| 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 | 45.6 | Very low | 50 | Low | 212 Ų | 212 | 146.2 Ų | 146.2 | 100% | 1.044 | 66% | 0.659 | S | S | * | * | 0 | 6 | 0 | -91.9 | -174.9 | 170.4 | 0 | 0 | 112 | |||||
| 2 | D | 54.6 | Low | 50.9 | Low | 116 Ų | 116 | 138.8 Ų | 138.8 | 62% | 0.62 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -81.1 | -24.7 | -158.7 | -56.6 | -78.8 | 0 | 0 | 0 | 117.3 | N6 | D2-N6 WeakPolarHBondContact O-CB 3.29Å; D2-N6 PolarHBondContact O-N 2.88Å |
| 3 | R | 48.6 | Very low | 51.2 | Low | 231 Ų | 231 | 131.2 Ų | 131.2 | 87% | 0.872 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.1 | -37.3 | -176.6 | -89.3 | -171.9 | -174.3 | 176.5 | 3.2 | 113.4 | A7 | R3-A7 WeakPolarHBondContact O-CB 3.38Å; R3-A7 PolarHBondContact O-N 3.05Å |
| 4 | K | 44.9 | Very low | 51.4 | Low | 184 Ų | 184 | 125.6 Ų | 125.6 | 80% | 0.8 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -72 | -39.1 | -178.8 | -75 | -172.7 | 176.5 | -177.9 | 0 | 111.6 | A7 Y8 | K4-A7 PolarHBondContact O-N 3.14Å; K4-Y8 PolarHBondContact O-N 3.14Å; K4-Y8 VanDerWaalsContact O-N 3.12Å |
| 5 | E | 48.3 | Very low | 51.7 | Low | 114 Ų | 114 | 121.7 Ų | 121.7 | 53% | 0.533 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.9 | -41 | -179.6 | -141.3 | 179.1 | 163.9 | 0 | 0 | 111.7 | Y8 R9 | E5-Y8 PolarHBondContact O-N 3.09Å; E5-R9 WeakPolarHBondContact O-CG 3.12Å; E5-R9 PolarHBondContact O-N 2.86Å; E5-R9 VanDerWaalsContact O-N 3.07Å |
| 6 | N | 48.8 | Very low | 52.1 | Low | 89 Ų | 89 | 116.1 Ų | 116.1 | 48% | 0.476 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.7 | -37.6 | 175.2 | -79.1 | -18.5 | 0 | 0 | 0 | 113 | D2 Y8 R9 W10 | D2-N6 WeakPolarHBondContact O-CB 3.29Å; D2-N6 PolarHBondContact O-N 2.88Å; N6-Y8 VanDerWaalsContact C-N 3.32Å; N6-Y8 PolarHBondContact O-N 3.47Å; N6-R9 PolarHBondContact O-N 3.16Å; N6-W10 PolarHBondContact O-N 2.98Å; N6-W10 VanDerWaalsContact O-N 3.09Å |
| 7 | A | 48 | Very low | 52.4 | Low | 51 Ų | 51 | 117.1 Ų | 117.1 | 42% | 0.421 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.4 | -41.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R3 K4 W10 I11 | R3-A7 WeakPolarHBondContact O-CB 3.38Å; R3-A7 PolarHBondContact O-N 3.05Å; K4-A7 PolarHBondContact O-N 3.14Å; A7-W10 PolarHBondContact O-N 3.47Å; A7-I11 WeakPolarHBondContact O-CG1 3.37Å; A7-I11 PolarHBondContact O-N 3.31Å |
| 8 | Y | 52.2 | Low | 52.7 | Low | 165 Ų | 165 | 116.4 Ų | 116.4 | 65% | 0.647 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.3 | -40.2 | 178.2 | -137.5 | -96.4 | 0 | 0 | 0 | 112.1 | K4 E5 N6 W10 I11 I12 | K4-Y8 PolarHBondContact O-N 3.14Å; K4-Y8 VanDerWaalsContact O-N 3.12Å; E5-Y8 PolarHBondContact O-N 3.09Å; N6-Y8 VanDerWaalsContact C-N 3.32Å; N6-Y8 PolarHBondContact O-N 3.47Å; Y8-W10 PolarHBondContact O-N 3.39Å; Y8-I11 PolarHBondContact O-N 3.26Å; Y8-I12 HydrophobicContact CD1-CD1 3.6Å; Y8-I12 HydrophobicContact CD1-CG1 4.33Å; Y8-I12 HydrophobicContact CE1-CD1 3.86Å; Y8-I12 WeakPolarHBondContact O-CG1 3.28Å; Y8-I12 PolarHBondContact O-N 2.96Å; Y8-I12 VanDerWaalsContact O-N 3.11Å |
| 9 | R | 52.8 | Low | 53 | Low | 137 Ų | 137 | 112.2 Ų | 112.2 | 52% | 0.517 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 174.5 | -73.3 | 178.2 | 175.6 | -165.8 | -0.6 | 112.4 | E5 N6 A13 | E5-R9 WeakPolarHBondContact O-CG 3.12Å; E5-R9 PolarHBondContact O-N 2.86Å; E5-R9 VanDerWaalsContact O-N 3.07Å; N6-R9 PolarHBondContact O-N 3.16Å; R9-A13 WeakPolarHBondContact O-CB 3.25Å; R9-A13 PolarHBondContact O-N 3.33Å |
| 10 | W | 50.7 | Low | 53.2 | Low | 195 Ų | 195 | 111.3 Ų | 111.3 | 74% | 0.739 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.2 | -46.5 | 177.5 | -94.8 | 88.2 | 0 | 0 | 0 | 112.2 | N6 A7 Y8 I12 A13 S14 | N6-W10 PolarHBondContact O-N 2.98Å; N6-W10 VanDerWaalsContact O-N 3.09Å; A7-W10 PolarHBondContact O-N 3.47Å; Y8-W10 PolarHBondContact O-N 3.39Å; W10-I12 VanDerWaalsContact C-N 3.33Å; W10-I12 PolarHBondContact O-N 3.27Å; W10-A13 PolarHBondContact O-N 3.22Å; W10-S14 WeakPolarHBondContact O-CB 3.35Å; W10-S14 PolarHBondContact O-N 3.33Å; W10-S14 PolarHBondContact O-OG 2.84Å |
| 11 | I | 55.9 | Low | 53.5 | Low | 114 Ų | 114 | 108.6 Ų | 108.6 | 59% | 0.585 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.6 | -44 | 180 | -65.9 | 165.3 | 0 | 0 | 0 | 111 | A7 Y8 S14 S15 | A7-I11 WeakPolarHBondContact O-CG1 3.37Å; A7-I11 PolarHBondContact O-N 3.31Å; Y8-I11 PolarHBondContact O-N 3.26Å; I11-S14 PolarHBondContact O-N 3.37Å; I11-S15 PolarHBondContact O-N 3.09Å; I11-S15 PolarHBondContact O-OG 3.27Å |
| 12 | I | 60.6 | Low | 54.2 | Low | 58 Ų | 58 | 103 Ų | 103 | 30% | 0.297 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.5 | -46.3 | 179.1 | -65.1 | 170.8 | 0 | 0 | 0 | 110.7 | Y8 W10 S14 S15 L16 | Y8-I12 HydrophobicContact CD1-CD1 3.6Å; Y8-I12 HydrophobicContact CD1-CG1 4.33Å; Y8-I12 HydrophobicContact CE1-CD1 3.86Å; Y8-I12 WeakPolarHBondContact O-CG1 3.28Å; Y8-I12 PolarHBondContact O-N 2.96Å; Y8-I12 VanDerWaalsContact O-N 3.11Å; W10-I12 VanDerWaalsContact C-N 3.33Å; W10-I12 PolarHBondContact O-N 3.27Å; I12-S14 VanDerWaalsContact C-N 3.34Å; I12-S14 PolarHBondContact O-N 3.43Å; I12-S15 WeakPolarHBondContact CA-OG 3.2Å; I12-S15 PolarHBondContact O-N 3.17Å; I12-S15 PolarHBondContact O-OG 3.32Å; I12-L16 HydrophobicContact CG2-CD1 4.22Å; I12-L16 PolarHBondContact O-N 3.11Å |
| 13 | A | 54.3 | Low | 54.5 | Low | 39 Ų | 39 | 98.2 Ų | 98.2 | 32% | 0.322 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R9 W10 L16 M17 | R9-A13 WeakPolarHBondContact O-CB 3.25Å; R9-A13 PolarHBondContact O-N 3.33Å; W10-A13 PolarHBondContact O-N 3.22Å; A13-L16 PolarHBondContact O-N 2.89Å; A13-M17 WeakPolarHBondContact O-CG 3.23Å; A13-M17 PolarHBondContact O-N 3.14Å |
| 14 | S | 55.1 | Low | 55 | Low | 54 Ų | 54 | 90 Ų | 90 | 38% | 0.378 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 175.6 | -62 | 0 | 0 | 0 | 0 | 111.9 | W10 I11 I12 L16 M17 L18 | W10-S14 WeakPolarHBondContact O-CB 3.35Å; W10-S14 PolarHBondContact O-N 3.33Å; W10-S14 PolarHBondContact O-OG 2.84Å; I11-S14 PolarHBondContact O-N 3.37Å; I12-S14 VanDerWaalsContact C-N 3.34Å; I12-S14 PolarHBondContact O-N 3.43Å; S14-L16 VanDerWaalsContact C-N 3.35Å; S14-L16 PolarHBondContact O-N 3.22Å; S14-M17 PolarHBondContact O-N 3.13Å; S14-L18 WeakPolarHBondContact O-CB 3.42Å; S14-L18 PolarHBondContact O-N 3.38Å |
| 15 | S | 55.7 | Low | 55.5 | Low | 66 Ų | 66 | 86.6 Ų | 86.6 | 46% | 0.462 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.7 | -37.1 | 177.9 | 66.2 | 0 | 0 | 0 | 0 | 112.8 | I11 I12 L18 S19 | I11-S15 PolarHBondContact O-N 3.09Å; I11-S15 PolarHBondContact O-OG 3.27Å; I12-S15 WeakPolarHBondContact CA-OG 3.2Å; I12-S15 PolarHBondContact O-N 3.17Å; I12-S15 PolarHBondContact O-OG 3.32Å; S15-L18 PolarHBondContact O-N 2.91Å; S15-S19 PolarHBondContact O-N 3.41Å |
| 16 | L | 57.1 | Low | 56.1 | Low | 32 Ų | 32 | 84.4 Ų | 84.4 | 17% | 0.168 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -66.4 | -45.1 | 173.7 | -96.6 | 156.8 | 0 | 0 | 0 | 112.2 | I12 A13 S14 L18 S19 L20 A76 Y80 | I12-L16 HydrophobicContact CG2-CD1 4.22Å; I12-L16 PolarHBondContact O-N 3.11Å; A13-L16 PolarHBondContact O-N 2.89Å; S14-L16 VanDerWaalsContact C-N 3.35Å; S14-L16 PolarHBondContact O-N 3.22Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L16-L18 PolarHBondContact O-N 2.93Å; L16-S19 PolarHBondContact O-N 3.36Å; L16-S19 VanDerWaalsContact O-N 3.14Å; L16-S19 PolarHBondContact O-OG 3.05Å; L16-L20 WeakPolarHBondContact O-CG 3.22Å; L16-L20 PolarHBondContact O-N 3.25Å; L16-A76 HydrophobicContact CD1-CB 4.03Å; L16-A76 HydrophobicContact CD2-CB 3.65Å; L16-A76 HydrophobicContact CG-CB 4.27Å; L16-Y80 HydrophobicContact CD1-CE2 3.83Å |
| 17 | M | 57.6 | Low | 56.7 | Low | 134 Ų | 134 | 83.9 Ų | 83.9 | 66% | 0.66 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61.9 | -40.1 | 176 | -78 | -66.3 | 179.3 | 0 | 0 | 112.2 | A13 S14 L20 S21 | A13-M17 WeakPolarHBondContact O-CG 3.23Å; A13-M17 PolarHBondContact O-N 3.14Å; S14-M17 PolarHBondContact O-N 3.13Å; M17-L20 PolarHBondContact O-N 2.86Å; M17-S21 WeakPolarHBondContact O-CB 3.43Å; M17-S21 PolarHBondContact O-N 2.88Å; M17-S21 PolarHBondContact O-OG 3.47Å |
| 18 | L | 57.4 | Low | 57.3 | Low | 105 Ų | 105 | 84.5 Ų | 84.5 | 55% | 0.55 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 172.2 | -92.6 | 148.7 | 0 | 0 | 0 | 111.9 | S14 S15 L16 S21 L22 | S14-L18 WeakPolarHBondContact O-CB 3.42Å; S14-L18 PolarHBondContact O-N 3.38Å; S15-L18 PolarHBondContact O-N 2.91Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L16-L18 PolarHBondContact O-N 2.93Å; L18-S21 PolarHBondContact O-N 3.38Å; L18-S21 PolarHBondContact O-OG 3.09Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 WeakPolarHBondContact O-CD1 3.37Å; L18-L22 PolarHBondContact O-N 3.43Å |
| 19 | S | 58.7 | Low | 57.7 | Low | 35 Ų | 35 | 80.3 Ų | 80.3 | 25% | 0.245 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.3 | -37.3 | 178.2 | 74.5 | 0 | 0 | 0 | 0 | 112.9 | S15 L16 G23 | S15-S19 PolarHBondContact O-N 3.41Å; L16-S19 PolarHBondContact O-N 3.36Å; L16-S19 VanDerWaalsContact O-N 3.14Å; L16-S19 PolarHBondContact O-OG 3.05Å; S19-G23 PolarHBondContact O-N 2.7Å |
| 20 | L | 56.6 | Low | 58.1 | Low | 95 Ų | 95 | 76.6 Ų | 76.6 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70.4 | -40.6 | 177 | -75.2 | 162.2 | 0 | 0 | 0 | 111.5 | L16 M17 G23 A24 | L16-L20 WeakPolarHBondContact O-CG 3.22Å; L16-L20 PolarHBondContact O-N 3.25Å; M17-L20 PolarHBondContact O-N 2.86Å; L20-G23 PolarHBondContact O-N 3.5Å; L20-A24 WeakPolarHBondContact O-CB 3.49Å; L20-A24 PolarHBondContact O-N 3.29Å |
| 21 | S | 59.5 | Low | 58.4 | Low | 54 Ų | 54 | 71 Ų | 71 | 38% | 0.378 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 177.8 | 68.1 | 0 | 0 | 0 | 0 | 112.1 | M17 L18 A24 L25 | M17-S21 WeakPolarHBondContact O-CB 3.43Å; M17-S21 PolarHBondContact O-N 2.88Å; M17-S21 PolarHBondContact O-OG 3.47Å; L18-S21 PolarHBondContact O-N 3.38Å; L18-S21 PolarHBondContact O-OG 3.09Å; S21-A24 PolarHBondContact O-N 2.74Å; S21-L25 WeakPolarHBondContact O-CB 3.45Å; S21-L25 WeakPolarHBondContact O-CG 3.45Å; S21-L25 PolarHBondContact O-N 2.7Å |
| 22 | L | 61.7 | Low | 58.5 | Low | 96 Ų | 96 | 69.7 Ų | 69.7 | 50% | 0.503 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 171.5 | -101.2 | 124 | 0 | 0 | 0 | 112 | L18 A24 L25 L26 | L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 WeakPolarHBondContact O-CD1 3.37Å; L18-L22 PolarHBondContact O-N 3.43Å; L22-A24 PolarHBondContact O-N 3.23Å; L22-L25 PolarHBondContact O-N 3.24Å; L22-L26 WeakPolarHBondContact O-CB 3.47Å; L22-L26 PolarHBondContact O-N 3.3Å |
| 23 | G | 59.7 | Low | 58.6 | Low | 15 Ų | 15 | 70.2 Ų | 70.2 | 16% | 0.155 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S19 L20 L26 S27 | S19-G23 PolarHBondContact O-N 2.7Å; L20-G23 PolarHBondContact O-N 3.5Å; G23-L26 PolarHBondContact O-N 3.41Å; G23-S27 WeakPolarHBondContact O-CB 3.45Å; G23-S27 PolarHBondContact O-N 3.28Å; G23-S27 PolarHBondContact O-OG 3.35Å |
| 24 | A | 58.7 | Low | 58.7 | Low | 57 Ų | 57 | 72.7 Ų | 72.7 | 47% | 0.471 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L20 S21 L22 S27 A28 | L20-A24 WeakPolarHBondContact O-CB 3.49Å; L20-A24 PolarHBondContact O-N 3.29Å; S21-A24 PolarHBondContact O-N 2.74Å; L22-A24 PolarHBondContact O-N 3.23Å; A24-S27 PolarHBondContact O-N 3.17Å; A24-S27 PolarHBondContact O-OG 3.22Å; A24-A28 WeakPolarHBondContact O-CB 3.32Å; A24-A28 PolarHBondContact O-N 3.19Å |
| 25 | L | 56.3 | Low | 58.9 | Low | 114 Ų | 114 | 77.4 Ų | 77.4 | 60% | 0.597 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.4 | -47.8 | 176.5 | -80.8 | 161.6 | 0 | 0 | 0 | 111.7 | S21 L22 S27 A28 V29 | S21-L25 WeakPolarHBondContact O-CB 3.45Å; S21-L25 WeakPolarHBondContact O-CG 3.45Å; S21-L25 PolarHBondContact O-N 2.7Å; L22-L25 PolarHBondContact O-N 3.24Å; L25-S27 PolarHBondContact O-N 3.12Å; L25-A28 PolarHBondContact O-N 3.07Å; L25-V29 WeakPolarHBondContact O-CB 3.33Å; L25-V29 VanDerWaalsContact O-CG2 3.23Å; L25-V29 WeakPolarHBondContact O-CG2 3.35Å; L25-V29 PolarHBondContact O-N 3.09Å |
| 26 | L | 60.3 | Low | 58.8 | Low | 68 Ų | 68 | 80.2 Ų | 80.2 | 36% | 0.356 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 176.1 | -101.5 | 128.5 | 0 | 0 | 0 | 111.6 | L22 G23 A28 V29 L30 V65 | L22-L26 WeakPolarHBondContact O-CB 3.47Å; L22-L26 PolarHBondContact O-N 3.3Å; G23-L26 PolarHBondContact O-N 3.41Å; L26-A28 PolarHBondContact O-N 3.1Å; L26-V29 PolarHBondContact O-N 3.44Å; L26-L30 HydrophobicContact CB-CD1 4.35Å; L26-L30 HydrophobicContact CD2-CD1 3.77Å; L26-L30 VanDerWaalsContact O-CB 3.27Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 WeakPolarHBondContact O-CD1 3.39Å; L26-L30 WeakPolarHBondContact O-CG 3.2Å; L26-L30 PolarHBondContact O-N 3.37Å; L26-V65 HydrophobicContact CD2-CG1 4.29Å |
| 27 | S | 61.4 | Low | 58.6 | Low | 78 Ų | 78 | 81.9 Ų | 81.9 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.9 | -27.4 | 179.2 | 75.8 | 0 | 0 | 0 | 0 | 113.5 | G23 A24 L25 P31 | G23-S27 WeakPolarHBondContact O-CB 3.45Å; G23-S27 PolarHBondContact O-N 3.28Å; G23-S27 PolarHBondContact O-OG 3.35Å; A24-S27 PolarHBondContact O-N 3.17Å; A24-S27 PolarHBondContact O-OG 3.22Å; L25-S27 PolarHBondContact O-N 3.12Å; S27-P31 WeakPolarHBondContact O-CD 3.48Å; S27-P31 WeakPolarHBondContact O-CG 3.47Å |
| 28 | A | 60.3 | Low | 58.4 | Low | 63 Ų | 63 | 80 Ų | 80 | 52% | 0.521 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -83.3 | -36 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A24 L25 L26 T32 | A24-A28 WeakPolarHBondContact O-CB 3.32Å; A24-A28 PolarHBondContact O-N 3.19Å; L25-A28 PolarHBondContact O-N 3.07Å; L26-A28 PolarHBondContact O-N 3.1Å; A28-T32 PolarHBondContact O-OG1 3.24Å |
| 29 | V | 60.7 | Low | 58 | Low | 78 Ų | 78 | 81.1 Ų | 81.1 | 47% | 0.473 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -83.1 | -35.3 | -175.6 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | L25 L26 T32 V33 | L25-V29 WeakPolarHBondContact O-CB 3.33Å; L25-V29 VanDerWaalsContact O-CG2 3.23Å; L25-V29 WeakPolarHBondContact O-CG2 3.35Å; L25-V29 PolarHBondContact O-N 3.09Å; L26-V29 PolarHBondContact O-N 3.44Å; V29-T32 PolarHBondContact O-N 2.86Å; V29-T32 PolarHBondContact O-OG1 3.05Å; V29-T32 VanDerWaalsContact O-OG1 3.1Å; V29-V33 HydrophobicContact CG1-CG2 3.8Å; V29-V33 WeakPolarHBondContact O-CG2 3.43Å; V29-V33 PolarHBondContact O-N 2.97Å |
| 30 | L | 61.5 | Low | 57.5 | Low | 59 Ų | 59 | 86 Ų | 86 | 31% | 0.309 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -55.8 | -47.9 | -178.5 | -94.3 | 153.3 | 0 | 0 | 0 | 113.9 | L26 T32 V33 Y34 V62 | L26-L30 HydrophobicContact CB-CD1 4.35Å; L26-L30 HydrophobicContact CD2-CD1 3.77Å; L26-L30 VanDerWaalsContact O-CB 3.27Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 WeakPolarHBondContact O-CD1 3.39Å; L26-L30 WeakPolarHBondContact O-CG 3.2Å; L26-L30 PolarHBondContact O-N 3.37Å; L30-T32 VanDerWaalsContact C-N 3.29Å; L30-T32 PolarHBondContact O-N 3.1Å; L30-V33 PolarHBondContact O-N 3.45Å; L30-Y34 WeakPolarHBondContact O-CB 3.49Å; L30-Y34 PolarHBondContact O-N 3.14Å; L30-V62 HydrophobicContact CD1-CG2 4.41Å; L30-V62 HydrophobicContact CD2-CG2 3.48Å; L30-V62 VanDerWaalsContact CD2-CG2 3.48Å |
| 31 | P | 57.2 | Low | 57.2 | Low | 77 Ų | 77 | 84.1 Ų | 84.1 | 50% | 0.5 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.3 | -36 | 178 | -21.4 | 32.1 | 0 | 0 | 0 | 112.9 | S27 K35 | S27-P31 WeakPolarHBondContact O-CD 3.48Å; S27-P31 WeakPolarHBondContact O-CG 3.47Å; P31-K35 WeakPolarHBondContact O-CB 3.4Å; P31-K35 PolarHBondContact O-N 3.14Å |
| 32 | T | 59.1 | Low | 56.7 | Low | 86 Ų | 86 | 85.8 Ų | 85.8 | 53% | 0.528 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.6 | -47.1 | -179.5 | -6.8 | 0 | 0 | 0 | 0 | 111 | A28 V29 L30 Y34 K35 E36 | A28-T32 PolarHBondContact O-OG1 3.24Å; V29-T32 PolarHBondContact O-N 2.86Å; V29-T32 PolarHBondContact O-OG1 3.05Å; V29-T32 VanDerWaalsContact O-OG1 3.1Å; L30-T32 VanDerWaalsContact C-N 3.29Å; L30-T32 PolarHBondContact O-N 3.1Å; T32-Y34 VanDerWaalsContact C-N 3.3Å; T32-Y34 PolarHBondContact O-N 3.4Å; T32-K35 WeakPolarHBondContact O-CB 3.4Å; T32-K35 PolarHBondContact O-N 3.32Å; T32-E36 PolarHBondContact O-N 3.42Å |
| 33 | V | 61.2 | Low | 56 | Low | 70 Ų | 70 | 87.1 Ų | 87.1 | 42% | 0.424 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 175.6 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | V29 L30 K35 E36 L37 | V29-V33 HydrophobicContact CG1-CG2 3.8Å; V29-V33 WeakPolarHBondContact O-CG2 3.43Å; V29-V33 PolarHBondContact O-N 2.97Å; L30-V33 PolarHBondContact O-N 3.45Å; V33-K35 PolarHBondContact O-N 3.05Å; V33-E36 PolarHBondContact O-N 3.43Å; V33-L37 HydrophobicContact CG1-CD1 3.89Å; V33-L37 PolarHBondContact O-N 3.07Å |
| 34 | Y | 57.6 | Low | 55.3 | Low | 90 Ų | 90 | 92.3 Ų | 92.3 | 35% | 0.353 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 177.1 | -161.7 | -99.1 | 0 | 0 | 0 | 112.2 | L30 T32 L37 L38 I58 | L30-Y34 WeakPolarHBondContact O-CB 3.49Å; L30-Y34 PolarHBondContact O-N 3.14Å; T32-Y34 VanDerWaalsContact C-N 3.3Å; T32-Y34 PolarHBondContact O-N 3.4Å; Y34-L37 PolarHBondContact O-N 3.33Å; Y34-L38 HydrophobicContact CD1-CD1 3.64Å; Y34-L38 HydrophobicContact CD1-CG 4.41Å; Y34-L38 HydrophobicContact CE1-CD1 3.5Å; Y34-L38 VanDerWaalsContact CE1-CD1 3.5Å; Y34-L38 HydrophobicContact CE1-CG 4.21Å; Y34-L38 PolarHBondContact O-N 3.39Å; Y34-I58 HydrophobicContact CD2-CG2 4.48Å |
| 35 | K | 58 | Low | 54.9 | Low | 153 Ų | 153 | 93 Ų | 93 | 67% | 0.665 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.7 | -45.9 | 174.5 | -111.4 | -177.8 | 176.7 | -179.6 | 0 | 112.1 | P31 T32 V33 L37 L38 L39 | P31-K35 WeakPolarHBondContact O-CB 3.4Å; P31-K35 PolarHBondContact O-N 3.14Å; T32-K35 WeakPolarHBondContact O-CB 3.4Å; T32-K35 PolarHBondContact O-N 3.32Å; V33-K35 PolarHBondContact O-N 3.05Å; K35-L37 VanDerWaalsContact C-N 3.34Å; K35-L37 PolarHBondContact O-N 2.99Å; K35-L38 PolarHBondContact O-N 3.42Å; K35-L39 WeakPolarHBondContact O-CB 3.48Å; K35-L39 PolarHBondContact O-N 3.48Å |
| 36 | E | 55.1 | Low | 54.4 | Low | 125 Ų | 125 | 95.7 Ų | 95.7 | 58% | 0.584 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63 | -40.2 | 178 | -85.4 | -163 | 158.1 | 0 | 0 | 112.5 | T32 V33 L39 K40 | T32-E36 PolarHBondContact O-N 3.42Å; V33-E36 PolarHBondContact O-N 3.43Å; E36-L39 PolarHBondContact O-N 3.31Å; E36-K40 WeakPolarHBondContact O-CB 3.43Å; E36-K40 PolarHBondContact O-N 3.49Å |
| 37 | L | 51.9 | Low | 53.8 | Low | 68 Ų | 68 | 93.4 Ų | 93.4 | 36% | 0.356 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 175.9 | -101.1 | 136 | 0 | 0 | 0 | 111.8 | V33 Y34 K35 L39 N41 I58 | V33-L37 HydrophobicContact CG1-CD1 3.89Å; V33-L37 PolarHBondContact O-N 3.07Å; Y34-L37 PolarHBondContact O-N 3.33Å; K35-L37 VanDerWaalsContact C-N 3.34Å; K35-L37 PolarHBondContact O-N 2.99Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 3.31Å; L37-N41 WeakPolarHBondContact O-CB 3.44Å; L37-N41 VanDerWaalsContact O-CG 3.31Å; L37-N41 PolarHBondContact O-N 3.11Å; L37-I58 HydrophobicContact CD1-CD1 4.42Å |
| 38 | L | 53.3 | Low | 53.2 | Low | 95 Ų | 95 | 99.3 Ų | 99.3 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.4 | -42.1 | 173.3 | -85.9 | 166.3 | 0 | 0 | 0 | 111.9 | Y34 K35 N41 A42 | Y34-L38 HydrophobicContact CD1-CD1 3.64Å; Y34-L38 HydrophobicContact CD1-CG 4.41Å; Y34-L38 HydrophobicContact CE1-CD1 3.5Å; Y34-L38 VanDerWaalsContact CE1-CD1 3.5Å; Y34-L38 HydrophobicContact CE1-CG 4.21Å; Y34-L38 PolarHBondContact O-N 3.39Å; K35-L38 PolarHBondContact O-N 3.42Å; L38-N41 PolarHBondContact O-N 2.93Å; L38-A42 PolarHBondContact O-N 3.32Å |
| 39 | L | 49.3 | Very low | 52.6 | Low | 127 Ų | 127 | 104.4 Ų | 104.4 | 67% | 0.665 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.2 | -44 | -179.4 | -131.2 | 115.9 | 0 | 0 | 0 | 112 | K35 E36 L37 N41 A42 | K35-L39 WeakPolarHBondContact O-CB 3.48Å; K35-L39 PolarHBondContact O-N 3.48Å; E36-L39 PolarHBondContact O-N 3.31Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 3.31Å; L39-N41 PolarHBondContact O-N 3Å; L39-A42 PolarHBondContact O-N 3.14Å |
| 40 | K | 49.1 | Very low | 51.9 | Low | 138 Ų | 138 | 105.5 Ų | 105.5 | 60% | 0.6 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.8 | -34.9 | 174.2 | -79.3 | 178 | 174.5 | 172 | 0 | 111.5 | E36 V43 L44 | E36-K40 WeakPolarHBondContact O-CB 3.43Å; E36-K40 PolarHBondContact O-N 3.49Å; K40-V43 WeakPolarHBondContact O-CB 3.46Å; K40-V43 PolarHBondContact O-N 3.09Å; K40-L44 PolarHBondContact O-N 3.37Å |
| 41 | N | 48.7 | Very low | 51.1 | Low | 55 Ų | 55 | 104.1 Ų | 104.1 | 29% | 0.294 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -74.3 | -30.4 | 177.4 | -78.3 | -13 | 0 | 0 | 0 | 113.9 | L37 L38 L39 V43 L44 | L37-N41 WeakPolarHBondContact O-CB 3.44Å; L37-N41 VanDerWaalsContact O-CG 3.31Å; L37-N41 PolarHBondContact O-N 3.11Å; L38-N41 PolarHBondContact O-N 2.93Å; L39-N41 PolarHBondContact O-N 3Å; N41-V43 PolarHBondContact O-N 3.27Å; N41-V43 VanDerWaalsContact O-N 3.17Å; N41-L44 PolarHBondContact O-N 3.4Å; N41-L44 VanDerWaalsContact O-N 3.16Å |
| 42 | A | 48.9 | Very low | 50.8 | Low | 89 Ų | 89 | 104 Ų | 104 | 74% | 0.736 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.1 | -23.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L38 L39 | L38-A42 PolarHBondContact O-N 3.32Å; L39-A42 PolarHBondContact O-N 3.14Å |
| 43 | V | 48 | Very low | 50.5 | Low | 124 Ų | 124 | 103.5 Ų | 103.5 | 75% | 0.752 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -86.8 | -27.7 | 177.8 | -177.5 | 0 | 0 | 0 | 0 | 112.4 | K40 N41 G45 | K40-V43 WeakPolarHBondContact O-CB 3.46Å; K40-V43 PolarHBondContact O-N 3.09Å; N41-V43 PolarHBondContact O-N 3.27Å; N41-V43 VanDerWaalsContact O-N 3.17Å; V43-G45 PolarHBondContact O-N 2.97Å |
| 44 | L | 45.4 | Very low | 50.1 | Low | 125 Ų | 125 | 103.3 Ų | 103.3 | 65% | 0.654 | 57% | 0.566 | S | S | * | * | trans | -99 | 74.5 | -177.4 | -79.5 | 148.7 | 0 | 0 | 0 | 110.7 | K40 N41 N46 | K40-L44 PolarHBondContact O-N 3.37Å; N41-L44 PolarHBondContact O-N 3.4Å; N41-L44 VanDerWaalsContact O-N 3.16Å; L44-N46 PolarHBondContact O-N 3.43Å | ||
| 45 | G | 49.3 | Very low | 50.1 | Low | 72 Ų | 72 | 102 Ų | 102 | 74% | 0.742 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | 14 | -176.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | V43 | V43-G45 PolarHBondContact O-N 2.97Š|
| 46 | N | 47 | Very low | 50.3 | Low | 169 Ų | 169 | 98.4 Ų | 98.4 | 90% | 0.904 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.5 | 17.9 | -165.5 | -83.6 | -3 | 0 | 0 | 0 | 116.6 | L44 | L44-N46 PolarHBondContact O-N 3.43Š|
| 47 | G | 47.9 | Very low | 50.7 | Low | 21 Ų | 21 | 98.1 Ų | 98.1 | 22% | 0.216 | 55% | 0.554 | C | S | . | * | trans | -149.7 | 61.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | E49 T50 C51 | G47-E49 PolarHBondContact O-N 3.15Å; G47-T50 PolarHBondContact O-OG1 3.37Å; G47-C51 WeakPolarHBondContact O-CB 3.33Å; G47-C51 PolarHBondContact O-N 3.27Å; G47-C51 PolarHBondContact O-SG 2.72Å | ||
| 48 | K | 47.3 | Very low | 51 | Low | 202 Ų | 202 | 97.2 Ų | 97.2 | 88% | 0.878 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.3 | -32.9 | 172.8 | -85.5 | -176.1 | 175.9 | 178 | 0 | 112.6 | ||
| 49 | E | 48.9 | Very low | 51.4 | Low | 169 Ų | 169 | 96.8 Ų | 96.8 | 79% | 0.79 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -80.6 | -40.9 | -176.5 | -64.7 | -175.4 | 174.6 | 0 | 0 | 113.2 | G47 C51 S52 | G47-E49 PolarHBondContact O-N 3.15Å; E49-C51 PolarHBondContact O-N 3.49Å; E49-S52 PolarHBondContact O-N 3.32Å; E49-S52 PolarHBondContact O-OG 2.98Å |
| 50 | T | 46.3 | Very low | 52.4 | Low | 101 Ų | 101 | 99.3 Ų | 99.3 | 62% | 0.62 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67 | -26.2 | 175.3 | 47.9 | 0 | 0 | 0 | 0 | 112.3 | G47 T54 | G47-T50 PolarHBondContact O-OG1 3.37Å; T50-T54 PolarHBondContact O-N 3.41Å; T50-T54 PolarHBondContact O-OG1 3.16Å |
| 51 | C | 43 | Very low | 52.8 | Low | 31 Ų | 31 | 95.1 Ų | 95.1 | 21% | 0.209 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -73.3 | -34.9 | 177.9 | -75.1 | 0 | 0 | 0 | 0 | 114.3 | G47 E49 V53 T54 I55 | G47-C51 WeakPolarHBondContact O-CB 3.33Å; G47-C51 PolarHBondContact O-N 3.27Å; G47-C51 PolarHBondContact O-SG 2.72Å; E49-C51 PolarHBondContact O-N 3.49Å; C51-V53 VanDerWaalsContact C-N 3.25Å; C51-V53 PolarHBondContact O-N 3.49Å; C51-T54 WeakPolarHBondContact CA-OG1 3.39Å; C51-T54 PolarHBondContact O-N 3.47Å; C51-T54 PolarHBondContact O-OG1 2.96Å; C51-T54 VanDerWaalsContact O-OG1 3.12Å; C51-I55 WeakPolarHBondContact O-CG1 3.34Å; C51-I55 PolarHBondContact O-N 2.98Å; C51-I55 VanDerWaalsContact O-N 3.09Å |
| 52 | S | 50.7 | Low | 53.5 | Low | 73 Ų | 73 | 93.8 Ų | 93.8 | 51% | 0.51 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.5 | -34 | -179.3 | 82.4 | 0 | 0 | 0 | 0 | 111.2 | E49 T56 | E49-S52 PolarHBondContact O-N 3.32Å; E49-S52 PolarHBondContact O-OG 2.98Å; S52-T56 VanDerWaalsContact O-CG2 3.28Å; S52-T56 WeakPolarHBondContact O-CG2 3.45Å; S52-T56 PolarHBondContact O-N 3.07Å; S52-T56 PolarHBondContact O-OG1 3.5Å |
| 53 | V | 53.1 | Low | 54.5 | Low | 76 Ų | 76 | 93.5 Ų | 93.5 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.9 | -49.5 | 174.9 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | C51 I55 T56 H57 | C51-V53 VanDerWaalsContact C-N 3.25Å; C51-V53 PolarHBondContact O-N 3.49Å; V53-I55 PolarHBondContact O-N 3.23Å; V53-T56 PolarHBondContact O-N 3Å; V53-T56 PolarHBondContact O-OG1 3Å; V53-H57 PolarHBondContact O-CD2 3.38Å; V53-H57 PolarHBondContact O-N 3.35Å; V53-H57 VanDerWaalsContact O-N 3.11Å |
| 54 | T | 53.9 | Low | 55.6 | Low | 66 Ų | 66 | 94 Ų | 94 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | -177.5 | 47.3 | 0 | 0 | 0 | 0 | 113.3 | T50 C51 H57 I58 | T50-T54 PolarHBondContact O-N 3.41Å; T50-T54 PolarHBondContact O-OG1 3.16Å; C51-T54 WeakPolarHBondContact CA-OG1 3.39Å; C51-T54 PolarHBondContact O-N 3.47Å; C51-T54 PolarHBondContact O-OG1 2.96Å; C51-T54 VanDerWaalsContact O-OG1 3.12Å; T54-H57 PolarHBondContact O-N 3.04Å; T54-I58 WeakPolarHBondContact O-CG1 3.42Å; T54-I58 PolarHBondContact O-N 3.48Å; T54-I58 VanDerWaalsContact O-N 3.14Å |
| 55 | I | 56.7 | Low | 56.4 | Low | 63 Ų | 63 | 90.4 Ų | 90.4 | 32% | 0.323 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 177.4 | -66.7 | 169.9 | 0 | 0 | 0 | 111.1 | C51 V53 H57 I58 D59 | C51-I55 WeakPolarHBondContact O-CG1 3.34Å; C51-I55 PolarHBondContact O-N 2.98Å; C51-I55 VanDerWaalsContact O-N 3.09Å; V53-I55 PolarHBondContact O-N 3.23Å; I55-H57 VanDerWaalsContact C-N 3.31Å; I55-H57 PolarHBondContact O-N 3Å; I55-I58 PolarHBondContact O-N 2.71Å; I55-D59 PolarHBondContact O-N 2.88Å |
| 56 | T | 63.2 | Low | 57.1 | Low | 77 Ų | 77 | 93 Ų | 93 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.7 | -33 | 180 | 52.6 | 0 | 0 | 0 | 0 | 112.9 | S52 V53 R60 | S52-T56 VanDerWaalsContact O-CG2 3.28Å; S52-T56 WeakPolarHBondContact O-CG2 3.45Å; S52-T56 PolarHBondContact O-N 3.07Å; S52-T56 PolarHBondContact O-OG1 3.5Å; V53-T56 PolarHBondContact O-N 3Å; V53-T56 PolarHBondContact O-OG1 3Å; T56-R60 PolarHBondContact O-N 2.97Å |
| 57 | H | 62.2 | Low | 58.1 | Low | 120 Ų | 120 | 89.7 Ų | 89.7 | 56% | 0.556 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.3 | -40.3 | 173.2 | -85 | -97.9 | 0 | 0 | 0 | 112.5 | V53 T54 I55 R60 A61 | V53-H57 PolarHBondContact O-CD2 3.38Å; V53-H57 PolarHBondContact O-N 3.35Å; V53-H57 VanDerWaalsContact O-N 3.11Å; T54-H57 PolarHBondContact O-N 3.04Å; I55-H57 VanDerWaalsContact C-N 3.31Å; I55-H57 PolarHBondContact O-N 3Å; H57-R60 PolarHBondContact O-N 2.97Å; H57-A61 PolarHBondContact O-N 2.92Å; H57-A61 VanDerWaalsContact O-N 3.16Å |
| 58 | I | 59 | Low | 58.9 | Low | 49 Ų | 49 | 94.3 Ų | 94.3 | 25% | 0.251 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.8 | -47 | 177.8 | -67.2 | 166 | 0 | 0 | 0 | 110.7 | Y34 L37 T54 I55 R60 A61 V62 | Y34-I58 HydrophobicContact CD2-CG2 4.48Å; L37-I58 HydrophobicContact CD1-CD1 4.42Å; T54-I58 WeakPolarHBondContact O-CG1 3.42Å; T54-I58 PolarHBondContact O-N 3.48Å; T54-I58 VanDerWaalsContact O-N 3.14Å; I55-I58 PolarHBondContact O-N 2.71Å; I58-R60 VanDerWaalsContact C-N 3.25Å; I58-R60 PolarHBondContact O-N 3.14Å; I58-A61 PolarHBondContact O-N 3.38Å; I58-A61 VanDerWaalsContact O-N 3.13Å; I58-V62 HydrophobicContact CG2-CG2 4.33Å; I58-V62 WeakPolarHBondContact O-CG2 3.39Å; I58-V62 PolarHBondContact O-N 2.98Å |
| 59 | D | 62.7 | Low | 59.4 | Low | 85 Ų | 85 | 87.9 Ų | 87.9 | 46% | 0.455 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.1 | -37.1 | 178.4 | -94.7 | -14.3 | 0 | 0 | 0 | 112.2 | I55 N63 | I55-D59 PolarHBondContact O-N 2.88Å; D59-N63 WeakPolarHBondContact O-CB 3.41Å; D59-N63 VanDerWaalsContact O-CG 3.26Å; D59-N63 PolarHBondContact O-N 3.08Å; D59-N63 PolarHBondContact O-ND2 2.86Å |
| 60 | R | 70 | Confident | 60.2 | Low | 180 Ų | 180 | 82.5 Ų | 82.5 | 68% | 0.679 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.5 | -47.6 | 174.4 | -126.6 | -174.9 | -158.6 | 116 | 0.7 | 111.8 | T56 H57 I58 N63 E64 | T56-R60 PolarHBondContact O-N 2.97Å; H57-R60 PolarHBondContact O-N 2.97Å; I58-R60 VanDerWaalsContact C-N 3.25Å; I58-R60 PolarHBondContact O-N 3.14Å; R60-N63 PolarHBondContact O-N 3.45Å; R60-E64 PolarHBondContact O-N 3.48Å |
| 61 | A | 57.3 | Low | 61.1 | Low | 50 Ų | 50 | 86.7 Ų | 86.7 | 41% | 0.413 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H57 I58 N63 E64 V65 | H57-A61 PolarHBondContact O-N 2.92Å; H57-A61 VanDerWaalsContact O-N 3.16Å; I58-A61 PolarHBondContact O-N 3.38Å; I58-A61 VanDerWaalsContact O-N 3.13Å; A61-N63 VanDerWaalsContact C-N 3.32Å; A61-N63 PolarHBondContact O-N 3.31Å; A61-E64 PolarHBondContact O-N 2.94Å; A61-V65 WeakPolarHBondContact O-CG2 3.42Å; A61-V65 PolarHBondContact O-N 3.32Å; A61-V65 VanDerWaalsContact O-N 3.08Å |
| 62 | V | 63.9 | Low | 61.9 | Low | 28 Ų | 28 | 87.7 Ų | 87.7 | 17% | 0.17 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | L30 I58 V65 K66 | L30-V62 HydrophobicContact CD1-CG2 4.41Å; L30-V62 HydrophobicContact CD2-CG2 3.48Å; L30-V62 VanDerWaalsContact CD2-CG2 3.48Å; I58-V62 HydrophobicContact CG2-CG2 4.33Å; I58-V62 WeakPolarHBondContact O-CG2 3.39Å; I58-V62 PolarHBondContact O-N 2.98Å; V62-V65 PolarHBondContact O-N 2.99Å; V62-K66 HydrophobicContact CG1-CD 4.38Å; V62-K66 WeakPolarHBondContact O-CG 3.47Å; V62-K66 PolarHBondContact O-N 3.37Å |
| 63 | N | 68.6 | Low | 62.1 | Low | 82 Ų | 82 | 87.9 Ų | 87.9 | 44% | 0.439 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.2 | -34.7 | 179.2 | -73.6 | -33.7 | 0 | 0 | 0 | 112.6 | D59 R60 A61 N67 | D59-N63 WeakPolarHBondContact O-CB 3.41Å; D59-N63 VanDerWaalsContact O-CG 3.26Å; D59-N63 PolarHBondContact O-N 3.08Å; D59-N63 PolarHBondContact O-ND2 2.86Å; R60-N63 PolarHBondContact O-N 3.45Å; A61-N63 VanDerWaalsContact C-N 3.32Å; A61-N63 PolarHBondContact O-N 3.31Å; N63-N67 WeakPolarHBondContact O-CB 3.49Å; N63-N67 PolarHBondContact O-N 2.89Å; N63-N67 PolarHBondContact O-ND2 3.37Å |
| 64 | E | 72.2 | Confident | 62.5 | Low | 134 Ų | 134 | 93.2 Ų | 93.2 | 63% | 0.626 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.1 | -47.1 | 170.5 | -93.4 | -172.8 | 150.2 | 0 | 0 | 112.1 | R60 A61 K66 N67 I68 | R60-E64 PolarHBondContact O-N 3.48Å; A61-E64 PolarHBondContact O-N 2.94Å; E64-K66 PolarHBondContact O-N 3.34Å; E64-N67 WeakPolarHBondContact O-CB 3.37Å; E64-N67 PolarHBondContact O-N 3.47Å; E64-N67 VanDerWaalsContact O-N 3.12Å; E64-I68 WeakPolarHBondContact O-CG1 3.14Å; E64-I68 PolarHBondContact O-N 3.08Å |
| 65 | V | 61.1 | Low | 62.7 | Low | 50 Ų | 50 | 94.1 Ų | 94.1 | 30% | 0.303 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 179.7 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | L26 A61 V62 N67 I68 L69 | L26-V65 HydrophobicContact CD2-CG1 4.29Å; A61-V65 WeakPolarHBondContact O-CG2 3.42Å; A61-V65 PolarHBondContact O-N 3.32Å; A61-V65 VanDerWaalsContact O-N 3.08Å; V62-V65 PolarHBondContact O-N 2.99Å; V65-N67 VanDerWaalsContact C-N 3.28Å; V65-N67 PolarHBondContact O-N 3.23Å; V65-I68 PolarHBondContact O-N 3.12Å; V65-L69 HydrophobicContact CG1-CD1 3.92Å; V65-L69 PolarHBondContact O-N 2.96Å |
| 66 | K | 63.5 | Low | 62.2 | Low | 128 Ų | 128 | 91.7 Ų | 91.7 | 56% | 0.557 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -59.3 | -39 | 173.9 | -76.6 | 178.4 | -179.9 | 173.6 | 0 | 112.1 | V62 E64 S70 | V62-K66 HydrophobicContact CG1-CD 4.38Å; V62-K66 WeakPolarHBondContact O-CG 3.47Å; V62-K66 PolarHBondContact O-N 3.37Å; E64-K66 PolarHBondContact O-N 3.34Å; K66-S70 WeakPolarHBondContact O-CB 3.44Å; K66-S70 PolarHBondContact O-N 3.41Å; K66-S70 PolarHBondContact O-OG 3.01Å |
| 67 | N | 69 | Low | 61.7 | Low | 98 Ų | 98 | 96.9 Ų | 96.9 | 52% | 0.524 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.5 | -38 | 177.2 | -78.3 | -23.7 | 0 | 0 | 0 | 112.6 | N63 E64 V65 S70 R71 | N63-N67 WeakPolarHBondContact O-CB 3.49Å; N63-N67 PolarHBondContact O-N 2.89Å; N63-N67 PolarHBondContact O-ND2 3.37Å; E64-N67 WeakPolarHBondContact O-CB 3.37Å; E64-N67 PolarHBondContact O-N 3.47Å; E64-N67 VanDerWaalsContact O-N 3.12Å; V65-N67 VanDerWaalsContact C-N 3.28Å; V65-N67 PolarHBondContact O-N 3.23Å; N67-S70 PolarHBondContact O-OG 2.98Å; N67-S70 VanDerWaalsContact O-OG 3.04Å; N67-R71 WeakPolarHBondContact O-CG 3.27Å; N67-R71 PolarHBondContact O-N 3.48Å |
| 68 | I | 63.9 | Low | 61.4 | Low | 119 Ų | 119 | 97.5 Ų | 97.5 | 61% | 0.61 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.4 | -46.5 | 175.6 | -65.8 | 165.7 | 0 | 0 | 0 | 110.7 | E64 V65 S70 R71 S72 | E64-I68 WeakPolarHBondContact O-CG1 3.14Å; E64-I68 PolarHBondContact O-N 3.08Å; V65-I68 PolarHBondContact O-N 3.12Å; I68-S70 PolarHBondContact O-N 3.44Å; I68-R71 PolarHBondContact O-N 2.92Å; I68-S72 PolarHBondContact O-N 3.37Å |
| 69 | L | 58.3 | Low | 61.1 | Low | 67 Ų | 67 | 99.2 Ų | 99.2 | 35% | 0.351 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 177.1 | -88.7 | 153.4 | 0 | 0 | 0 | 112.2 | V65 R71 S72 N73 | V65-L69 HydrophobicContact CG1-CD1 3.92Å; V65-L69 PolarHBondContact O-N 2.96Å; L69-R71 PolarHBondContact O-N 3Å; L69-S72 PolarHBondContact O-N 3.05Å; L69-N73 WeakPolarHBondContact O-CB 3.42Å; L69-N73 PolarHBondContact O-N 2.94Å |
| 70 | S | 66.3 | Low | 60.2 | Low | 55 Ų | 55 | 101.3 Ų | 101.3 | 39% | 0.385 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.6 | -35.4 | 179.4 | 70.6 | 0 | 0 | 0 | 0 | 112.8 | K66 N67 I68 R74 | K66-S70 WeakPolarHBondContact O-CB 3.44Å; K66-S70 PolarHBondContact O-N 3.41Å; K66-S70 PolarHBondContact O-OG 3.01Å; N67-S70 PolarHBondContact O-OG 2.98Å; N67-S70 VanDerWaalsContact O-OG 3.04Å; I68-S70 PolarHBondContact O-N 3.44Å; S70-R74 PolarHBondContact O-N 3.18Å; S70-R74 VanDerWaalsContact O-N 3.15Å |
| 71 | R | 65.1 | Low | 59.1 | Low | 189 Ų | 189 | 96.6 Ų | 96.6 | 71% | 0.713 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.2 | -49.9 | 171.9 | -77.5 | 179.2 | 178.5 | -178.9 | 0.8 | 111.3 | N67 I68 L69 N73 R74 T75 | N67-R71 WeakPolarHBondContact O-CG 3.27Å; N67-R71 PolarHBondContact O-N 3.48Å; I68-R71 PolarHBondContact O-N 2.92Å; L69-R71 PolarHBondContact O-N 3Å; R71-N73 VanDerWaalsContact C-N 3.29Å; R71-N73 PolarHBondContact O-N 2.99Å; R71-R74 PolarHBondContact O-N 3.23Å; R71-R74 VanDerWaalsContact O-N 3.14Å; R71-T75 PolarHBondContact O-N 2.95Å; R71-T75 PolarHBondContact O-OG1 3.13Å |
| 72 | S | 58.7 | Low | 58.8 | Low | 52 Ų | 52 | 100.8 Ų | 100.8 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -55.8 | -44.2 | 178.4 | -174.9 | 0 | 0 | 0 | 0 | 112 | I68 L69 R74 T75 A76 | I68-S72 PolarHBondContact O-N 3.37Å; L69-S72 PolarHBondContact O-N 3.05Å; S72-R74 PolarHBondContact O-N 3.02Å; S72-T75 PolarHBondContact O-N 3.44Å; S72-A76 WeakPolarHBondContact O-CB 3.42Å; S72-A76 PolarHBondContact O-N 3.31Å |
| 73 | N | 55.3 | Low | 57.9 | Low | 78 Ų | 78 | 103 Ų | 103 | 42% | 0.417 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.5 | -32.6 | -179.2 | -146.1 | 0.1 | 0 | 0 | 0 | 112.7 | L69 R71 R77 | L69-N73 WeakPolarHBondContact O-CB 3.42Å; L69-N73 PolarHBondContact O-N 2.94Å; R71-N73 VanDerWaalsContact C-N 3.29Å; R71-N73 PolarHBondContact O-N 2.99Å; N73-R77 WeakPolarHBondContact O-CG 3.43Å; N73-R77 PolarHBondContact O-N 3.5Å; N73-R77 VanDerWaalsContact O-N 3.16Å |
| 74 | R | 62.4 | Low | 56.7 | Low | 187 Ų | 187 | 104.2 Ų | 104.2 | 71% | 0.706 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.7 | -45.8 | 171.3 | -79 | -171.9 | -163.6 | 178.7 | 5.3 | 111.8 | S70 R71 S72 A76 R77 Q78 | S70-R74 PolarHBondContact O-N 3.18Å; S70-R74 VanDerWaalsContact O-N 3.15Å; R71-R74 PolarHBondContact O-N 3.23Å; R71-R74 VanDerWaalsContact O-N 3.14Å; S72-R74 PolarHBondContact O-N 3.02Å; R74-A76 VanDerWaalsContact C-N 3.28Å; R74-A76 PolarHBondContact O-N 3.35Å; R74-R77 PolarHBondContact O-N 3.37Å; R74-Q78 PolarHBondContact O-N 2.99Å |
| 75 | T | 57 | Low | 55.1 | Low | 86 Ų | 86 | 102.4 Ų | 102.4 | 53% | 0.528 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 179.4 | -41.5 | 0 | 0 | 0 | 0 | 110.4 | R71 S72 Q78 T79 | R71-T75 PolarHBondContact O-N 2.95Å; R71-T75 PolarHBondContact O-OG1 3.13Å; S72-T75 PolarHBondContact O-N 3.44Å; T75-Q78 PolarHBondContact O-N 3.16Å; T75-T79 PolarHBondContact O-N 3.33Å; T75-T79 VanDerWaalsContact O-N 3.1Å; T75-T79 PolarHBondContact O-OG1 3.3Å |
| 76 | A | 45.9 | Very low | 54 | Low | 12 Ų | 12 | 104.3 Ų | 104.3 | 10% | 0.099 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -61.4 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L16 S72 R74 Q78 T79 Y80 | L16-A76 HydrophobicContact CD1-CB 4.03Å; L16-A76 HydrophobicContact CD2-CB 3.65Å; L16-A76 HydrophobicContact CG-CB 4.27Å; S72-A76 WeakPolarHBondContact O-CB 3.42Å; S72-A76 PolarHBondContact O-N 3.31Å; R74-A76 VanDerWaalsContact C-N 3.28Å; R74-A76 PolarHBondContact O-N 3.35Å; A76-Q78 VanDerWaalsContact C-N 3.33Å; A76-Q78 PolarHBondContact O-N 2.93Å; A76-T79 WeakPolarHBondContact CA-OG1 3.44Å; A76-T79 PolarHBondContact O-N 3.2Å; A76-T79 PolarHBondContact O-OG1 3.03Å; A76-T79 VanDerWaalsContact O-OG1 3.09Å; A76-Y80 WeakPolarHBondContact O-CD2 3.48Å; A76-Y80 PolarHBondContact O-N 3.4Å; A76-Y80 VanDerWaalsContact O-N 3.14Å |
| 77 | R | 53.2 | Low | 52.9 | Low | 186 Ų | 186 | 103.4 Ų | 103.4 | 70% | 0.702 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.6 | -37.2 | 177.2 | -77.4 | -178.2 | 178.6 | 176.4 | -0.9 | 112.4 | N73 R74 Y80 A81 | N73-R77 WeakPolarHBondContact O-CG 3.43Å; N73-R77 PolarHBondContact O-N 3.5Å; N73-R77 VanDerWaalsContact O-N 3.16Å; R74-R77 PolarHBondContact O-N 3.37Å; R77-Y80 PolarHBondContact O-N 3.04Å; R77-A81 WeakPolarHBondContact O-CB 3.37Å; R77-A81 PolarHBondContact O-N 2.92Å |
| 78 | Q | 55.4 | Low | 51.5 | Low | 133 Ų | 133 | 102 Ų | 102 | 62% | 0.621 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.5 | -38 | 177.1 | -74.1 | 179.5 | -23 | 0 | 0 | 112.4 | R74 T75 A76 | R74-Q78 PolarHBondContact O-N 2.99Å; T75-Q78 PolarHBondContact O-N 3.16Å; A76-Q78 VanDerWaalsContact C-N 3.33Å; A76-Q78 PolarHBondContact O-N 2.93Å |
| 79 | T | 53.2 | Low | 50.1 | Low | 84 Ų | 84 | 102.1 Ų | 102.1 | 52% | 0.515 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.4 | -37.2 | 174.6 | 16 | 0 | 0 | 0 | 0 | 112.5 | T75 A76 | T75-T79 PolarHBondContact O-N 3.33Å; T75-T79 VanDerWaalsContact O-N 3.1Å; T75-T79 PolarHBondContact O-OG1 3.3Å; A76-T79 WeakPolarHBondContact CA-OG1 3.44Å; A76-T79 PolarHBondContact O-N 3.2Å; A76-T79 PolarHBondContact O-OG1 3.03Å; A76-T79 VanDerWaalsContact O-OG1 3.09Å |
| 80 | Y | 44 | Very low | 49.1 | Very low | 130 Ų | 130 | 107.8 Ų | 107.8 | 51% | 0.51 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -73.8 | -34.1 | 176.5 | -87.3 | -81.7 | 0 | 0 | 0 | 113.7 | L16 A76 R77 N82 V83 | L16-Y80 HydrophobicContact CD1-CE2 3.83Å; A76-Y80 WeakPolarHBondContact O-CD2 3.48Å; A76-Y80 PolarHBondContact O-N 3.4Å; A76-Y80 VanDerWaalsContact O-N 3.14Å; R77-Y80 PolarHBondContact O-N 3.04Å; Y80-N82 PolarHBondContact O-N 2.96Å; Y80-V83 PolarHBondContact O-N 3.5Å |
| 81 | A | 47.7 | Very low | 47.6 | Very low | 81 Ų | 81 | 110.9 Ų | 110.9 | 67% | 0.669 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.6 | -27.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R77 | R77-A81 WeakPolarHBondContact O-CB 3.37Å; R77-A81 PolarHBondContact O-N 2.92Å |
| 82 | N | 49.5 | Very low | 46.2 | Very low | 137 Ų | 137 | 107.9 Ų | 107.9 | 73% | 0.733 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 7.2 | 179.5 | -71.2 | -21.8 | 0 | 0 | 0 | 113.9 | Y80 P84 | Y80-N82 PolarHBondContact O-N 2.96Å; N82-P84 WeakPolarHBondContact O-CD 3.39Å |
| 83 | V | 45.5 | Very low | 44.9 | Very low | 76 Ų | 76 | 108.1 Ų | 108.1 | 46% | 0.461 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -80.5 | 108.5 | 170.6 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | Y80 A85 | Y80-V83 PolarHBondContact O-N 3.5Å; V83-A85 PolarHBondContact O-N 2.95Å |
| 84 | P | 43.2 | Very low | 43.9 | Very low | 107 Ų | 107 | 113 Ų | 113 | 70% | 0.695 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 131.5 | 175.9 | 23.4 | -31.9 | 0 | 0 | 0 | 109 | N82 A86 | N82-P84 WeakPolarHBondContact O-CD 3.39Å; P84-A86 PolarHBondContact O-N 3.43Å |
| 85 | A | 39.3 | Very low | 42.5 | Very low | 95 Ų | 95 | 114 Ų | 114 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 118.1 | 168 | 0 | 0 | 0 | 0 | 0 | 107.2 | V83 P87 | V83-A85 PolarHBondContact O-N 2.95Å; A85-P87 WeakPolarHBondContact O-CD 3.16Å; A85-P87 VanDerWaalsContact O-N 3.14Å |
| 86 | A | 37.8 | Very low | 41.2 | Very low | 91 Ų | 91 | 112.4 Ų | 112.4 | 75% | 0.752 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 122.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | P84 G88 | P84-A86 PolarHBondContact O-N 3.43Å; A86-G88 VanDerWaalsContact C-N 3.33Å; A86-G88 PolarHBondContact O-N 3.46Å |
| 87 | P | 40.5 | Very low | 40.7 | Very low | 108 Ų | 108 | 117.5 Ų | 117.5 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | trans | -69.7 | 97.3 | 174.7 | 25 | -27.9 | 0 | 0 | 0 | 107.5 | A85 T89 | A85-P87 WeakPolarHBondContact O-CD 3.16Å; A85-P87 VanDerWaalsContact O-N 3.14Å; P87-T89 HydrophobicContact CB-CG2 4.47Å; P87-T89 PolarHBondContact O-N 3.17Å; P87-T89 PolarHBondContact O-OG1 3.11Å | ||
| 88 | G | 39.2 | Very low | 39.5 | Very low | 69 Ų | 69 | 116.1 Ų | 116.1 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | trans | -68.3 | 69.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109 | A86 F90 | A86-G88 VanDerWaalsContact C-N 3.33Å; A86-G88 PolarHBondContact O-N 3.46Å; G88-F90 VanDerWaalsContact C-N 3.34Å; G88-F90 PolarHBondContact O-N 3.4Å; G88-F90 VanDerWaalsContact O-N 3.09Å | ||
| 89 | T | 35.3 | Very low | 38.4 | Very low | 121 Ų | 121 | 116.3 Ų | 116.3 | 74% | 0.742 | 70% | 0.704 | S | S | * | * | trans | -71.6 | 91.1 | 165.5 | 36.2 | 0 | 0 | 0 | 0 | 107.9 | P87 | P87-T89 HydrophobicContact CB-CG2 4.47Å; P87-T89 PolarHBondContact O-N 3.17Å; P87-T89 PolarHBondContact O-OG1 3.11Å | ||
| 90 | F | 37.6 | Very low | 37.1 | Very low | 186 Ų | 186 | 120.9 Ų | 120.9 | 82% | 0.816 | 72% | 0.72 | S | S | * | * | trans | -73.4 | 127.3 | 153.1 | -77.2 | -83.9 | 0 | 0 | 0 | 107.4 | G88 P92 | G88-F90 VanDerWaalsContact C-N 3.34Å; G88-F90 PolarHBondContact O-N 3.4Å; G88-F90 VanDerWaalsContact O-N 3.09Å; F90-P92 VanDerWaalsContact O-CD 3.29Å; F90-P92 WeakPolarHBondContact O-CD 3.49Å | ||
| 91 | P | 34.9 | Very low | 36.7 | Very low | 121 Ų | 121 | 123 Ų | 123 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | trans | -67.4 | 121.1 | -179.1 | 25.3 | -31.3 | 0 | 0 | 0 | 110.3 | ||||
| 92 | P | 35.3 | Very low | 35.8 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | trans | -88.6 | 109.3 | 169.7 | 31.5 | -22.8 | 0 | 0 | 0 | 107.9 | F90 | F90-P92 VanDerWaalsContact O-CD 3.29Å; F90-P92 WeakPolarHBondContact O-CD 3.49Å | ||
| 93 | G | 30.9 | Very low | 35.2 | Very low | 57 Ų | 57 | 122.5 Ų | 122.5 | 59% | 0.588 | 73% | 0.73 | S | S | * | * | trans | 165.8 | 61.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 94 | L | 34.1 | Very low | 34.5 | Very low | 181 Ų | 181 | 128.6 Ų | 128.6 | 95% | 0.948 | 75% | 0.754 | S | S | * | * | trans | -141.7 | 69.1 | 149 | -79.2 | 176.1 | 0 | 0 | 0 | 108.2 | G96 | L94-G96 PolarHBondContact O-N 3.38Š| ||
| 95 | Y | 32.1 | Very low | 34.3 | Very low | 207 Ų | 207 | 126.4 Ų | 126.4 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | -78.4 | 94.5 | 164.6 | -82.8 | -87.3 | 0 | 0 | 0 | 108.1 | ||||
| 96 | G | 31.2 | Very low | 34.4 | Very low | 54 Ų | 54 | 127.1 Ų | 127.1 | 56% | 0.557 | 75% | 0.746 | S | S | * | * | trans | -71.6 | 156.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110 | L94 Q98 | L94-G96 PolarHBondContact O-N 3.38Å; G96-Q98 PolarHBondContact O-N 3.14Å | ||
| 97 | P | 34.4 | Very low | 34.5 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | trans | -61.4 | 133.6 | -161.5 | 27.4 | -34 | 0 | 0 | 0 | 111.1 | I99 | P97-I99 VanDerWaalsContact C-N 3.31Å; P97-I99 PolarHBondContact O-N 3.2Å | ||
| 98 | Q | 28.1 | Very low | 34.9 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | trans | -64.8 | 89.5 | 176.7 | -66.3 | -174.2 | 0.7 | 0 | 0 | 109.2 | G96 Q100 | G96-Q98 PolarHBondContact O-N 3.14Å; Q98-Q100 PolarHBondContact O-N 3.43Å; Q98-Q100 VanDerWaalsContact O-N 3.09Å | ||
| 99 | I | 31.9 | Very low | 35.4 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 70% | 0.697 | 73% | 0.732 | S | S | * | * | trans | -75.9 | 102.1 | 166.1 | -56.5 | 176.2 | 0 | 0 | 0 | 105.8 | P97 F101 | P97-I99 VanDerWaalsContact C-N 3.31Å; P97-I99 PolarHBondContact O-N 3.2Å; I99-F101 VanDerWaalsContact C-N 3.26Å; I99-F101 HydrophobicContact CG2-CD2 4.09Å; I99-F101 HydrophobicContact CG2-CE2 3.95Å; I99-F101 PolarHBondContact O-N 3.24Å | ||
| 100 | Q | 26.4 | Very low | 36.4 | Very low | 180 Ų | 180 | 126.4 Ų | 126.4 | 84% | 0.841 | 70% | 0.702 | S | S | * | * | trans | -70.9 | 75.4 | -173.9 | -164.4 | 160.1 | 0.6 | 0 | 0 | 109.9 | Q98 G102 | Q98-Q100 PolarHBondContact O-N 3.43Å; Q98-Q100 VanDerWaalsContact O-N 3.09Å; Q100-G102 PolarHBondContact O-N 2.98Å | ||
| 101 | F | 35 | Very low | 37.3 | Very low | 175 Ų | 175 | 120 Ų | 120 | 77% | 0.768 | 68% | 0.68 | S | S | * | * | trans | -73.2 | 84.3 | 158.9 | -81.9 | -75.7 | 0 | 0 | 0 | 108.1 | I99 M103 | I99-F101 VanDerWaalsContact C-N 3.26Å; I99-F101 HydrophobicContact CG2-CD2 4.09Å; I99-F101 HydrophobicContact CG2-CE2 3.95Å; I99-F101 PolarHBondContact O-N 3.24Å; F101-M103 PolarHBondContact O-N 3.01Å | ||
| 102 | G | 29.2 | Very low | 38.7 | Very low | 63 Ų | 63 | 123.5 Ų | 123.5 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | trans | -64.3 | 83.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q100 | Q100-G102 PolarHBondContact O-N 2.98Š| ||
| 103 | M | 37.5 | Very low | 40.2 | Very low | 145 Ų | 145 | 121 Ų | 121 | 71% | 0.714 | 66% | 0.662 | S | S | * | * | trans | -117.8 | 70.5 | 152.5 | -69.7 | -166.7 | -178.5 | 0 | 0 | 107.3 | F101 G105 | F101-M103 PolarHBondContact O-N 3.01Å; M103-G105 PolarHBondContact O-N 2.97Å; M103-G105 VanDerWaalsContact O-N 3.14Å | ||
| 104 | Q | 31.6 | Very low | 42 | Very low | 203 Ų | 203 | 118.6 Ų | 118.6 | 95% | 0.949 | 64% | 0.637 | S | S | * | * | trans | -65.7 | 101.3 | 155.5 | -73.5 | 177.4 | -1.5 | 0 | 0 | 106.5 | ||||
| 105 | G | 37.6 | Very low | 44 | Very low | 62 Ų | 62 | 113.6 Ų | 113.6 | 64% | 0.639 | 62% | 0.615 | S | S | * | * | trans | 128.5 | 66.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M103 | M103-G105 PolarHBondContact O-N 2.97Å; M103-G105 VanDerWaalsContact O-N 3.14Å | ||
| 106 | T | 41.5 | Very low | 46.1 | Very low | 110 Ų | 110 | 107.8 Ų | 107.8 | 68% | 0.675 | 60% | 0.603 | S | S | * | * | -150.1 | 146.2 | 102.3 | 38.1 | 0 | 0 | 0 | 0 | 105.7 | V108 | T106-V108 WeakPolarHBondContact O-CG2 3.28Å; T106-V108 PolarHBondContact O-N 3.46Å | |||
| 107 | D | 40.8 | Very low | 48.2 | Very low | 142 Ų | 142 | 105.8 Ų | 105.8 | 76% | 0.759 | 58% | 0.582 | S | S | * | * | trans | -58.5 | 83 | 156.4 | -175.5 | 23.2 | 0 | 0 | 0 | 104.7 | Q109 | D107-Q109 PolarHBondContact O-N 3.31Š| ||
| 108 | V | 49.2 | Very low | 50.4 | Low | 84 Ų | 84 | 108.1 Ų | 108.1 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | trans | -66.9 | 97.2 | -176.5 | -168.3 | 0 | 0 | 0 | 0 | 102.9 | T106 C110 | T106-V108 WeakPolarHBondContact O-CG2 3.28Å; T106-V108 PolarHBondContact O-N 3.46Å; V108-C110 HydrophobicContact CG1-CB 3.69Å; V108-C110 WeakPolarHBondContact CG1-SG 3.44Å; V108-C110 PolarHBondContact O-N 3.25Å | ||
| 109 | Q | 49.6 | Very low | 52.9 | Low | 130 Ų | 130 | 104.5 Ų | 104.5 | 61% | 0.607 | 57% | 0.573 | S | S | * | * | trans | -63.1 | 24 | 178.1 | -75.2 | 177.5 | -18.7 | 0 | 0 | 111.7 | D107 C111 | D107-Q109 PolarHBondContact O-N 3.31Å; Q109-C111 PolarHBondContact O-N 2.96Å; Q109-C111 VanDerWaalsContact O-N 3.1Å | ||
| 110 | C | 56 | Low | 55.1 | Low | 18 Ų | 18 | 98.3 Ų | 98.3 | 12% | 0.122 | 54% | 0.542 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -20.8 | -167.1 | -99.2 | 0 | 0 | 0 | 0 | 113.3 | V108 G196 L197 | V108-C110 HydrophobicContact CG1-CB 3.69Å; V108-C110 WeakPolarHBondContact CG1-SG 3.44Å; V108-C110 PolarHBondContact O-N 3.25Å; C110-G196 WeakPolarHBondContact O-CA 3.43Å; C110-G196 PolarHBondContact O-N 3.42Å; C110-G196 WeakPolarHBondContact SG-CA 3.47Å; C110-L197 PolarHBondContact SG-N 3.28Å |
| 111 | C | 56 | Low | 57.7 | Low | 51 Ų | 51 | 93 Ų | 93 | 35% | 0.345 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.2 | 20.7 | -163 | -28.9 | 0 | 0 | 0 | 0 | 113.2 | Q109 P113 I256 | Q109-C111 PolarHBondContact O-N 2.96Å; Q109-C111 VanDerWaalsContact O-N 3.1Å; C111-P113 VanDerWaalsContact O-CD 3.23Å; C111-P113 WeakPolarHBondContact O-CD 3.49Å; C111-P113 VanDerWaalsContact O-N 3.08Å; C111-I256 HydrophobicContact CB-CD1 3.83Å; C111-I256 HydrophobicContact CB-CG1 4.17Å; C111-I256 WeakPolarHBondContact SG-CD1 3.28Å; C111-I256 WeakPolarHBondContact SG-CG1 3.39Å |
| 112 | R | 64.4 | Low | 59.9 | Low | 194 Ų | 194 | 89.4 Ų | 89.4 | 73% | 0.732 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 122.4 | -178 | -162.2 | 172 | -173.2 | 163.6 | 2.3 | 107.8 | G114 G193 | R112-G114 PolarHBondContact O-N 3.23Å; R112-G193 WeakPolarHBondContact O-CA 3.31Å |
| 113 | P | 67.3 | Low | 62.2 | Low | 74 Ų | 74 | 86.9 Ų | 86.9 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 140.6 | 174.4 | -25.5 | 34.4 | 0 | 0 | 0 | 109.2 | C111 L259 | C111-P113 VanDerWaalsContact O-CD 3.23Å; C111-P113 WeakPolarHBondContact O-CD 3.49Å; C111-P113 VanDerWaalsContact O-N 3.08Å; P113-L259 HydrophobicContact CB-CB 4.3Å; P113-L259 HydrophobicContact CG-CD1 4.44Å |
| 114 | G | 68.8 | Low | 64.4 | Low | 6 Ų | 6 | 86.5 Ų | 86.5 | 6% | 0.062 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 153.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | R112 I191 L259 G261 | R112-G114 PolarHBondContact O-N 3.23Å; G114-I191 WeakPolarHBondContact CA-O 3.5Å; G114-L259 PolarHBondContact N-O 3Å; G114-G261 WeakPolarHBondContact O-CA 3.45Å |
| 115 | P | 75.5 | Confident | 66.9 | Low | 75 Ų | 75 | 82.1 Ų | 82.1 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -56 | 145.6 | 179.4 | 21.5 | -32.3 | 0 | 0 | 0 | 110.7 | G190 I191 | P115-G190 WeakPolarHBondContact O-CA 3.14Å; P115-I191 VanDerWaalsContact CD-CG1 3.46Å; P115-I191 HydrophobicContact CG-CD1 3.53Å; P115-I191 HydrophobicContact CG-CG1 3.55Å |
| 116 | P | 76.2 | Confident | 68.7 | Low | 86 Ų | 86 | 79.7 Ų | 79.7 | 56% | 0.558 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -50.7 | 145.6 | 172.5 | -26.8 | 35 | 0 | 0 | 0 | 111.7 | I262 | P116-I262 HydrophobicContact CB-CD1 4.1Å; P116-I262 HydrophobicContact CB-CG1 3.65Å; P116-I262 HydrophobicContact CG-CD1 4.15Å; P116-I262 HydrophobicContact CG-CG1 3.95Å |
| 117 | G | 75.2 | Confident | 70.7 | Confident | 12 Ų | 12 | 81 Ų | 81 | 12% | 0.124 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 156 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | F188 I262 G264 | G117-F188 WeakPolarHBondContact CA-O 3.44Å; G117-I262 PolarHBondContact N-O 3.46Å; G117-G264 WeakPolarHBondContact O-CA 3.38Å |
| 118 | F | 80.6 | Confident | 72.7 | Confident | 166 Ų | 166 | 81 Ų | 81 | 73% | 0.728 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 138.5 | 177.6 | -62.8 | -76.2 | 0 | 0 | 0 | 110.8 | G187 F188 | F118-G187 CarbonylContact O-C 3.6Å; F118-G187 VanDerWaalsContact O-CA 3.27Å; F118-G187 WeakPolarHBondContact O-CA 3.33Å; F118-F188 HydrophobicContact CB-CD2 4.41Å; F118-F188 PolarHBondContact O-N 2.99Å |
| 119 | S | 80.4 | Confident | 73.9 | Confident | 83 Ų | 83 | 77.5 Ų | 77.5 | 58% | 0.58 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 147.1 | 171.7 | 52.5 | 0 | 0 | 0 | 0 | 110.9 | H265 | S119-H265 WeakPolarHBondContact CA-O 3.42Š|
| 120 | G | 77.3 | Confident | 75.6 | Confident | 5 Ų | 5 | 78.6 Ų | 78.6 | 5% | 0.052 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 149.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G187 H265 G267 | G120-G187 VanDerWaalsContact N-CA 3.28Å; G120-H265 PolarHBondContact N-O 3.33Å; G120-G267 WeakPolarHBondContact O-CA 3.36Å |
| 121 | P | 82 | Confident | 76.8 | Confident | 69 Ų | 69 | 81.8 Ų | 81.8 | 45% | 0.448 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 150.5 | 172.1 | 26.1 | -35.4 | 0 | 0 | 0 | 110.5 | A184 P185 | P121-A184 WeakPolarHBondContact O-CB 3.37Å; P121-P185 HydrophobicContact CG-CG 3.49Å; P121-P185 VanDerWaalsContact CG-CG 3.49Å |
| 122 | P | 80.5 | Confident | 77.6 | Confident | 99 Ų | 99 | 79.9 Ų | 79.9 | 64% | 0.643 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 149.4 | 174.7 | -22.3 | 32.7 | 0 | 0 | 0 | 112.2 | ||
| 123 | G | 78.5 | Confident | 78.5 | Confident | 11 Ų | 11 | 77.3 Ų | 77.3 | 11% | 0.113 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 156.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I182 F268 | G123-I182 CarbonylContact C-O 3.56Å; G123-I182 VanDerWaalsContact CA-O 3.23Å; G123-I182 WeakPolarHBondContact CA-O 3.27Å; G123-F268 PolarHBondContact N-O 3.18Å |
| 124 | Q | 83.7 | Confident | 79.2 | Confident | 137 Ų | 137 | 78 Ų | 78 | 64% | 0.64 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -79.2 | 134 | 176.3 | -63.6 | -178.3 | 6.9 | 0 | 0 | 109.7 | G181 I182 | Q124-G181 CarbonylContact O-C 3.52Å; Q124-G181 VanDerWaalsContact O-CA 3.28Å; Q124-G181 WeakPolarHBondContact O-CA 3.41Å; Q124-I182 HydrophobicContact CB-CB 4.21Å; Q124-I182 HydrophobicContact CB-CD1 4.26Å; Q124-I182 HydrophobicContact CB-CG1 4.42Å; Q124-I182 PolarHBondContact N-O 3Å; Q124-I182 PolarHBondContact O-N 3.47Å |
| 125 | N | 83.3 | Confident | 79.4 | Confident | 110 Ų | 110 | 78.3 Ų | 78.3 | 59% | 0.588 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 148.1 | 174.6 | -68 | -15.6 | 0 | 0 | 0 | 110.6 | Q271 | N125-Q271 PolarHBondContact OD1-N 2.95Š|
| 126 | G | 76.9 | Confident | 79.8 | Confident | 11 Ų | 11 | 81.9 Ų | 81.9 | 11% | 0.113 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 151.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L179 Q271 | G126-L179 VanDerWaalsContact CA-O 3.27Å; G126-L179 WeakPolarHBondContact CA-O 3.2Å; G126-Q271 PolarHBondContact N-O 3.06Å |
| 127 | E | 82.5 | Confident | 80 | Confident | 138 Ų | 138 | 81.2 Ų | 81.2 | 65% | 0.645 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 145 | 176.8 | -61.7 | -171.5 | 162.2 | 0 | 0 | 111.4 | G178 L179 G273 | E127-G178 CarbonylContact O-C 3.56Å; E127-G178 VanDerWaalsContact O-CA 3.27Å; E127-G178 WeakPolarHBondContact O-CA 3.27Å; E127-L179 HydrophobicContact CB-CB 4.43Å; E127-L179 HydrophobicContact CB-CD1 4.31Å; E127-L179 PolarHBondContact O-N 3Å; E127-G273 WeakPolarHBondContact O-CA 3.5Å |
| 128 | H | 82.7 | Confident | 79.7 | Confident | 142 Ų | 142 | 81.3 Ų | 81.3 | 66% | 0.657 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -68 | 143.2 | 177.8 | -62.9 | -176.4 | 0 | 0 | 0 | 110.8 | V274 | H128-V274 HydrophobicContact CB-CG2 4.2Š|
| 129 | G | 75.1 | Confident | 79.5 | Confident | 10 Ų | 10 | 79.2 Ų | 79.2 | 10% | 0.103 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 147.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D176 V274 G276 | G129-D176 WeakPolarHBondContact CA-O 3.46Å; G129-V274 PolarHBondContact N-O 2.79Å; G129-G276 WeakPolarHBondContact O-CA 3.28Å |
| 130 | K | 84.5 | Confident | 79.1 | Confident | 154 Ų | 154 | 78.9 Ų | 78.9 | 67% | 0.67 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 143.3 | 178.4 | -66.1 | -178.5 | -177.4 | 175.8 | 0 | 110.5 | G175 D176 | K130-G175 WeakPolarHBondContact O-CA 3.19Å; K130-D176 PolarHBondContact O-N 3.27Å |
| 131 | P | 80.3 | Confident | 78.4 | Confident | 85 Ų | 85 | 79.3 Ų | 79.3 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -56 | 148.2 | 171.2 | -24.5 | 34.4 | 0 | 0 | 0 | 111.8 | P277 | P131-P277 HydrophobicContact CB-CG 4.03Å; P131-P277 HydrophobicContact CG-CG 4.13Å |
| 132 | G | 73.3 | Confident | 77.3 | Confident | 10 Ų | 10 | 79 Ų | 79 | 10% | 0.103 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 155.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P173 P277 G279 | G132-P173 WeakPolarHBondContact CA-O 3.47Å; G132-P277 PolarHBondContact N-O 3.25Å; G132-G279 WeakPolarHBondContact O-CA 3.19Å |
| 133 | H | 84.4 | Confident | 76.2 | Confident | 141 Ų | 141 | 78.1 Ų | 78.1 | 65% | 0.653 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 153.6 | 174.6 | -56.8 | 89.6 | 0 | 0 | 0 | 110.8 | G172 P173 G279 | H133-G172 WeakPolarHBondContact O-CA 3.27Å; H133-P173 HydrophobicContact CB-CG 4.45Å; H133-P173 VanDerWaalsContact O-CD 3.31Å; H133-P173 WeakPolarHBondContact O-CD 3.44Å; H133-G279 WeakPolarHBondContact O-CA 3.29Å |
| 134 | P | 80.5 | Confident | 74.9 | Confident | 89 Ų | 89 | 79.1 Ų | 79.1 | 58% | 0.578 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 143.7 | 172.6 | -24 | 33.9 | 0 | 0 | 0 | 111.9 | P280 | P134-P280 WeakPolarHBondContact CA-O 3.46Å; P134-P280 HydrophobicContact CB-CG 3.95Å; P134-P280 HydrophobicContact CG-CG 3.91Å |
| 135 | G | 74.7 | Confident | 73.1 | Confident | 12 Ų | 12 | 74.1 Ų | 74.1 | 12% | 0.124 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 163.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L170 G172 P280 G282 | G135-L170 WeakPolarHBondContact CA-O 3.46Å; G135-G172 VanDerWaalsContact CA-CA 3.45Å; G135-G172 VanDerWaalsContact N-CA 3.31Å; G135-P280 PolarHBondContact N-O 2.78Å; G135-G282 WeakPolarHBondContact O-CA 3.23Å |
| 136 | E | 84 | Confident | 71.1 | Confident | 149 Ų | 149 | 73.8 Ų | 73.8 | 70% | 0.696 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 139.3 | 177.4 | -67.4 | -178.1 | -173.7 | 0 | 0 | 110.9 | G169 L170 | E136-G169 WeakPolarHBondContact O-CA 3.5Å; E136-L170 HydrophobicContact CB-CD1 4.47Å; E136-L170 PolarHBondContact O-N 3.25Å |
| 137 | A | 79.2 | Confident | 69.5 | Low | 73 Ų | 73 | 74.7 Ų | 74.7 | 60% | 0.603 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -63 | 144.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | K283 | A137-K283 WeakPolarHBondContact CA-O 3.46Š|
| 138 | G | 69.4 | Low | 67.4 | Low | 13 Ų | 13 | 72.8 Ų | 72.8 | 13% | 0.134 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 150.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | S140 L167 K283 G285 | G138-S140 PolarHBondContact O-N 3.35Å; G138-L167 WeakPolarHBondContact CA-O 3.36Å; G138-K283 PolarHBondContact N-O 2.88Å; G138-G285 VanDerWaalsContact O-CA 3.3Å; G138-G285 WeakPolarHBondContact O-CA 3.07Å |
| 139 | L | 76.7 | Confident | 65.5 | Low | 122 Ų | 122 | 68.3 Ų | 68.3 | 64% | 0.639 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 132.3 | 175.4 | -66.5 | 174.1 | 0 | 0 | 0 | 110 | G166 L167 | L139-G166 CarbonylContact O-C 3.49Å; L139-G166 WeakPolarHBondContact O-CA 3.33Å; L139-L167 HydrophobicContact CB-CD1 4.34Å; L139-L167 HydrophobicContact CD1-CD1 4.26Å; L139-L167 PolarHBondContact O-N 3.34Å |
| 140 | S | 72.5 | Confident | 63.8 | Low | 77 Ų | 77 | 72.7 Ų | 72.7 | 54% | 0.538 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 146.8 | 172.4 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | G138 I286 | G138-S140 PolarHBondContact O-N 3.35Å; S140-I286 WeakPolarHBondContact CA-O 3.23Å |
| 141 | G | 61.4 | Low | 61.9 | Low | 13 Ų | 13 | 71.7 Ų | 71.7 | 13% | 0.134 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 148.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L164 I286 G288 | G141-L164 VanDerWaalsContact CA-O 3.22Å; G141-L164 WeakPolarHBondContact CA-O 3.36Å; G141-I286 PolarHBondContact N-O 3.36Å; G141-G288 WeakPolarHBondContact O-CA 3.33Å |
| 142 | L | 59.8 | Low | 60.2 | Low | 63 Ų | 63 | 76.9 Ų | 76.9 | 33% | 0.33 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 130.7 | 175.8 | -64.5 | 169.2 | 0 | 0 | 0 | 109.8 | L164 P308 | L142-L164 HydrophobicContact CB-CD1 4.25Å; L142-L164 HydrophobicContact CD1-CD1 4.15Å; L142-L164 PolarHBondContact O-N 3.36Å; L142-P308 HydrophobicContact CD2-CB 3.98Å |
| 143 | V | 56 | Low | 58.8 | Low | 80 Ų | 80 | 79.1 Ų | 79.1 | 49% | 0.485 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 126.9 | 168.5 | -177.9 | 0 | 0 | 0 | 0 | 108 | N289 | V143-N289 HydrophobicContact CG1-CB 3.96Å; V143-N289 HydrophobicContact CG2-CB 3.97Å |
| 144 | M | 51.8 | Low | 57 | Low | 32 Ų | 32 | 82.6 Ų | 82.6 | 16% | 0.158 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 141.3 | 166.8 | -104.4 | 175.6 | -77.5 | 0 | 0 | 109.4 | N146 L161 Q162 G291 | M144-N146 PolarHBondContact O-N 3.39Å; M144-L161 HydrophobicContact CE-CB 3.51Å; M144-L161 HydrophobicContact CE-CD2 4.24Å; M144-L161 HydrophobicContact CE-CG 4.41Å; M144-L161 HydrophobicContact SD-CB 3.29Å; M144-L161 WeakPolarHBondContact SD-CB 3.39Å; M144-L161 HydrophobicContact SD-CD1 3.76Å; M144-L161 HydrophobicContact SD-CD2 3.94Å; M144-L161 HydrophobicContact SD-CG 3.85Å; M144-Q162 WeakPolarHBondContact CE-O 3.46Å; M144-G291 WeakPolarHBondContact O-CA 3.34Å |
| 145 | L | 46.1 | Very low | 55.2 | Low | 33 Ų | 33 | 88 Ų | 88 | 17% | 0.173 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -50.2 | 136.5 | -172.5 | -78.8 | 157.7 | 0 | 0 | 0 | 112.2 | L147 V292 L306 F342 | L145-L147 VanDerWaalsContact C-N 3.31Å; L145-L147 HydrophobicContact CB-CD1 4.31Å; L145-L147 HydrophobicContact CB-CG 4.33Å; L145-L147 PolarHBondContact O-N 3.31Å; L145-L147 VanDerWaalsContact O-N 3.07Å; L145-V292 PolarHBondContact O-N 2.88Å; L145-L306 HydrophobicContact CD1-CD1 4.44Å; L145-L306 HydrophobicContact CD2-CD1 4.13Å; L145-L306 HydrophobicContact CG-CD1 4.2Å; L145-F342 HydrophobicContact CD2-CD1 4.27Å; L145-F342 HydrophobicContact CD2-CE1 3.5Å; L145-F342 VanDerWaalsContact CD2-CE1 3.5Å; L145-F342 HydrophobicContact CD2-CZ 3.66Å |
| 146 | N | 41.3 | Very low | 53.6 | Low | 102 Ų | 102 | 93.4 Ų | 93.4 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | B | Isolated β-bridge | trans | -82 | 76.8 | 176.4 | -170.6 | -13.7 | 0 | 0 | 0 | 108.6 | M144 T148 V292 | M144-N146 PolarHBondContact O-N 3.39Å; N146-T148 PolarHBondContact O-N 3.41Å; N146-V292 HydrophobicContact CB-CG2 4.3Å; N146-V292 VanDerWaalsContact OD1-CB 3.23Å; N146-V292 WeakPolarHBondContact OD1-CB 3.46Å; N146-V292 WeakPolarHBondContact OD1-CG2 3.31Å |
| 147 | L | 43.2 | Very low | 51.6 | Low | 31 Ų | 31 | 89 Ų | 89 | 16% | 0.162 | 49% | 0.494 | C | S | . | . | trans | -88.5 | 103.8 | 176.7 | -76.3 | 162.3 | 0 | 0 | 0 | 108.3 | L145 C149 V292 P294 L337 | L145-L147 VanDerWaalsContact C-N 3.31Å; L145-L147 HydrophobicContact CB-CD1 4.31Å; L145-L147 HydrophobicContact CB-CG 4.33Å; L145-L147 PolarHBondContact O-N 3.31Å; L145-L147 VanDerWaalsContact O-N 3.07Å; L147-C149 PolarHBondContact O-N 3.44Å; L147-C149 VanDerWaalsContact O-N 3.1Å; L147-V292 PolarHBondContact N-O 3.48Å; L147-V292 WeakPolarHBondContact O-CG1 3.09Å; L147-P294 HydrophobicContact CB-CB 4.07Å; L147-P294 HydrophobicContact CD1-CB 3.54Å; L147-P294 HydrophobicContact CG-CB 4.43Å; L147-L337 HydrophobicContact CD2-CD2 3.77Å | ||
| 148 | T | 39.4 | Very low | 50 | Low | 98 Ų | 98 | 89.7 Ų | 89.7 | 60% | 0.601 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 117.6 | 179.7 | 48.9 | 0 | 0 | 0 | 0 | 110.3 | N146 E150 | N146-T148 PolarHBondContact O-N 3.41Å; T148-E150 PolarHBondContact O-N 3.09Å |
| 149 | C | 40.9 | Very low | 49.1 | Very low | 48 Ų | 48 | 94.9 Ų | 94.9 | 32% | 0.324 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 116 | 177.5 | -167 | 0 | 0 | 0 | 0 | 108.7 | L147 C157 T295 | L147-C149 PolarHBondContact O-N 3.44Å; L147-C149 VanDerWaalsContact O-N 3.1Å; C149-C157 VanDerWaalsContact SG-SG 3.65Å; C149-T295 WeakPolarHBondContact SG-CG2 3.39Å; C149-T295 PolarHBondContact SG-OG1 3.35Å |
| 150 | E | 40.2 | Very low | 47.7 | Very low | 101 Ų | 101 | 92.4 Ų | 92.4 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 135.9 | 173 | -72.6 | -173.8 | 169.7 | 0 | 0 | 110.6 | T148 K152 Y296 | T148-E150 PolarHBondContact O-N 3.09Å; E150-K152 PolarHBondContact O-N 3.12Å; E150-Y296 HydrophobicContact CB-CE2 4.17Å; E150-Y296 HydrophobicContact CG-CE2 4.05Å; E150-Y296 PolarHBondContact OE2-OH 3.23Å |
| 151 | P | 44.2 | Very low | 46.8 | Very low | 134 Ų | 134 | 92.6 Ų | 92.6 | 87% | 0.87 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 4.8 | -170.7 | 26.2 | -33.7 | 0 | 0 | 0 | 115.3 | ||
| 152 | K | 46 | Very low | 46.7 | Very low | 194 Ų | 194 | 99.1 Ų | 99.1 | 84% | 0.843 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -2.9 | -176.1 | -72.3 | -173.9 | 179.1 | 175.3 | 0 | 114.7 | E150 K154 | E150-K152 PolarHBondContact O-N 3.12Å; K152-K154 PolarHBondContact O-N 2.97Å |
| 153 | A | 44.1 | Very low | 46.6 | Very low | 56 Ų | 56 | 96.6 Ų | 96.6 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | trans | -77.2 | 112.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | R155 | A153-R155 PolarHBondContact O-N 3.44Å; A153-R155 VanDerWaalsContact O-N 3.08Å | ||
| 154 | K | 44.8 | Very low | 46.9 | Very low | 215 Ų | 215 | 97.5 Ų | 97.5 | 94% | 0.935 | 53% | 0.528 | S | S | * | . | trans | -67.6 | 1.9 | 178.9 | -122.8 | 178.7 | -174.6 | -178.9 | 0 | 115.1 | K152 | K152-K154 PolarHBondContact O-N 2.97Š| ||
| 155 | R | 43 | Very low | 47.7 | Very low | 203 Ų | 203 | 102.1 Ų | 102.1 | 77% | 0.766 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -114.9 | 140.7 | -176.4 | -63 | -178 | -175 | -137.9 | 1.1 | 108.8 | A153 C157 | A153-R155 PolarHBondContact O-N 3.44Å; A153-R155 VanDerWaalsContact O-N 3.08Å; R155-C157 PolarHBondContact O-N 3.37Å |
| 156 | P | 42.6 | Very low | 48.7 | Very low | 125 Ų | 125 | 100.7 Ų | 100.7 | 81% | 0.812 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 125.5 | 170.9 | 23.4 | -30.8 | 0 | 0 | 0 | 108.2 | ||
| 157 | C | 42.2 | Very low | 50.3 | Low | 57 Ų | 57 | 100.8 Ų | 100.8 | 39% | 0.385 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 138.5 | 174.6 | -62.8 | 0 | 0 | 0 | 0 | 108 | C149 R155 T295 | C149-C157 VanDerWaalsContact SG-SG 3.65Å; R155-C157 PolarHBondContact O-N 3.37Å; C157-T295 HydrophobicContact CB-CG2 4.48Å; C157-T295 VanDerWaalsContact SG-CG2 3.56Å |
| 158 | P | 44.3 | Very low | 51.7 | Low | 86 Ų | 86 | 103.9 Ų | 103.9 | 56% | 0.558 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 151.8 | 165.9 | 24.2 | -31.5 | 0 | 0 | 0 | 109.1 | C160 C293 | P158-C160 PolarHBondContact O-N 3.46Å; P158-C293 PolarHBondContact O-SG 2.99Å; P158-C293 VanDerWaalsContact O-SG 3.35Å |
| 159 | P | 50.4 | Low | 53.4 | Low | 123 Ų | 123 | 99.7 Ų | 99.7 | 80% | 0.799 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -51 | 130.7 | 178.4 | 21 | -31.6 | 0 | 0 | 0 | 109.6 | L161 | P159-L161 PolarHBondContact O-N 3.1Š|
| 160 | C | 48.6 | Very low | 55.1 | Low | 69 Ų | 69 | 102.6 Ų | 102.6 | 47% | 0.466 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 136.1 | -179.1 | -62.5 | 0 | 0 | 0 | 0 | 109.1 | P158 Q162 C293 | P158-C160 PolarHBondContact O-N 3.46Å; C160-Q162 PolarHBondContact O-N 2.96Å; C160-C293 WeakPolarHBondContact CA-SG 3.22Å; C160-C293 HydrophobicContact CB-CB 4.38Å; C160-C293 WeakPolarHBondContact CB-SG 3.41Å; C160-C293 PolarHBondContact N-SG 3.42Å; C160-C293 VanDerWaalsContact N-SG 3.45Å; C160-C293 WeakPolarHBondContact SG-CB 3.12Å; C160-C293 CovalentContact SG-SG 2.07Å; C160-C293 PolarHBondContact SG-SG 3.07Å |
| 161 | L | 52.8 | Low | 57 | Low | 81 Ų | 81 | 102.8 Ų | 102.8 | 42% | 0.424 | 56% | 0.563 | S | S | . | * | trans | -66.3 | 109.2 | -179.5 | -74.2 | 139.8 | 0 | 0 | 0 | 108.2 | M144 P159 G291 | M144-L161 HydrophobicContact CE-CB 3.51Å; M144-L161 HydrophobicContact CE-CD2 4.24Å; M144-L161 HydrophobicContact CE-CG 4.41Å; M144-L161 HydrophobicContact SD-CB 3.29Å; M144-L161 WeakPolarHBondContact SD-CB 3.39Å; M144-L161 HydrophobicContact SD-CD1 3.76Å; M144-L161 HydrophobicContact SD-CD2 3.94Å; M144-L161 HydrophobicContact SD-CG 3.85Å; P159-L161 PolarHBondContact O-N 3.1Å; L161-G291 PolarHBondContact O-N 3.32Å | ||
| 162 | Q | 58.1 | Low | 58.4 | Low | 150 Ų | 150 | 96.8 Ų | 96.8 | 70% | 0.701 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 141.7 | 176.2 | -145.7 | 169.9 | 18.1 | 0 | 0 | 109.4 | M144 C160 D290 | M144-Q162 WeakPolarHBondContact CE-O 3.46Å; C160-Q162 PolarHBondContact O-N 2.96Å; Q162-D290 WeakPolarHBondContact CA-OD1 3.28Å; Q162-D290 WeakPolarHBondContact CG-OD1 3.46Å |
| 163 | G | 59.4 | Low | 59.9 | Low | 10 Ų | 10 | 91.1 Ų | 91.1 | 10% | 0.103 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -56 | 145.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I165 G288 D290 | G163-I165 PolarHBondContact O-N 2.85Å; G163-G288 WeakPolarHBondContact CA-O 3.45Å; G163-D290 PolarHBondContact N-OD1 3.19Å; G163-D290 VanDerWaalsContact N-OD1 3.16Å |
| 164 | L | 62.2 | Low | 61.5 | Low | 99 Ų | 99 | 96.2 Ų | 96.2 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 140.3 | 178.4 | -77.6 | 166.1 | 0 | 0 | 0 | 109.5 | G141 L142 G166 G288 | G141-L164 VanDerWaalsContact CA-O 3.22Å; G141-L164 WeakPolarHBondContact CA-O 3.36Å; L142-L164 HydrophobicContact CB-CD1 4.25Å; L142-L164 HydrophobicContact CD1-CD1 4.15Å; L142-L164 PolarHBondContact O-N 3.36Å; L164-G166 PolarHBondContact O-N 2.98Å; L164-G288 PolarHBondContact O-N 2.96Å |
| 165 | I | 68.7 | Low | 63 | Low | 130 Ų | 130 | 86 Ų | 86 | 67% | 0.667 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -64 | 135.3 | 175.5 | -59.4 | 171.4 | 0 | 0 | 0 | 108.4 | G163 | G163-I165 PolarHBondContact O-N 2.85Š|
| 166 | G | 66.3 | Low | 64.7 | Low | 2 Ų | 2 | 80.9 Ų | 80.9 | 2% | 0.021 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -62 | 143.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L139 L164 Q284 | L139-G166 CarbonylContact O-C 3.49Å; L139-G166 WeakPolarHBondContact O-CA 3.33Å; L164-G166 PolarHBondContact O-N 2.98Å; G166-Q284 PolarHBondContact O-NE2 2.89Å |
| 167 | L | 75.1 | Confident | 66.4 | Low | 104 Ų | 104 | 80.1 Ų | 80.1 | 55% | 0.545 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 147.6 | -179.4 | -68.3 | 177.5 | 0 | 0 | 0 | 110.3 | G138 L139 G285 | G138-L167 WeakPolarHBondContact CA-O 3.36Å; L139-L167 HydrophobicContact CB-CD1 4.34Å; L139-L167 HydrophobicContact CD1-CD1 4.26Å; L139-L167 PolarHBondContact O-N 3.34Å; L167-G285 PolarHBondContact O-N 2.83Å |
| 168 | P | 72.6 | Confident | 68.1 | Low | 97 Ų | 97 | 78.2 Ų | 78.2 | 63% | 0.63 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 147.7 | 169.4 | -22.4 | 33.3 | 0 | 0 | 0 | 111.4 | ||
| 169 | G | 74.2 | Confident | 69.7 | Low | 10 Ų | 10 | 78.9 Ų | 78.9 | 10% | 0.103 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -68 | 154.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E136 V281 | E136-G169 WeakPolarHBondContact O-CA 3.5Å; G169-V281 VanDerWaalsContact O-CG1 3.28Å; G169-V281 WeakPolarHBondContact O-CG1 3.44Å |
| 170 | L | 78.5 | Confident | 71 | Confident | 109 Ų | 109 | 78 Ų | 78 | 57% | 0.571 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 153.5 | 177.3 | -63.3 | -179.8 | 0 | 0 | 0 | 110.4 | G135 E136 G282 | G135-L170 WeakPolarHBondContact CA-O 3.46Å; E136-L170 HydrophobicContact CB-CD1 4.47Å; E136-L170 PolarHBondContact O-N 3.25Å; L170-G282 PolarHBondContact O-N 3.34Å |
| 171 | T | 79.4 | Confident | 72.4 | Confident | 104 Ų | 104 | 75.6 Ų | 75.6 | 64% | 0.638 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 137.5 | 170.6 | -49.4 | 0 | 0 | 0 | 0 | 109.7 | V281 | T171-V281 HydrophobicContact CG2-CG2 4.4Š|
| 172 | G | 74.3 | Confident | 73.7 | Confident | 8 Ų | 8 | 76.4 Ų | 76.4 | 8% | 0.082 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -63 | 155.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | H133 G135 P280 | H133-G172 WeakPolarHBondContact O-CA 3.27Å; G135-G172 VanDerWaalsContact CA-CA 3.45Å; G135-G172 VanDerWaalsContact N-CA 3.31Å; G172-P280 PolarHBondContact N-O 3.34Å |
| 173 | P | 77.1 | Confident | 74.7 | Confident | 76 Ų | 76 | 74 Ų | 74 | 49% | 0.494 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 154.7 | 172.3 | 24.2 | -35.7 | 0 | 0 | 0 | 111.6 | G132 H133 G279 | G132-P173 WeakPolarHBondContact CA-O 3.47Å; H133-P173 HydrophobicContact CB-CG 4.45Å; H133-P173 VanDerWaalsContact O-CD 3.31Å; H133-P173 WeakPolarHBondContact O-CD 3.44Å; P173-G279 PolarHBondContact O-N 3.16Å |
| 174 | R | 77.9 | Confident | 75.7 | Confident | 163 Ų | 163 | 74.3 Ų | 74.3 | 62% | 0.615 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 143.4 | 173.1 | -166.2 | 173.7 | 173.7 | -162.7 | -3.7 | 109.4 | R275 | R174-R275 VanDerWaalsContact CD-NH2 3.29Å; R174-R275 VanDerWaalsContact CZ-CZ 3.42Å; R174-R275 VanDerWaalsContact CZ-NH1 3.31Å |
| 175 | G | 75.8 | Confident | 76.4 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.01 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 166.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K130 R275 P277 | K130-G175 WeakPolarHBondContact O-CA 3.19Å; G175-R275 VanDerWaalsContact O-CZ 3.3Å; G175-R275 PolarHBondContact O-NE 3.35Å; G175-R275 PolarHBondContact O-NH2 3Å; G175-P277 PolarHBondContact N-O 3.4Å |
| 176 | D | 77.7 | Confident | 77 | Confident | 94 Ų | 94 | 70.7 Ų | 70.7 | 50% | 0.503 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 153.4 | -179.9 | -62.8 | -29.6 | 0 | 0 | 0 | 110.7 | G129 K130 R275 G276 | G129-D176 WeakPolarHBondContact CA-O 3.46Å; K130-D176 PolarHBondContact O-N 3.27Å; D176-R275 VanDerWaalsContact O-CG 3.23Å; D176-R275 WeakPolarHBondContact O-CG 3.07Å; D176-G276 PolarHBondContact O-N 3.37Å |
| 177 | D | 79.9 | Confident | 77.4 | Confident | 109 Ų | 109 | 70.8 Ų | 70.8 | 58% | 0.583 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 146.2 | 170.2 | -63.4 | -35.4 | 0 | 0 | 0 | 109.9 | R275 | D177-R275 WeakPolarHBondContact OD1-CD 3.49Å; D177-R275 WeakPolarHBondContact OD1-CG 3.23Å; D177-R275 IonicContact OD1-CZ 2.81Å; D177-R275 IonicContact OD1-NE 2.86Å; D177-R275 PolarHBondContact OD1-NE 3.32Å; D177-R275 IonicContact OD1-NH1 3.8Å; D177-R275 PolarHBondContact OD1-NH1 3.19Å; D177-R275 IonicContact OD2-NH1 3.09Å |
| 178 | G | 76.5 | Confident | 77.4 | Confident | 18 Ų | 18 | 72.4 Ų | 72.4 | 19% | 0.186 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 156.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E127 | E127-G178 CarbonylContact O-C 3.56Å; E127-G178 VanDerWaalsContact O-CA 3.27Å; E127-G178 WeakPolarHBondContact O-CA 3.27Å |
| 179 | L | 79.1 | Confident | 77.6 | Confident | 100 Ų | 100 | 71.8 Ų | 71.8 | 52% | 0.524 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -70 | 146.7 | 174.8 | -68.6 | 177.9 | 0 | 0 | 0 | 110 | G126 E127 G273 | G126-L179 VanDerWaalsContact CA-O 3.27Å; G126-L179 WeakPolarHBondContact CA-O 3.2Å; E127-L179 HydrophobicContact CB-CB 4.43Å; E127-L179 HydrophobicContact CB-CD1 4.31Å; E127-L179 PolarHBondContact O-N 3Å; L179-G273 PolarHBondContact O-N 3.24Å |
| 180 | P | 77.4 | Confident | 77.4 | Confident | 104 Ų | 104 | 71.6 Ų | 71.6 | 68% | 0.675 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 148.9 | 172.2 | 27 | -33.2 | 0 | 0 | 0 | 110.7 | ||
| 181 | G | 76.8 | Confident | 77.1 | Confident | 19 Ų | 19 | 71.7 Ų | 71.7 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 152 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q124 | Q124-G181 CarbonylContact O-C 3.52Å; Q124-G181 VanDerWaalsContact O-CA 3.28Å; Q124-G181 WeakPolarHBondContact O-CA 3.41Å |
| 182 | I | 80.7 | Confident | 76.5 | Confident | 97 Ų | 97 | 72.2 Ų | 72.2 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 129.6 | 175.7 | -57 | 176.7 | 0 | 0 | 0 | 108 | G123 Q124 | G123-I182 CarbonylContact C-O 3.56Å; G123-I182 VanDerWaalsContact CA-O 3.23Å; G123-I182 WeakPolarHBondContact CA-O 3.27Å; Q124-I182 HydrophobicContact CB-CB 4.21Å; Q124-I182 HydrophobicContact CB-CD1 4.26Å; Q124-I182 HydrophobicContact CB-CG1 4.42Å; Q124-I182 PolarHBondContact N-O 3Å; Q124-I182 PolarHBondContact O-N 3.47Å |
| 183 | P | 80.2 | Confident | 75.9 | Confident | 100 Ų | 100 | 72.3 Ų | 72.3 | 65% | 0.649 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 147.6 | 174.7 | -25.4 | 34.7 | 0 | 0 | 0 | 112.3 | ||
| 184 | A | 79.5 | Confident | 75 | Confident | 16 Ų | 16 | 75.3 Ų | 75.3 | 13% | 0.132 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -70 | 143.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | P121 G267 | P121-A184 WeakPolarHBondContact O-CB 3.37Å; A184-G267 VanDerWaalsContact CB-CA 3.46Å; A184-G267 WeakPolarHBondContact CB-O 3.22Å |
| 185 | P | 76.8 | Confident | 74.1 | Confident | 70 Ų | 70 | 76.1 Ų | 76.1 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 159.4 | 168.1 | 30.5 | -35 | 0 | 0 | 0 | 111.3 | P121 G267 | P121-P185 HydrophobicContact CG-CG 3.49Å; P121-P185 VanDerWaalsContact CG-CG 3.49Å; P185-G267 PolarHBondContact O-N 3.38Å |
| 186 | N | 80.6 | Confident | 73 | Confident | 83 Ų | 83 | 76.7 Ų | 76.7 | 44% | 0.444 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 152.3 | 177.6 | -64.3 | -11.1 | 0 | 0 | 0 | 111.6 | E266 | N186-E266 WeakPolarHBondContact OD1-CG 3.3Å; N186-E266 PolarHBondContact OD1-OE1 3.07Å |
| 187 | G | 74.9 | Confident | 71.8 | Confident | 5 Ų | 5 | 78.7 Ų | 78.7 | 5% | 0.052 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 158.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F118 G120 K263 H265 | F118-G187 CarbonylContact O-C 3.6Å; F118-G187 VanDerWaalsContact O-CA 3.27Å; F118-G187 WeakPolarHBondContact O-CA 3.33Å; G120-G187 VanDerWaalsContact N-CA 3.28Å; G187-K263 WeakPolarHBondContact O-CE 3.49Å; G187-H265 PolarHBondContact N-O 2.83Å |
| 188 | F | 75.5 | Confident | 70.6 | Confident | 137 Ų | 137 | 80.3 Ų | 80.3 | 60% | 0.601 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -74 | 154 | 176.7 | -65.2 | -80.6 | 0 | 0 | 0 | 110.6 | G117 F118 G264 | G117-F188 WeakPolarHBondContact CA-O 3.44Å; F118-F188 HydrophobicContact CB-CD2 4.41Å; F118-F188 PolarHBondContact O-N 2.99Å; F188-G264 PolarHBondContact O-N 2.92Å |
| 189 | D | 77.2 | Confident | 69.2 | Low | 85 Ų | 85 | 81.1 Ų | 81.1 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 146 | 172.9 | -73.5 | 0.9 | 0 | 0 | 0 | 110.4 | R260 K263 | D189-R260 IonicContact OD2-NH1 3.97Å; D189-R260 PolarHBondContact OD2-NH1 3.49Å; D189-R260 VanDerWaalsContact OD2-NH1 3.08Å; D189-K263 WeakPolarHBondContact OD1-CD 3.34Å; D189-K263 WeakPolarHBondContact OD1-CG 3.22Å |
| 190 | G | 69.4 | Low | 67.7 | Low | 5 Ų | 5 | 81.2 Ų | 81.2 | 5% | 0.052 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 150.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P115 I262 | P115-G190 WeakPolarHBondContact O-CA 3.14Å; G190-I262 PolarHBondContact N-O 3.5Å |
| 191 | I | 71.5 | Confident | 66.5 | Low | 111 Ų | 111 | 82 Ų | 82 | 57% | 0.569 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 161 | 175.4 | 63.7 | 179 | 0 | 0 | 0 | 110.5 | G114 P115 G261 | G114-I191 WeakPolarHBondContact CA-O 3.5Å; P115-I191 VanDerWaalsContact CD-CG1 3.46Å; P115-I191 HydrophobicContact CG-CD1 3.53Å; P115-I191 HydrophobicContact CG-CG1 3.55Å; I191-G261 PolarHBondContact O-N 3.47Å |
| 192 | H | 68.5 | Low | 64.9 | Low | 115 Ų | 115 | 83.1 Ų | 83.1 | 53% | 0.532 | 47% | 0.471 | S | S | . | . | B | Isolated β-bridge | trans | -68.5 | 144.4 | 173.6 | -74.5 | -88.1 | 0 | 0 | 0 | 110.9 | R260 | H192-R260 PolarHBondContact CE1-NE 3.49Å; H192-R260 PolarHBondContact NE2-NE 2.92Å; H192-R260 PolarHBondContact NE2-NH2 3.45Å |
| 193 | G | 60.7 | Low | 63.3 | Low | 11 Ų | 11 | 85 Ų | 85 | 11% | 0.113 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 160.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R112 L259 | R112-G193 WeakPolarHBondContact O-CA 3.31Å; G193-L259 PolarHBondContact N-O 3.07Å; G193-L259 VanDerWaalsContact N-O 3.14Å |
| 194 | L | 58.9 | Low | 61.7 | Low | 138 Ų | 138 | 89.2 Ų | 89.2 | 72% | 0.723 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 151.2 | 175.6 | -62.7 | 174.1 | 0 | 0 | 0 | 110.5 | G258 | L194-G258 WeakPolarHBondContact O-CA 3.42Å; L194-G258 PolarHBondContact O-N 2.95Å |
| 195 | Y | 59.6 | Low | 60 | Low | 181 Ų | 181 | 90.1 Ų | 90.1 | 71% | 0.71 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 151.4 | 171.9 | -65.4 | -77.9 | 0 | 0 | 0 | 110.9 | ||
| 196 | G | 52.6 | Low | 58.3 | Low | 12 Ų | 12 | 91.9 Ų | 91.9 | 12% | 0.124 | 52% | 0.523 | C | S | . | . | P | Polyproline II helix | trans | -62 | 143.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | C110 I256 | C110-G196 WeakPolarHBondContact O-CA 3.43Å; C110-G196 PolarHBondContact O-N 3.42Å; C110-G196 WeakPolarHBondContact SG-CA 3.47Å; G196-I256 PolarHBondContact N-O 3.02Å |
| 197 | L | 51.3 | Low | 56.6 | Low | 137 Ų | 137 | 93.9 Ų | 93.9 | 72% | 0.717 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -68 | 146.4 | 168.2 | -65.2 | 171 | 0 | 0 | 0 | 109.5 | C110 | C110-L197 PolarHBondContact SG-N 3.28Š|
| 198 | D | 54 | Low | 55 | Low | 143 Ų | 143 | 95.7 Ų | 95.7 | 77% | 0.765 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 144.4 | 173.7 | -65 | -33.2 | 0 | 0 | 0 | 110.8 | ||
| 199 | G | 47.4 | Very low | 53.3 | Low | 35 Ų | 35 | 98 Ų | 98 | 36% | 0.361 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -66.3 | 154.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 200 | P | 48.6 | Very low | 51.9 | Low | 101 Ų | 101 | 101.6 Ų | 101.6 | 66% | 0.656 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 146.5 | 176.7 | 26.8 | -33.8 | 0 | 0 | 0 | 111.4 | ||
| 201 | S | 51.4 | Low | 50.6 | Low | 120 Ų | 120 | 103.5 Ų | 103.5 | 84% | 0.839 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -57 | 143 | 169.3 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 202 | G | 44.4 | Very low | 49.1 | Very low | 44 Ų | 44 | 102.8 Ų | 102.8 | 45% | 0.454 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -70.3 | 162.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 203 | V | 46.8 | Very low | 48.1 | Very low | 137 Ų | 137 | 108.9 Ų | 108.9 | 83% | 0.83 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -78 | 143.6 | -173.5 | -153.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 204 | E | 47.4 | Very low | 47.1 | Very low | 187 Ų | 187 | 110.3 Ų | 110.3 | 87% | 0.874 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 142.7 | 172.6 | -168.5 | 174.2 | -173.3 | 0 | 0 | 111 | ||
| 205 | G | 42.4 | Very low | 46.2 | Very low | 36 Ų | 36 | 110.8 Ų | 110.8 | 37% | 0.371 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -68.5 | 148.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 206 | S | 40.6 | Very low | 45.4 | Very low | 107 Ų | 107 | 107.9 Ų | 107.9 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 143.6 | 176.8 | 39.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 207 | P | 46.5 | Very low | 45 | Very low | 125 Ų | 125 | 109.9 Ų | 109.9 | 81% | 0.812 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 149.3 | 172.6 | -24.3 | 33.3 | 0 | 0 | 0 | 112.7 | ||
| 208 | G | 41.3 | Very low | 44.4 | Very low | 43 Ų | 43 | 110.8 Ų | 110.8 | 44% | 0.443 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 151.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 209 | M | 39.9 | Very low | 43.9 | Very low | 184 Ų | 184 | 109.2 Ų | 109.2 | 91% | 0.906 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 143.6 | 173 | -70.1 | 175.6 | 67.6 | 0 | 0 | 110.7 | ||
| 210 | D | 47.3 | Very low | 43.9 | Very low | 162 Ų | 162 | 111.3 Ų | 111.3 | 87% | 0.866 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -59 | 145.2 | 171.9 | -66.7 | -28.7 | 0 | 0 | 0 | 111.2 | ||
| 211 | G | 41.2 | Very low | 43.6 | Very low | 45 Ų | 45 | 114.2 Ų | 114.2 | 46% | 0.464 | 71% | 0.708 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 147.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 212 | A | 41.4 | Very low | 43.1 | Very low | 96 Ų | 96 | 114.1 Ų | 114.1 | 79% | 0.793 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 141.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | G214 | A212-G214 PolarHBondContact O-N 3.33Š|
| 213 | R | 46.9 | Very low | 43 | Very low | 242 Ų | 242 | 115.7 Ų | 115.7 | 91% | 0.913 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 131.5 | 172.7 | -173.3 | 177.5 | -174.3 | 162.3 | 3 | 109.2 | ||
| 214 | G | 40.1 | Very low | 43.2 | Very low | 41 Ų | 41 | 115.8 Ų | 115.8 | 42% | 0.423 | 72% | 0.715 | S | S | . | * | P | Polyproline II helix | trans | -57 | 146.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A212 | A212-G214 PolarHBondContact O-N 3.33Š|
| 215 | D | 38.4 | Very low | 43.1 | Very low | 149 Ų | 149 | 114.7 Ų | 114.7 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 145.4 | -179.3 | -71.3 | -41.5 | 0 | 0 | 0 | 111.5 | G217 | D215-G217 PolarHBondContact O-N 3.48Š|
| 216 | P | 44.6 | Very low | 42.9 | Very low | 119 Ų | 119 | 119.2 Ų | 119.2 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 137.8 | 170.6 | -20.4 | 31.3 | 0 | 0 | 0 | 111.2 | ||
| 217 | G | 42.8 | Very low | 43 | Very low | 55 Ų | 55 | 125.8 Ų | 125.8 | 57% | 0.567 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 141.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | D215 | D215-G217 PolarHBondContact O-N 3.48Š|
| 218 | I | 38.2 | Very low | 42.7 | Very low | 155 Ų | 155 | 121.6 Ų | 121.6 | 80% | 0.795 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 128.2 | -178.2 | -57.9 | 166.1 | 0 | 0 | 0 | 108.9 | A220 | I218-A220 PolarHBondContact O-N 2.98Š|
| 219 | P | 45.1 | Very low | 42.6 | Very low | 111 Ų | 111 | 125 Ų | 125 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 129.4 | 172.2 | -21.2 | 31.2 | 0 | 0 | 0 | 110.3 | I221 | P219-I221 PolarHBondContact O-N 3.24Å; P219-I221 VanDerWaalsContact O-N 3.14Å |
| 220 | A | 46.8 | Very low | 42.7 | Very low | 79 Ų | 79 | 121.7 Ų | 121.7 | 65% | 0.653 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 122.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | I218 S222 | I218-A220 PolarHBondContact O-N 2.98Å; A220-S222 PolarHBondContact O-N 3.36Å |
| 221 | I | 41.7 | Very low | 42.4 | Very low | 162 Ų | 162 | 117.1 Ų | 117.1 | 83% | 0.831 | 72% | 0.717 | S | S | * | * | trans | -59.7 | 114.9 | 178.1 | -64.8 | 165.1 | 0 | 0 | 0 | 107.5 | P219 S223 | P219-I221 PolarHBondContact O-N 3.24Å; P219-I221 VanDerWaalsContact O-N 3.14Å; I221-S223 PolarHBondContact O-N 2.99Å; I221-S223 VanDerWaalsContact O-N 3.14Å | ||
| 222 | S | 42 | Very low | 42.1 | Very low | 118 Ų | 118 | 122.1 Ų | 122.1 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | trans | -61.1 | 110.6 | -177.5 | 41.1 | 0 | 0 | 0 | 0 | 110.7 | A220 | A220-S222 PolarHBondContact O-N 3.36Š| ||
| 223 | S | 41.6 | Very low | 42.1 | Very low | 76 Ų | 76 | 125.3 Ų | 125.3 | 53% | 0.531 | 74% | 0.735 | S | S | . | * | trans | -117.7 | 135.3 | 152.8 | 69.9 | 0 | 0 | 0 | 0 | 108.2 | I221 L225 | I221-S223 PolarHBondContact O-N 2.99Å; I221-S223 VanDerWaalsContact O-N 3.14Å; S223-L225 PolarHBondContact O-N 2.92Å | ||
| 224 | P | 50.6 | Low | 41.8 | Very low | 140 Ų | 140 | 116.1 Ų | 116.1 | 91% | 0.909 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 4.1 | -168.9 | -22.5 | 33.6 | 0 | 0 | 0 | 116.7 | ||
| 225 | L | 45.1 | Very low | 41.7 | Very low | 163 Ų | 163 | 123 Ų | 123 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | -7.5 | -166.8 | -80.7 | 152 | 0 | 0 | 0 | 115.2 | S223 | S223-L225 PolarHBondContact O-N 2.92Š|
| 226 | I | 39.4 | Very low | 41.9 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 68% | 0.677 | 74% | 0.738 | S | S | * | * | trans | -138.8 | 117.2 | 174 | -56.2 | 176.5 | 0 | 0 | 0 | 107.7 | G228 | I226-G228 VanDerWaalsContact C-N 3.25Å; I226-G228 PolarHBondContact O-N 2.95Å | ||
| 227 | R | 43.4 | Very low | 41.9 | Very low | 245 Ų | 245 | 120 Ų | 120 | 93% | 0.925 | 72% | 0.721 | S | S | * | * | trans | -62.6 | 96.1 | 164.4 | -168 | -179.8 | -167.1 | 175.6 | 3.7 | 105.4 | ||||
| 228 | G | 40 | Very low | 41.7 | Very low | 36 Ų | 36 | 126.3 Ų | 126.3 | 37% | 0.371 | 74% | 0.736 | S | S | . | * | trans | -52 | 139.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | I226 S230 | I226-G228 VanDerWaalsContact C-N 3.25Å; I226-G228 PolarHBondContact O-N 2.95Å; G228-S230 PolarHBondContact O-N 2.81Å | ||
| 229 | P | 38 | Very low | 42 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | trans | -50.4 | 144.4 | 173 | 22.6 | -31.8 | 0 | 0 | 0 | 108.8 | G231 | P229-G231 PolarHBondContact O-N 3.39Å; P229-G231 VanDerWaalsContact O-N 3.09Å | ||
| 230 | S | 43.2 | Very low | 41.9 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | trans | -44.8 | 123.8 | 174.1 | -65 | 0 | 0 | 0 | 0 | 108.1 | G228 D232 | G228-S230 PolarHBondContact O-N 2.81Å; S230-D232 PolarHBondContact O-N 3.33Å; S230-D232 VanDerWaalsContact O-N 3.16Å | ||
| 231 | G | 39.2 | Very low | 41.5 | Very low | 66 Ų | 66 | 122.5 Ų | 122.5 | 68% | 0.68 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 127.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | P229 I233 | P229-G231 PolarHBondContact O-N 3.39Å; P229-G231 VanDerWaalsContact O-N 3.09Å; G231-I233 PolarHBondContact O-N 3.37Å |
| 232 | D | 36 | Very low | 41.7 | Very low | 150 Ų | 150 | 120.7 Ų | 120.7 | 80% | 0.802 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 138.6 | -178.4 | -66.9 | -42.6 | 0 | 0 | 0 | 108.9 | S230 G234 | S230-D232 PolarHBondContact O-N 3.33Å; S230-D232 VanDerWaalsContact O-N 3.16Å; D232-G234 PolarHBondContact O-N 3.27Å |
| 233 | I | 41.5 | Very low | 41.8 | Very low | 163 Ų | 163 | 117 Ų | 117 | 84% | 0.836 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 116.6 | 174.9 | -62.5 | 170.4 | 0 | 0 | 0 | 105.7 | G231 E235 | G231-I233 PolarHBondContact O-N 3.37Å; I233-E235 PolarHBondContact O-N 3.32Å |
| 234 | G | 41.1 | Very low | 41.8 | Very low | 48 Ų | 48 | 119.7 Ų | 119.7 | 50% | 0.495 | 72% | 0.716 | S | S | . | * | P | Polyproline II helix | trans | -49.6 | 131.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | D232 I236 | D232-G234 PolarHBondContact O-N 3.27Å; G234-I236 PolarHBondContact O-N 2.87Å |
| 235 | E | 37.9 | Very low | 41.5 | Very low | 186 Ų | 186 | 121 Ų | 121 | 87% | 0.869 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 137.2 | -177.1 | -69.6 | -174.9 | 155.5 | 0 | 0 | 109.6 | I233 G237 | I233-E235 PolarHBondContact O-N 3.32Å; E235-G237 PolarHBondContact O-N 3.29Å |
| 236 | I | 43.1 | Very low | 41.4 | Very low | 164 Ų | 164 | 114.5 Ų | 114.5 | 84% | 0.841 | 69% | 0.687 | S | S | * | * | trans | -56.6 | 114.3 | 172.9 | -62.9 | 170.5 | 0 | 0 | 0 | 105.5 | G234 E238 | G234-I236 PolarHBondContact O-N 2.87Å; I236-E238 PolarHBondContact O-N 3.17Å | ||
| 237 | G | 42.6 | Very low | 41.5 | Very low | 40 Ų | 40 | 116.9 Ų | 116.9 | 41% | 0.412 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -50.5 | 131.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | E235 S239 | E235-G237 PolarHBondContact O-N 3.29Å; G237-S239 PolarHBondContact O-N 3Å |
| 238 | E | 39.5 | Very low | 41.6 | Very low | 188 Ų | 188 | 110.9 Ų | 110.9 | 88% | 0.879 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 135.5 | -178.8 | -69.5 | -168.6 | 156 | 0 | 0 | 109.5 | I236 G240 | I236-E238 PolarHBondContact O-N 3.17Å; E238-G240 PolarHBondContact O-N 2.83Å; E238-G240 VanDerWaalsContact O-N 3.11Å |
| 239 | S | 44.7 | Very low | 41.8 | Very low | 118 Ų | 118 | 111 Ų | 111 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 124.8 | 171.1 | -57 | 0 | 0 | 0 | 0 | 108.1 | G237 | G237-S239 PolarHBondContact O-N 3Š|
| 240 | G | 42.3 | Very low | 42 | Very low | 31 Ų | 31 | 113.3 Ų | 113.3 | 32% | 0.32 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -50.8 | 144.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | E238 | E238-G240 PolarHBondContact O-N 2.83Å; E238-G240 VanDerWaalsContact O-N 3.11Å |
| 241 | P | 39.6 | Very low | 42.2 | Very low | 116 Ų | 116 | 116 Ų | 116 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 145.7 | 178.5 | 23.8 | -33.2 | 0 | 0 | 0 | 109.4 | G243 | P241-G243 PolarHBondContact O-N 3.29Š|
| 242 | P | 46.1 | Very low | 42.5 | Very low | 125 Ų | 125 | 114.1 Ų | 114.1 | 81% | 0.812 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 132.3 | 172.4 | -24.5 | 32 | 0 | 0 | 0 | 109.4 | T244 | P242-T244 PolarHBondContact O-N 2.88Š|
| 243 | G | 43.3 | Very low | 43 | Very low | 41 Ų | 41 | 112.2 Ų | 112.2 | 42% | 0.423 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -50.2 | 136.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | P241 L245 | P241-G243 PolarHBondContact O-N 3.29Å; G243-L245 PolarHBondContact O-N 2.91Å |
| 244 | T | 41.6 | Very low | 43.5 | Very low | 132 Ų | 132 | 109.9 Ų | 109.9 | 81% | 0.81 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 129.3 | 177 | 49.2 | 0 | 0 | 0 | 0 | 108.7 | P242 G246 | P242-T244 PolarHBondContact O-N 2.88Å; T244-G246 PolarHBondContact O-N 3.38Å; T244-G246 VanDerWaalsContact O-N 3.13Å |
| 245 | L | 44.5 | Very low | 44.1 | Very low | 166 Ų | 166 | 108.7 Ų | 108.7 | 87% | 0.869 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 123 | 172.7 | -137.4 | 151.6 | 0 | 0 | 0 | 107.1 | G243 E247 | G243-L245 PolarHBondContact O-N 2.91Å; L245-E247 PolarHBondContact O-N 3.16Å |
| 246 | G | 42.6 | Very low | 45 | Very low | 28 Ų | 28 | 105 Ų | 105 | 29% | 0.289 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -52.1 | 137.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110 | T244 | T244-G246 PolarHBondContact O-N 3.38Å; T244-G246 VanDerWaalsContact O-N 3.13Å |
| 247 | E | 41.5 | Very low | 45.8 | Very low | 181 Ų | 181 | 101.1 Ų | 101.1 | 85% | 0.846 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 136.1 | 176.8 | -67.7 | -174.3 | 144.3 | 0 | 0 | 109.2 | L245 G249 | L245-E247 PolarHBondContact O-N 3.16Å; E247-G249 PolarHBondContact O-N 2.99Å; E247-G249 VanDerWaalsContact O-N 3.17Å |
| 248 | P | 45.3 | Very low | 46.7 | Very low | 119 Ų | 119 | 99.5 Ų | 99.5 | 77% | 0.773 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 128.3 | 172.3 | -24.3 | 32.4 | 0 | 0 | 0 | 109 | L250 | P248-L250 PolarHBondContact O-N 2.84Š|
| 249 | G | 43.8 | Very low | 47.9 | Very low | 39 Ų | 39 | 96.1 Ų | 96.1 | 40% | 0.402 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 135 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | E247 L251 | E247-G249 PolarHBondContact O-N 2.99Å; E247-G249 VanDerWaalsContact O-N 3.17Å; G249-L251 PolarHBondContact O-N 3.06Å |
| 250 | L | 42.5 | Very low | 49.1 | Very low | 164 Ų | 164 | 97.3 Ų | 97.3 | 86% | 0.859 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 135 | -179.4 | -64.3 | 173.4 | 0 | 0 | 0 | 109.7 | P248 G252 | P248-L250 PolarHBondContact O-N 2.84Å; L250-G252 PolarHBondContact O-N 2.94Å |
| 251 | L | 47.9 | Very low | 50.4 | Low | 172 Ų | 172 | 96.1 Ų | 96.1 | 90% | 0.901 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 129.7 | 172.6 | -140.8 | 95.8 | 0 | 0 | 0 | 107.9 | G249 | G249-L251 PolarHBondContact O-N 3.06Š|
| 252 | G | 44.6 | Very low | 52 | Low | 25 Ų | 25 | 95.9 Ų | 95.9 | 26% | 0.258 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 144.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L250 | L250-G252 PolarHBondContact O-N 2.94Š|
| 253 | P | 46.9 | Very low | 53.5 | Low | 110 Ų | 110 | 95.1 Ų | 95.1 | 71% | 0.714 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 144.8 | 176.5 | 26 | -33.4 | 0 | 0 | 0 | 109.6 | G255 | P253-G255 PolarHBondContact O-N 3.03Š|
| 254 | P | 53.1 | Low | 55 | Low | 114 Ų | 114 | 93.6 Ų | 93.6 | 74% | 0.74 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -52 | 139.4 | 173.7 | -24.4 | 32.2 | 0 | 0 | 0 | 111 | I256 | P254-I256 PolarHBondContact O-N 3.39Š|
| 255 | G | 53.5 | Low | 56.5 | Low | 24 Ų | 24 | 94.3 Ų | 94.3 | 25% | 0.247 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 133.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | P253 | P253-G255 PolarHBondContact O-N 3.03Š|
| 256 | I | 55.5 | Low | 58.2 | Low | 109 Ų | 109 | 93 Ų | 93 | 56% | 0.559 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 137.2 | 176 | 53.9 | 163.8 | 0 | 0 | 0 | 109.8 | C111 G196 P254 G258 | C111-I256 HydrophobicContact CB-CD1 3.83Å; C111-I256 HydrophobicContact CB-CG1 4.17Å; C111-I256 WeakPolarHBondContact SG-CD1 3.28Å; C111-I256 WeakPolarHBondContact SG-CG1 3.39Å; G196-I256 PolarHBondContact N-O 3.02Å; P254-I256 PolarHBondContact O-N 3.39Å; I256-G258 PolarHBondContact O-N 2.87Å |
| 257 | S | 61.1 | Low | 59.7 | Low | 82 Ų | 82 | 92.4 Ų | 92.4 | 57% | 0.573 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 133.4 | 175.5 | -56.8 | 0 | 0 | 0 | 0 | 110.1 | L259 | S257-L259 PolarHBondContact O-N 3.46Š|
| 258 | G | 61.3 | Low | 61.3 | Low | 6 Ų | 6 | 92.3 Ų | 92.3 | 6% | 0.062 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 138.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L194 I256 | L194-G258 WeakPolarHBondContact O-CA 3.42Å; L194-G258 PolarHBondContact O-N 2.95Å; I256-G258 PolarHBondContact O-N 2.87Å |
| 259 | L | 65.1 | Low | 62.8 | Low | 117 Ų | 117 | 90.4 Ų | 90.4 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 143.8 | 178.5 | -63.4 | 175.4 | 0 | 0 | 0 | 110.5 | P113 G114 G193 S257 G261 | P113-L259 HydrophobicContact CB-CB 4.3Å; P113-L259 HydrophobicContact CG-CD1 4.44Å; G114-L259 PolarHBondContact N-O 3Å; G193-L259 PolarHBondContact N-O 3.07Å; G193-L259 VanDerWaalsContact N-O 3.14Å; S257-L259 PolarHBondContact O-N 3.46Å; L259-G261 PolarHBondContact O-N 2.89Å |
| 260 | R | 69.1 | Low | 64.2 | Low | 143 Ų | 143 | 89.2 Ų | 89.2 | 54% | 0.54 | 49% | 0.492 | S | S | . | . | B | Isolated β-bridge | trans | -60.7 | 133.9 | 171.2 | -175.1 | -176.4 | -88.1 | -158.3 | -1.4 | 108.8 | D189 H192 | D189-R260 IonicContact OD2-NH1 3.97Å; D189-R260 PolarHBondContact OD2-NH1 3.49Å; D189-R260 VanDerWaalsContact OD2-NH1 3.08Å; H192-R260 PolarHBondContact CE1-NE 3.49Å; H192-R260 PolarHBondContact NE2-NE 2.92Å; H192-R260 PolarHBondContact NE2-NH2 3.45Å |
| 261 | G | 69 | Low | 65.8 | Low | 5 Ų | 5 | 88.4 Ų | 88.4 | 5% | 0.052 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 150.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G114 I191 L259 | G114-G261 WeakPolarHBondContact O-CA 3.45Å; I191-G261 PolarHBondContact O-N 3.47Å; L259-G261 PolarHBondContact O-N 2.89Å |
| 262 | I | 73.6 | Confident | 67.1 | Low | 111 Ų | 111 | 83.9 Ų | 83.9 | 57% | 0.569 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 145.1 | 177.9 | 61.5 | 174.9 | 0 | 0 | 0 | 110.5 | P116 G117 G190 | P116-I262 HydrophobicContact CB-CD1 4.1Å; P116-I262 HydrophobicContact CB-CG1 3.65Å; P116-I262 HydrophobicContact CG-CD1 4.15Å; P116-I262 HydrophobicContact CG-CG1 3.95Å; G117-I262 PolarHBondContact N-O 3.46Å; G190-I262 PolarHBondContact N-O 3.5Å |
| 263 | K | 77 | Confident | 68.4 | Low | 109 Ų | 109 | 83.3 Ų | 83.3 | 47% | 0.474 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 138.3 | 173.8 | -172.5 | 176.4 | -174.3 | -178.2 | 0 | 110 | G187 D189 | G187-K263 WeakPolarHBondContact O-CE 3.49Å; D189-K263 WeakPolarHBondContact OD1-CD 3.34Å; D189-K263 WeakPolarHBondContact OD1-CG 3.22Å |
| 264 | G | 74.9 | Confident | 69.8 | Low | 10 Ų | 10 | 82.2 Ų | 82.2 | 10% | 0.103 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 147.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G117 F188 | G117-G264 WeakPolarHBondContact O-CA 3.38Å; F188-G264 PolarHBondContact O-N 2.92Å |
| 265 | H | 75 | Confident | 70.9 | Confident | 146 Ų | 146 | 81.1 Ų | 81.1 | 68% | 0.676 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 153.6 | 176.8 | -58.6 | -58.7 | 0 | 0 | 0 | 111.7 | S119 G120 G187 | S119-H265 WeakPolarHBondContact CA-O 3.42Å; G120-H265 PolarHBondContact N-O 3.33Å; G187-H265 PolarHBondContact N-O 2.83Å |
| 266 | E | 78.5 | Confident | 71.7 | Confident | 138 Ų | 138 | 80.2 Ų | 80.2 | 65% | 0.645 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 144.4 | 169 | -57.7 | -174.9 | 174.6 | 0 | 0 | 109.8 | N186 | N186-E266 WeakPolarHBondContact OD1-CG 3.3Å; N186-E266 PolarHBondContact OD1-OE1 3.07Å |
| 267 | G | 74.8 | Confident | 72.6 | Confident | 16 Ų | 16 | 78.8 Ų | 78.8 | 17% | 0.165 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 164.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G120 A184 P185 | G120-G267 WeakPolarHBondContact O-CA 3.36Å; A184-G267 VanDerWaalsContact CB-CA 3.46Å; A184-G267 WeakPolarHBondContact CB-O 3.22Å; P185-G267 PolarHBondContact O-N 3.38Å |
| 268 | F | 75.6 | Confident | 73.1 | Confident | 180 Ų | 180 | 78.8 Ų | 78.8 | 79% | 0.789 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 136 | 173.7 | -62.6 | -73.4 | 0 | 0 | 0 | 110.7 | G123 | G123-F268 PolarHBondContact N-O 3.18Š|
| 269 | A | 76.2 | Confident | 73.6 | Confident | 78 Ų | 78 | 78.8 Ų | 78.8 | 65% | 0.645 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 142.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 270 | G | 73.9 | Confident | 73.9 | Confident | 14 Ų | 14 | 77 Ų | 77 | 14% | 0.144 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 146.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 271 | Q | 74.8 | Confident | 74.3 | Confident | 148 Ų | 148 | 74.4 Ų | 74.4 | 69% | 0.692 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 146.2 | 176.6 | -65.8 | -176.8 | -0.7 | 0 | 0 | 110.4 | N125 G126 | N125-Q271 PolarHBondContact OD1-N 2.95Å; G126-Q271 PolarHBondContact N-O 3.06Å |
| 272 | A | 76.2 | Confident | 74.5 | Confident | 76 Ų | 76 | 74.6 Ų | 74.6 | 63% | 0.628 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 141.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 273 | G | 71.9 | Confident | 74.6 | Confident | 13 Ų | 13 | 77.8 Ų | 77.8 | 13% | 0.134 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 137.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | E127 L179 | E127-G273 WeakPolarHBondContact O-CA 3.5Å; L179-G273 PolarHBondContact O-N 3.24Å |
| 274 | V | 75.5 | Confident | 74.3 | Confident | 88 Ų | 88 | 78.6 Ų | 78.6 | 53% | 0.533 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 148.8 | 175.7 | -62.7 | 0 | 0 | 0 | 0 | 110.6 | H128 G129 | H128-V274 HydrophobicContact CB-CG2 4.2Å; G129-V274 PolarHBondContact N-O 2.79Å |
| 275 | R | 77.4 | Confident | 73.9 | Confident | 90 Ų | 90 | 78.4 Ų | 78.4 | 34% | 0.34 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 142.5 | 174.7 | -170.5 | 179.2 | -176.4 | 138.4 | -2.9 | 111.3 | R174 G175 D176 D177 | R174-R275 VanDerWaalsContact CD-NH2 3.29Å; R174-R275 VanDerWaalsContact CZ-CZ 3.42Å; R174-R275 VanDerWaalsContact CZ-NH1 3.31Å; G175-R275 VanDerWaalsContact O-CZ 3.3Å; G175-R275 PolarHBondContact O-NE 3.35Å; G175-R275 PolarHBondContact O-NH2 3Å; D176-R275 VanDerWaalsContact O-CG 3.23Å; D176-R275 WeakPolarHBondContact O-CG 3.07Å; D177-R275 WeakPolarHBondContact OD1-CD 3.49Å; D177-R275 WeakPolarHBondContact OD1-CG 3.23Å; D177-R275 IonicContact OD1-CZ 2.81Å; D177-R275 IonicContact OD1-NE 2.86Å; D177-R275 PolarHBondContact OD1-NE 3.32Å; D177-R275 IonicContact OD1-NH1 3.8Å; D177-R275 PolarHBondContact OD1-NH1 3.19Å; D177-R275 IonicContact OD2-NH1 3.09Å |
| 276 | G | 70.6 | Confident | 73.8 | Confident | 6 Ų | 6 | 77.3 Ų | 77.3 | 6% | 0.062 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 150 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G129 D176 | G129-G276 WeakPolarHBondContact O-CA 3.28Å; D176-G276 PolarHBondContact O-N 3.37Å |
| 277 | P | 73.8 | Confident | 73 | Confident | 78 Ų | 78 | 74.7 Ų | 74.7 | 51% | 0.506 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 157 | 177.6 | 28.5 | -34.4 | 0 | 0 | 0 | 111.4 | P131 G132 G175 | P131-P277 HydrophobicContact CB-CG 4.03Å; P131-P277 HydrophobicContact CG-CG 4.13Å; G132-P277 PolarHBondContact N-O 3.25Å; G175-P277 PolarHBondContact N-O 3.4Å |
| 278 | P | 71.5 | Confident | 72.3 | Confident | 83 Ų | 83 | 74.3 Ų | 74.3 | 54% | 0.539 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 148.9 | 169.2 | -20.7 | 32.5 | 0 | 0 | 0 | 111.8 | ||
| 279 | G | 70.9 | Confident | 71.3 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 6% | 0.062 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 154.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G132 H133 P173 | G132-G279 WeakPolarHBondContact O-CA 3.19Å; H133-G279 WeakPolarHBondContact O-CA 3.29Å; P173-G279 PolarHBondContact O-N 3.16Å |
| 280 | P | 72.7 | Confident | 70.3 | Confident | 80 Ų | 80 | 72.3 Ų | 72.3 | 52% | 0.519 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -62 | 154.3 | 178.4 | 27.5 | -34.2 | 0 | 0 | 0 | 111 | P134 G135 G172 | P134-P280 WeakPolarHBondContact CA-O 3.46Å; P134-P280 HydrophobicContact CB-CG 3.95Å; P134-P280 HydrophobicContact CG-CG 3.91Å; G135-P280 PolarHBondContact N-O 2.78Å; G172-P280 PolarHBondContact N-O 3.34Å |
| 281 | V | 76.3 | Confident | 69.1 | Low | 88 Ų | 88 | 71.9 Ų | 71.9 | 53% | 0.533 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 139 | 172.2 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | G169 T171 | G169-V281 VanDerWaalsContact O-CG1 3.28Å; G169-V281 WeakPolarHBondContact O-CG1 3.44Å; T171-V281 HydrophobicContact CG2-CG2 4.4Å |
| 282 | G | 72.6 | Confident | 67.5 | Low | 9 Ų | 9 | 67.1 Ų | 67.1 | 9% | 0.093 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 154.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | G135 L170 | G135-G282 WeakPolarHBondContact O-CA 3.23Å; L170-G282 PolarHBondContact O-N 3.34Å |
| 283 | K | 75.9 | Confident | 65.9 | Low | 178 Ų | 178 | 64 Ų | 64 | 77% | 0.774 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 142.9 | 176.8 | -66.9 | -176.9 | 179.4 | -179.8 | 0 | 110 | A137 G138 | A137-K283 WeakPolarHBondContact CA-O 3.46Å; G138-K283 PolarHBondContact N-O 2.88Å |
| 284 | Q | 71.4 | Confident | 64.5 | Low | 126 Ų | 126 | 65.6 Ų | 65.6 | 59% | 0.589 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 142.5 | 172.1 | -171.4 | 178.4 | 8.7 | 0 | 0 | 110.1 | G166 | G166-Q284 PolarHBondContact O-NE2 2.89Š|
| 285 | G | 67.3 | Low | 62.6 | Low | 5 Ų | 5 | 62.4 Ų | 62.4 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 144.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G138 L167 | G138-G285 VanDerWaalsContact O-CA 3.3Å; G138-G285 WeakPolarHBondContact O-CA 3.07Å; L167-G285 PolarHBondContact O-N 2.83Å |
| 286 | I | 71.3 | Confident | 60.9 | Low | 123 Ų | 123 | 64.5 Ų | 64.5 | 63% | 0.631 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 139.6 | 178.1 | -53.8 | 168.8 | 0 | 0 | 0 | 108.1 | S140 G141 | S140-I286 WeakPolarHBondContact CA-O 3.23Å; G141-I286 PolarHBondContact N-O 3.36Å |
| 287 | P | 61.9 | Low | 59.4 | Low | 84 Ų | 84 | 64.9 Ų | 64.9 | 55% | 0.545 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 143.2 | 171.4 | -25.4 | 34.6 | 0 | 0 | 0 | 111.5 | ||
| 288 | G | 60 | Low | 57.7 | Low | 8 Ų | 8 | 64 Ų | 64 | 8% | 0.082 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 145.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | G141 G163 L164 | G141-G288 WeakPolarHBondContact O-CA 3.33Å; G163-G288 WeakPolarHBondContact CA-O 3.45Å; L164-G288 PolarHBondContact O-N 2.96Å |
| 289 | N | 55.7 | Low | 56.3 | Low | 116 Ų | 116 | 66.1 Ų | 66.1 | 62% | 0.62 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 144.9 | 171 | -64 | -12.9 | 0 | 0 | 0 | 109.9 | V143 G291 | V143-N289 HydrophobicContact CG1-CB 3.96Å; V143-N289 HydrophobicContact CG2-CB 3.97Å; N289-G291 PolarHBondContact O-N 3.36Å |
| 290 | D | 54.4 | Low | 54.9 | Low | 99 Ų | 99 | 69.3 Ų | 69.3 | 53% | 0.529 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 132.8 | 174.2 | -67.7 | -21.3 | 0 | 0 | 0 | 110.2 | Q162 G163 | Q162-D290 WeakPolarHBondContact CA-OD1 3.28Å; Q162-D290 WeakPolarHBondContact CG-OD1 3.46Å; G163-D290 PolarHBondContact N-OD1 3.19Å; G163-D290 VanDerWaalsContact N-OD1 3.16Å |
| 291 | G | 48.3 | Very low | 53.3 | Low | 6 Ų | 6 | 66.2 Ų | 66.2 | 6% | 0.062 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 147.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | M144 L161 N289 | M144-G291 WeakPolarHBondContact O-CA 3.34Å; L161-G291 PolarHBondContact O-N 3.32Å; N289-G291 PolarHBondContact O-N 3.36Å |
| 292 | V | 42.4 | Very low | 51.6 | Low | 48 Ų | 48 | 62.3 Ų | 62.3 | 29% | 0.291 | 34% | 0.341 | S | S | . | . | B | Isolated β-bridge | trans | -84.5 | 127.8 | 171.6 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | L145 N146 L147 P294 | L145-V292 PolarHBondContact O-N 2.88Å; N146-V292 HydrophobicContact CB-CG2 4.3Å; N146-V292 VanDerWaalsContact OD1-CB 3.23Å; N146-V292 WeakPolarHBondContact OD1-CB 3.46Å; N146-V292 WeakPolarHBondContact OD1-CG2 3.31Å; L147-V292 PolarHBondContact N-O 3.48Å; L147-V292 WeakPolarHBondContact O-CG1 3.09Å; V292-P294 VanDerWaalsContact O-CD 3.31Å; V292-P294 WeakPolarHBondContact O-CD 3.49Å; V292-P294 VanDerWaalsContact O-N 3.13Å |
| 293 | C | 41.6 | Very low | 50.1 | Low | 10 Ų | 10 | 64.3 Ų | 64.3 | 7% | 0.068 | 35% | 0.351 | C | S | . | . | trans | -43.3 | 111.2 | -176.5 | -80.5 | 0 | 0 | 0 | 0 | 112.4 | P158 C160 T295 | P158-C293 PolarHBondContact O-SG 2.99Å; P158-C293 VanDerWaalsContact O-SG 3.35Å; C160-C293 WeakPolarHBondContact CA-SG 3.22Å; C160-C293 HydrophobicContact CB-CB 4.38Å; C160-C293 WeakPolarHBondContact CB-SG 3.41Å; C160-C293 PolarHBondContact N-SG 3.42Å; C160-C293 VanDerWaalsContact N-SG 3.45Å; C160-C293 WeakPolarHBondContact SG-CB 3.12Å; C160-C293 CovalentContact SG-SG 2.07Å; C160-C293 PolarHBondContact SG-SG 3.07Å; C293-T295 VanDerWaalsContact C-N 3.33Å; C293-T295 PolarHBondContact O-N 3.46Å | ||
| 294 | P | 42.1 | Very low | 48.7 | Very low | 46 Ų | 46 | 56.8 Ų | 56.8 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | trans | -76.4 | 84.2 | 175.6 | 30.8 | -33.8 | 0 | 0 | 0 | 109.9 | L147 V292 Y296 | L147-P294 HydrophobicContact CB-CB 4.07Å; L147-P294 HydrophobicContact CD1-CB 3.54Å; L147-P294 HydrophobicContact CG-CB 4.43Å; V292-P294 VanDerWaalsContact O-CD 3.31Å; V292-P294 WeakPolarHBondContact O-CD 3.49Å; V292-P294 VanDerWaalsContact O-N 3.13Å; P294-Y296 PolarHBondContact O-N 3.27Å | ||
| 295 | T | 37.1 | Very low | 47.3 | Very low | 21 Ų | 21 | 56.4 Ų | 56.4 | 13% | 0.129 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -20.4 | 177 | 33.3 | 0 | 0 | 0 | 0 | 113.4 | C149 C157 C293 N299 | C149-T295 WeakPolarHBondContact SG-CG2 3.39Å; C149-T295 PolarHBondContact SG-OG1 3.35Å; C157-T295 HydrophobicContact CB-CG2 4.48Å; C157-T295 VanDerWaalsContact SG-CG2 3.56Å; C293-T295 VanDerWaalsContact C-N 3.33Å; C293-T295 PolarHBondContact O-N 3.46Å; T295-N299 PolarHBondContact O-ND2 3.45Å |
| 296 | Y | 40.3 | Very low | 46.1 | Very low | 135 Ų | 135 | 59.2 Ų | 59.2 | 53% | 0.529 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -41.5 | -173.4 | -81.4 | -70.5 | 0 | 0 | 0 | 115 | E150 P294 | E150-Y296 HydrophobicContact CB-CE2 4.17Å; E150-Y296 HydrophobicContact CG-CE2 4.05Å; E150-Y296 PolarHBondContact OE2-OH 3.23Å; P294-Y296 PolarHBondContact O-N 3.27Å |
| 297 | C | 40.5 | Very low | 44.6 | Very low | 14 Ų | 14 | 56.2 Ų | 56.2 | 10% | 0.095 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -10.7 | -172.9 | -60 | 0 | 0 | 0 | 0 | 114.4 | N299 D300 G301 F304 C333 | C297-N299 VanDerWaalsContact C-N 3.26Å; C297-N299 PolarHBondContact O-N 2.07Å; C297-D300 PolarHBondContact O-N 2.92Å; C297-G301 PolarHBondContact O-N 3.18Å; C297-F304 HydrophobicContact CB-CE2 3.55Å; C297-F304 HydrophobicContact CB-CZ 4.27Å; C297-C333 WeakPolarHBondContact CB-SG 3.36Å; C297-C333 WeakPolarHBondContact SG-CB 3.47Å; C297-C333 CovalentContact SG-SG 2.08Å; C297-C333 PolarHBondContact SG-SG 2.86Å |
| 298 | A | 37.7 | Very low | 43.6 | Very low | 58 Ų | 58 | 56.9 Ų | 56.9 | 48% | 0.479 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -69.1 | -25.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | D300 G301 | A298-D300 PolarHBondContact O-N 2.95Å; A298-G301 PolarHBondContact O-N 3.42Å |
| 299 | N | 41.5 | Very low | 43.1 | Very low | 128 Ų | 128 | 66.9 Ų | 66.9 | 68% | 0.684 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -64.5 | -20.9 | 177.9 | -68.6 | -27.3 | 0 | 0 | 0 | 112.6 | T295 C297 | T295-N299 PolarHBondContact O-ND2 3.45Å; C297-N299 VanDerWaalsContact C-N 3.26Å; C297-N299 PolarHBondContact O-N 2.07Å |
| 300 | D | 42.6 | Very low | 42.5 | Very low | 73 Ų | 73 | 63.8 Ų | 63.8 | 39% | 0.39 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -110.7 | 0.5 | 179.3 | -70.3 | -35.7 | 0 | 0 | 0 | 114.6 | C297 A298 W317 K329 | C297-D300 PolarHBondContact O-N 2.92Å; A298-D300 PolarHBondContact O-N 2.95Å; D300-W317 HydrophobicContact CB-CH2 4.42Å; D300-W317 HydrophobicContact CB-CZ3 4.19Å; D300-W317 VanDerWaalsContact O-CZ3 3.28Å; D300-W317 WeakPolarHBondContact O-CZ3 3.4Å; D300-K329 HydrophobicContact CB-CD 4.28Å |
| 301 | G | 39 | Very low | 41.9 | Very low | 16 Ų | 16 | 66.7 Ų | 66.7 | 17% | 0.165 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | 19.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | C297 A298 | C297-G301 PolarHBondContact O-N 3.18Å; A298-G301 PolarHBondContact O-N 3.42Å |
| 302 | G | 39.6 | Very low | 41.4 | Very low | 6 Ų | 6 | 72 Ų | 72 | 6% | 0.062 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 138.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 303 | V | 42.3 | Very low | 41.5 | Very low | 50 Ų | 50 | 72.3 Ų | 72.3 | 30% | 0.303 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.1 | 167.4 | -166.7 | 0 | 0 | 0 | 0 | 109.6 | Y305 L316 | V303-Y305 HydrophobicContact CB-CE2 3.82Å; V303-Y305 HydrophobicContact CG1-CD2 4.31Å; V303-Y305 HydrophobicContact CG1-CE1 3.98Å; V303-Y305 HydrophobicContact CG1-CE2 3.5Å; V303-Y305 VanDerWaalsContact CG1-CE2 3.5Å; V303-Y305 VanDerWaalsContact CG1-OH 3.28Å; V303-Y305 WeakPolarHBondContact CG1-OH 3.23Å; V303-L316 PolarHBondContact N-O 3.1Å; V303-L316 PolarHBondContact O-N 3.49Å |
| 304 | F | 46.5 | Very low | 41.5 | Very low | 21 Ų | 21 | 74.8 Ų | 74.8 | 9% | 0.092 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 135.6 | 179.5 | -57.3 | -77.8 | 0 | 0 | 0 | 110.8 | C297 L313 V315 C333 | C297-F304 HydrophobicContact CB-CE2 3.55Å; C297-F304 HydrophobicContact CB-CZ 4.27Å; F304-L313 HydrophobicContact CB-CD2 4.11Å; F304-L313 HydrophobicContact CD1-CD2 3.38Å; F304-L313 HydrophobicContact CE1-CD2 4.13Å; F304-L313 HydrophobicContact CG-CD2 4.08Å; F304-V315 HydrophobicContact CD1-CB 4.47Å; F304-V315 HydrophobicContact CD1-CG1 4.14Å; F304-V315 HydrophobicContact CD1-CG2 3.78Å; F304-V315 HydrophobicContact CE1-CB 4.49Å; F304-V315 HydrophobicContact CE1-CG1 3.9Å; F304-V315 HydrophobicContact CE1-CG2 3.8Å; F304-C333 HydrophobicContact CE2-CB 4.47Å; F304-C333 HydrophobicContact CZ-CB 3.82Å |
| 305 | Y | 41.5 | Very low | 41.8 | Very low | 117 Ų | 117 | 74.9 Ų | 74.9 | 46% | 0.459 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 140.1 | 171.2 | -54.6 | -84.5 | 0 | 0 | 0 | 110.2 | V303 S314 | V303-Y305 HydrophobicContact CB-CE2 3.82Å; V303-Y305 HydrophobicContact CG1-CD2 4.31Å; V303-Y305 HydrophobicContact CG1-CE1 3.98Å; V303-Y305 HydrophobicContact CG1-CE2 3.5Å; V303-Y305 VanDerWaalsContact CG1-CE2 3.5Å; V303-Y305 VanDerWaalsContact CG1-OH 3.28Å; V303-Y305 WeakPolarHBondContact CG1-OH 3.23Å; Y305-S314 PolarHBondContact N-O 2.97Å; Y305-S314 PolarHBondContact O-N 2.8Å |
| 306 | L | 41.6 | Very low | 41.9 | Very low | 64 Ų | 64 | 79.1 Ų | 79.1 | 34% | 0.335 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 132.3 | 170.1 | -78.5 | 160.9 | 0 | 0 | 0 | 109.5 | L145 L313 | L145-L306 HydrophobicContact CD1-CD1 4.44Å; L145-L306 HydrophobicContact CD2-CD1 4.13Å; L145-L306 HydrophobicContact CG-CD1 4.2Å; L306-L313 HydrophobicContact CD2-CD1 4.22Å; L306-L313 HydrophobicContact CD2-CG 4.44Å |
| 307 | N | 40.3 | Very low | 42 | Very low | 60 Ų | 60 | 74.6 Ų | 74.6 | 32% | 0.321 | 41% | 0.405 | S | S | . | . | trans | -61.4 | 142.1 | 166.2 | -173.5 | -27.3 | 0 | 0 | 0 | 109.2 | R309 G310 E312 | N307-R309 PolarHBondContact O-N 3.46Å; N307-R309 PolarHBondContact OD1-N 3.4Å; N307-G310 PolarHBondContact O-N 3.26Å; N307-E312 HydrophobicContact CB-CB 4.04Å; N307-E312 PolarHBondContact N-O 3.17Å | ||
| 308 | P | 41.1 | Very low | 42 | Very low | 98 Ų | 98 | 80 Ų | 80 | 64% | 0.636 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -21.2 | 177 | 8.8 | -25.5 | 0 | 0 | 0 | 116.5 | L142 G310 | L142-P308 HydrophobicContact CD2-CB 3.98Å; P308-G310 PolarHBondContact O-N 3.4Å |
| 309 | R | 48.9 | Very low | 42.2 | Very low | 218 Ų | 218 | 84 Ų | 84 | 82% | 0.823 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -1.8 | 172.2 | -66.4 | -173.7 | 179.2 | 176.9 | 0.5 | 114.3 | N307 L311 | N307-R309 PolarHBondContact O-N 3.46Å; N307-R309 PolarHBondContact OD1-N 3.4Å; R309-L311 WeakPolarHBondContact O-CG 3.39Å; R309-L311 PolarHBondContact O-N 2.92Å |
| 310 | G | 43.4 | Very low | 42.5 | Very low | 51 Ų | 51 | 79.5 Ų | 79.5 | 53% | 0.526 | 42% | 0.42 | S | S | . | . | S | Bend | trans | 73.1 | 3.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | N307 P308 | N307-G310 PolarHBondContact O-N 3.26Å; P308-G310 PolarHBondContact O-N 3.4Å |
| 311 | L | 40.8 | Very low | 43.2 | Very low | 160 Ų | 160 | 85.4 Ų | 85.4 | 84% | 0.838 | 45% | 0.445 | S | S | * | . | trans | -114.2 | -7 | -166.6 | -70.6 | 164.8 | 0 | 0 | 0 | 114.8 | R309 | R309-L311 WeakPolarHBondContact O-CG 3.39Å; R309-L311 PolarHBondContact O-N 2.92Å | ||
| 312 | E | 39.4 | Very low | 44.2 | Very low | 118 Ų | 118 | 88.7 Ų | 88.7 | 55% | 0.551 | 46% | 0.459 | S | S | * | . | trans | -132.3 | 114.7 | -172 | -150.2 | 171.8 | -154.4 | 0 | 0 | 110.4 | N307 | N307-E312 HydrophobicContact CB-CB 4.04Å; N307-E312 PolarHBondContact N-O 3.17Å | ||
| 313 | L | 42.6 | Very low | 45.2 | Very low | 54 Ų | 54 | 95.8 Ų | 95.8 | 28% | 0.283 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 105.5 | 178.5 | -148.8 | 138.6 | 0 | 0 | 0 | 107.4 | F304 L306 V315 L344 | F304-L313 HydrophobicContact CB-CD2 4.11Å; F304-L313 HydrophobicContact CD1-CD2 3.38Å; F304-L313 HydrophobicContact CE1-CD2 4.13Å; F304-L313 HydrophobicContact CG-CD2 4.08Å; L306-L313 HydrophobicContact CD2-CD1 4.22Å; L306-L313 HydrophobicContact CD2-CG 4.44Å; L313-V315 HydrophobicContact CD2-CG2 4.32Å; L313-L344 HydrophobicContact CD1-CD2 4.26Å |
| 314 | S | 42.6 | Very low | 46.1 | Very low | 63 Ų | 63 | 96.6 Ų | 96.6 | 44% | 0.441 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 129.1 | -179.7 | -61.9 | 0 | 0 | 0 | 0 | 109.4 | Y305 | Y305-S314 PolarHBondContact N-O 2.97Å; Y305-S314 PolarHBondContact O-N 2.8Å |
| 315 | V | 47.6 | Very low | 46.7 | Very low | 48 Ų | 48 | 98.6 Ų | 98.6 | 29% | 0.291 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 119 | 179.7 | -163.6 | 0 | 0 | 0 | 0 | 109.1 | F304 L313 W317 L330 | F304-V315 HydrophobicContact CD1-CB 4.47Å; F304-V315 HydrophobicContact CD1-CG1 4.14Å; F304-V315 HydrophobicContact CD1-CG2 3.78Å; F304-V315 HydrophobicContact CE1-CB 4.49Å; F304-V315 HydrophobicContact CE1-CG1 3.9Å; F304-V315 HydrophobicContact CE1-CG2 3.8Å; L313-V315 HydrophobicContact CD2-CG2 4.32Å; V315-W317 HydrophobicContact CG1-CG 4.43Å; V315-L330 HydrophobicContact CG1-CD1 4.48Å; V315-L330 HydrophobicContact CG2-CD1 3.77Å |
| 316 | L | 40.3 | Very low | 47.4 | Very low | 109 Ų | 109 | 94.4 Ų | 94.4 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 109.6 | 170.8 | -139.4 | 104.8 | 0 | 0 | 0 | 108 | V303 L318 | V303-L316 PolarHBondContact N-O 3.1Å; V303-L316 PolarHBondContact O-N 3.49Å; L316-L318 HydrophobicContact CD2-CD2 3.82Å; L316-L318 HydrophobicContact CD2-CG 4.07Å |
| 317 | W | 42.9 | Very low | 48.1 | Very low | 41 Ų | 41 | 96.5 Ų | 96.5 | 16% | 0.155 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 110.2 | 171.3 | -73.5 | 90.7 | 0 | 0 | 0 | 108.5 | D300 V315 V326 K329 | D300-W317 HydrophobicContact CB-CH2 4.42Å; D300-W317 HydrophobicContact CB-CZ3 4.19Å; D300-W317 VanDerWaalsContact O-CZ3 3.28Å; D300-W317 WeakPolarHBondContact O-CZ3 3.4Å; V315-W317 HydrophobicContact CG1-CG 4.43Å; W317-V326 HydrophobicContact CD2-CG1 4.35Å; W317-V326 HydrophobicContact CG-CG1 3.97Å; W317-V326 HydrophobicContact CG-CG2 4.4Å; W317-K329 HydrophobicContact CE3-CD 4.34Å; W317-K329 HydrophobicContact CH2-CB 3.35Å; W317-K329 HydrophobicContact CH2-CD 3.78Å; W317-K329 HydrophobicContact CH2-CG 4.14Å; W317-K329 HydrophobicContact CZ2-CB 3.7Å; W317-K329 HydrophobicContact CZ3-CB 4.06Å; W317-K329 HydrophobicContact CZ3-CD 3.56Å; W317-K329 HydrophobicContact CZ3-CG 4.42Å |
| 318 | L | 38.8 | Very low | 49.1 | Very low | 127 Ų | 127 | 100.7 Ų | 100.7 | 67% | 0.665 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -85.3 | -11.2 | -176.9 | -76.9 | 164.9 | 0 | 0 | 0 | 113.6 | L316 | L316-L318 HydrophobicContact CD2-CD2 3.82Å; L316-L318 HydrophobicContact CD2-CG 4.07Å |
| 319 | L | 43 | Very low | 49.8 | Very low | 141 Ų | 141 | 98.5 Ų | 98.5 | 74% | 0.738 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -132.1 | -3.8 | -162.6 | -65.9 | 171.8 | 0 | 0 | 0 | 115.9 | ||
| 320 | D | 48.6 | Very low | 50.2 | Low | 34 Ų | 34 | 90.3 Ų | 90.3 | 18% | 0.182 | 47% | 0.473 | C | S | . | . | trans | -135.4 | 113.5 | -178 | -151.8 | -23.2 | 0 | 0 | 0 | 110.9 | N322 N325 V326 K329 | D320-N322 PolarHBondContact OD1-N 3.4Å; D320-N325 WeakPolarHBondContact OD2-CB 3.27Å; D320-V326 HydrophobicContact CB-CG2 4.04Å; D320-V326 VanDerWaalsContact O-CG2 3.23Å; D320-V326 WeakPolarHBondContact O-CG2 3.21Å; D320-K329 IonicContact OD2-NZ 3.98Å; D320-K329 PolarHBondContact OD2-NZ 2.81Å | ||
| 321 | H | 56.4 | Low | 50.9 | Low | 198 Ų | 198 | 92.1 Ų | 92.1 | 92% | 0.917 | 47% | 0.471 | S | S | * | . | trans | -88.7 | -6.5 | 177.7 | -71 | -63.6 | 0 | 0 | 0 | 112.8 | E323 | H321-E323 PolarHBondContact O-N 2.79Š| ||
| 322 | N | 60.1 | Low | 51.6 | Low | 84 Ų | 84 | 89.9 Ų | 89.9 | 45% | 0.449 | 45% | 0.454 | S | S | . | . | trans | -85 | 107 | -179.7 | -175.5 | 2.2 | 0 | 0 | 0 | 110.7 | D320 S324 N325 V326 | D320-N322 PolarHBondContact OD1-N 3.4Å; N322-S324 VanDerWaalsContact C-N 3.26Å; N322-S324 PolarHBondContact O-N 3.19Å; N322-S324 VanDerWaalsContact O-N 3.17Å; N322-S324 PolarHBondContact OD1-N 3.5Å; N322-N325 HydrophobicContact CB-CB 4.2Å; N322-N325 PolarHBondContact ND2-ND2 3.33Å; N322-N325 WeakPolarHBondContact O-CB 3.28Å; N322-N325 PolarHBondContact O-N 3.22Å; N322-V326 WeakPolarHBondContact O-CG2 3.21Å; N322-V326 PolarHBondContact O-N 3.25Å | ||
| 323 | E | 60.3 | Low | 52.1 | Low | 155 Ų | 155 | 84.5 Ų | 84.5 | 72% | 0.724 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -55.1 | -36.9 | -174.4 | -162.4 | 176.1 | -165.8 | 0 | 0 | 113.3 | H321 V326 Q327 | H321-E323 PolarHBondContact O-N 2.79Å; E323-V326 PolarHBondContact O-N 3.44Å; E323-Q327 WeakPolarHBondContact O-CB 3.21Å; E323-Q327 PolarHBondContact O-N 2.08Å |
| 324 | S | 62.3 | Low | 52.7 | Low | 67 Ų | 67 | 83.3 Ų | 83.3 | 47% | 0.469 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68 | -37.6 | 176.4 | -102.4 | 0 | 0 | 0 | 0 | 113.1 | N322 K328 | N322-S324 VanDerWaalsContact C-N 3.26Å; N322-S324 PolarHBondContact O-N 3.19Å; N322-S324 VanDerWaalsContact O-N 3.17Å; N322-S324 PolarHBondContact OD1-N 3.5Å; S324-K328 WeakPolarHBondContact O-CB 3.49Å; S324-K328 VanDerWaalsContact O-CG 3.32Å; S324-K328 WeakPolarHBondContact O-CG 3.27Å; S324-K328 PolarHBondContact O-N 3.35Å |
| 325 | N | 58.3 | Low | 53.2 | Low | 64 Ų | 64 | 86.8 Ų | 86.8 | 34% | 0.342 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.6 | -41.8 | 174.8 | -78.1 | -14 | 0 | 0 | 0 | 110.4 | D320 N322 Q327 K328 K329 | D320-N325 WeakPolarHBondContact OD2-CB 3.27Å; N322-N325 HydrophobicContact CB-CB 4.2Å; N322-N325 PolarHBondContact ND2-ND2 3.33Å; N322-N325 WeakPolarHBondContact O-CB 3.28Å; N322-N325 PolarHBondContact O-N 3.22Å; N325-Q327 VanDerWaalsContact C-N 3.35Å; N325-Q327 PolarHBondContact O-N 3.1Å; N325-K328 PolarHBondContact O-N 3.3Å; N325-K329 WeakPolarHBondContact O-CB 3.27Å; N325-K329 VanDerWaalsContact O-CG 3.28Å; N325-K329 WeakPolarHBondContact O-CG 2.84Å; N325-K329 PolarHBondContact O-N 3.41Å |
| 326 | V | 55 | Low | 53.2 | Low | 28 Ų | 28 | 90.1 Ų | 90.1 | 17% | 0.17 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -58.7 | -47 | 175.1 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | W317 D320 N322 E323 K329 L330 | W317-V326 HydrophobicContact CD2-CG1 4.35Å; W317-V326 HydrophobicContact CG-CG1 3.97Å; W317-V326 HydrophobicContact CG-CG2 4.4Å; D320-V326 HydrophobicContact CB-CG2 4.04Å; D320-V326 VanDerWaalsContact O-CG2 3.23Å; D320-V326 WeakPolarHBondContact O-CG2 3.21Å; N322-V326 WeakPolarHBondContact O-CG2 3.21Å; N322-V326 PolarHBondContact O-N 3.25Å; E323-V326 PolarHBondContact O-N 3.44Å; V326-K329 PolarHBondContact O-N 2.92Å; V326-L330 WeakPolarHBondContact O-CB 3.09Å; V326-L330 PolarHBondContact O-N 3.34Å |
| 327 | Q | 57.4 | Low | 53.6 | Low | 109 Ų | 109 | 85.4 Ų | 85.4 | 51% | 0.509 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 176.3 | -93.6 | -172.6 | -34.2 | 0 | 0 | 112.8 | E323 N325 L330 N331 | E323-Q327 WeakPolarHBondContact O-CB 3.21Å; E323-Q327 PolarHBondContact O-N 2.08Å; N325-Q327 VanDerWaalsContact C-N 3.35Å; N325-Q327 PolarHBondContact O-N 3.1Å; Q327-L330 PolarHBondContact O-N 3.17Å; Q327-N331 WeakPolarHBondContact O-CB 3.34Å; Q327-N331 VanDerWaalsContact O-CG 3.27Å; Q327-N331 PolarHBondContact O-N 3Å |
| 328 | K | 60.4 | Low | 53.8 | Low | 147 Ų | 147 | 87.7 Ų | 87.7 | 64% | 0.639 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62 | -44.9 | 176.7 | -77.9 | 177.2 | -177 | 178.4 | 0 | 111.5 | S324 N325 N331 F332 | S324-K328 WeakPolarHBondContact O-CB 3.49Å; S324-K328 VanDerWaalsContact O-CG 3.32Å; S324-K328 WeakPolarHBondContact O-CG 3.27Å; S324-K328 PolarHBondContact O-N 3.35Å; N325-K328 PolarHBondContact O-N 3.3Å; K328-N331 PolarHBondContact O-N 2.9Å; K328-F332 VanDerWaalsContact O-CB 3.31Å; K328-F332 WeakPolarHBondContact O-CB 3.32Å; K328-F332 PolarHBondContact O-N 3.44Å |
| 329 | K | 56.9 | Low | 54 | Low | 52 Ų | 52 | 87.8 Ų | 87.8 | 23% | 0.226 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 177 | -70 | 172.6 | 173.6 | 173.1 | 0 | 111.6 | D300 W317 D320 N325 V326 F332 C333 | D300-K329 HydrophobicContact CB-CD 4.28Å; W317-K329 HydrophobicContact CE3-CD 4.34Å; W317-K329 HydrophobicContact CH2-CB 3.35Å; W317-K329 HydrophobicContact CH2-CD 3.78Å; W317-K329 HydrophobicContact CH2-CG 4.14Å; W317-K329 HydrophobicContact CZ2-CB 3.7Å; W317-K329 HydrophobicContact CZ3-CB 4.06Å; W317-K329 HydrophobicContact CZ3-CD 3.56Å; W317-K329 HydrophobicContact CZ3-CG 4.42Å; D320-K329 IonicContact OD2-NZ 3.98Å; D320-K329 PolarHBondContact OD2-NZ 2.81Å; N325-K329 WeakPolarHBondContact O-CB 3.27Å; N325-K329 VanDerWaalsContact O-CG 3.28Å; N325-K329 WeakPolarHBondContact O-CG 2.84Å; N325-K329 PolarHBondContact O-N 3.41Å; V326-K329 PolarHBondContact O-N 2.92Å; K329-F332 PolarHBondContact O-N 2.93Å; K329-C333 PolarHBondContact O-N 2.81Å |
| 330 | L | 57.5 | Low | 54.1 | Low | 46 Ų | 46 | 84.5 Ų | 84.5 | 24% | 0.241 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62 | -52 | 174.7 | -176.5 | 70.5 | 0 | 0 | 0 | 110.9 | V315 V326 Q327 F332 C333 L334 | V315-L330 HydrophobicContact CG1-CD1 4.48Å; V315-L330 HydrophobicContact CG2-CD1 3.77Å; V326-L330 WeakPolarHBondContact O-CB 3.09Å; V326-L330 PolarHBondContact O-N 3.34Å; Q327-L330 PolarHBondContact O-N 3.17Å; L330-F332 VanDerWaalsContact C-N 3.28Å; L330-F332 PolarHBondContact O-N 3.38Å; L330-C333 PolarHBondContact O-N 3.49Å; L330-L334 HydrophobicContact CD1-CD1 4.32Å; L330-L334 HydrophobicContact CD1-CG 4.39Å; L330-L334 HydrophobicContact CD2-CD1 4.27Å; L330-L334 HydrophobicContact CG-CD1 3.79Å; L330-L334 HydrophobicContact CG-CG 4.26Å; L330-L334 WeakPolarHBondContact O-CB 3.28Å; L330-L334 VanDerWaalsContact O-CG 3.27Å; L330-L334 WeakPolarHBondContact O-CG 3.35Å; L330-L334 PolarHBondContact O-N 3.3Å |
| 331 | N | 57.2 | Low | 53.6 | Low | 90 Ų | 90 | 85.7 Ų | 85.7 | 48% | 0.481 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 178.1 | -72.7 | -8.5 | 0 | 0 | 0 | 111.2 | Q327 K328 L334 E335 | Q327-N331 WeakPolarHBondContact O-CB 3.34Å; Q327-N331 VanDerWaalsContact O-CG 3.27Å; Q327-N331 PolarHBondContact O-N 3Å; K328-N331 PolarHBondContact O-N 2.9Å; N331-L334 PolarHBondContact O-N 2.78Å; N331-E335 WeakPolarHBondContact O-CG 3.23Å; N331-E335 PolarHBondContact O-N 3.35Å |
| 332 | F | 56.7 | Low | 52.8 | Low | 112 Ų | 112 | 80.2 Ų | 80.2 | 49% | 0.491 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 176 | -178.4 | -96.4 | 0 | 0 | 0 | 112.6 | K328 K329 L330 R336 | K328-F332 VanDerWaalsContact O-CB 3.31Å; K328-F332 WeakPolarHBondContact O-CB 3.32Å; K328-F332 PolarHBondContact O-N 3.44Å; K329-F332 PolarHBondContact O-N 2.93Å; L330-F332 VanDerWaalsContact C-N 3.28Å; L330-F332 PolarHBondContact O-N 3.38Å; F332-R336 PolarHBondContact O-N 2.94Å |
| 333 | C | 49.9 | Very low | 51.6 | Low | 6 Ų | 6 | 84.4 Ų | 84.4 | 4% | 0.041 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -67.5 | -36.2 | 175 | -80.2 | 0 | 0 | 0 | 0 | 111.6 | C297 F304 K329 L330 R336 L337 | C297-C333 WeakPolarHBondContact CB-SG 3.36Å; C297-C333 WeakPolarHBondContact SG-CB 3.47Å; C297-C333 CovalentContact SG-SG 2.08Å; C297-C333 PolarHBondContact SG-SG 2.86Å; F304-C333 HydrophobicContact CE2-CB 4.47Å; F304-C333 HydrophobicContact CZ-CB 3.82Å; K329-C333 PolarHBondContact O-N 2.81Å; L330-C333 PolarHBondContact O-N 3.49Å; C333-R336 PolarHBondContact O-N 2.81Å; C333-L337 WeakPolarHBondContact O-CB 3.49Å; C333-L337 WeakPolarHBondContact O-CG 3.49Å; C333-L337 PolarHBondContact O-N 2.95Å |
| 334 | L | 54.7 | Low | 50.5 | Low | 29 Ų | 29 | 78.2 Ų | 78.2 | 15% | 0.152 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 178 | -76.1 | 172.1 | 0 | 0 | 0 | 112.2 | L330 N331 R336 L337 I338 L344 | L330-L334 HydrophobicContact CD1-CD1 4.32Å; L330-L334 HydrophobicContact CD1-CG 4.39Å; L330-L334 HydrophobicContact CD2-CD1 4.27Å; L330-L334 HydrophobicContact CG-CD1 3.79Å; L330-L334 HydrophobicContact CG-CG 4.26Å; L330-L334 WeakPolarHBondContact O-CB 3.28Å; L330-L334 VanDerWaalsContact O-CG 3.27Å; L330-L334 WeakPolarHBondContact O-CG 3.35Å; L330-L334 PolarHBondContact O-N 3.3Å; N331-L334 PolarHBondContact O-N 2.78Å; L334-R336 VanDerWaalsContact C-N 3.27Å; L334-R336 PolarHBondContact O-N 3.24Å; L334-L337 WeakPolarHBondContact O-CB 3.31Å; L334-L337 PolarHBondContact O-N 2.97Å; L334-L337 VanDerWaalsContact O-N 3.13Å; L334-I338 WeakPolarHBondContact O-CG1 3.39Å; L334-I338 PolarHBondContact O-N 3.13Å; L334-L344 HydrophobicContact CD2-CD1 3.5Å; L334-L344 VanDerWaalsContact CD2-CD1 3.5Å; L334-L344 HydrophobicContact CD2-CD2 3.65Å; L334-L344 HydrophobicContact CD2-CG 4.13Å |
| 335 | E | 52.4 | Low | 49 | Very low | 135 Ų | 135 | 79.4 Ų | 79.4 | 63% | 0.631 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.5 | -39 | 177.4 | -73.2 | -142.2 | 163.5 | 0 | 0 | 111.7 | N331 I338 E339 | N331-E335 WeakPolarHBondContact O-CG 3.23Å; N331-E335 PolarHBondContact O-N 3.35Å; E335-I338 PolarHBondContact O-N 3.45Å; E335-E339 WeakPolarHBondContact O-CG 3.45Å; E335-E339 PolarHBondContact O-N 3.37Å; E335-E339 VanDerWaalsContact O-N 3.09Å |
| 336 | R | 48.9 | Very low | 47.9 | Very low | 119 Ų | 119 | 79.4 Ų | 79.4 | 45% | 0.449 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -71.7 | -31.8 | 175.5 | -92.1 | 54.1 | 158.4 | 109.6 | -9.6 | 113 | F332 C333 L334 I338 E339 T340 | F332-R336 PolarHBondContact O-N 2.94Å; C333-R336 PolarHBondContact O-N 2.81Å; L334-R336 VanDerWaalsContact C-N 3.27Å; L334-R336 PolarHBondContact O-N 3.24Å; R336-I338 VanDerWaalsContact C-N 3.33Å; R336-E339 WeakPolarHBondContact CD-OE2 3.48Å; R336-E339 IonicContact CZ-OE2 3.08Å; R336-E339 IonicContact NE-OE2 3.29Å; R336-E339 IonicContact NH1-OE1 2.83Å; R336-E339 PolarHBondContact NH1-OE1 3.22Å; R336-E339 VanDerWaalsContact NH1-OE1 3.09Å; R336-E339 IonicContact NH1-OE2 3.2Å; R336-E339 PolarHBondContact NH1-OE2 3.33Å; R336-E339 WeakPolarHBondContact O-CB 3.36Å; R336-E339 PolarHBondContact O-N 3.42Å; R336-T340 PolarHBondContact O-N 3.34Å; R336-T340 PolarHBondContact O-OG1 3.24Å |
| 337 | L | 47.1 | Very low | 46.7 | Very low | 10 Ų | 10 | 85.3 Ų | 85.3 | 5% | 0.052 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 172.7 | -80.7 | 165.1 | 0 | 0 | 0 | 111.3 | L147 C333 L334 E339 T340 F342 L344 | L147-L337 HydrophobicContact CD2-CD2 3.77Å; C333-L337 WeakPolarHBondContact O-CB 3.49Å; C333-L337 WeakPolarHBondContact O-CG 3.49Å; C333-L337 PolarHBondContact O-N 2.95Å; L334-L337 WeakPolarHBondContact O-CB 3.31Å; L334-L337 PolarHBondContact O-N 2.97Å; L334-L337 VanDerWaalsContact O-N 3.13Å; L337-E339 VanDerWaalsContact C-N 3.34Å; L337-T340 PolarHBondContact O-N 3.19Å; L337-T340 PolarHBondContact O-OG1 3.37Å; L337-F342 HydrophobicContact CD2-CD2 4.36Å; L337-F342 PolarHBondContact O-N 3.01Å; L337-L344 HydrophobicContact CB-CD1 3.64Å; L337-L344 HydrophobicContact CD1-CD1 4.2Å |
| 338 | I | 48 | Very low | 45.7 | Very low | 88 Ų | 88 | 86.5 Ų | 86.5 | 45% | 0.451 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 174 | -64.3 | 165.3 | 0 | 0 | 0 | 110.4 | L334 E335 R336 T340 G341 L344 | L334-I338 WeakPolarHBondContact O-CG1 3.39Å; L334-I338 PolarHBondContact O-N 3.13Å; E335-I338 PolarHBondContact O-N 3.45Å; R336-I338 VanDerWaalsContact C-N 3.33Å; I338-T340 PolarHBondContact O-N 3.43Å; I338-G341 PolarHBondContact O-N 3.18Å; I338-L344 HydrophobicContact CG1-CB 4.46Å; I338-L344 HydrophobicContact CG1-CD1 4.3Å |
| 339 | E | 43.5 | Very low | 44.4 | Very low | 129 Ų | 129 | 91.1 Ų | 91.1 | 60% | 0.603 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.1 | -29.4 | 175.6 | -74.3 | 176.3 | 160 | 0 | 0 | 113.3 | E335 R336 L337 G341 | E335-E339 WeakPolarHBondContact O-CG 3.45Å; E335-E339 PolarHBondContact O-N 3.37Å; E335-E339 VanDerWaalsContact O-N 3.09Å; R336-E339 WeakPolarHBondContact CD-OE2 3.48Å; R336-E339 IonicContact CZ-OE2 3.08Å; R336-E339 IonicContact NE-OE2 3.29Å; R336-E339 IonicContact NH1-OE1 2.83Å; R336-E339 PolarHBondContact NH1-OE1 3.22Å; R336-E339 VanDerWaalsContact NH1-OE1 3.09Å; R336-E339 IonicContact NH1-OE2 3.2Å; R336-E339 PolarHBondContact NH1-OE2 3.33Å; R336-E339 WeakPolarHBondContact O-CB 3.36Å; R336-E339 PolarHBondContact O-N 3.42Å; L337-E339 VanDerWaalsContact C-N 3.34Å; E339-G341 VanDerWaalsContact C-N 3.25Å; E339-G341 PolarHBondContact O-N 3.38Å |
| 340 | T | 44.8 | Very low | 43.2 | Very low | 73 Ų | 73 | 90.5 Ų | 90.5 | 45% | 0.448 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 3.1 | 177 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | R336 L337 I338 | R336-T340 PolarHBondContact O-N 3.34Å; R336-T340 PolarHBondContact O-OG1 3.24Å; L337-T340 PolarHBondContact O-N 3.19Å; L337-T340 PolarHBondContact O-OG1 3.37Å; I338-T340 PolarHBondContact O-N 3.43Å |
| 341 | G | 37.6 | Very low | 42.4 | Very low | 58 Ų | 58 | 100.3 Ų | 100.3 | 60% | 0.598 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | 11.9 | 174 | 0 | 0 | 0 | 0 | 0 | 115 | I338 E339 | I338-G341 PolarHBondContact O-N 3.18Å; E339-G341 VanDerWaalsContact C-N 3.25Å; E339-G341 PolarHBondContact O-N 3.38Å |
| 342 | F | 39.6 | Very low | 41.5 | Very low | 83 Ų | 83 | 103.1 Ų | 103.1 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | trans | -82 | 119.2 | 170.7 | -71 | -87.6 | 0 | 0 | 0 | 110.3 | L145 L337 L344 | L145-F342 HydrophobicContact CD2-CD1 4.27Å; L145-F342 HydrophobicContact CD2-CE1 3.5Å; L145-F342 VanDerWaalsContact CD2-CE1 3.5Å; L145-F342 HydrophobicContact CD2-CZ 3.66Å; L337-F342 HydrophobicContact CD2-CD2 4.36Å; L337-F342 PolarHBondContact O-N 3.01Å; F342-L344 PolarHBondContact O-N 3.08Å | ||
| 343 | H | 34.3 | Very low | 40.3 | Very low | 172 Ų | 172 | 102.7 Ų | 102.7 | 80% | 0.796 | 52% | 0.516 | S | S | * | . | trans | -76.3 | 103.6 | 171.2 | -74.3 | -74.2 | 0 | 0 | 0 | 109.9 | ||||
| 344 | L | 37.3 | Very low | 39.2 | Very low | 26 Ų | 26 | 109.6 Ų | 109.6 | 14% | 0.136 | 55% | 0.548 | C | S | . | . | trans | -93.9 | 98.7 | -179.4 | -97.7 | 147.7 | 0 | 0 | 0 | 109.9 | L313 L334 L337 I338 F342 T346 | L313-L344 HydrophobicContact CD1-CD2 4.26Å; L334-L344 HydrophobicContact CD2-CD1 3.5Å; L334-L344 VanDerWaalsContact CD2-CD1 3.5Å; L334-L344 HydrophobicContact CD2-CD2 3.65Å; L334-L344 HydrophobicContact CD2-CG 4.13Å; L337-L344 HydrophobicContact CB-CD1 3.64Å; L337-L344 HydrophobicContact CD1-CD1 4.2Å; I338-L344 HydrophobicContact CG1-CB 4.46Å; I338-L344 HydrophobicContact CG1-CD1 4.3Å; F342-L344 PolarHBondContact O-N 3.08Å; L344-T346 PolarHBondContact O-N 3.28Å; L344-T346 VanDerWaalsContact O-N 3.1Å | ||
| 345 | V | 32.6 | Very low | 38 | Very low | 92 Ų | 92 | 115.9 Ų | 115.9 | 56% | 0.558 | 57% | 0.57 | S | S | * | * | trans | -79.7 | 97 | 173 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | W355 | V345-W355 HydrophobicContact CG1-CD2 4.25Å; V345-W355 HydrophobicContact CG1-CE3 3.19Å; V345-W355 HydrophobicContact CG1-CZ3 3.4Å; V345-W355 VanDerWaalsContact CG1-CZ3 3.4Å | ||
| 346 | T | 33.4 | Very low | 36.7 | Very low | 63 Ų | 63 | 118.3 Ų | 118.3 | 39% | 0.387 | 57% | 0.573 | S | S | . | * | trans | -78.1 | 129.9 | 177.9 | 65 | 0 | 0 | 0 | 0 | 110.5 | L344 R356 | L344-T346 PolarHBondContact O-N 3.28Å; L344-T346 VanDerWaalsContact O-N 3.1Å; T346-R356 PolarHBondContact OG1-O 2.94Å | ||
| 347 | K | 31.3 | Very low | 35.7 | Very low | 152 Ų | 152 | 118.1 Ų | 118.1 | 66% | 0.661 | 59% | 0.59 | S | S | * | * | trans | -106.5 | 94.5 | 172.9 | -169.8 | 177.3 | -175 | 172 | 0 | 109.3 | R349 W355 | K347-R349 PolarHBondContact O-N 3.09Å; K347-W355 HydrophobicContact CB-CH2 4.35Å; K347-W355 HydrophobicContact CB-CZ3 3.92Å; K347-W355 HydrophobicContact CD-CH2 4.04Å; K347-W355 HydrophobicContact CD-CZ3 4.45Å; K347-W355 HydrophobicContact CG-CH2 4.13Å; K347-W355 HydrophobicContact CG-CZ3 4.16Å | ||
| 348 | N | 35.5 | Very low | 35.1 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 72% | 0.717 | 62% | 0.617 | S | S | * | * | trans | -76.2 | 114.5 | 173.4 | -147.5 | -10.5 | 0 | 0 | 0 | 108.4 | G350 | N348-G350 PolarHBondContact O-N 3.36Š| ||
| 349 | R | 34.3 | Very low | 34.4 | Very low | 244 Ų | 244 | 125.4 Ų | 125.4 | 92% | 0.921 | 63% | 0.626 | S | S | * | * | trans | -76 | 48.6 | 170.4 | -83.5 | -173.9 | 173.7 | 170.7 | 0.4 | 110.2 | K347 | K347-R349 PolarHBondContact O-N 3.09Š| ||
| 350 | G | 31.9 | Very low | 33.9 | Very low | 40 Ų | 40 | 125.2 Ų | 125.2 | 41% | 0.412 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -109.9 | 153.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | N348 D352 | N348-G350 PolarHBondContact O-N 3.36Å; G350-D352 PolarHBondContact O-N 2.86Å |
| 351 | R | 40.4 | Very low | 33.3 | Very low | 252 Ų | 252 | 128.3 Ų | 128.3 | 95% | 0.951 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -57.9 | -13.9 | -165.4 | -98.5 | 177.9 | -99.1 | -169.9 | -5.3 | 116.4 | ||
| 352 | D | 38.6 | Very low | 33 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -115.8 | 98 | 178.9 | -61 | -42.8 | 0 | 0 | 0 | 109.3 | G350 E354 | G350-D352 PolarHBondContact O-N 2.86Å; D352-E354 VanDerWaalsContact C-N 3.32Å; D352-E354 PolarHBondContact O-N 3.09Å |
| 353 | S | 31 | Very low | 32.6 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | trans | -72.8 | 76.9 | -176.4 | 49.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 354 | E | 27.1 | Very low | 32.4 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | trans | -107.2 | 110.1 | 164.3 | -79.5 | -173.2 | 164.5 | 0 | 0 | 109.6 | D352 R356 | D352-E354 VanDerWaalsContact C-N 3.32Å; D352-E354 PolarHBondContact O-N 3.09Å; E354-R356 PolarHBondContact O-N 2.53Å | ||
| 355 | W | 27.8 | Very low | 32.1 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 61% | 0.606 | 69% | 0.688 | S | S | * | * | trans | -65.6 | 109.9 | 168.6 | -61 | 92.4 | 0 | 0 | 0 | 107.9 | V345 K347 | V345-W355 HydrophobicContact CG1-CD2 4.25Å; V345-W355 HydrophobicContact CG1-CE3 3.19Å; V345-W355 HydrophobicContact CG1-CZ3 3.4Å; V345-W355 VanDerWaalsContact CG1-CZ3 3.4Å; K347-W355 HydrophobicContact CB-CH2 4.35Å; K347-W355 HydrophobicContact CB-CZ3 3.92Å; K347-W355 HydrophobicContact CD-CH2 4.04Å; K347-W355 HydrophobicContact CD-CZ3 4.45Å; K347-W355 HydrophobicContact CG-CH2 4.13Å; K347-W355 HydrophobicContact CG-CZ3 4.16Å | ||
| 356 | R | 27 | Very low | 32 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | trans | -90.8 | 113.2 | 164.4 | -68.1 | -171.6 | -179.1 | -174.8 | 0.2 | 107.4 | T346 E354 | T346-R356 PolarHBondContact OG1-O 2.94Å; E354-R356 PolarHBondContact O-N 2.53Å | ||
| 357 | S | 26.1 | Very low | 31.9 | Very low | 115 Ų | 115 | 153.4 Ų | 153.4 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | -70 | 0 | 173.3 | 59.2 | 0 | 0 | 0 | 0 | 112.2 |
Retrieved 357 of 357 residues in 83.1 ms
(Link to these results)