact O-CB 3.3Å; A94-F97 PolarHBondContact O-N 3.42Å; F97-R99 PolarHBondContact O-N 3.19Å; F97-T100 PolarHBondContact O-N 3.48Å; F97-L101 HydrophobicContact CE1-CD1 3.97Å; F97-L101 HydrophobicContact CE2-CD1 4.15Å; F97-L101 HydrophobicContact CZ-CD1 3.53Å; F97-L101 WeakPolarHBondContact O-CB 3.34Å; F97-L101 PolarHBondContact O-N 3.15Å |
| 98 | W | 78.2 | Confident | 66.8 | Low | 161 Ų | 161 | 96.9 Ų | 96.9 | 61% | 0.61 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.9 | -37.4 | -179.4 | -71.4 | 117.5 | 0 | 0 | 0 | 113.3 | A94 T100 L101 A102 | A94-W98 PolarHBondContact O-N 2.99Å; W98-T100 VanDerWaalsContact C-N 3.34Å; W98-T100 PolarHBondContact O-N 3.29Å; W98-L101 HydrophobicContact CE3-CD1 4.39Å; W98-L101 HydrophobicContact CE3-CD2 4.34Å; W98-L101 HydrophobicContact CZ3-CD1 4.21Å; W98-L101 HydrophobicContact CZ3-CD2 4.27Å; W98-L101 PolarHBondContact O-N 3.32Å; W98-A102 VanDerWaalsContact O-CB 3.23Å; W98-A102 WeakPolarHBondContact O-CB 3.05Å; W98-A102 PolarHBondContact O-N 2.85Å |
| 99 | R | 81.3 | Confident | 66.9 | Low | 120 Ų | 120 | 95.9 Ų | 95.9 | 45% | 0.453 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 174.4 | -78.7 | 173.8 | 174.5 | 153.1 | -10.5 | 112.5 | K95 E96 F97 R103 | K95-R99 VanDerWaalsContact CE-NH2 3.35Å; K95-R99 WeakPolarHBondContact O-CB 3.47Å; K95-R99 VanDerWaalsContact O-CG 3.3Å; K95-R99 WeakPolarHBondContact O-CG 3.48Å; K95-R99 PolarHBondContact O-N 3.44Å; E96-R99 PolarHBondContact O-N 3.34Å; F97-R99 PolarHBondContact O-N 3.19Å; R99-R103 WeakPolarHBondContact O-CG 3.36Å; R99-R103 PolarHBondContact O-N 3.16Å; R99-R103 VanDerWaalsContact O-N 3.11Å; R99-R103 PolarHBondContact O-NE 3.21Å; R99-R103 VanDerWaalsContact O-NE 3.16Å |
| 100 | T | 75.3 | Confident | 67.1 | Low | 42 Ų | 42 | 101 Ų | 101 | 26% | 0.258 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73.2 | -39.7 | 179 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | P86 E96 F97 W98 R104 | P86-T100 HydrophobicContact CG-CG2 3.93Å; E96-T100 VanDerWaalsContact O-CB 3.3Å; E96-T100 WeakPolarHBondContact O-CB 3.23Å; E96-T100 PolarHBondContact O-N 2.69Å; E96-T100 PolarHBondContact O-OG1 3.27Å; F97-T100 PolarHBondContact O-N 3.48Å; W98-T100 VanDerWaalsContact C-N 3.34Å; W98-T100 PolarHBondContact O-N 3.29Å; T100-R104 PolarHBondContact O-N 2.8Å; T100-R104 VanDerWaalsContact O-N 3.07Å |
| 101 | L | 75.3 | Confident | 67.8 | Low | 54 Ų | 54 | 108.9 Ų | 108.9 | 28% | 0.283 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.8 | -48 | 174.5 | -163.3 | 149.7 | 0 | 0 | 0 | 111 | F97 W98 R103 R104 H105 | F97-L101 HydrophobicContact CE1-CD1 3.97Å; F97-L101 HydrophobicContact CE2-CD1 4.15Å; F97-L101 HydrophobicContact CZ-CD1 3.53Å; F97-L101 WeakPolarHBondContact O-CB 3.34Å; F97-L101 PolarHBondContact O-N 3.15Å; W98-L101 HydrophobicContact CE3-CD1 4.39Å; W98-L101 HydrophobicContact CE3-CD2 4.34Å; W98-L101 HydrophobicContact CZ3-CD1 4.21Å; W98-L101 HydrophobicContact CZ3-CD2 4.27Å; W98-L101 PolarHBondContact O-N 3.32Å; L101-R103 PolarHBondContact O-N 3.15Å; L101-R104 PolarHBondContact O-N 2.89Å; L101-H105 WeakPolarHBondContact O-CB 3.36Å; L101-H105 PolarHBondContact O-CD2 3.19Å; L101-H105 VanDerWaalsContact O-CD2 3.27Å; L101-H105 PolarHBondContact O-N 2.93Å |
| 102 | A | 73 | Confident | 68.2 | Low | 51 Ų | 51 | 107.4 Ų | 107.4 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.4 | -51.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | W98 R104 H105 C106 | W98-A102 VanDerWaalsContact O-CB 3.23Å; W98-A102 WeakPolarHBondContact O-CB 3.05Å; W98-A102 PolarHBondContact O-N 2.85Å; A102-R104 VanDerWaalsContact C-N 3.31Å; A102-R104 PolarHBondContact O-N 3.47Å; A102-H105 CarbonylContact O-C 3.55Å; A102-H105 PolarHBondContact O-N 3.5Å; A102-C106 PolarHBondContact O-N 3.12Å; A102-C106 PolarHBondContact O-SG 3.29Å |
| 103 | R | 74.6 | Confident | 68.2 | Low | 158 Ų | 158 | 104.8 Ų | 104.8 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.2 | -38.5 | 178.5 | -75.6 | 179.8 | -69.8 | -150.1 | 4.7 | 113.3 | R99 L101 H105 | R99-R103 WeakPolarHBondContact O-CG 3.36Å; R99-R103 PolarHBondContact O-N 3.16Å; R99-R103 VanDerWaalsContact O-N 3.11Å; R99-R103 PolarHBondContact O-NE 3.21Å; R99-R103 VanDerWaalsContact O-NE 3.16Å; L101-R103 PolarHBondContact O-N 3.15Å; R103-H105 VanDerWaalsContact C-N 3.33Å |
| 104 | R | 68 | Low | 68.2 | Low | 128 Ų | 128 | 108.4 Ų | 108.4 | 48% | 0.483 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.7 | -25.9 | 177.2 | -76.4 | -163 | 161.5 | 153.8 | 2.3 | 113.4 | T100 L101 A102 | T100-R104 PolarHBondContact O-N 2.8Å; T100-R104 VanDerWaalsContact O-N 3.07Å; L101-R104 PolarHBondContact O-N 2.89Å; A102-R104 VanDerWaalsContact C-N 3.31Å; A102-R104 PolarHBondContact O-N 3.47Å |
| 105 | H | 65.9 | Low | 67.9 | Low | 99 Ų | 99 | 106.7 Ų | 106.7 | 46% | 0.458 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -92.7 | -16.7 | 178.2 | -80.3 | -74.9 | 0 | 0 | 0 | 114.1 | L101 A102 R103 D107 T108 | L101-H105 WeakPolarHBondContact O-CB 3.36Å; L101-H105 PolarHBondContact O-CD2 3.19Å; L101-H105 VanDerWaalsContact O-CD2 3.27Å; L101-H105 PolarHBondContact O-N 2.93Å; A102-H105 CarbonylContact O-C 3.55Å; A102-H105 PolarHBondContact O-N 3.5Å; R103-H105 VanDerWaalsContact C-N 3.33Å; H105-D107 PolarHBondContact O-N 3.48Å; H105-T108 WeakPolarHBondContact CA-OG1 3.46Å; H105-T108 PolarHBondContact O-N 3.17Å; H105-T108 VanDerWaalsContact O-N 3.17Å; H105-T108 PolarHBondContact O-OG1 3.07Å; H105-T108 VanDerWaalsContact O-OG1 3.07Å |
| 106 | C | 58.6 | Low | 67.6 | Low | 98 Ų | 98 | 108.9 Ų | 108.9 | 66% | 0.662 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -57.3 | -34.1 | 171.5 | -70.2 | 0 | 0 | 0 | 0 | 112.2 | A102 T108 | A102-C106 PolarHBondContact O-N 3.12Å; A102-C106 PolarHBondContact O-SG 3.29Å; C106-T108 VanDerWaalsContact C-N 3.33Å; C106-T108 PolarHBondContact O-N 3.27Å |
| 107 | D | 59.2 | Low | 67.6 | Low | 147 Ų | 147 | 109.2 Ų | 109.2 | 79% | 0.786 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -12 | -178.3 | -64.8 | -21.7 | 0 | 0 | 0 | 113.7 | H105 G109 | H105-D107 PolarHBondContact O-N 3.48Å; D107-G109 VanDerWaalsContact C-N 3.34Å; D107-G109 PolarHBondContact O-N 2.83Å |
| 108 | T | 59.5 | Low | 67.3 | Low | 85 Ų | 85 | 114.7 Ų | 114.7 | 52% | 0.521 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.1 | 3.5 | -174.1 | 6.5 | 0 | 0 | 0 | 0 | 114.1 | H105 C106 R110 | H105-T108 WeakPolarHBondContact CA-OG1 3.46Å; H105-T108 PolarHBondContact O-N 3.17Å; H105-T108 VanDerWaalsContact O-N 3.17Å; H105-T108 PolarHBondContact O-OG1 3.07Å; H105-T108 VanDerWaalsContact O-OG1 3.07Å; C106-T108 VanDerWaalsContact C-N 3.33Å; C106-T108 PolarHBondContact O-N 3.27Å; T108-R110 WeakPolarHBondContact O-CB 3.3Å; T108-R110 PolarHBondContact O-N 3.27Å |
| 109 | G | 58.6 | Low | 67 | Low | 48 Ų | 48 | 113.8 Ų | 113.8 | 50% | 0.495 | 57% | 0.567 | S | S | . | * | trans | 59.9 | -10.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | D107 W111 G112 | D107-G109 VanDerWaalsContact C-N 3.34Å; D107-G109 PolarHBondContact O-N 2.83Å; G109-W111 PolarHBondContact O-N 3.06Å; G109-G112 PolarHBondContact O-N 2.99Å | ||
| 110 | R | 59.9 | Low | 66.6 | Low | 199 Ų | 199 | 115.6 Ų | 115.6 | 75% | 0.751 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -6.2 | -165.8 | -166.3 | 174.9 | -175.8 | -84.6 | 1.1 | 113.7 | T108 | T108-R110 WeakPolarHBondContact O-CB 3.3Å; T108-R110 PolarHBondContact O-N 3.27Å |
| 111 | W | 63.7 | Low | 66.6 | Low | 222 Ų | 222 | 120.6 Ų | 120.6 | 84% | 0.841 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.9 | 1.7 | -178.4 | -69.4 | 50 | 0 | 0 | 0 | 111.4 | G109 | G109-W111 PolarHBondContact O-N 3.06Š|
| 112 | G | 59.1 | Low | 66.7 | Low | 47 Ų | 47 | 126.7 Ų | 126.7 | 49% | 0.485 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -108.7 | 108.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G109 D114 | G109-G112 PolarHBondContact O-N 2.99Å; G112-D114 PolarHBondContact O-N 2.84Å |
| 113 | H | 59.9 | Low | 66.6 | Low | 138 Ų | 138 | 126.9 Ų | 126.9 | 64% | 0.639 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 77 | 7.5 | 158.8 | -109.7 | -75.5 | 0 | 0 | 0 | 120.1 | G115 | H113-G115 PolarHBondContact O-N 3.36Š|
| 114 | D | 65.2 | Low | 66.8 | Low | 148 Ų | 148 | 125.6 Ų | 125.6 | 79% | 0.791 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -75.8 | 91.7 | 173.6 | -64.5 | -26.4 | 0 | 0 | 0 | 110.7 | G112 | G112-D114 PolarHBondContact O-N 2.84Š|
| 115 | G | 62.8 | Low | 66.7 | Low | 27 Ų | 27 | 126.1 Ų | 126.1 | 28% | 0.278 | 66% | 0.655 | S | S | . | * | S | Bend | trans | 112.5 | -6.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | H113 D117 E118 L119 | H113-G115 PolarHBondContact O-N 3.36Å; G115-D117 VanDerWaalsContact C-N 3.33Å; G115-D117 PolarHBondContact O-N 2.85Å; G115-E118 WeakPolarHBondContact O-CB 3.3Å; G115-E118 PolarHBondContact O-N 3.49Å; G115-L119 WeakPolarHBondContact O-CD1 3.41Å; G115-L119 PolarHBondContact O-N 2.74Å |
| 116 | W | 70.3 | Confident | 66.9 | Low | 180 Ų | 180 | 126.9 Ų | 126.9 | 68% | 0.682 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -63.2 | -37.8 | 176.2 | -100.5 | 90.5 | 0 | 0 | 0 | 112.8 | E118 L119 Q120 | W116-E118 PolarHBondContact O-N 2.71Å; W116-L119 PolarHBondContact O-N 3.47Å; W116-Q120 PolarHBondContact O-N 3.05Å |
| 117 | D | 73.6 | Confident | 67 | Low | 112 Ų | 112 | 131.8 Ų | 131.8 | 60% | 0.599 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -68.7 | -23 | 173.9 | -70.4 | -25.7 | 0 | 0 | 0 | 112.5 | G115 | G115-D117 VanDerWaalsContact C-N 3.33Å; G115-D117 PolarHBondContact O-N 2.85Å |
| 118 | E | 72 | Confident | 66.9 | Low | 144 Ų | 144 | 134.4 Ų | 134.4 | 67% | 0.673 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -81 | -32 | 177.6 | -166.9 | 147.1 | -144 | 0 | 0 | 111.7 | G115 W116 Q120 K121 | G115-E118 WeakPolarHBondContact O-CB 3.3Å; G115-E118 PolarHBondContact O-N 3.49Å; W116-E118 PolarHBondContact O-N 2.71Å; E118-Q120 VanDerWaalsContact C-N 3.28Å; E118-Q120 PolarHBondContact O-N 3.47Å; E118-K121 PolarHBondContact O-N 3.2Å |
| 119 | L | 70.4 | Confident | 66.5 | Low | 142 Ų | 142 | 141.6 Ų | 141.6 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -69.6 | -19 | 171.9 | -85.7 | 136.6 | 0 | 0 | 0 | 114 | G115 W116 K121 | G115-L119 WeakPolarHBondContact O-CD1 3.41Å; G115-L119 PolarHBondContact O-N 2.74Å; W116-L119 PolarHBondContact O-N 3.47Å; L119-K121 VanDerWaalsContact C-N 3.35Å |
| 120 | Q | 73.5 | Confident | 65.9 | Low | 158 Ų | 158 | 144.7 Ų | 144.7 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -6.2 | 174.6 | -67 | -138.1 | -18.2 | 0 | 0 | 113.9 | W116 E118 | W116-Q120 PolarHBondContact O-N 3.05Å; E118-Q120 VanDerWaalsContact C-N 3.28Å; E118-Q120 PolarHBondContact O-N 3.47Å |
| 121 | K | 75.7 | Confident | 65.4 | Low | 148 Ų | 148 | 143.9 Ų | 143.9 | 64% | 0.643 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -85 | 121.5 | 173.3 | -63.3 | 177.1 | -174 | 174.2 | 0 | 108.2 | E118 L119 G123 | E118-K121 PolarHBondContact O-N 3.2Å; L119-K121 VanDerWaalsContact C-N 3.35Å; K121-G123 PolarHBondContact O-N 3.11Å; K121-G123 VanDerWaalsContact O-N 3.13Å |
| 122 | E | 76.8 | Confident | 64.5 | Low | 181 Ų | 181 | 138.7 Ų | 138.7 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 122.1 | 171.4 | -65.3 | -166 | -179.8 | 0 | 0 | 109 | ||
| 123 | G | 72.1 | Confident | 64 | Low | 55 Ų | 55 | 144.6 Ų | 144.6 | 57% | 0.567 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 157.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | K121 I125 | K121-G123 PolarHBondContact O-N 3.11Å; K121-G123 VanDerWaalsContact O-N 3.13Å; G123-I125 PolarHBondContact O-N 3.48Å |
| 124 | P | 77.1 | Confident | 63.4 | Low | 131 Ų | 131 | 144.8 Ų | 144.8 | 85% | 0.851 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 123.8 | -179.3 | 20.7 | -30.3 | 0 | 0 | 0 | 111.2 | P126 | P124-P126 WeakPolarHBondContact O-CD 3.47Š|
| 125 | I | 67.4 | Low | 62.5 | Low | 139 Ų | 139 | 144 Ų | 144 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 120.1 | 179.5 | -58.3 | 166.4 | 0 | 0 | 0 | 108.7 | G123 F127 | G123-I125 PolarHBondContact O-N 3.48Å; I125-F127 PolarHBondContact O-N 3.3Å |
| 126 | P | 68.7 | Low | 61.9 | Low | 115 Ų | 115 | 151.8 Ų | 151.8 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 128.1 | 174.6 | -20 | 31.5 | 0 | 0 | 0 | 110.3 | P124 | P124-P126 WeakPolarHBondContact O-CD 3.47Š|
| 127 | F | 61.4 | Low | 60.7 | Low | 202 Ų | 202 | 152.7 Ų | 152.7 | 89% | 0.886 | 78% | 0.778 | S | S | * | * | trans | -34.3 | 131.1 | -179.8 | -70.8 | -96.7 | 0 | 0 | 0 | 115 | I125 R129 | I125-F127 PolarHBondContact O-N 3.3Å; F127-R129 PolarHBondContact O-N 3.07Å | ||
| 128 | K | 57.6 | Low | 59.6 | Low | 201 Ų | 201 | 152.5 Ų | 152.5 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -65.3 | 109.6 | 168.1 | -65.9 | -161 | 177.5 | -169.6 | 0 | 109.5 | S130 | K128-S130 PolarHBondContact O-N 3.26Š| ||
| 129 | R | 50.1 | Low | 58.4 | Low | 237 Ų | 237 | 155.1 Ų | 155.1 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | trans | -74.4 | 117.3 | 161.8 | -73.1 | -168.8 | -174.9 | 106.3 | 0.3 | 108.2 | F127 | F127-R129 PolarHBondContact O-N 3.07Š| ||
| 130 | S | 47.1 | Very low | 57 | Low | 113 Ų | 113 | 153.6 Ų | 153.6 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -98.9 | 95.2 | 171.5 | 28.8 | 0 | 0 | 0 | 0 | 106.8 | K128 | K128-S130 PolarHBondContact O-N 3.26Š| ||
| 131 | E | 49 | Very low | 55.8 | Low | 181 Ų | 181 | 152.8 Ų | 152.8 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -139 | 120.2 | 165.5 | -67.7 | -174.8 | -162.3 | 0 | 0 | 108.7 | ||||
| 132 | S | 43.9 | Very low | 54.4 | Low | 113 Ų | 113 | 152 Ų | 152 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -60.5 | 127.6 | 175 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 133 | I | 49.3 | Very low | 53 | Low | 172 Ų | 172 | 149.1 Ų | 149.1 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -135.2 | 118.2 | 153.1 | -100.2 | 153.4 | 0 | 0 | 0 | 106.3 | ||||
| 134 | D | 47.1 | Very low | 51.9 | Low | 142 Ų | 142 | 151.2 Ų | 151.2 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | trans | -57.9 | 153 | 176.2 | -79.2 | -60 | 0 | 0 | 0 | 112.5 | ||||
| 135 | D | 46.2 | Very low | 50.8 | Low | 132 Ų | 132 | 153.1 Ų | 153.1 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | trans | 52.8 | 93.1 | 156.7 | -79.4 | -42.1 | 0 | 0 | 0 | 118.5 | ||||
| 136 | M | 50.5 | Low | 50.2 | Low | 189 Ų | 189 | 151.9 Ų | 151.9 | 93% | 0.931 | 81% | 0.813 | S | S | * | * | -148.7 | 105.1 | 128.5 | -87.2 | -51.8 | 136.5 | 0 | 0 | 110 | S138 | M136-S138 PolarHBondContact O-N 2.82Š| |||
| 137 | K | 44.3 | Very low | 49.8 | Very low | 200 Ų | 200 | 152.1 Ų | 152.1 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | trans | -85 | 98 | -180 | -172.5 | 178.6 | -174.4 | 176.9 | 0 | 109.7 | ||||
| 138 | S | 51.8 | Low | 49.9 | Very low | 107 Ų | 107 | 152.2 Ų | 152.2 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -170.2 | 122.7 | 153 | 43.2 | 0 | 0 | 0 | 0 | 115.1 | M136 | M136-S138 PolarHBondContact O-N 2.82Š| ||
| 139 | K | 46.7 | Very low | 50.2 | Low | 200 Ų | 200 | 150.3 Ų | 150.3 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | trans | 65.8 | 101.4 | 149.8 | -111.7 | 89.5 | 177.3 | -167.5 | 0 | 118.8 | ||||
| 140 | S | 41.1 | Very low | 51 | Low | 109 Ų | 109 | 144.8 Ų | 144.8 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -36.3 | 124.1 | 145.8 | 54.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 141 | V | 47.8 | Very low | 51.2 | Low | 142 Ų | 142 | 149.6 Ų | 149.6 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -155.6 | 112.1 | 134.1 | -175.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 142 | T | 46 | Very low | 51.5 | Low | 132 Ų | 132 | 150 Ų | 150 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -128.7 | 164.2 | 154.5 | 44.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 143 | P | 48.1 | Very low | 51.3 | Low | 120 Ų | 120 | 151.9 Ų | 151.9 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | cis | -135 | -166 | -3.5 | 24.5 | 0.8 | 0 | 0 | 0 | 112.1 | ||||
| 144 | S | 48.1 | Very low | 51.3 | Low | 98 Ų | 98 | 149.2 Ų | 149.2 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | 90.3 | 82.8 | 154.3 | -169 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 145 | I | 54.2 | Low | 51.3 | Low | 172 Ų | 172 | 147.7 Ų | 147.7 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | -118.8 | 78.5 | 157.2 | -56.3 | 171 | 0 | 0 | 0 | 107 | ||||
| 146 | T | 55.8 | Low | 51.3 | Low | 113 Ų | 113 | 148.4 Ų | 148.4 | 69% | 0.693 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -88 | 122.1 | 156.6 | 46.7 | 0 | 0 | 0 | 0 | 107.8 | K148 | T146-K148 PolarHBondContact O-N 3.42Š|
| 147 | P | 60.6 | Low | 50.9 | Low | 120 Ų | 120 | 148.6 Ų | 148.6 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 121 | 176.2 | 26.3 | -31.7 | 0 | 0 | 0 | 109.9 | L149 | P147-L149 PolarHBondContact O-N 2.91Š|
| 148 | K | 63.3 | Low | 51.1 | Low | 204 Ų | 204 | 146.8 Ų | 146.8 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 122.3 | 171.9 | -98.6 | 153.9 | 174.6 | 160.7 | 0 | 109.5 | T146 | T146-K148 PolarHBondContact O-N 3.42Š|
| 149 | L | 63.9 | Low | 50.8 | Low | 160 Ų | 160 | 150.8 Ų | 150.8 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 142.5 | 165.9 | -75.1 | 162.5 | 0 | 0 | 0 | 109.4 | P147 Y151 | P147-L149 PolarHBondContact O-N 2.91Å; L149-Y151 PolarHBondContact O-N 3.24Å |
| 150 | P | 66.6 | Low | 50.6 | Low | 122 Ų | 122 | 150.1 Ų | 150.1 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -63.5 | 111.2 | 178.5 | 25 | -31.6 | 0 | 0 | 0 | 109.7 | Q152 | P150-Q152 PolarHBondContact O-N 3.03Š| ||
| 151 | Y | 50.6 | Low | 50.8 | Low | 214 Ų | 214 | 152.8 Ų | 152.8 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -67.6 | 114.4 | 171.2 | -153.7 | -96 | 0 | 0 | 0 | 107.6 | L149 H153 | L149-Y151 PolarHBondContact O-N 3.24Å; Y151-H153 PolarHBondContact O-N 3.37Å | ||
| 152 | Q | 55.3 | Low | 50.5 | Low | 189 Ų | 189 | 153.3 Ų | 153.3 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -68.2 | 102.7 | 168.6 | -78.4 | -165.5 | -42 | 0 | 0 | 108.4 | P150 | P150-Q152 PolarHBondContact O-N 3.03Š| ||
| 153 | H | 40.6 | Very low | 50.1 | Low | 153 Ų | 153 | 151.2 Ų | 151.2 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | trans | -106.8 | 99.4 | 167.1 | -164.9 | -37.6 | 0 | 0 | 0 | 108.3 | Y151 | Y151-H153 PolarHBondContact O-N 3.37Š| ||
| 154 | T | 48.4 | Very low | 50.2 | Low | 116 Ų | 116 | 151.3 Ų | 151.3 | 71% | 0.712 | 79% | 0.785 | S | S | * | * | trans | -148.9 | 97.7 | 160.2 | 51.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 155 | V | 48.2 | Very low | 50.3 | Low | 110 Ų | 110 | 152.6 Ų | 152.6 | 67% | 0.667 | 79% | 0.789 | S | S | * | * | 79.8 | 114.6 | 108.6 | -58.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 156 | D | 45.3 | Very low | 50 | Low | 146 Ų | 146 | 154.5 Ų | 154.5 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | 136.5 | 104.2 | 129.2 | -72.3 | -28.2 | 0 | 0 | 0 | 115.5 | |||||
| 157 | K | 42.4 | Very low | 49.9 | Very low | 193 Ų | 193 | 154.6 Ų | 154.6 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -22.3 | 131.2 | 153.9 | -53.7 | 176.8 | 179.3 | -168 | 0 | 112.9 | ||||
| 158 | L | 47.9 | Very low | 49.3 | Very low | 162 Ų | 162 | 158.6 Ų | 158.6 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | 175 | 128.9 | 123.9 | -92.3 | 159.7 | 0 | 0 | 0 | 112 | |||||
| 159 | K | 45.5 | Very low | 48.9 | Very low | 191 Ų | 191 | 158 Ų | 158 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | 76.1 | 83.1 | 151.9 | -84.7 | 171.3 | 169.4 | 175.8 | 0 | 120 | ||||
| 160 | E | 42.4 | Very low | 48.3 | Very low | 187 Ų | 187 | 159.9 Ų | 159.9 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | -31.8 | 119 | 121.4 | -172.7 | 174.9 | -151.4 | 0 | 0 | 113.9 | |||||
| 161 | Q | 46.9 | Very low | 47.7 | Very low | 164 Ų | 164 | 159.6 Ų | 159.6 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -176.9 | 110.4 | 135.3 | -102.4 | -171.1 | -12.1 | 0 | 0 | 107.4 | ||||
| 162 | E | 40.1 | Very low | 47.8 | Very low | 153 Ų | 153 | 158.6 Ų | 158.6 | 72% | 0.715 | 80% | 0.797 | S | S | * | * | 87.9 | 91.3 | 107.2 | -155.2 | 171.5 | -161.5 | 0 | 0 | 109.8 | |||||
| 163 | A | 39 | Very low | 47 | Very low | 89 Ų | 89 | 157.3 Ų | 157.3 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | 60.4 | 147.4 | 93.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 164 | V | 50.2 | Low | 47.5 | Very low | 122 Ų | 122 | 159 Ų | 159 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | trans | 105.1 | 107.6 | 166 | -167.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 165 | T | 49.3 | Very low | 47.3 | Very low | 124 Ų | 124 | 161.3 Ų | 161.3 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | trans | 92.8 | 93.3 | 147.6 | 60.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 166 | K | 47.4 | Very low | 47.3 | Very low | 212 Ų | 212 | 160.2 Ų | 160.2 | 92% | 0.922 | 80% | 0.8 | S | S | * | * | trans | -36.9 | 128.6 | 139.3 | -60.4 | 172.4 | 179.3 | 172.2 | 0 | 111.4 | ||||
| 167 | S | 54.7 | Low | 47.2 | Very low | 116 Ų | 116 | 162.6 Ų | 162.6 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -132.3 | 113.4 | 151.8 | 55.7 | 0 | 0 | 0 | 0 | 110.6 | K169 | S167-K169 PolarHBondContact O-N 3.23Š| ||
| 168 | K | 46.9 | Very low | 47.2 | Very low | 203 Ų | 203 | 158.7 Ų | 158.7 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -57.7 | 121.5 | 167.2 | -78.3 | 166 | 168.7 | 167.4 | 0 | 108.6 | ||||
| 169 | K | 55.5 | Low | 47.4 | Very low | 191 Ų | 191 | 161 Ų | 161 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | trans | -119.6 | 91.9 | 156.5 | -147 | 169.1 | -173.2 | 171.5 | 0 | 109.6 | S167 T171 | S167-K169 PolarHBondContact O-N 3.23Å; K169-T171 PolarHBondContact O-N 3.23Å | ||
| 170 | K | 52.3 | Low | 47.6 | Very low | 200 Ų | 200 | 157 Ų | 157 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | trans | -67.7 | 115.9 | 158.9 | -70.2 | -160 | 173.3 | -171.4 | 0 | 107 | ||||
| 171 | T | 52.4 | Low | 48.1 | Very low | 117 Ų | 117 | 158.1 Ų | 158.1 | 72% | 0.718 | 81% | 0.805 | S | S | * | * | trans | -129 | 128 | 165 | -39.8 | 0 | 0 | 0 | 0 | 109.8 | K169 | K169-T171 PolarHBondContact O-N 3.23Š| ||
| 172 | K | 53.5 | Low | 48.4 | Very low | 192 Ų | 192 | 158.6 Ų | 158.6 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -61.1 | 144.3 | -160.7 | -66.5 | 170.8 | 174.1 | 178.6 | 0 | 114.4 | K174 | K172-K174 PolarHBondContact O-N 3.44Š| ||
| 173 | H | 39.3 | Very low | 48.9 | Very low | 163 Ų | 163 | 160 Ų | 160 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -33 | 128.4 | 156.5 | -77.8 | -101 | 0 | 0 | 0 | 113.4 | ||||
| 174 | K | 51.1 | Low | 49.4 | Very low | 189 Ų | 189 | 163.3 Ų | 163.3 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -127.9 | 79.1 | 150.1 | -72.2 | -69.7 | -177.3 | 175.1 | 0 | 108.6 | K172 S176 | K172-K174 PolarHBondContact O-N 3.44Å; K174-S176 PolarHBondContact O-N 3.16Å | ||
| 175 | L | 42.6 | Very low | 49.5 | Very low | 163 Ų | 163 | 161 Ų | 161 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -75.5 | 92.9 | 156.2 | -78 | 159.5 | 0 | 0 | 0 | 107.2 | ||||
| 176 | S | 49.3 | Very low | 49.7 | Very low | 88 Ų | 88 | 163.9 Ų | 163.9 | 62% | 0.615 | 81% | 0.806 | S | S | * | * | trans | -153.1 | 114.6 | 166.9 | 56 | 0 | 0 | 0 | 0 | 104.7 | K174 | K174-S176 PolarHBondContact O-N 3.16Š| ||
| 177 | E | 43.7 | Very low | 50.1 | Low | 196 Ų | 196 | 161.3 Ų | 161.3 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | -142.1 | 115.9 | 57.8 | -80.7 | 168.9 | 115.2 | 0 | 0 | 111.8 | |||||
| 178 | S | 41 | Very low | 50.1 | Low | 111 Ų | 111 | 165.5 Ų | 165.5 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -83.2 | 152.5 | 152 | -71.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 179 | K | 52.5 | Low | 50.6 | Low | 210 Ų | 210 | 164 Ų | 164 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | trans | 98 | 66 | 164.1 | -52.8 | 175.6 | -179.8 | 172.6 | 0 | 117.4 | ||||
| 180 | S | 49.1 | Very low | 50.4 | Low | 106 Ų | 106 | 158.1 Ų | 158.1 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -134.1 | -26.3 | 157.8 | 178.5 | 0 | 0 | 0 | 0 | 115.4 | Q182 | S180-Q182 PolarHBondContact O-N 3.46Š|
| 181 | K | 53 | Low | 50.6 | Low | 212 Ų | 212 | 156.4 Ų | 156.4 | 92% | 0.922 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 9.3 | -173.1 | -66.8 | -171.8 | 177 | 177.5 | 0 | 117.1 | ||
| 182 | Q | 52.7 | Low | 50.7 | Low | 174 Ų | 174 | 157 Ų | 157 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 6.7 | -175 | -148.4 | 176.5 | -3.9 | 0 | 0 | 115.8 | S180 | S180-Q182 PolarHBondContact O-N 3.46Š|
| 183 | K | 52.1 | Low | 50.8 | Low | 183 Ų | 183 | 156.2 Ų | 156.2 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -95.4 | -13.2 | 179.7 | -84.9 | -173.1 | 176.1 | 178.4 | 0 | 116.2 | ||
| 184 | H | 48.2 | Very low | 51.6 | Low | 157 Ų | 157 | 156.4 Ų | 156.4 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -94.2 | -18.2 | 179.1 | -70.5 | -82 | 0 | 0 | 0 | 114.8 | ||
| 185 | A | 53.1 | Low | 51.8 | Low | 73 Ų | 73 | 152.6 Ų | 152.6 | 60% | 0.603 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -76.4 | -28.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 186 | K | 54.2 | Low | 52.4 | Low | 185 Ų | 185 | 153.3 Ų | 153.3 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -80.2 | -21.4 | -179.4 | -124.1 | 171.2 | -178.7 | 176.7 | 0 | 113.7 | ||
| 187 | K | 55.7 | Low | 52.5 | Low | 159 Ų | 159 | 157.3 Ų | 157.3 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -77.5 | -22.6 | 179.2 | -118.3 | 176.7 | -179.9 | 178 | 0 | 113.7 | ||
| 188 | R | 54.1 | Low | 52.9 | Low | 203 Ų | 203 | 154.4 Ų | 154.4 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -77.2 | -26.7 | 176.9 | -65 | -176.1 | 87.3 | 179.2 | 5 | 113.1 | ||
| 189 | K | 56.7 | Low | 53.5 | Low | 173 Ų | 173 | 157.6 Ų | 157.6 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -78.5 | -21.2 | 178.3 | -65 | -123.2 | 178.6 | 180 | 0 | 114.1 | ||
| 190 | A | 52.2 | Low | 53.5 | Low | 66 Ų | 66 | 156.1 Ų | 156.1 | 55% | 0.545 | 73% | 0.734 | S | S | . | * | H | α-helix | trans | -80.4 | -29.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 191 | K | 55.9 | Low | 53.8 | Low | 164 Ų | 164 | 155 Ų | 155 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -78.5 | -21.4 | 177.6 | -66.7 | -162.6 | 175 | -172.2 | 0 | 113.5 | ||
| 192 | L | 54.4 | Low | 53.9 | Low | 131 Ų | 131 | 150.1 Ų | 150.1 | 69% | 0.686 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -77.3 | -21.2 | 176.1 | -93.3 | 142.8 | 0 | 0 | 0 | 114.3 | ||
| 193 | K | 55.9 | Low | 54.1 | Low | 175 Ų | 175 | 150.4 Ų | 150.4 | 76% | 0.761 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -85.5 | -21.6 | 175.1 | -70.9 | -163.6 | 176.7 | -174.8 | 0 | 114.1 | ||
| 194 | K | 56.2 | Low | 54.2 | Low | 167 Ų | 167 | 149.6 Ų | 149.6 | 73% | 0.726 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -81.1 | -30.6 | 175.4 | -77.5 | -170.2 | 173.5 | -174.8 | 0 | 113.5 | K196 | K194-K196 VanDerWaalsContact C-N 3.32Å; K194-K196 PolarHBondContact O-N 3.27Å |
| 195 | V | 55.6 | Low | 54.6 | Low | 109 Ų | 109 | 150.1 Ų | 150.1 | 66% | 0.661 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -73.6 | -23.3 | 177.2 | -179.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 196 | K | 54.2 | Low | 54.7 | Low | 177 Ų | 177 | 155.2 Ų | 155.2 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -80.7 | -15.3 | 179.8 | -144 | 171.4 | -177.4 | 176.2 | 0 | 114.2 | K194 | K194-K196 VanDerWaalsContact C-N 3.32Å; K194-K196 PolarHBondContact O-N 3.27Å |
| 197 | K | 52.9 | Low | 54.8 | Low | 172 Ų | 172 | 154.5 Ų | 154.5 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -87 | -31.3 | 177.8 | -110.2 | -175.9 | 176.6 | -175.9 | 0 | 113.7 | ||
| 198 | H | 52.2 | Low | 54.7 | Low | 135 Ų | 135 | 152.9 Ų | 152.9 | 63% | 0.625 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -80.2 | -19.3 | -179.9 | -74.1 | -79 | 0 | 0 | 0 | 114.5 | K200 T201 | H198-K200 VanDerWaalsContact C-N 3.31Å; H198-K200 PolarHBondContact O-N 3.47Å; H198-T201 PolarHBondContact O-OG1 2.93Å |
| 199 | K | 52.3 | Low | 54.7 | Low | 178 Ų | 178 | 151.5 Ų | 151.5 | 77% | 0.774 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -75 | -15.9 | 177.8 | -162.5 | 156.9 | -179 | 172.1 | 0 | 114.2 | ||
| 200 | K | 54 | Low | 54.5 | Low | 180 Ų | 180 | 152.5 Ų | 152.5 | 78% | 0.783 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -89.9 | -21.5 | 175.8 | -83.2 | -170.9 | 174.2 | -174.5 | 0 | 113.7 | H198 | H198-K200 VanDerWaalsContact C-N 3.31Å; H198-K200 PolarHBondContact O-N 3.47Å |
| 201 | T | 55.1 | Low | 54.6 | Low | 82 Ų | 82 | 158.6 Ų | 158.6 | 50% | 0.503 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -87.5 | -29.9 | -179.8 | 46.9 | 0 | 0 | 0 | 0 | 113.2 | H198 K204 K205 | H198-T201 PolarHBondContact O-OG1 2.93Å; T201-K204 PolarHBondContact O-N 3Å; T201-K205 PolarHBondContact O-N 3.06Å |
| 202 | D | 53.8 | Low | 54.4 | Low | 109 Ų | 109 | 155.1 Ų | 155.1 | 58% | 0.583 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -75.8 | -27.2 | 176.7 | -81.3 | -48.5 | 0 | 0 | 0 | 113.9 | K204 K205 K206 | D202-K204 VanDerWaalsContact C-N 3.28Å; D202-K204 PolarHBondContact O-N 2.85Å; D202-K205 PolarHBondContact O-N 3.43Å; D202-K206 PolarHBondContact O-N 3.48Å |
| 203 | K | 56.5 | Low | 54.4 | Low | 180 Ų | 180 | 158.2 Ų | 158.2 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -72.5 | -20.8 | 176.1 | -137.7 | 177.2 | -177 | -177.6 | 0 | 112.9 | ||
| 204 | K | 55.3 | Low | 54 | Low | 167 Ų | 167 | 156.4 Ų | 156.4 | 73% | 0.726 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -87 | -33.2 | 175.2 | -154.2 | 174.3 | -178 | -179.3 | 0 | 112.2 | T201 D202 | T201-K204 PolarHBondContact O-N 3Å; D202-K204 VanDerWaalsContact C-N 3.28Å; D202-K204 PolarHBondContact O-N 2.85Å |
| 205 | K | 55.9 | Low | 53.7 | Low | 168 Ų | 168 | 154.8 Ų | 154.8 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -73.1 | -28.4 | 174.4 | -89.8 | -173.1 | 174 | -176.7 | 0 | 114.2 | T201 D202 | T201-K205 PolarHBondContact O-N 3.06Å; D202-K205 PolarHBondContact O-N 3.43Å |
| 206 | K | 56.3 | Low | 53.5 | Low | 179 Ų | 179 | 159.4 Ų | 159.4 | 78% | 0.778 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -79 | -16.5 | 178.5 | -146.5 | 173.3 | -175.8 | 177.9 | 0 | 114.2 | D202 | D202-K206 PolarHBondContact O-N 3.48Å |
| 207 | K | 54.9 | Low | 53.3 | Low | 170 Ų | 170 | 162.6 Ų | 162.6 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -85.9 | -22.6 | 177.1 | -135.3 | -179.2 | -177.8 | -173.8 | 0 | 113.5 | ||
| 208 | N | 53.9 | Low | 53.3 | Low | 126 Ų | 126 | 165.9 Ų | 165.9 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -93.1 | -13.8 | 177.8 | -71.7 | 3 | 0 | 0 | 0 | 114.1 | ||
| 209 | K | 54.7 | Low | 53.4 | Low | 173 Ų | 173 | 164.9 Ų | 164.9 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -4 | 178.7 | -156.8 | 168.5 | -178.9 | 176 | 0 | 114.3 | ||
| 210 | K | 52.9 | Low | 53.4 | Low | 195 Ų | 195 | 162.3 Ų | 162.3 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -0.6 | 175.2 | -91.6 | -169.5 | 173.9 | -170.1 | 0 | 114.3 | ||
| 211 | K | 53.2 | Low | 53.3 | Low | 193 Ų | 193 | 160.4 Ų | 160.4 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -108.9 | 9.2 | -178.1 | -72.2 | -162.2 | 173.4 | -167.7 | 0 | 115.2 | ||
| 212 | S | 53.2 | Low | 52.7 | Low | 91 Ų | 91 | 162.2 Ų | 162.2 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -132.9 | 28.5 | -171.9 | 72.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 213 | K | 52.9 | Low | 52.5 | Low | 197 Ų | 197 | 162.2 Ų | 162.2 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -126 | 25.9 | -174.9 | -127.1 | -177.4 | -176.5 | -170.8 | 0 | 115 | ||||
| 214 | V | 47.9 | Very low | 52 | Low | 137 Ų | 137 | 158.9 Ų | 158.9 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | -135.3 | 81.5 | 174.8 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 215 | T | 50.3 | Low | 51.6 | Low | 133 Ų | 133 | 155.7 Ų | 155.7 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -172.7 | 89.3 | 164.4 | 25.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 216 | K | 50.7 | Low | 51 | Low | 206 Ų | 206 | 153 Ų | 153 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | trans | -179.2 | 64.6 | 157.2 | -105 | 179.1 | -171.4 | -172.9 | 0 | 110 | ||||
| 217 | R | 51.4 | Low | 50.4 | Low | 244 Ų | 244 | 149.1 Ų | 149.1 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -149.7 | 102.7 | 158.6 | -76.9 | -157.7 | 152.1 | -165.5 | -8.8 | 110.3 | ||
| 218 | R | 51.9 | Low | 50.1 | Low | 240 Ų | 240 | 146.4 Ų | 146.4 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | 55.2 | 131.5 | 140.7 | -142.5 | 168.3 | -176.4 | -164.1 | 0 | 119 | ||||
| 219 | P | 55.1 | Low | 49.6 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | trans | -77.4 | 157.3 | -173.7 | 34 | -35.5 | 0 | 0 | 0 | 112.4 | ||||
| 220 | P | 50.7 | Low | 49.2 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | trans | -93.8 | 148.8 | -179.9 | 36.4 | -30.1 | 0 | 0 | 0 | 112.2 | ||||
| 221 | T | 52 | Low | 49 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -115.1 | 151.6 | 160.5 | 48.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 222 | P | 44 | Very low | 48.6 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -104.4 | 151.8 | -150.6 | 37.5 | -29.7 | 0 | 0 | 0 | 113.5 | ||||
| 223 | S | 48.3 | Very low | 48.5 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -154.9 | 114.3 | 160.8 | -40 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 224 | S | 46.8 | Very low | 48.2 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | 48.8 | 95.8 | 133.8 | -35.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 225 | S | 46.7 | Very low | 48.1 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | 75 | 118 | 94.8 | 63 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 226 | S | 43.9 | Very low | 48.1 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | 64.8 | 137.2 | 145 | 51.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 227 | S | 43.9 | Very low | 48 | Very low | 98 Ų | 98 | 126.1 Ų | 126.1 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | cis | 176.9 | 149.4 | -1.6 | 32.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 228 | S | 47.3 | Very low | 47.9 | Very low | 113 Ų | 113 | 120.3 Ų | 120.3 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | 66.3 | 141.1 | 152.3 | 67.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 229 | S | 43.6 | Very low | 47.9 | Very low | 99 Ų | 99 | 114.4 Ų | 114.4 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | cis | -163.4 | 145.5 | 12 | -28.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 230 | S | 47.5 | Very low | 48.1 | Very low | 110 Ų | 110 | 114.7 Ų | 114.7 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 10.1 | 131.1 | 142.1 | 51.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 231 | S | 47.4 | Very low | 48.7 | Very low | 125 Ų | 125 | 114.5 Ų | 114.5 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | -176.3 | 130.4 | 118.1 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 232 | S | 46 | Very low | 49.6 | Very low | 112 Ų | 112 | 113.7 Ų | 113.7 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -96.3 | 141.5 | 179.7 | 45.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 233 | T | 50.7 | Low | 50.7 | Low | 149 Ų | 149 | 114 Ų | 114 | 91% | 0.914 | 79% | 0.786 | S | S | * | * | trans | -154.2 | 126.2 | 148.5 | 42.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 234 | S | 45.4 | Very low | 51.3 | Low | 110 Ų | 110 | 114.3 Ų | 114.3 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -90 | 148.7 | 173.4 | 46.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 235 | S | 46.9 | Very low | 52.5 | Low | 107 Ų | 107 | 115.1 Ų | 115.1 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 164.6 | 115.8 | 137.9 | 52.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 236 | S | 49.6 | Very low | 53.6 | Low | 108 Ų | 108 | 114.7 Ų | 114.7 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | 68.7 | 138.4 | 115 | 67.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 237 | S | 49.6 | Very low | 54.2 | Low | 104 Ų | 104 | 115.6 Ų | 115.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | cis | 169.8 | 137.8 | 12.6 | 34 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 238 | S | 49.4 | Very low | 54.9 | Low | 122 Ų | 122 | 116.3 Ų | 116.3 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | 176.9 | 131.2 | 144.5 | 45.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 239 | S | 51.5 | Low | 54.8 | Low | 117 Ų | 117 | 116.6 Ų | 116.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -64.2 | 143.6 | 177.2 | 47.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 240 | S | 58.1 | Low | 55.4 | Low | 121 Ų | 121 | 116.8 Ų | 116.8 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -155.6 | 122.7 | 152.9 | 42.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 241 | S | 64.3 | Low | 55.3 | Low | 119 Ų | 119 | 118.3 Ų | 118.3 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 147.1 | -178.8 | -47.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 242 | P | 71.2 | Confident | 55.5 | Low | 123 Ų | 123 | 117.2 Ų | 117.2 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 153.8 | 171.3 | 33.2 | -31.8 | 0 | 0 | 0 | 112.8 | ||
| 243 | P | 67.7 | Low | 55.4 | Low | 127 Ų | 127 | 117.9 Ų | 117.9 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86 | 158 | -171.7 | 34.8 | -34.9 | 0 | 0 | 0 | 114.2 | ||
| 244 | S | 59.1 | Low | 55.4 | Low | 115 Ų | 115 | 115.8 Ų | 115.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 144.3 | 174.5 | -54.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 245 | P | 73.8 | Confident | 55.4 | Low | 127 Ų | 127 | 116.4 Ų | 116.4 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 141.4 | 172.5 | 31.5 | -31.3 | 0 | 0 | 0 | 112.9 | ||
| 246 | A | 69.2 | Low | 55.4 | Low | 91 Ų | 91 | 116.8 Ų | 116.8 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 160 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 247 | P | 56.6 | Low | 55.3 | Low | 130 Ų | 130 | 117.2 Ų | 117.2 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 121.1 | 179 | 31.7 | -31.5 | 0 | 0 | 0 | 111.2 | S249 | P247-S249 PolarHBondContact O-N 3.13Š|
| 248 | S | 58.2 | Low | 55 | Low | 114 Ų | 114 | 117.3 Ų | 117.3 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -83.4 | 112.7 | 170.9 | 52 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 249 | S | 45.4 | Very low | 55.1 | Low | 119 Ų | 119 | 116.7 Ų | 116.7 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -63.9 | 127 | 162 | 49.8 | 0 | 0 | 0 | 0 | 111 | P247 | P247-S249 PolarHBondContact O-N 3.13Š| ||
| 250 | S | 56 | Low | 54.6 | Low | 102 Ų | 102 | 116.8 Ų | 116.8 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | trans | -137.8 | 97.9 | 162.1 | 51.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 251 | T | 46.1 | Very low | 54.3 | Low | 142 Ų | 142 | 116.3 Ų | 116.3 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | trans | -54.1 | 126.2 | 157.9 | 35.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 252 | S | 50.1 | Low | 53.5 | Low | 103 Ų | 103 | 116.4 Ų | 116.4 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | -139.1 | 97.7 | 165.8 | -51.2 | 0 | 0 | 0 | 0 | 107.5 | S254 | S252-S254 PolarHBondContact O-N 3.44Š| ||
| 253 | S | 45.4 | Very low | 52.6 | Low | 125 Ų | 125 | 118 Ų | 118 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -60.9 | 118.2 | 167.7 | 45.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 254 | S | 50.7 | Low | 51.6 | Low | 105 Ų | 105 | 115.1 Ų | 115.1 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -143.2 | 110.6 | 158.6 | 44.3 | 0 | 0 | 0 | 0 | 109.8 | S252 | S252-S254 PolarHBondContact O-N 3.44Š| ||
| 255 | S | 43.9 | Very low | 51.1 | Low | 123 Ų | 123 | 115.9 Ų | 115.9 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -47.5 | 125 | 169.2 | 47 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 256 | C | 46.9 | Very low | 49.8 | Very low | 116 Ų | 116 | 116.3 Ų | 116.3 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -148.2 | 105.5 | 151.5 | 52.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 257 | S | 48.8 | Very low | 49 | Very low | 116 Ų | 116 | 119.4 Ų | 119.4 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | 26.6 | 99.6 | 146.3 | -46.2 | 0 | 0 | 0 | 0 | 117.9 | S259 | S257-S259 PolarHBondContact O-N 2.71Š| ||
| 258 | A | 41.8 | Very low | 48.8 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | trans | -68.6 | 112.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 259 | S | 52 | Low | 48.8 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -106.3 | 106.5 | 158.4 | -62 | 0 | 0 | 0 | 0 | 107.2 | S257 S261 | S257-S259 PolarHBondContact O-N 2.71Å; S259-S261 PolarHBondContact O-N 3.44Å | ||
| 260 | S | 42.5 | Very low | 49.2 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -54 | 119 | 171.9 | 35.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 261 | S | 50.3 | Low | 49.6 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -123 | 93 | 160 | -58.7 | 0 | 0 | 0 | 0 | 106.1 | S259 I263 | S259-S261 PolarHBondContact O-N 3.44Å; S261-I263 PolarHBondContact O-N 3.35Å; S261-I263 VanDerWaalsContact O-N 3.09Å | ||
| 262 | S | 47 | Very low | 50.2 | Low | 122 Ų | 122 | 129.9 Ų | 129.9 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -58.6 | 105.2 | 172 | -171.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 263 | I | 53.7 | Low | 50.6 | Low | 155 Ų | 155 | 132.1 Ų | 132.1 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | trans | -91.4 | 98.8 | 166.1 | -172.4 | 139.3 | 0 | 0 | 0 | 106.6 | S261 T265 | S261-I263 PolarHBondContact O-N 3.35Å; S261-I263 VanDerWaalsContact O-N 3.09Å; I263-T265 PolarHBondContact O-N 3.08Å | ||
| 264 | G | 47.2 | Very low | 51.4 | Low | 67 Ų | 67 | 134.1 Ų | 134.1 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | trans | -59.9 | 114.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | D266 | G264-D266 PolarHBondContact O-N 3.42Š| ||
| 265 | T | 47.7 | Very low | 51.6 | Low | 132 Ų | 132 | 137.2 Ų | 137.2 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -87.7 | 86 | 161 | 49.3 | 0 | 0 | 0 | 0 | 106.9 | I263 | I263-T265 PolarHBondContact O-N 3.08Š| ||
| 266 | D | 46 | Very low | 52.4 | Low | 135 Ų | 135 | 137.5 Ų | 137.5 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | -158.9 | 91 | 168.5 | -144.9 | -91.8 | 0 | 0 | 0 | 108.7 | G264 | G264-D266 PolarHBondContact O-N 3.42Š| ||
| 267 | D | 53.1 | Low | 52.6 | Low | 156 Ų | 156 | 145.1 Ų | 145.1 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -134.2 | 75.2 | 159.8 | -89.4 | -53.7 | 0 | 0 | 0 | 105.4 | I269 | D267-I269 PolarHBondContact O-N 3.03Å; D267-I269 VanDerWaalsContact O-N 3.11Å | ||
| 268 | E | 51.4 | Low | 52.8 | Low | 175 Ų | 175 | 146.6 Ų | 146.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -59 | 102.3 | 153.5 | -95.3 | -152.2 | 120.3 | 0 | 0 | 107.7 | E270 | E268-E270 VanDerWaalsContact C-N 3.31Å; E268-E270 PolarHBondContact O-N 3.28Å; E268-E270 VanDerWaalsContact O-N 3.12Å | ||
| 269 | I | 59.4 | Low | 53.3 | Low | 127 Ų | 127 | 148.7 Ų | 148.7 | 65% | 0.651 | 79% | 0.794 | S | S | * | * | trans | -82.5 | 88.1 | 167 | -61.5 | 171.2 | 0 | 0 | 0 | 106.8 | D267 W271 | D267-I269 PolarHBondContact O-N 3.03Å; D267-I269 VanDerWaalsContact O-N 3.11Å; I269-W271 PolarHBondContact O-N 2.94Å | ||
| 270 | E | 53.1 | Low | 53.4 | Low | 142 Ų | 142 | 150.9 Ų | 150.9 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | trans | -65.5 | 103.3 | 168.6 | -168.7 | -175.4 | 178.1 | 0 | 0 | 109.4 | E268 Q272 | E268-E270 VanDerWaalsContact C-N 3.31Å; E268-E270 PolarHBondContact O-N 3.28Å; E268-E270 VanDerWaalsContact O-N 3.12Å; E270-Q272 HydrophobicContact CG-CG 4.03Å; E270-Q272 PolarHBondContact O-N 3.18Å; E270-Q272 WeakPolarHBondContact OE1-CG 3.29Å; E270-Q272 PolarHBondContact OE1-NE2 3.19Å | ||
| 271 | W | 64.9 | Low | 54 | Low | 234 Ų | 234 | 152.8 Ų | 152.8 | 89% | 0.886 | 79% | 0.794 | S | S | * | * | trans | -81.5 | 88 | 169.3 | -74.9 | 94 | 0 | 0 | 0 | 109.4 | I269 | I269-W271 PolarHBondContact O-N 2.94Š| ||
| 272 | Q | 59 | Low | 54.3 | Low | 150 Ų | 150 | 155.4 Ų | 155.4 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -79.1 | 125.6 | 163.9 | -71.7 | -155.6 | 29.9 | 0 | 0 | 110.9 | E270 L274 | E270-Q272 HydrophobicContact CG-CG 4.03Å; E270-Q272 PolarHBondContact O-N 3.18Å; E270-Q272 WeakPolarHBondContact OE1-CG 3.29Å; E270-Q272 PolarHBondContact OE1-NE2 3.19Å; Q272-L274 PolarHBondContact O-N 3.4Å | ||
| 273 | E | 58.9 | Low | 54.8 | Low | 150 Ų | 150 | 157.7 Ų | 157.7 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -54.8 | 122.7 | 176.8 | -62.7 | -180 | 139.1 | 0 | 0 | 112.7 | K275 | E273-K275 PolarHBondContact O-N 3.04Å; E273-K275 IonicContact OE2-NZ 2.71Å; E273-K275 PolarHBondContact OE2-NZ 3.21Å | ||
| 274 | L | 61.6 | Low | 54.8 | Low | 166 Ų | 166 | 157.9 Ų | 157.9 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -78.7 | 97.8 | 156.8 | -111.4 | 98.9 | 0 | 0 | 0 | 109.1 | Q272 V276 | Q272-L274 PolarHBondContact O-N 3.4Å; L274-V276 PolarHBondContact O-N 3.39Å | ||
| 275 | K | 54.1 | Low | 55.4 | Low | 170 Ų | 170 | 164.8 Ų | 164.8 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | trans | -74.1 | 107.4 | 160.9 | -83.7 | 173.6 | 172.7 | 92.2 | 0 | 108.8 | E273 | E273-K275 PolarHBondContact O-N 3.04Å; E273-K275 IonicContact OE2-NZ 2.71Å; E273-K275 PolarHBondContact OE2-NZ 3.21Å | ||
| 276 | V | 60.4 | Low | 56.1 | Low | 130 Ų | 130 | 167.6 Ų | 167.6 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | -76.7 | 121.8 | 161.9 | 175.8 | 0 | 0 | 0 | 0 | 107.7 | L274 | L274-V276 PolarHBondContact O-N 3.39Š| ||
| 277 | K | 51 | Low | 57 | Low | 276 Ų | 276 | 170.5 Ų | 170.5 | 100% | 1.2 | 81% | 0.805 | S | S | * | * | trans | -103.9 | 0 | 154.2 | -95.8 | -178 | 174.1 | 175.4 | 0 | 107.7 |
Retrieved 277 of 277 residues in 297.1 ms
(Link to these results)