| 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 | 50.9 | Low | 59.6 | Low | 212 Ų | 212 | 116.8 Ų | 116.8 | 100% | 1.044 | 61% | 0.614 | S | S | * | * | 0 | 15.7 | 0 | -76.3 | 177.5 | 173.4 | 0 | 0 | 112 | |||||
| 2 | D | 56.8 | Low | 60.8 | Low | 137 Ų | 137 | 109.8 Ų | 109.8 | 73% | 0.733 | 59% | 0.591 | S | S | * | * | trans | -99.8 | -19.4 | -168.9 | -63 | -50.5 | 0 | 0 | 0 | 115.9 | ||||
| 3 | Q | 57.1 | Low | 62 | Low | 167 Ų | 167 | 110.3 Ų | 110.3 | 78% | 0.78 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -74.3 | -36.9 | -179.4 | -84.8 | 150.6 | -26.3 | 0 | 0 | 113.4 | N5 Y6 D7 | Q3-N5 VanDerWaalsContact C-N 3.32Å; Q3-N5 PolarHBondContact O-N 2.65Å; Q3-Y6 PolarHBondContact O-N 3.19Å; Q3-D7 PolarHBondContact O-N 2.95Å |
| 4 | S | 56.3 | Low | 63.2 | Low | 73 Ų | 73 | 107.9 Ų | 107.9 | 51% | 0.51 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.2 | -31.3 | -179.9 | 59 | 0 | 0 | 0 | 0 | 113.4 | Q8 | S4-Q8 WeakPolarHBondContact O-CG 3.24Å; S4-Q8 PolarHBondContact O-N 2.95Å; S4-Q8 VanDerWaalsContact O-N 3.14Å |
| 5 | N | 56.3 | Low | 64.5 | Low | 103 Ų | 103 | 108.5 Ų | 108.5 | 55% | 0.551 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -72.4 | -34.5 | 176.5 | -92.9 | -30.5 | 0 | 0 | 0 | 112.1 | Q3 A9 | Q3-N5 VanDerWaalsContact C-N 3.32Å; Q3-N5 PolarHBondContact O-N 2.65Å; N5-A9 WeakPolarHBondContact O-CB 3.36Å; N5-A9 PolarHBondContact O-N 3.07Å |
| 6 | Y | 59.9 | Low | 65.5 | Low | 179 Ų | 179 | 110.1 Ų | 110.1 | 70% | 0.702 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.7 | -40.5 | 176.7 | -169.6 | -95.7 | 0 | 0 | 0 | 111.7 | Q3 A9 S10 | Q3-Y6 PolarHBondContact O-N 3.19Å; Y6-A9 PolarHBondContact O-N 3.16Å; Y6-S10 WeakPolarHBondContact O-CB 3.44Å; Y6-S10 PolarHBondContact O-N 3.46Å; Y6-S10 PolarHBondContact O-OG 3.3Å |
| 7 | D | 58.3 | Low | 66.7 | Low | 95 Ų | 95 | 110.6 Ų | 110.6 | 51% | 0.508 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.1 | -35 | 176.5 | -68.7 | -26.6 | 0 | 0 | 0 | 112.6 | Q3 S10 T11 | Q3-D7 PolarHBondContact O-N 2.95Å; D7-S10 PolarHBondContact O-OG 3.01Å; D7-S10 VanDerWaalsContact O-OG 3.05Å; D7-T11 WeakPolarHBondContact O-CB 3.18Å; D7-T11 VanDerWaalsContact O-CG2 3.27Å; D7-T11 WeakPolarHBondContact O-CG2 3.36Å; D7-T11 PolarHBondContact O-N 3.38Å; D7-T11 PolarHBondContact O-OG1 2.98Å |
| 8 | Q | 60 | Low | 67.8 | Low | 132 Ų | 132 | 108.3 Ų | 108.3 | 62% | 0.617 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.8 | -37.4 | 172.6 | -76.5 | 179.9 | -3.1 | 0 | 0 | 112.4 | S4 T11 G12 | S4-Q8 WeakPolarHBondContact O-CG 3.24Å; S4-Q8 PolarHBondContact O-N 2.95Å; S4-Q8 VanDerWaalsContact O-N 3.14Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.29Å; Q8-T11 PolarHBondContact O-OG1 3.33Å; Q8-G12 PolarHBondContact O-N 3.47Å |
| 9 | A | 62.5 | Low | 68.7 | Low | 56 Ų | 56 | 105.4 Ų | 105.4 | 46% | 0.463 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.3 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N5 Y6 G12 L13 | N5-A9 WeakPolarHBondContact O-CB 3.36Å; N5-A9 PolarHBondContact O-N 3.07Å; Y6-A9 PolarHBondContact O-N 3.16Å; A9-G12 PolarHBondContact O-N 3.13Å; A9-L13 PolarHBondContact O-N 3.1Å |
| 10 | S | 65.3 | Low | 69.6 | Low | 52 Ų | 52 | 104.3 Ų | 104.3 | 36% | 0.364 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.5 | -39.8 | 179.1 | 73.8 | 0 | 0 | 0 | 0 | 112.3 | Y6 D7 L13 S14 | Y6-S10 WeakPolarHBondContact O-CB 3.44Å; Y6-S10 PolarHBondContact O-N 3.46Å; Y6-S10 PolarHBondContact O-OG 3.3Å; D7-S10 PolarHBondContact O-OG 3.01Å; D7-S10 VanDerWaalsContact O-OG 3.05Å; S10-L13 PolarHBondContact O-N 2.8Å; S10-S14 WeakPolarHBondContact O-CB 3.36Å; S10-S14 PolarHBondContact O-N 3.45Å |
| 11 | T | 72.1 | Confident | 70.5 | Confident | 79 Ų | 79 | 102 Ų | 102 | 49% | 0.485 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.9 | -39 | 173.5 | 50.9 | 0 | 0 | 0 | 0 | 112 | D7 Q8 S14 L15 | D7-T11 WeakPolarHBondContact O-CB 3.18Å; D7-T11 VanDerWaalsContact O-CG2 3.27Å; D7-T11 WeakPolarHBondContact O-CG2 3.36Å; D7-T11 PolarHBondContact O-N 3.38Å; D7-T11 PolarHBondContact O-OG1 2.98Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.29Å; Q8-T11 PolarHBondContact O-OG1 3.33Å; T11-S14 PolarHBondContact O-N 3.35Å; T11-L15 WeakPolarHBondContact O-CG 3.28Å; T11-L15 PolarHBondContact O-N 3.27Å |
| 12 | G | 73.8 | Confident | 72.3 | Confident | 32 Ų | 32 | 99 Ų | 99 | 33% | 0.33 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q8 A9 L15 Q16 | Q8-G12 PolarHBondContact O-N 3.47Å; A9-G12 PolarHBondContact O-N 3.13Å; G12-L15 PolarHBondContact O-N 2.99Å; G12-Q16 WeakPolarHBondContact O-CG 3.32Å; G12-Q16 PolarHBondContact O-N 3.25Å; G12-Q16 VanDerWaalsContact O-N 3.09Å |
| 13 | L | 77 | Confident | 73.7 | Confident | 117 Ų | 117 | 98.8 Ų | 98.8 | 61% | 0.613 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.1 | -39.6 | 175.3 | -77.2 | 166.3 | 0 | 0 | 0 | 112.4 | A9 S10 Q16 L17 | A9-L13 PolarHBondContact O-N 3.1Å; S10-L13 PolarHBondContact O-N 2.8Å; L13-Q16 PolarHBondContact O-N 3.43Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 2.86Å |
| 14 | S | 79 | Confident | 75.2 | Confident | 76 Ų | 76 | 96.3 Ų | 96.3 | 53% | 0.531 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 175.9 | -177 | 0 | 0 | 0 | 0 | 112 | S10 T11 L17 S18 | S10-S14 WeakPolarHBondContact O-CB 3.36Å; S10-S14 PolarHBondContact O-N 3.45Å; T11-S14 PolarHBondContact O-N 3.35Å; S14-L17 PolarHBondContact O-N 2.92Å; S14-S18 PolarHBondContact O-N 3.02Å |
| 15 | L | 81.6 | Confident | 76.6 | Confident | 118 Ų | 118 | 95 Ų | 95 | 62% | 0.618 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.6 | -42.5 | 175.9 | -73.6 | 168.3 | 0 | 0 | 0 | 111.9 | T11 G12 S18 A19 | T11-L15 WeakPolarHBondContact O-CG 3.28Å; T11-L15 PolarHBondContact O-N 3.27Å; G12-L15 PolarHBondContact O-N 2.99Å; L15-S18 PolarHBondContact O-N 3.08Å; L15-S18 PolarHBondContact O-OG 3.07Å; L15-A19 PolarHBondContact O-N 3.17Å |
| 16 | Q | 80.4 | Confident | 78 | Confident | 133 Ų | 133 | 91.8 Ų | 91.8 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.7 | -45.9 | 175.8 | -70.4 | -105.3 | -30.3 | 0 | 0 | 112.1 | G12 L13 S18 A19 I20 | G12-Q16 WeakPolarHBondContact O-CG 3.32Å; G12-Q16 PolarHBondContact O-N 3.25Å; G12-Q16 VanDerWaalsContact O-N 3.09Å; L13-Q16 PolarHBondContact O-N 3.43Å; Q16-S18 VanDerWaalsContact C-N 3.32Å; Q16-S18 PolarHBondContact O-N 3.19Å; Q16-A19 PolarHBondContact O-N 3.48Å; Q16-I20 WeakPolarHBondContact O-CG1 3.22Å; Q16-I20 PolarHBondContact O-N 3.15Å; Q16-I20 VanDerWaalsContact O-N 3.07Å |
| 17 | L | 86.3 | Confident | 79.1 | Confident | 120 Ų | 120 | 89 Ų | 89 | 63% | 0.628 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.9 | -38.3 | 177.5 | -73.2 | 168.5 | 0 | 0 | 0 | 111.9 | L13 S14 I20 A21 | L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 2.86Å; S14-L17 PolarHBondContact O-N 2.92Å; L17-I20 PolarHBondContact O-N 2.91Å; L17-A21 WeakPolarHBondContact O-CB 3.25Å; L17-A21 PolarHBondContact O-N 3.27Å |
| 18 | S | 87.4 | Confident | 80.5 | Confident | 69 Ų | 69 | 91.7 Ų | 91.7 | 48% | 0.483 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 176.1 | 78.5 | 0 | 0 | 0 | 0 | 112.8 | S14 L15 Q16 A21 Y22 | S14-S18 PolarHBondContact O-N 3.02Å; L15-S18 PolarHBondContact O-N 3.08Å; L15-S18 PolarHBondContact O-OG 3.07Å; Q16-S18 VanDerWaalsContact C-N 3.32Å; Q16-S18 PolarHBondContact O-N 3.19Å; S18-A21 PolarHBondContact O-N 3.4Å; S18-Y22 PolarHBondContact O-N 2.7Å |
| 19 | A | 83.7 | Confident | 81.5 | Confident | 52 Ų | 52 | 91.1 Ų | 91.1 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67 | -43.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L15 Q16 A21 Y22 E23 | L15-A19 PolarHBondContact O-N 3.17Å; Q16-A19 PolarHBondContact O-N 3.48Å; A19-A21 PolarHBondContact O-N 3.22Å; A19-Y22 WeakPolarHBondContact O-CB 3.45Å; A19-Y22 PolarHBondContact O-N 3.14Å; A19-E23 PolarHBondContact O-N 3.46Å |
| 20 | I | 87.4 | Confident | 82.3 | Confident | 83 Ų | 83 | 93.9 Ų | 93.9 | 43% | 0.426 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 176.4 | -64.7 | 166.4 | 0 | 0 | 0 | 110.8 | Q16 L17 Y22 E23 Q24 | Q16-I20 WeakPolarHBondContact O-CG1 3.22Å; Q16-I20 PolarHBondContact O-N 3.15Å; Q16-I20 VanDerWaalsContact O-N 3.07Å; L17-I20 PolarHBondContact O-N 2.91Å; I20-Y22 VanDerWaalsContact C-N 3.3Å; I20-Y22 PolarHBondContact O-N 2.89Å; I20-E23 PolarHBondContact O-N 3.21Å; I20-Q24 WeakPolarHBondContact O-CG 3.48Å; I20-Q24 PolarHBondContact O-N 3.4Å |
| 21 | A | 88.1 | Confident | 82.8 | Confident | 57 Ų | 57 | 94.9 Ų | 94.9 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L17 S18 A19 S25 | L17-A21 WeakPolarHBondContact O-CB 3.25Å; L17-A21 PolarHBondContact O-N 3.27Å; S18-A21 PolarHBondContact O-N 3.4Å; A19-A21 PolarHBondContact O-N 3.22Å; A21-S25 PolarHBondContact O-N 2.79Å |
| 22 | Y | 88.9 | Confident | 83.1 | Confident | 150 Ų | 150 | 93.8 Ų | 93.8 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.7 | -47.2 | 174.8 | -177.4 | -97.3 | 0 | 0 | 0 | 112 | S18 A19 I20 Q24 S25 V26 | S18-Y22 PolarHBondContact O-N 2.7Å; A19-Y22 WeakPolarHBondContact O-CB 3.45Å; A19-Y22 PolarHBondContact O-N 3.14Å; I20-Y22 VanDerWaalsContact C-N 3.3Å; I20-Y22 PolarHBondContact O-N 2.89Å; Y22-Q24 VanDerWaalsContact C-N 3.33Å; Y22-Q24 PolarHBondContact O-N 3.34Å; Y22-S25 WeakPolarHBondContact O-CB 3.41Å; Y22-S25 PolarHBondContact O-N 3.13Å; Y22-S25 PolarHBondContact O-OG 3.26Å; Y22-V26 HydrophobicContact CD1-CG2 4.1Å; Y22-V26 HydrophobicContact CE1-CG2 3.69Å; Y22-V26 WeakPolarHBondContact O-CG2 3.39Å; Y22-V26 PolarHBondContact O-N 2.96Å |
| 23 | E | 85.6 | Confident | 83 | Confident | 131 Ų | 131 | 96.5 Ų | 96.5 | 61% | 0.612 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.5 | -42.2 | 177.2 | -72.5 | -170.7 | 165.6 | 0 | 0 | 112.1 | A19 I20 S25 V26 L27 | A19-E23 PolarHBondContact O-N 3.46Å; I20-E23 PolarHBondContact O-N 3.21Å; E23-S25 VanDerWaalsContact C-N 3.31Å; E23-S25 PolarHBondContact O-N 3.32Å; E23-V26 PolarHBondContact O-N 3.29Å; E23-L27 WeakPolarHBondContact O-CG 3.41Å; E23-L27 PolarHBondContact O-N 3.5Å |
| 24 | Q | 88.3 | Confident | 82.8 | Confident | 115 Ų | 115 | 93.2 Ų | 93.2 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -36.5 | 174.3 | -71.8 | -176.5 | -4.8 | 0 | 0 | 112.3 | I20 Y22 V26 K28 | I20-Q24 WeakPolarHBondContact O-CG 3.48Å; I20-Q24 PolarHBondContact O-N 3.4Å; Y22-Q24 VanDerWaalsContact C-N 3.33Å; Y22-Q24 PolarHBondContact O-N 3.34Å; Q24-V26 VanDerWaalsContact C-N 3.35Å; Q24-K28 WeakPolarHBondContact O-CG 3.3Å; Q24-K28 PolarHBondContact O-N 2.73Å |
| 25 | S | 87.2 | Confident | 82.4 | Confident | 45 Ų | 45 | 92 Ų | 92 | 32% | 0.315 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.1 | -36.2 | 175.7 | 85.6 | 0 | 0 | 0 | 0 | 112.7 | A21 Y22 E23 R29 | A21-S25 PolarHBondContact O-N 2.79Å; Y22-S25 WeakPolarHBondContact O-CB 3.41Å; Y22-S25 PolarHBondContact O-N 3.13Å; Y22-S25 PolarHBondContact O-OG 3.26Å; E23-S25 VanDerWaalsContact C-N 3.31Å; E23-S25 PolarHBondContact O-N 3.32Å; S25-R29 PolarHBondContact O-N 3.5Å; S25-R29 VanDerWaalsContact O-N 3.16Å; S25-R29 PolarHBondContact O-NE 3.44Å; S25-R29 PolarHBondContact OG-NH2 3.34Å |
| 26 | V | 86.2 | Confident | 81.9 | Confident | 36 Ų | 36 | 91.8 Ų | 91.8 | 22% | 0.218 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -71.7 | -43.5 | 178.6 | 172.7 | 0 | 0 | 0 | 0 | 110 | Y22 E23 Q24 K28 R29 H30 | Y22-V26 HydrophobicContact CD1-CG2 4.1Å; Y22-V26 HydrophobicContact CE1-CG2 3.69Å; Y22-V26 WeakPolarHBondContact O-CG2 3.39Å; Y22-V26 PolarHBondContact O-N 2.96Å; E23-V26 PolarHBondContact O-N 3.29Å; Q24-V26 VanDerWaalsContact C-N 3.35Å; V26-K28 PolarHBondContact O-N 2.87Å; V26-R29 VanDerWaalsContact CG2-NH2 3.3Å; V26-R29 PolarHBondContact O-N 3.28Å; V26-H30 PolarHBondContact O-CD2 3.02Å; V26-H30 VanDerWaalsContact O-CD2 3.26Å; V26-H30 PolarHBondContact O-N 2.77Å |
| 27 | L | 82.8 | Confident | 81.3 | Confident | 121 Ų | 121 | 93.6 Ų | 93.6 | 63% | 0.634 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.4 | -41.6 | 175.6 | -72.1 | 171.2 | 0 | 0 | 0 | 112.1 | E23 R29 H30 S31 | E23-L27 WeakPolarHBondContact O-CG 3.41Å; E23-L27 PolarHBondContact O-N 3.5Å; L27-R29 PolarHBondContact O-N 3.5Å; L27-H30 PolarHBondContact O-N 3.43Å; L27-S31 WeakPolarHBondContact O-CB 3.15Å; L27-S31 PolarHBondContact O-N 3.11Å; L27-S31 PolarHBondContact O-OG 3Å |
| 28 | K | 86.6 | Confident | 80.4 | Confident | 151 Ų | 151 | 94.3 Ų | 94.3 | 66% | 0.657 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.8 | -44.4 | 173.6 | -77.8 | -178.8 | 178.9 | -179.6 | 0 | 111.7 | Q24 V26 S31 S32 | Q24-K28 WeakPolarHBondContact O-CG 3.3Å; Q24-K28 PolarHBondContact O-N 2.73Å; V26-K28 PolarHBondContact O-N 2.87Å; K28-S31 PolarHBondContact O-N 3.32Å; K28-S31 PolarHBondContact O-OG 3.41Å; K28-S32 PolarHBondContact O-N 2.77Å; K28-S32 PolarHBondContact O-OG 2.67Å |
| 29 | R | 80.5 | Confident | 79.1 | Confident | 121 Ų | 121 | 94 Ų | 94 | 46% | 0.457 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 175.8 | -79.1 | -178.4 | -82.4 | 148 | -9.8 | 112.7 | S25 V26 L27 S31 S32 E33 | S25-R29 PolarHBondContact O-N 3.5Å; S25-R29 VanDerWaalsContact O-N 3.16Å; S25-R29 PolarHBondContact O-NE 3.44Å; S25-R29 PolarHBondContact OG-NH2 3.34Å; V26-R29 VanDerWaalsContact CG2-NH2 3.3Å; V26-R29 PolarHBondContact O-N 3.28Å; L27-R29 PolarHBondContact O-N 3.5Å; R29-S31 VanDerWaalsContact C-N 3.32Å; R29-S31 PolarHBondContact O-N 2.72Å; R29-S32 WeakPolarHBondContact CA-OG 3.3Å; R29-S32 PolarHBondContact O-N 3.17Å; R29-S32 PolarHBondContact O-OG 3.29Å; R29-E33 WeakPolarHBondContact O-CB 3.4Å; R29-E33 VanDerWaalsContact O-CG 3.32Å; R29-E33 WeakPolarHBondContact O-CG 3.46Å; R29-E33 PolarHBondContact O-N 3.37Å |
| 30 | H | 79.2 | Confident | 77.9 | Confident | 113 Ų | 113 | 94.6 Ų | 94.6 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -35.7 | 176.1 | -75.4 | -57.7 | 0 | 0 | 0 | 112.8 | V26 L27 E33 A34 | V26-H30 PolarHBondContact O-CD2 3.02Å; V26-H30 VanDerWaalsContact O-CD2 3.26Å; V26-H30 PolarHBondContact O-N 2.77Å; L27-H30 PolarHBondContact O-N 3.43Å; H30-E33 IonicContact ND1-OE2 2.89Å; H30-E33 PolarHBondContact O-N 2.82Å; H30-A34 VanDerWaalsContact O-CB 3.29Å; H30-A34 WeakPolarHBondContact O-CB 3.31Å; H30-A34 PolarHBondContact O-N 3.43Å |
| 31 | S | 77.4 | Confident | 76.4 | Confident | 73 Ų | 73 | 97.8 Ų | 97.8 | 51% | 0.51 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 175.6 | 74.8 | 0 | 0 | 0 | 0 | 112.5 | L27 K28 R29 A34 A35 | L27-S31 WeakPolarHBondContact O-CB 3.15Å; L27-S31 PolarHBondContact O-N 3.11Å; L27-S31 PolarHBondContact O-OG 3Å; K28-S31 PolarHBondContact O-N 3.32Å; K28-S31 PolarHBondContact O-OG 3.41Å; R29-S31 VanDerWaalsContact C-N 3.32Å; R29-S31 PolarHBondContact O-N 2.72Å; S31-A34 PolarHBondContact O-N 3.06Å; S31-A35 WeakPolarHBondContact O-CB 3.31Å; S31-A35 PolarHBondContact O-N 3.44Å |
| 32 | S | 77 | Confident | 74.7 | Confident | 57 Ų | 57 | 98.3 Ų | 98.3 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.7 | -37.4 | 175.3 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | K28 R29 A35 N36 | K28-S32 PolarHBondContact O-N 2.77Å; K28-S32 PolarHBondContact O-OG 2.67Å; R29-S32 WeakPolarHBondContact CA-OG 3.3Å; R29-S32 PolarHBondContact O-N 3.17Å; R29-S32 PolarHBondContact O-OG 3.29Å; S32-A35 PolarHBondContact O-N 3.3Å; S32-N36 WeakPolarHBondContact O-CB 3.45Å; S32-N36 PolarHBondContact O-N 3.4Å |
| 33 | E | 71.9 | Confident | 72.8 | Confident | 88 Ų | 88 | 94 Ų | 94 | 41% | 0.411 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 174.6 | -74.6 | 171.8 | -175.2 | 0 | 0 | 111.5 | R29 H30 N36 R37 | R29-E33 WeakPolarHBondContact O-CB 3.4Å; R29-E33 VanDerWaalsContact O-CG 3.32Å; R29-E33 WeakPolarHBondContact O-CG 3.46Å; R29-E33 PolarHBondContact O-N 3.37Å; H30-E33 IonicContact ND1-OE2 2.89Å; H30-E33 PolarHBondContact O-N 2.82Å; E33-N36 PolarHBondContact O-N 2.81Å; E33-R37 WeakPolarHBondContact O-CB 3.21Å; E33-R37 WeakPolarHBondContact O-CG 3.44Å; E33-R37 PolarHBondContact O-N 2.93Å |
| 34 | A | 72.6 | Confident | 70.8 | Confident | 48 Ų | 48 | 94.7 Ų | 94.7 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H30 S31 R37 Q38 | H30-A34 VanDerWaalsContact O-CB 3.29Å; H30-A34 WeakPolarHBondContact O-CB 3.31Å; H30-A34 PolarHBondContact O-N 3.43Å; S31-A34 PolarHBondContact O-N 3.06Å; A34-R37 PolarHBondContact O-N 2.98Å; A34-Q38 WeakPolarHBondContact O-CG 3.06Å; A34-Q38 PolarHBondContact O-N 2.75Å |
| 35 | A | 72.1 | Confident | 68.3 | Low | 50 Ų | 50 | 96.5 Ų | 96.5 | 41% | 0.413 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | S31 S32 Q38 A39 | S31-A35 WeakPolarHBondContact O-CB 3.31Å; S31-A35 PolarHBondContact O-N 3.44Å; S32-A35 PolarHBondContact O-N 3.3Å; A35-Q38 PolarHBondContact O-N 3.2Å; A35-A39 WeakPolarHBondContact O-CB 3.45Å; A35-A39 PolarHBondContact O-N 3.43Å |
| 36 | N | 70.8 | Confident | 65.9 | Low | 114 Ų | 114 | 100.9 Ų | 100.9 | 61% | 0.61 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.7 | -36.9 | 175.8 | -73.5 | -10.7 | 0 | 0 | 0 | 112.4 | S32 E33 A39 A40 | S32-N36 WeakPolarHBondContact O-CB 3.45Å; S32-N36 PolarHBondContact O-N 3.4Å; E33-N36 PolarHBondContact O-N 2.81Å; N36-A39 PolarHBondContact O-N 3.43Å; N36-A40 WeakPolarHBondContact O-CB 3.48Å; N36-A40 PolarHBondContact O-N 2.82Å |
| 37 | R | 68.4 | Low | 63.5 | Low | 172 Ų | 172 | 104.1 Ų | 104.1 | 65% | 0.649 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.1 | -42.9 | 173.5 | -75.1 | -179.7 | -167.5 | 171.5 | 6.3 | 111.8 | E33 A34 A39 A40 E41 | E33-R37 WeakPolarHBondContact O-CB 3.21Å; E33-R37 WeakPolarHBondContact O-CG 3.44Å; E33-R37 PolarHBondContact O-N 2.93Å; A34-R37 PolarHBondContact O-N 2.98Å; R37-A39 VanDerWaalsContact C-N 3.31Å; R37-A39 PolarHBondContact O-N 2.96Å; R37-A40 PolarHBondContact O-N 2.9Å; R37-E41 WeakPolarHBondContact O-CG 3.19Å; R37-E41 PolarHBondContact O-N 2.8Å |
| 38 | Q | 67.4 | Low | 61.6 | Low | 135 Ų | 135 | 104.1 Ų | 104.1 | 63% | 0.631 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.3 | -37.3 | 174.2 | -73.9 | 177.7 | -11.9 | 0 | 0 | 112 | A34 A35 A42 | A34-Q38 WeakPolarHBondContact O-CG 3.06Å; A34-Q38 PolarHBondContact O-N 2.75Å; A35-Q38 PolarHBondContact O-N 3.2Å; Q38-A42 WeakPolarHBondContact O-CB 3.39Å; Q38-A42 PolarHBondContact O-N 2.91Å |
| 39 | A | 59.6 | Low | 59 | Low | 62 Ų | 62 | 104.5 Ų | 104.5 | 51% | 0.512 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.5 | -36.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A35 N36 R37 G43 | A35-A39 WeakPolarHBondContact O-CB 3.45Å; A35-A39 PolarHBondContact O-N 3.43Å; N36-A39 PolarHBondContact O-N 3.43Å; R37-A39 VanDerWaalsContact C-N 3.31Å; R37-A39 PolarHBondContact O-N 2.96Å; A39-G43 PolarHBondContact O-N 3.21Å |
| 40 | A | 58.6 | Low | 56.8 | Low | 64 Ų | 64 | 104.8 Ų | 104.8 | 53% | 0.529 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68.3 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | N36 R37 G43 | N36-A40 WeakPolarHBondContact O-CB 3.48Å; N36-A40 PolarHBondContact O-N 2.82Å; R37-A40 PolarHBondContact O-N 2.9Å; A40-G43 PolarHBondContact O-N 2.77Å |
| 41 | E | 54.9 | Low | 54.5 | Low | 150 Ų | 150 | 108.2 Ų | 108.2 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -73 | -27.3 | 176.4 | -70.8 | 175.5 | 172.4 | 0 | 0 | 112.8 | R37 | R37-E41 WeakPolarHBondContact O-CG 3.19Å; R37-E41 PolarHBondContact O-N 2.8Å |
| 42 | A | 53.2 | Low | 52.5 | Low | 69 Ų | 69 | 108.4 Ų | 108.4 | 57% | 0.57 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -83.1 | -20.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q38 D44 | Q38-A42 WeakPolarHBondContact O-CB 3.39Å; Q38-A42 PolarHBondContact O-N 2.91Å; A42-D44 VanDerWaalsContact C-N 3.34Å; A42-D44 PolarHBondContact O-N 2.97Å |
| 43 | G | 48.3 | Very low | 50.5 | Low | 59 Ų | 59 | 114.8 Ų | 114.8 | 61% | 0.608 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -16.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A39 A40 | A39-G43 PolarHBondContact O-N 3.21Å; A40-G43 PolarHBondContact O-N 2.77Å |
| 44 | D | 43.2 | Very low | 48.7 | Very low | 146 Ų | 146 | 114 Ų | 114 | 78% | 0.781 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 11.8 | -178.6 | -80.6 | -31 | 0 | 0 | 0 | 114 | A42 | A42-D44 VanDerWaalsContact C-N 3.34Å; A42-D44 PolarHBondContact O-N 2.97Å |
| 45 | L | 35.7 | Very low | 47.1 | Very low | 152 Ų | 152 | 116.5 Ų | 116.5 | 80% | 0.796 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -137.9 | 55.8 | 179.2 | -72.7 | 175 | 0 | 0 | 0 | 113.9 | ||
| 46 | V | 37.9 | Very low | 45.2 | Very low | 137 Ų | 137 | 123.7 Ų | 123.7 | 83% | 0.83 | 73% | 0.728 | S | S | * | * | trans | -146.3 | 129.4 | 157.5 | -173.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 47 | S | 36.1 | Very low | 43.7 | Very low | 104 Ų | 104 | 123 Ų | 123 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -79.3 | -162.1 | -171.3 | -37.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 48 | P | 41.9 | Very low | 42.2 | Very low | 121 Ų | 121 | 119.2 Ų | 119.2 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | cis | -143.8 | 171.2 | 8.9 | 33.2 | -7.4 | 0 | 0 | 0 | 119.3 | ||||
| 49 | L | 31.8 | Very low | 40.6 | Very low | 159 Ų | 159 | 121 Ų | 121 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -50 | 155.6 | 178.9 | -80.2 | 74.2 | 0 | 0 | 0 | 116 | ||
| 50 | P | 34.5 | Very low | 39.4 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -81 | 145.3 | 168.8 | 34.4 | -30.3 | 0 | 0 | 0 | 112.1 | ||
| 51 | L | 31.8 | Very low | 38.2 | Very low | 185 Ų | 185 | 128.5 Ų | 128.5 | 97% | 0.969 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 133.3 | -175.8 | -61.1 | 157.7 | 0 | 0 | 0 | 114.2 | ||
| 52 | G | 35.8 | Very low | 37.1 | Very low | 78 Ų | 78 | 130.4 Ų | 130.4 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -141.5 | 108.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 53 | L | 33.4 | Very low | 36.6 | Very low | 190 Ų | 190 | 131.2 Ų | 131.2 | 100% | 0.995 | 78% | 0.775 | S | S | * | * | trans | -58.7 | 134.4 | 179 | -71.6 | 151.2 | 0 | 0 | 0 | 111.7 | ||||
| 54 | G | 35.3 | Very low | 36 | Very low | 71 Ų | 71 | 137.7 Ų | 137.7 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | -179.2 | 86.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 55 | T | 38.5 | Very low | 35.4 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 63% | 0.626 | 79% | 0.791 | S | S | * | * | trans | -17.5 | 114.7 | 165 | 55.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 56 | Y | 33.1 | Very low | 35.5 | Very low | 200 Ų | 200 | 137.2 Ų | 137.2 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | 22.5 | 171.5 | 129 | 62 | -115.3 | 0 | 0 | 0 | 122.7 | |||||
| 57 | P | 37.9 | Very low | 35.3 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | cis | -140 | 166.7 | -5.4 | 37.1 | -16.2 | 0 | 0 | 0 | 117.5 | ||||
| 58 | S | 36.8 | Very low | 35.4 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | trans | 54.8 | 150.3 | 135.3 | 63.4 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 59 | E | 34.5 | Very low | 35.1 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | 84.5 | 109.1 | 167 | -45.5 | -74.6 | 113.8 | 0 | 0 | 113.8 | ||||
| 60 | C | 34 | Very low | 35.3 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | -165.8 | 151 | 66.2 | -66.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 61 | L | 34.3 | Very low | 35.8 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -62.6 | 140.3 | -180 | -121.5 | 61.4 | 0 | 0 | 0 | 116.6 | ||||
| 62 | F | 31.3 | Very low | 36.2 | Very low | 190 Ų | 190 | 141.4 Ų | 141.4 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | trans | 52.1 | 173.4 | 130.9 | -86 | -103.6 | 0 | 0 | 0 | 120.9 | ||||
| 63 | P | 42 | Very low | 36.5 | Very low | 87 Ų | 87 | 143 Ų | 143 | 57% | 0.565 | 79% | 0.791 | S | S | * | * | -139.4 | -173.5 | -60.9 | 39.6 | -20.4 | 0 | 0 | 0 | 112.9 | |||||
| 64 | F | 35.2 | Very low | 37 | Very low | 194 Ų | 194 | 140.1 Ų | 140.1 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | 147.9 | 110.6 | 138 | -89 | -78.4 | 0 | 0 | 0 | 113.2 | ||||
| 65 | L | 31.9 | Very low | 36.7 | Very low | 168 Ų | 168 | 144.2 Ų | 144.2 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | trans | -91.4 | 147.4 | 157.2 | -81.5 | 162.1 | 0 | 0 | 0 | 109.3 | ||||
| 66 | P | 37.1 | Very low | 36.4 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -116.2 | 137.8 | 150.7 | 31.9 | -18.9 | 0 | 0 | 0 | 112.5 | ||||
| 67 | K | 34.2 | Very low | 36.5 | Very low | 208 Ų | 208 | 143.1 Ų | 143.1 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | -69.8 | 144.2 | 175.9 | -67.5 | 161.8 | 174.8 | 173.5 | 0 | 111.4 | ||||
| 68 | V | 37.2 | Very low | 36.3 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | -133.9 | 134.9 | 156.2 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 69 | P | 37.5 | Very low | 36.2 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 147 | -168.6 | 15.2 | 3.3 | 0 | 0 | 0 | 113.4 | ||
| 70 | L | 35.1 | Very low | 36.3 | Very low | 168 Ų | 168 | 146.6 Ų | 146.6 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 136.9 | 170.1 | -75.4 | 155.9 | 0 | 0 | 0 | 111 | ||
| 71 | P | 45.2 | Very low | 36.5 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 133.1 | 166.6 | 32.5 | -26.6 | 0 | 0 | 0 | 111.7 | ||
| 72 | L | 40 | Very low | 36.3 | Very low | 167 Ų | 167 | 146.9 Ų | 146.9 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 146 | 170.6 | -74 | 119.1 | 0 | 0 | 0 | 111.6 | ||
| 73 | P | 42.8 | Very low | 36.5 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 149.8 | 168.2 | 33.7 | -30.6 | 0 | 0 | 0 | 111.8 | ||
| 74 | P | 42.5 | Very low | 35.9 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 146.7 | -179.5 | 32.9 | -31.9 | 0 | 0 | 0 | 112 | ||
| 75 | L | 30.2 | Very low | 35.7 | Very low | 158 Ų | 158 | 147.9 Ų | 147.9 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 159.8 | 172.4 | -66.9 | 170.3 | 0 | 0 | 0 | 111.6 | ||
| 76 | L | 30.7 | Very low | 35.8 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | trans | 103.1 | 126.3 | 141.4 | -85.8 | 160.7 | 0 | 0 | 0 | 120.5 | ||||
| 77 | V | 35.4 | Very low | 36 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 74% | 0.739 | 82% | 0.816 | S | S | * | * | trans | 86 | 94.2 | 148 | -139.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 78 | N | 34.2 | Very low | 36.1 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | 8.7 | 135.8 | 127.1 | -68.2 | -20.5 | 0 | 0 | 0 | 121.4 | |||||
| 79 | E | 35.2 | Very low | 35.9 | Very low | 184 Ų | 184 | 148 Ų | 148 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | 108.6 | 140.4 | 134.9 | -75.8 | -100.1 | 121.3 | 0 | 0 | 119.8 | ||||
| 80 | P | 36.4 | Very low | 35.9 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 67% | 0.669 | 81% | 0.814 | S | S | * | * | trans | -111.1 | 161 | -153.7 | 39.5 | -26.8 | 0 | 0 | 0 | 113.4 | ||||
| 81 | S | 37.4 | Very low | 36 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -155.1 | 143.4 | 155.8 | 51.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 82 | L | 30.6 | Very low | 35.5 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -60 | 144.6 | -175.7 | -66.2 | 138.9 | 0 | 0 | 0 | 113.7 | ||||
| 83 | S | 34.9 | Very low | 35.3 | Very low | 103 Ų | 103 | 142.4 Ų | 142.4 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | -174.4 | 130.9 | 129.7 | 40.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 84 | L | 30.1 | Very low | 35 | Very low | 162 Ų | 162 | 145 Ų | 145 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | -62.7 | 140.8 | 170.9 | -80.1 | 81.1 | 0 | 0 | 0 | 111.5 | ||||
| 85 | W | 30.3 | Very low | 34.5 | Very low | 227 Ų | 227 | 151.3 Ų | 151.3 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -139.6 | 131.1 | 148.7 | -72.6 | 78 | 0 | 0 | 0 | 109.4 | ||||
| 86 | P | 34.2 | Very low | 34.6 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | trans | -90.5 | 140.7 | 172.6 | 34.4 | -27.8 | 0 | 0 | 0 | 110.2 | ||||
| 87 | I | 41.6 | Very low | 34.7 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | -122.8 | 129.6 | 169.6 | -59.8 | 177.6 | 0 | 0 | 0 | 109.3 | ||||
| 88 | S | 37.1 | Very low | 34.4 | Very low | 110 Ų | 110 | 150.2 Ų | 150.2 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | trans | -74.5 | 158.3 | -169.3 | 55 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 89 | Y | 33.7 | Very low | 34.3 | Very low | 238 Ų | 238 | 154.5 Ų | 154.5 | 93% | 0.933 | 84% | 0.836 | S | S | * | * | trans | -50.9 | 146.5 | 172.4 | -82.5 | -99.8 | 0 | 0 | 0 | 115.9 | ||||
| 90 | G | 37.5 | Very low | 33.9 | Very low | 75 Ų | 75 | 153.2 Ų | 153.2 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | trans | -143 | 115.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 91 | S | 36.8 | Very low | 33.6 | Very low | 113 Ų | 113 | 152.1 Ų | 152.1 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | trans | -37.4 | 159.6 | 163.8 | -73.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 92 | M | 33.7 | Very low | 33.2 | Very low | 188 Ų | 188 | 156.7 Ų | 156.7 | 93% | 0.926 | 84% | 0.835 | S | S | * | * | cis | -176.8 | 152.1 | 31.7 | -125.9 | 153.5 | 89.4 | 0 | 0 | 106.7 | ||||
| 93 | G | 36.6 | Very low | 33 | Very low | 81 Ų | 81 | 155 Ų | 155 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | 164.5 | 91.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 94 | L | 35.2 | Very low | 32.9 | Very low | 168 Ų | 168 | 158.4 Ų | 158.4 | 88% | 0.88 | 83% | 0.833 | S | S | * | * | trans | -59.6 | 142.9 | 177.6 | -72.2 | 141.9 | 0 | 0 | 0 | 113.7 | ||||
| 95 | W | 33.6 | Very low | 33.1 | Very low | 261 Ų | 261 | 155.5 Ų | 155.5 | 99% | 0.989 | 82% | 0.823 | S | S | * | * | trans | 161.4 | 115.4 | 146.8 | -93.9 | 43.7 | 0 | 0 | 0 | 103.8 | ||||
| 96 | G | 31.1 | Very low | 33 | Very low | 71 Ų | 71 | 152.4 Ų | 152.4 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | cis | 129.3 | 113.4 | 45.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 97 | S | 33.9 | Very low | 32.9 | Very low | 114 Ų | 114 | 151 Ų | 151 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | 84.3 | 97.8 | 163.6 | -61.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 98 | R | 28.9 | Very low | 32.3 | Very low | 227 Ų | 227 | 152.6 Ų | 152.6 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | 51.1 | 100.5 | 127.4 | -61.1 | -176 | -169.8 | -171 | 3.2 | 117.7 | |||||
| 99 | Y | 30.6 | Very low | 32 | Very low | 241 Ų | 241 | 152.5 Ų | 152.5 | 95% | 0.945 | 82% | 0.815 | S | S | * | * | -166.5 | 97.5 | 121.3 | -90.2 | -71 | 0 | 0 | 0 | 108.8 | |||||
| 100 | N | 27.8 | Very low | 32.2 | Very low | 157 Ų | 157 | 151.1 Ų | 151.1 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | trans | -76.5 | 143.9 | 159.6 | -128.8 | -4.5 | 0 | 0 | 0 | 106.5 | ||||
| 101 | S | 30.7 | Very low | 32.3 | Very low | 81 Ų | 81 | 153 Ų | 153 | 57% | 0.566 | 80% | 0.802 | S | S | * | * | cis | -161.6 | 134 | 2 | -50.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 102 | F | 29.4 | Very low | 32.5 | Very low | 219 Ų | 219 | 153.9 Ų | 153.9 | 96% | 0.961 | 80% | 0.797 | S | S | * | * | trans | -153.4 | 100.1 | 142.1 | -112.4 | -77.4 | 0 | 0 | 0 | 107.8 | ||||
| 103 | N | 25.4 | Very low | 32.6 | Very low | 132 Ų | 132 | 148.3 Ų | 148.3 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -71.4 | 127.9 | 174.4 | -167 | -5.9 | 0 | 0 | 0 | 108.5 | ||||
| 104 | M | 33 | Very low | 32.8 | Very low | 173 Ų | 173 | 147.5 Ų | 147.5 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | trans | -163.9 | 84.9 | 141.9 | -81.3 | -119.6 | 101.5 | 0 | 0 | 107 | ||||
| 105 | T | 33.5 | Very low | 32.8 | Very low | 102 Ų | 102 | 145.6 Ų | 145.6 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | trans | 25.5 | 107.3 | 133.7 | 51.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 106 | N | 27.9 | Very low | 33.1 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | trans | 72.3 | 146.1 | 132.9 | -103 | -1.3 | 0 | 0 | 0 | 121.6 | ||||
| 107 | P | 33.6 | Very low | 33.5 | Very low | 92 Ų | 92 | 140.2 Ų | 140.2 | 60% | 0.597 | 73% | 0.734 | S | S | * | * | -135.5 | 179.5 | -119.3 | 28.7 | -3 | 0 | 0 | 0 | 113.1 | |||||
| 108 | F | 28 | Very low | 33.8 | Very low | 200 Ų | 200 | 142.9 Ų | 142.9 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | trans | 40.5 | 88.1 | 154.4 | -78.4 | -77.5 | 0 | 0 | 0 | 118.3 | ||||
| 109 | S | 30.8 | Very low | 34.5 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | trans | -133.4 | 62.2 | 152.7 | 165.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 110 | Y | 38.6 | Very low | 34.8 | Very low | 209 Ų | 209 | 136 Ų | 136 | 82% | 0.82 | 72% | 0.716 | S | S | * | * | trans | -97.4 | 105 | 163.8 | -83.3 | -75.4 | 0 | 0 | 0 | 108 | L112 | Y110-L112 PolarHBondContact O-N 3.44Š| ||
| 111 | N | 38.9 | Very low | 35.1 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 62% | 0.615 | 72% | 0.716 | S | S | * | * | trans | -19.2 | 111.6 | 173.5 | -77.4 | -57.3 | 0 | 0 | 0 | 114.2 | A113 A114 | N111-A113 HydrophobicContact CB-CB 4.41Å; N111-A113 PolarHBondContact O-N 3.02Å; N111-A113 VanDerWaalsContact O-N 3.12Å; N111-A114 HydrophobicContact CB-CB 4.33Å; N111-A114 WeakPolarHBondContact O-CB 3.01Å; N111-A114 PolarHBondContact O-N 2.81Å | ||
| 112 | L | 40.5 | Very low | 35 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 69% | 0.686 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.8 | -28.1 | 164.3 | -169.2 | 64.9 | 0 | 0 | 0 | 111.4 | Y110 A114 M115 Q116 | Y110-L112 PolarHBondContact O-N 3.44Å; L112-A114 VanDerWaalsContact C-N 3.28Å; L112-A114 PolarHBondContact O-N 2.99Å; L112-M115 PolarHBondContact O-N 2.82Å; L112-Q116 PolarHBondContact O-N 2.89Å |
| 113 | A | 37.2 | Very low | 35.5 | Very low | 71 Ų | 71 | 137.2 Ų | 137.2 | 59% | 0.587 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -64.7 | -22.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N111 | N111-A113 HydrophobicContact CB-CB 4.41Å; N111-A113 PolarHBondContact O-N 3.02Å; N111-A113 VanDerWaalsContact O-N 3.12Å |
| 114 | A | 40.4 | Very low | 35.8 | Very low | 64 Ų | 64 | 139.3 Ų | 139.3 | 53% | 0.529 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -88.1 | -12.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N111 L112 | N111-A114 HydrophobicContact CB-CB 4.33Å; N111-A114 WeakPolarHBondContact O-CB 3.01Å; N111-A114 PolarHBondContact O-N 2.81Å; L112-A114 VanDerWaalsContact C-N 3.28Å; L112-A114 PolarHBondContact O-N 2.99Å |
| 115 | M | 35.8 | Very low | 35.8 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 63% | 0.626 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -87.3 | -30.9 | 174.2 | -75 | -173.6 | 170.3 | 0 | 0 | 112.4 | L112 A117 R118 | L112-M115 PolarHBondContact O-N 2.82Å; M115-A117 VanDerWaalsContact C-N 3.3Å; M115-A117 PolarHBondContact O-N 3.45Å; M115-R118 PolarHBondContact O-N 3.01Å |
| 116 | Q | 40 | Very low | 35.6 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -70.4 | -22.7 | -179.5 | -73.5 | 174.5 | -31.1 | 0 | 0 | 113.8 | L112 R118 | L112-Q116 PolarHBondContact O-N 2.89Å; Q116-R118 PolarHBondContact O-N 3.29Å |
| 117 | A | 38.9 | Very low | 35.9 | Very low | 78 Ų | 78 | 138.7 Ų | 138.7 | 65% | 0.645 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -75.1 | -4.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | M115 | M115-A117 VanDerWaalsContact C-N 3.3Å; M115-A117 PolarHBondContact O-N 3.45Å |
| 118 | R | 40.4 | Very low | 35.7 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 64% | 0.638 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -89.1 | -0.6 | -177.5 | -68.2 | -174.5 | 172.9 | 175.2 | -2.3 | 114.7 | M115 Q116 | M115-R118 PolarHBondContact O-N 3.01Å; Q116-R118 PolarHBondContact O-N 3.29Å |
| 119 | H | 43.1 | Very low | 35.7 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 80% | 0.796 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -97.2 | 3.6 | -179.1 | -112.1 | -80.4 | 0 | 0 | 0 | 114.7 | ||
| 120 | L | 36.8 | Very low | 35.6 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -124 | 16.3 | -170.9 | -69.3 | 176.1 | 0 | 0 | 0 | 115.6 | ||
| 121 | F | 33.7 | Very low | 35.1 | Very low | 191 Ų | 191 | 135 Ų | 135 | 84% | 0.838 | 72% | 0.717 | S | S | * | * | trans | -128.5 | 63.8 | 172.6 | -113.4 | -91.5 | 0 | 0 | 0 | 111.1 | V123 | F121-V123 HydrophobicContact CD1-CG2 4.2Å; F121-V123 HydrophobicContact CE1-CG2 4.3Å; F121-V123 PolarHBondContact O-N 3.08Å | ||
| 122 | E | 30 | Very low | 34.5 | Very low | 192 Ų | 192 | 137.1 Ų | 137.1 | 90% | 0.897 | 73% | 0.729 | S | S | * | * | trans | -87 | 83.2 | 161.8 | -166.6 | 159.8 | -162 | 0 | 0 | 107.2 | ||||
| 123 | V | 38.5 | Very low | 34.2 | Very low | 101 Ų | 101 | 137 Ų | 137 | 61% | 0.612 | 73% | 0.733 | S | S | * | * | trans | -131.4 | 122.1 | 170.5 | -176.9 | 0 | 0 | 0 | 0 | 107.9 | F121 Q125 | F121-V123 HydrophobicContact CD1-CG2 4.2Å; F121-V123 HydrophobicContact CE1-CG2 4.3Å; F121-V123 PolarHBondContact O-N 3.08Å; V123-Q125 PolarHBondContact O-N 2.92Å | ||
| 124 | Q | 32.1 | Very low | 33.8 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -29.2 | 117.6 | -174 | -77.7 | 101.4 | -27 | 0 | 0 | 116.7 | ||||
| 125 | Q | 32.9 | Very low | 33.3 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | trans | -133.6 | 119.1 | 149.8 | -69.3 | -98.9 | -60.2 | 0 | 0 | 108.1 | V123 V127 | V123-Q125 PolarHBondContact O-N 2.92Å; Q125-V127 PolarHBondContact O-N 3.34Å | ||
| 126 | P | 29.9 | Very low | 33 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -65.3 | 117.9 | 179 | 25.2 | -31.2 | 0 | 0 | 0 | 110 | L128 | P126-L128 PolarHBondContact O-N 3.1Š| ||
| 127 | V | 32.9 | Very low | 32.5 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -71.9 | 93.1 | 169.8 | -168.6 | 0 | 0 | 0 | 0 | 107 | Q125 P129 | Q125-V127 PolarHBondContact O-N 3.34Å; V127-P129 WeakPolarHBondContact O-CD 3.21Å | ||
| 128 | L | 30.3 | Very low | 32.1 | Very low | 139 Ų | 139 | 147.4 Ų | 147.4 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | trans | -76.4 | 119.8 | 170.3 | -72.3 | 177.1 | 0 | 0 | 0 | 109.2 | P126 L130 | P126-L128 PolarHBondContact O-N 3.1Å; L128-L130 PolarHBondContact O-N 2.92Å; L128-L130 VanDerWaalsContact O-N 3.17Å | ||
| 129 | P | 27 | Very low | 31.6 | Very low | 107 Ų | 107 | 148.7 Ų | 148.7 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | trans | -77.4 | 102 | 174.6 | 30.9 | -29.3 | 0 | 0 | 0 | 108.6 | V127 N131 | V127-P129 WeakPolarHBondContact O-CD 3.21Å; P129-N131 VanDerWaalsContact C-N 3.26Å; P129-N131 PolarHBondContact O-N 3.46Å | ||
| 130 | L | 29.5 | Very low | 31 | Very low | 147 Ų | 147 | 147.5 Ų | 147.5 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -91 | 64.9 | 167.9 | -70.4 | 176.8 | 0 | 0 | 0 | 110 | L128 | L128-L130 PolarHBondContact O-N 2.92Å; L128-L130 VanDerWaalsContact O-N 3.17Å | ||
| 131 | N | 27.1 | Very low | 30.9 | Very low | 140 Ų | 140 | 147.8 Ų | 147.8 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | -121.4 | 125.6 | 162.1 | -72.4 | -20 | 0 | 0 | 0 | 107 | P129 | P129-N131 VanDerWaalsContact C-N 3.26Å; P129-N131 PolarHBondContact O-N 3.46Å | ||
| 132 | N | 28.2 | Very low | 31 | Very low | 160 Ų | 160 | 148 Ų | 148 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | 75.3 | 81.5 | 174.6 | -52.7 | -20.3 | 0 | 0 | 0 | 116.6 | ||||
| 133 | V | 34 | Very low | 31.3 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -121.1 | 80.7 | 148.7 | -170.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 134 | G | 28.1 | Very low | 31.1 | Very low | 68 Ų | 68 | 147.9 Ų | 147.9 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -67.7 | 142.5 | 152.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 135 | H | 29.2 | Very low | 31.5 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | 58.7 | 105.3 | 174 | -75.2 | -28.1 | 0 | 0 | 0 | 116.8 | ||||
| 136 | L | 30.1 | Very low | 31.9 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | -171.3 | 123.3 | 125.9 | -97.2 | 161.4 | 0 | 0 | 0 | 109.9 | |||||
| 137 | G | 28.9 | Very low | 32 | Very low | 74 Ų | 74 | 140.8 Ų | 140.8 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | 68.9 | 100.1 | 138.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 138 | K | 31.4 | Very low | 32.5 | Very low | 205 Ų | 205 | 138 Ų | 138 | 89% | 0.891 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -39.6 | 140.8 | 161.1 | -62.3 | 164.5 | 179.4 | 176.1 | 0 | 113.2 | ||
| 139 | K | 29.9 | Very low | 33.2 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 85% | 0.848 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 96.5 | 89.7 | 166.1 | -56.9 | 172.2 | 178.8 | 177.9 | 0 | 115.6 | ||
| 140 | T | 31 | Very low | 34.2 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 91% | 0.908 | 71% | 0.707 | S | S | * | * | trans | 162 | 57.2 | 141 | 42.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 141 | E | 33.5 | Very low | 35.1 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | trans | -94 | 9 | -171.2 | -135.5 | -172 | 155.9 | 0 | 0 | 115.7 | K254 | E141-K254 IonicContact OE1-NZ 2.68Å; E141-K254 PolarHBondContact OE1-NZ 2.98Å | ||
| 142 | K | 37 | Very low | 36.1 | Very low | 196 Ų | 196 | 123.6 Ų | 123.6 | 85% | 0.852 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -100.9 | -8 | -171.4 | -65.7 | -174.7 | -178.5 | 179.3 | 0 | 116.4 | ||
| 143 | H | 35.8 | Very low | 37.1 | Very low | 167 Ų | 167 | 120 Ų | 120 | 77% | 0.773 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -111.1 | -0.3 | -173.5 | -96.9 | -90.3 | 0 | 0 | 0 | 115.9 | P146 | H143-P146 WeakPolarHBondContact O-CD 3.34Š|
| 144 | L | 35.1 | Very low | 37.6 | Very low | 122 Ų | 122 | 116.4 Ų | 116.4 | 64% | 0.639 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -88.5 | -23.2 | -174.1 | -148.4 | 72.9 | 0 | 0 | 0 | 114.3 | ||
| 145 | V | 39.9 | Very low | 38.4 | Very low | 91 Ų | 91 | 120.4 Ų | 120.4 | 55% | 0.552 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.9 | -40.6 | -179 | -168.7 | 0 | 0 | 0 | 0 | 113.4 | F147 D149 | V145-F147 VanDerWaalsContact C-N 3.3Å; V145-F147 PolarHBondContact O-N 2.95Å; V145-D149 PolarHBondContact O-N 3.49Å |
| 146 | P | 42.1 | Very low | 39.1 | Very low | 77 Ų | 77 | 114 Ų | 114 | 50% | 0.5 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.9 | -33.7 | 178.4 | -21.5 | 32.9 | 0 | 0 | 0 | 113.4 | H143 A150 | H143-P146 WeakPolarHBondContact O-CD 3.34Å; P146-A150 WeakPolarHBondContact O-CB 3.44Å; P146-A150 PolarHBondContact O-N 3.05Å |
| 147 | F | 30.3 | Very low | 39.3 | Very low | 141 Ų | 141 | 112.6 Ų | 112.6 | 62% | 0.618 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -72.5 | -39.1 | -176.1 | -163.7 | -97.7 | 0 | 0 | 0 | 112.4 | V145 A150 L151 | V145-F147 VanDerWaalsContact C-N 3.3Å; V145-F147 PolarHBondContact O-N 2.95Å; F147-A150 PolarHBondContact O-N 3.36Å; F147-L151 HydrophobicContact CD1-CD1 3.97Å; F147-L151 HydrophobicContact CE1-CD1 3.84Å; F147-L151 HydrophobicContact CE1-CG 4.37Å; F147-L151 WeakPolarHBondContact O-CG 3.29Å; F147-L151 PolarHBondContact O-N 2.87Å |
| 148 | Q | 43.6 | Very low | 39.5 | Very low | 82 Ų | 82 | 117.6 Ų | 117.6 | 38% | 0.383 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -75 | -34.8 | 177.4 | -76.1 | 162.3 | -7.2 | 0 | 0 | 112.3 | L151 L152 | Q148-L151 PolarHBondContact O-N 3.24Å; Q148-L152 WeakPolarHBondContact O-CD1 3.44Å; Q148-L152 PolarHBondContact O-N 3.26Å |
| 149 | D | 45.3 | Very low | 39.5 | Very low | 65 Ų | 65 | 112.7 Ų | 112.7 | 35% | 0.348 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.7 | -35 | 170.3 | -89.2 | -36.5 | 0 | 0 | 0 | 111.8 | V145 L152 N153 K241 | V145-D149 PolarHBondContact O-N 3.49Å; D149-L152 PolarHBondContact O-N 2.82Å; D149-N153 VanDerWaalsContact O-CB 3.24Å; D149-N153 WeakPolarHBondContact O-CB 3.21Å; D149-N153 PolarHBondContact O-N 2.93Å; D149-N153 PolarHBondContact O-ND2 2.75Å; D149-N153 VanDerWaalsContact O-ND2 3.16Å; D149-K241 IonicContact OD1-NZ 3.42Å |
| 150 | A | 48.7 | Very low | 39.5 | Very low | 53 Ų | 53 | 109.4 Ų | 109.4 | 44% | 0.438 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63 | -44.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P146 F147 L152 N153 S154 | P146-A150 WeakPolarHBondContact O-CB 3.44Å; P146-A150 PolarHBondContact O-N 3.05Å; F147-A150 PolarHBondContact O-N 3.36Å; A150-L152 PolarHBondContact O-N 3.07Å; A150-N153 PolarHBondContact O-N 3.45Å; A150-S154 VanDerWaalsContact O-CB 3.3Å; A150-S154 WeakPolarHBondContact O-CB 3.37Å; A150-S154 PolarHBondContact O-N 2.9Å; A150-S154 PolarHBondContact O-OG 3.39Å |
| 151 | L | 48.7 | Very low | 39.3 | Very low | 95 Ų | 95 | 105.1 Ų | 105.1 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 173.7 | -76.2 | 171.1 | 0 | 0 | 0 | 113.1 | F147 Q148 S154 R155 | F147-L151 HydrophobicContact CD1-CD1 3.97Å; F147-L151 HydrophobicContact CE1-CD1 3.84Å; F147-L151 HydrophobicContact CE1-CG 4.37Å; F147-L151 WeakPolarHBondContact O-CG 3.29Å; F147-L151 PolarHBondContact O-N 2.87Å; Q148-L151 PolarHBondContact O-N 3.24Å; L151-S154 WeakPolarHBondContact CA-OG 3.25Å; L151-S154 PolarHBondContact O-OG 3.06Å; L151-R155 WeakPolarHBondContact O-CB 3.31Å; L151-R155 PolarHBondContact O-N 3.45Å; L151-R155 VanDerWaalsContact O-N 3.1Å |
| 152 | L | 48.5 | Very low | 39 | Very low | 17 Ų | 17 | 101 Ų | 101 | 9% | 0.089 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 173.6 | -104.1 | 86.8 | 0 | 0 | 0 | 111.2 | Q148 D149 A150 I156 K241 R245 V250 | Q148-L152 WeakPolarHBondContact O-CD1 3.44Å; Q148-L152 PolarHBondContact O-N 3.26Å; D149-L152 PolarHBondContact O-N 2.82Å; A150-L152 PolarHBondContact O-N 3.07Å; L152-I156 WeakPolarHBondContact O-CB 3.47Å; L152-I156 WeakPolarHBondContact O-CD1 3.36Å; L152-I156 WeakPolarHBondContact O-CG1 3.39Å; L152-I156 PolarHBondContact O-N 2.82Å; L152-I156 VanDerWaalsContact O-N 3.09Å; L152-K241 HydrophobicContact CD2-CG 4.01Å; L152-R245 HydrophobicContact CD2-CG 4.44Å; L152-V250 HydrophobicContact CD1-CG2 4.42Å |
| 153 | N | 48.7 | Very low | 38.5 | Very low | 84 Ų | 84 | 102.4 Ų | 102.4 | 45% | 0.449 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -75.4 | -38.7 | -177.2 | -68.6 | -21.4 | 0 | 0 | 0 | 112 | D149 A150 R155 I156 E157 K241 | D149-N153 VanDerWaalsContact O-CB 3.24Å; D149-N153 WeakPolarHBondContact O-CB 3.21Å; D149-N153 PolarHBondContact O-N 2.93Å; D149-N153 PolarHBondContact O-ND2 2.75Å; D149-N153 VanDerWaalsContact O-ND2 3.16Å; A150-N153 PolarHBondContact O-N 3.45Å; N153-R155 VanDerWaalsContact C-N 3.32Å; N153-I156 CarbonylContact O-C 3.39Å; N153-I156 PolarHBondContact O-N 3.13Å; N153-I156 VanDerWaalsContact O-N 3.15Å; N153-E157 PolarHBondContact O-N 3.21Å; N153-E157 VanDerWaalsContact O-N 3.11Å; N153-K241 PolarHBondContact OD1-NZ 3.07Å |
| 154 | S | 43.9 | Very low | 38.2 | Very low | 53 Ų | 53 | 97.2 Ų | 97.2 | 37% | 0.371 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.3 | -35 | 173.9 | 65.3 | 0 | 0 | 0 | 0 | 111.4 | A150 L151 I156 E157 | A150-S154 VanDerWaalsContact O-CB 3.3Å; A150-S154 WeakPolarHBondContact O-CB 3.37Å; A150-S154 PolarHBondContact O-N 2.9Å; A150-S154 PolarHBondContact O-OG 3.39Å; L151-S154 WeakPolarHBondContact CA-OG 3.25Å; L151-S154 PolarHBondContact O-OG 3.06Å; S154-I156 VanDerWaalsContact C-N 3.29Å; S154-I156 PolarHBondContact O-N 3.24Å; S154-E157 WeakPolarHBondContact O-CB 3.41Å; S154-E157 VanDerWaalsContact O-CG 3.32Å; S154-E157 WeakPolarHBondContact O-CG 3.21Å; S154-E157 PolarHBondContact O-N 3.31Å |
| 155 | R | 45.7 | Very low | 38.2 | Very low | 153 Ų | 153 | 99.6 Ų | 99.6 | 58% | 0.577 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -12.9 | 173.7 | -159.2 | 164.7 | -164.2 | 170.8 | 3.6 | 114.1 | L151 N153 | L151-R155 WeakPolarHBondContact O-CB 3.31Å; L151-R155 PolarHBondContact O-N 3.45Å; L151-R155 VanDerWaalsContact O-N 3.1Å; N153-R155 VanDerWaalsContact C-N 3.32Å |
| 156 | I | 43.6 | Very low | 37.8 | Very low | 46 Ų | 46 | 103.8 Ų | 103.8 | 24% | 0.236 | 55% | 0.554 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -96.8 | 5.9 | 171 | -66.6 | 164.1 | 0 | 0 | 0 | 110.1 | L152 N153 S154 W158 K241 | L152-I156 WeakPolarHBondContact O-CB 3.47Å; L152-I156 WeakPolarHBondContact O-CD1 3.36Å; L152-I156 WeakPolarHBondContact O-CG1 3.39Å; L152-I156 PolarHBondContact O-N 2.82Å; L152-I156 VanDerWaalsContact O-N 3.09Å; N153-I156 CarbonylContact O-C 3.39Å; N153-I156 PolarHBondContact O-N 3.13Å; N153-I156 VanDerWaalsContact O-N 3.15Å; S154-I156 VanDerWaalsContact C-N 3.29Å; S154-I156 PolarHBondContact O-N 3.24Å; I156-W158 PolarHBondContact O-N 2.95Å; I156-W158 VanDerWaalsContact O-N 3.16Å; I156-K241 HydrophobicContact CD1-CB 3.89Å; I156-K241 HydrophobicContact CD1-CD 3.91Å; I156-K241 HydrophobicContact CD1-CG 3.72Å |
| 157 | E | 34 | Very low | 37.4 | Very low | 143 Ų | 143 | 104.8 Ų | 104.8 | 67% | 0.668 | 56% | 0.555 | S | S | * | * | trans | -54.2 | 127 | 174.7 | -82.3 | 174.9 | -160.7 | 0 | 0 | 110.3 | N153 S154 V159 | N153-E157 PolarHBondContact O-N 3.21Å; N153-E157 VanDerWaalsContact O-N 3.11Å; S154-E157 WeakPolarHBondContact O-CB 3.41Å; S154-E157 VanDerWaalsContact O-CG 3.32Å; S154-E157 WeakPolarHBondContact O-CG 3.21Å; S154-E157 PolarHBondContact O-N 3.31Å; E157-V159 PolarHBondContact O-N 3.23Å | ||
| 158 | W | 32.4 | Very low | 37.9 | Very low | 180 Ų | 180 | 103.6 Ų | 103.6 | 68% | 0.682 | 56% | 0.561 | S | S | * | * | trans | -53.1 | 128 | 179.3 | -83.3 | 66.6 | 0 | 0 | 0 | 109.2 | I156 N160 | I156-W158 PolarHBondContact O-N 2.95Å; I156-W158 VanDerWaalsContact O-N 3.16Å; W158-N160 HydrophobicContact CB-CB 4.13Å; W158-N160 HydrophobicContact CE3-CB 4.4Å; W158-N160 VanDerWaalsContact CZ3-ND2 3.29Å; W158-N160 WeakPolarHBondContact CZ3-ND2 3.35Å; W158-N160 PolarHBondContact O-N 2.93Å | ||
| 159 | V | 32.4 | Very low | 37.6 | Very low | 102 Ų | 102 | 107 Ų | 107 | 62% | 0.618 | 58% | 0.581 | S | S | * | * | trans | -71.5 | 60.1 | 154.7 | -166.6 | 0 | 0 | 0 | 0 | 107.9 | E157 G161 | E157-V159 PolarHBondContact O-N 3.23Å; V159-G161 VanDerWaalsContact C-N 3.26Å | ||
| 160 | N | 28.5 | Very low | 37.3 | Very low | 125 Ų | 125 | 106 Ų | 106 | 67% | 0.668 | 58% | 0.578 | S | S | * | * | trans | -95.7 | 66.7 | 156.1 | -81.4 | -16.2 | 0 | 0 | 0 | 105.6 | W158 | W158-N160 HydrophobicContact CB-CB 4.13Å; W158-N160 HydrophobicContact CE3-CB 4.4Å; W158-N160 VanDerWaalsContact CZ3-ND2 3.29Å; W158-N160 WeakPolarHBondContact CZ3-ND2 3.35Å; W158-N160 PolarHBondContact O-N 2.93Å | ||
| 161 | G | 27.8 | Very low | 36.5 | Very low | 59 Ų | 59 | 110.5 Ų | 110.5 | 61% | 0.608 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 162.6 | 108.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V159 Y163 | V159-G161 VanDerWaalsContact C-N 3.26Å; G161-Y163 PolarHBondContact O-N 3.13Å |
| 162 | G | 27.6 | Very low | 36.2 | Very low | 71 Ų | 71 | 114.3 Ų | 114.3 | 73% | 0.732 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 97.4 | -71.8 | 150.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 163 | Y | 25.5 | Very low | 35.6 | Very low | 224 Ų | 224 | 116 Ų | 116 | 88% | 0.878 | 63% | 0.625 | S | S | * | * | trans | -146.9 | 102 | -162 | -75.1 | -89.1 | 0 | 0 | 0 | 112.7 | G161 | G161-Y163 PolarHBondContact O-N 3.13Š| ||
| 164 | G | 31 | Very low | 35.1 | Very low | 59 Ų | 59 | 119.7 Ų | 119.7 | 61% | 0.608 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -168.7 | 114.5 | 172 | 0 | 0 | 0 | 0 | 0 | 107.8 | K166 | G164-K166 PolarHBondContact O-N 3.35Š|
| 165 | I | 34.4 | Very low | 34.8 | Very low | 172 Ų | 172 | 120.8 Ų | 120.8 | 88% | 0.882 | 65% | 0.646 | S | S | * | * | trans | -34 | 102.3 | -176.6 | -57.7 | 162.6 | 0 | 0 | 0 | 110.2 | N167 | I165-N167 PolarHBondContact O-N 3.32Š| ||
| 166 | K | 31 | Very low | 34.1 | Very low | 179 Ų | 179 | 119.7 Ų | 119.7 | 78% | 0.778 | 66% | 0.658 | S | S | * | * | trans | -57.2 | 118.1 | 165.3 | -71.4 | -179 | -179.1 | 178.4 | 0 | 104.6 | G164 P168 | G164-K166 PolarHBondContact O-N 3.35Å; K166-P168 WeakPolarHBondContact O-CD 3.45Å; K166-P168 WeakPolarHBondContact O-CG 3.41Å; K166-P168 VanDerWaalsContact O-N 3.09Å | ||
| 167 | N | 34.1 | Very low | 33.7 | Very low | 97 Ų | 97 | 123 Ų | 123 | 52% | 0.519 | 68% | 0.681 | S | S | . | * | trans | -65.7 | 111.1 | 169.1 | -158.7 | -6 | 0 | 0 | 0 | 105.9 | I165 L169 V170 | I165-N167 PolarHBondContact O-N 3.32Å; N167-L169 PolarHBondContact O-N 2.79Å; N167-V170 HydrophobicContact CB-CG2 4.47Å | ||
| 168 | P | 40.2 | Very low | 33.7 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 76% | 0.76 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -0.4 | -169.1 | -17 | 32.3 | 0 | 0 | 0 | 113.5 | K166 | K166-P168 WeakPolarHBondContact O-CD 3.45Å; K166-P168 WeakPolarHBondContact O-CG 3.41Å; K166-P168 VanDerWaalsContact O-N 3.09Å |
| 169 | L | 36.8 | Very low | 33.8 | Very low | 153 Ų | 153 | 118 Ų | 118 | 80% | 0.801 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | 12.6 | -174.1 | -60.4 | 178 | 0 | 0 | 0 | 114.2 | N167 | N167-L169 PolarHBondContact O-N 2.79Š|
| 170 | V | 39.2 | Very low | 33.7 | Very low | 45 Ų | 45 | 124.1 Ų | 124.1 | 27% | 0.273 | 70% | 0.703 | S | S | . | * | trans | -98.3 | 101 | -176.4 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | N167 Y172 I222 | N167-V170 HydrophobicContact CB-CG2 4.47Å; V170-Y172 HydrophobicContact CB-CE2 4.15Å; V170-Y172 HydrophobicContact CG1-CD1 4.26Å; V170-Y172 HydrophobicContact CG1-CD2 4.31Å; V170-Y172 HydrophobicContact CG1-CE1 4.12Å; V170-Y172 HydrophobicContact CG1-CE2 4.16Å; V170-Y172 HydrophobicContact CG1-CG 4.35Å; V170-Y172 WeakPolarHBondContact O-CD2 3.19Å; V170-Y172 WeakPolarHBondContact O-CE2 3.49Å; V170-Y172 PolarHBondContact O-N 3.22Å; V170-I222 HydrophobicContact CG2-CD1 4.45Å | ||
| 171 | N | 33.4 | Very low | 33.8 | Very low | 146 Ų | 146 | 120.9 Ų | 120.9 | 78% | 0.781 | 70% | 0.699 | S | S | * | * | trans | -74.5 | 105.4 | 162.1 | -166.8 | -16.5 | 0 | 0 | 0 | 108.3 | G173 | N171-G173 PolarHBondContact O-N 3.43Å; N171-G173 VanDerWaalsContact O-N 3.1Å; N171-G173 PolarHBondContact OD1-N 3.41Å | ||
| 172 | Y | 41.9 | Very low | 33.9 | Very low | 175 Ų | 175 | 126.9 Ų | 126.9 | 69% | 0.686 | 71% | 0.711 | S | S | * | * | trans | -70.2 | 2.9 | -176.6 | -71 | -88.7 | 0 | 0 | 0 | 114.1 | V170 N174 | V170-Y172 HydrophobicContact CB-CE2 4.15Å; V170-Y172 HydrophobicContact CG1-CD1 4.26Å; V170-Y172 HydrophobicContact CG1-CD2 4.31Å; V170-Y172 HydrophobicContact CG1-CE1 4.12Å; V170-Y172 HydrophobicContact CG1-CE2 4.16Å; V170-Y172 HydrophobicContact CG1-CG 4.35Å; V170-Y172 WeakPolarHBondContact O-CD2 3.19Å; V170-Y172 WeakPolarHBondContact O-CE2 3.49Å; V170-Y172 PolarHBondContact O-N 3.22Å; Y172-N174 PolarHBondContact O-N 3.44Å | ||
| 173 | G | 35.8 | Very low | 34.2 | Very low | 53 Ų | 53 | 130 Ų | 130 | 55% | 0.546 | 72% | 0.716 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.7 | 3.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | N171 | N171-G173 PolarHBondContact O-N 3.43Å; N171-G173 VanDerWaalsContact O-N 3.1Å; N171-G173 PolarHBondContact OD1-N 3.41Å |
| 174 | N | 37.4 | Very low | 34.6 | Very low | 161 Ų | 161 | 124.4 Ų | 124.4 | 86% | 0.861 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.3 | 18.9 | -175.6 | -83.4 | -51.7 | 0 | 0 | 0 | 115.9 | Y172 | Y172-N174 PolarHBondContact O-N 3.44Š|
| 175 | L | 38.6 | Very low | 34.7 | Very low | 77 Ų | 77 | 126.3 Ų | 126.3 | 40% | 0.403 | 72% | 0.72 | S | S | . | * | S | Bend | trans | -84 | 135.8 | 165.6 | -89.9 | 80.3 | 0 | 0 | 0 | 109 | T177 R224 | L175-T177 PolarHBondContact O-N 3.41Å; L175-R224 VanDerWaalsContact CD2-NH2 3.34Å |
| 176 | P | 30.7 | Very low | 34.8 | Very low | 129 Ų | 129 | 127 Ų | 127 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | trans | -67.2 | 84 | 158.8 | 28.5 | -29.1 | 0 | 0 | 0 | 106.7 | S178 | P176-S178 PolarHBondContact O-N 2.85Š| ||
| 177 | T | 35.5 | Very low | 35 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | -57.3 | 121.6 | 162 | 39.2 | 0 | 0 | 0 | 0 | 105.8 | L175 S179 | L175-T177 PolarHBondContact O-N 3.41Å; T177-S179 PolarHBondContact O-N 3.22Å | ||
| 178 | S | 33.8 | Very low | 35.2 | Very low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | trans | -52.1 | 80.8 | 169.7 | 168.8 | 0 | 0 | 0 | 0 | 109.9 | P176 Y180 | P176-S178 PolarHBondContact O-N 2.85Å; S178-Y180 PolarHBondContact O-N 2.68Å | ||
| 179 | S | 33.8 | Very low | 34.8 | Very low | 99 Ų | 99 | 127.4 Ų | 127.4 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | -72.1 | 118.9 | 157.5 | 56 | 0 | 0 | 0 | 0 | 105.5 | T177 G181 | T177-S179 PolarHBondContact O-N 3.22Å; S179-G181 PolarHBondContact O-N 3.41Å | ||
| 180 | Y | 30.8 | Very low | 34.9 | Very low | 231 Ų | 231 | 124.4 Ų | 124.4 | 91% | 0.906 | 74% | 0.744 | S | S | * | * | trans | -53.7 | 82.7 | 161.1 | -146.3 | -99.3 | 0 | 0 | 0 | 107.5 | S178 Q182 | S178-Y180 PolarHBondContact O-N 2.68Å; Y180-Q182 PolarHBondContact O-N 3.42Å | ||
| 181 | G | 30.2 | Very low | 34.7 | Very low | 56 Ų | 56 | 131.3 Ų | 131.3 | 58% | 0.577 | 77% | 0.773 | S | S | * | * | trans | -86.2 | 107.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | S179 T183 | S179-G181 PolarHBondContact O-N 3.41Å; G181-T183 PolarHBondContact O-N 3.23Å; G181-T183 VanDerWaalsContact O-N 3.14Å | ||
| 182 | Q | 29.7 | Very low | 35 | Very low | 185 Ų | 185 | 129.6 Ų | 129.6 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -44.4 | 114.2 | 173.5 | -63.2 | 157.2 | 5.5 | 0 | 0 | 110 | Y180 | Y180-Q182 PolarHBondContact O-N 3.42Š| ||
| 183 | T | 35.1 | Very low | 35.2 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -117.3 | 103 | 157 | 58.6 | 0 | 0 | 0 | 0 | 106.4 | G181 | G181-T183 PolarHBondContact O-N 3.23Å; G181-T183 VanDerWaalsContact O-N 3.14Å | ||
| 184 | S | 34.3 | Very low | 36 | Very low | 108 Ų | 108 | 130 Ų | 130 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -40.2 | 133 | 170.3 | -37.8 | 0 | 0 | 0 | 0 | 110.6 | E186 | S184-E186 PolarHBondContact O-N 3.35Š| ||
| 185 | A | 32.2 | Very low | 37.3 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -57.8 | 120.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 186 | E | 37.2 | Very low | 39.3 | Very low | 187 Ų | 187 | 130.6 Ų | 130.6 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -153.1 | 128 | 156.5 | -110.4 | 163.6 | -178.2 | 0 | 0 | 109.3 | S184 | S184-E186 PolarHBondContact O-N 3.35Š| ||
| 187 | Q | 34.1 | Very low | 41.5 | Very low | 197 Ų | 197 | 128.4 Ų | 128.4 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | trans | -77.1 | 128.3 | -171.2 | -62.4 | 163.6 | -11.6 | 0 | 0 | 109.7 | ||||
| 188 | S | 39.6 | Very low | 43.7 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | trans | -160.7 | 128.3 | 148.9 | 47.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 189 | G | 31.9 | Very low | 45.9 | Very low | 84 Ų | 84 | 120.3 Ų | 120.3 | 87% | 0.866 | 71% | 0.711 | S | S | * | * | trans | -69.5 | 138 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 190 | A | 38.8 | Very low | 48 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 74% | 0.744 | 72% | 0.717 | S | S | * | * | trans | -161.6 | 106.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 191 | E | 33.6 | Very low | 50.2 | Low | 190 Ų | 190 | 117.7 Ų | 117.7 | 89% | 0.888 | 70% | 0.703 | S | S | * | * | trans | 40.9 | 128.2 | 134.7 | -59 | -178.7 | 160.6 | 0 | 0 | 120.2 | E193 | E191-E193 PolarHBondContact O-N 3.48Š| ||
| 192 | A | 40.1 | Very low | 52.5 | Low | 110 Ų | 110 | 117.3 Ų | 117.3 | 91% | 0.909 | 69% | 0.691 | S | S | * | * | trans | -64.4 | 95.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 193 | E | 45.5 | Very low | 54.8 | Low | 159 Ų | 159 | 117 Ų | 117 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | trans | -107.1 | 117.3 | 156.4 | -64.3 | -143.8 | 154.7 | 0 | 0 | 110.1 | E191 H195 | E191-E193 PolarHBondContact O-N 3.48Å; E193-H195 PolarHBondContact O-CD2 3.16Å; E193-H195 PolarHBondContact O-N 2.91Å | ||
| 194 | G | 53.3 | Low | 56.9 | Low | 77 Ų | 77 | 116.5 Ų | 116.5 | 79% | 0.794 | 67% | 0.673 | S | S | * | * | trans | -67.9 | 92.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E196 | G194-E196 PolarHBondContact O-N 3.25Š| ||
| 195 | H | 65.1 | Low | 59.3 | Low | 136 Ų | 136 | 117.8 Ų | 117.8 | 63% | 0.63 | 67% | 0.665 | S | S | * | * | trans | -62.8 | 103 | 174.6 | -67.3 | -68.5 | 0 | 0 | 0 | 111.3 | E193 Y197 | E193-H195 PolarHBondContact O-CD2 3.16Å; E193-H195 PolarHBondContact O-N 2.91Å; H195-Y197 HydrophobicContact CB-CE2 4.34Å; H195-Y197 WeakPolarHBondContact O-CD2 3.48Å; H195-Y197 WeakPolarHBondContact O-CE2 3.48Å | ||
| 196 | E | 79.5 | Confident | 61.7 | Low | 114 Ų | 114 | 115 Ų | 115 | 53% | 0.533 | 64% | 0.635 | S | S | . | * | trans | -78.7 | 133.1 | 166.5 | -59.5 | -174 | 138.5 | 0 | 0 | 109.5 | G194 P198 K205 | G194-E196 PolarHBondContact O-N 3.25Å; E196-P198 WeakPolarHBondContact O-CD 3.48Å; E196-K205 HydrophobicContact CB-CB 4.49Å; E196-K205 HydrophobicContact CB-CD 4.35Å; E196-K205 WeakPolarHBondContact OE2-CD 3.31Å; E196-K205 WeakPolarHBondContact OE2-CE 3.03Å; E196-K205 IonicContact OE2-NZ 3.33Å; E196-K205 PolarHBondContact OE2-NZ 3.25Å | ||
| 197 | Y | 77.4 | Confident | 63.8 | Low | 83 Ų | 83 | 110.6 Ų | 110.6 | 33% | 0.325 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 100.1 | 178.7 | -63.5 | -84.3 | 0 | 0 | 0 | 109.9 | H195 F206 L208 Q209 | H195-Y197 HydrophobicContact CB-CE2 4.34Å; H195-Y197 WeakPolarHBondContact O-CD2 3.48Å; H195-Y197 WeakPolarHBondContact O-CE2 3.48Å; Y197-F206 PolarHBondContact N-O 3.28Å; Y197-F206 PolarHBondContact O-N 2.89Å; Y197-L208 VanDerWaalsContact CD2-C 3.43Å; Y197-Q209 HydrophobicContact CD1-CB 3.97Å; Y197-Q209 HydrophobicContact CD1-CG 4.36Å; Y197-Q209 HydrophobicContact CD2-CB 4.27Å; Y197-Q209 HydrophobicContact CE1-CB 3.76Å; Y197-Q209 HydrophobicContact CE1-CG 4.26Å; Y197-Q209 HydrophobicContact CE2-CB 4.11Å; Y197-Q209 HydrophobicContact CG-CB 4.18Å; Y197-Q209 VanDerWaalsContact CG-OE1 3.32Å |
| 198 | P | 81.8 | Confident | 66.1 | Low | 60 Ų | 60 | 104.8 Ų | 104.8 | 39% | 0.39 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.3 | 140.7 | 179.6 | 31.6 | -34.8 | 0 | 0 | 0 | 112 | E196 K204 K205 L212 | E196-P198 WeakPolarHBondContact O-CD 3.48Å; P198-K204 CarbonylContact C-O 3.5Å; P198-K204 WeakPolarHBondContact CA-O 3.38Å; P198-K205 HydrophobicContact CB-CG 4.46Å; P198-L212 WeakPolarHBondContact O-CD2 3.25Å |
| 199 | C | 80.4 | Confident | 68.1 | Low | 5 Ų | 5 | 103 Ų | 103 | 3% | 0.034 | 58% | 0.575 | C | S | . | * | trans | -77.2 | 126.6 | 168.4 | -177.9 | 0 | 0 | 0 | 0 | 111 | V201 K203 K204 L212 H215 H219 | C199-V201 PolarHBondContact O-N 3.1Å; C199-K203 WeakPolarHBondContact O-CA 3.4Å; C199-K203 PolarHBondContact O-N 3.42Å; C199-K204 PolarHBondContact N-O 2.73Å; C199-L212 VanDerWaalsContact CA-CD1 3.46Å; C199-L212 HydrophobicContact CB-CD1 3.59Å; C199-H215 PolarHBondContact SG-NE2 3.06Å; C199-H215 VanDerWaalsContact SG-NE2 3.43Å; C199-H219 VanDerWaalsContact SG-CD2 3.53Å; C199-H219 PolarHBondContact SG-NE2 3.38Å | ||
| 200 | Q | 77.2 | Confident | 70.4 | Confident | 172 Ų | 172 | 107.8 Ų | 107.8 | 80% | 0.804 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -21.6 | -179.8 | -60.5 | -63.4 | -3.6 | 0 | 0 | 113.8 | ||
| 201 | V | 78.3 | Confident | 72.4 | Confident | 104 Ų | 104 | 105.2 Ų | 105.2 | 63% | 0.63 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -46.8 | -177 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | C199 H219 | C199-V201 PolarHBondContact O-N 3.1Å; V201-H219 HydrophobicContact CG1-CB 4.47Å; V201-H219 WeakPolarHBondContact CG1-ND1 2.88Å; V201-H219 HydrophobicContact CG2-CB 4.46Å |
| 202 | C | 78.3 | Confident | 74.8 | Confident | 48 Ų | 48 | 97.3 Ų | 97.3 | 32% | 0.324 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 6.2 | -178 | 72.9 | 0 | 0 | 0 | 0 | 115.2 | K204 H215 H219 | C202-K204 PolarHBondContact O-N 3.21Å; C202-K204 VanDerWaalsContact SG-CG 3.52Å; C202-H215 PolarHBondContact SG-CE1 3.15Å; C202-H215 PolarHBondContact SG-NE2 2.7Å; C202-H219 PolarHBondContact SG-NE2 3.06Å; C202-H219 VanDerWaalsContact SG-NE2 3.43Å |
| 203 | K | 78.2 | Confident | 76.7 | Confident | 178 Ų | 178 | 95.9 Ų | 95.9 | 77% | 0.774 | 48% | 0.482 | S | S | * | . | trans | 58.5 | 14 | 177.3 | -56.9 | -179.3 | -179.1 | 179.1 | 0 | 114.8 | C199 | C199-K203 WeakPolarHBondContact O-CA 3.4Å; C199-K203 PolarHBondContact O-N 3.42Å | ||
| 204 | K | 78.9 | Confident | 78 | Confident | 125 Ų | 125 | 94.2 Ų | 94.2 | 54% | 0.543 | 47% | 0.469 | S | S | . | . | trans | -68.9 | 131.7 | 173.2 | -73.1 | -179 | -176.2 | 179.4 | 0 | 110.1 | P198 C199 C202 F206 | P198-K204 CarbonylContact C-O 3.5Å; P198-K204 WeakPolarHBondContact CA-O 3.38Å; C199-K204 PolarHBondContact N-O 2.73Å; C202-K204 PolarHBondContact O-N 3.21Å; C202-K204 VanDerWaalsContact SG-CG 3.52Å; K204-F206 HydrophobicContact CB-CE2 3.73Å; K204-F206 HydrophobicContact CB-CZ 4.02Å | ||
| 205 | K | 83.5 | Confident | 79.3 | Confident | 136 Ų | 136 | 91.7 Ų | 91.7 | 59% | 0.591 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 135 | 179.8 | -56.2 | -166.4 | -179.9 | -176.9 | 0 | 111.1 | E196 P198 | E196-K205 HydrophobicContact CB-CB 4.49Å; E196-K205 HydrophobicContact CB-CD 4.35Å; E196-K205 WeakPolarHBondContact OE2-CD 3.31Å; E196-K205 WeakPolarHBondContact OE2-CE 3.03Å; E196-K205 IonicContact OE2-NZ 3.33Å; E196-K205 PolarHBondContact OE2-NZ 3.25Å; P198-K205 HydrophobicContact CB-CG 4.46Å |
| 206 | F | 82.5 | Confident | 79.8 | Confident | 40 Ų | 40 | 87.5 Ų | 87.5 | 18% | 0.175 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 140.6 | 178.1 | -64.8 | -85 | 0 | 0 | 0 | 110.4 | Y197 K204 L208 L211 L212 H215 | Y197-F206 PolarHBondContact N-O 3.28Å; Y197-F206 PolarHBondContact O-N 2.89Å; K204-F206 HydrophobicContact CB-CE2 3.73Å; K204-F206 HydrophobicContact CB-CZ 4.02Å; F206-L208 PolarHBondContact O-N 3.17Å; F206-L211 HydrophobicContact CB-CB 4.01Å; F206-L211 HydrophobicContact CD1-CB 3.82Å; F206-L211 HydrophobicContact CG-CB 4.16Å; F206-L212 HydrophobicContact CB-CB 4.32Å; F206-L212 HydrophobicContact CD2-CB 4.13Å; F206-L212 HydrophobicContact CD2-CD1 3.95Å; F206-L212 HydrophobicContact CE2-CD1 4.29Å; F206-L212 HydrophobicContact CG-CB 4.46Å; F206-H215 HydrophobicContact CD2-CB 4.47Å; F206-H215 HydrophobicContact CE1-CB 4.06Å; F206-H215 HydrophobicContact CE2-CB 3.67Å; F206-H215 AromaticContact CE2-CD2 3.29Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.32Å; F206-H215 AromaticContact CE2-CG 3.4Å; F206-H215 AromaticContact CE2-NE2 3.97Å; F206-H215 HydrophobicContact CZ-CB 3.43Å; F206-H215 VanDerWaalsContact CZ-CB 3.43Å; F206-H215 AromaticContact CZ-CD2 3.64Å; F206-H215 AromaticContact CZ-CG 3.24Å; F206-H215 AromaticContact CZ-ND1 3.69Å |
| 207 | P | 82.7 | Confident | 79.4 | Confident | 95 Ų | 95 | 84.1 Ų | 84.1 | 62% | 0.617 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -72.6 | -9.5 | -179.9 | 29.8 | -36 | 0 | 0 | 0 | 113.3 | L211 | P207-L211 HydrophobicContact CG-CD1 4.05Š|
| 208 | L | 81.8 | Confident | 79.2 | Confident | 75 Ų | 75 | 83.5 Ų | 83.5 | 39% | 0.393 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -143.6 | 136.1 | -173.9 | -73.5 | 154.7 | 0 | 0 | 0 | 110.2 | Y197 F206 R210 L211 L212 | Y197-L208 VanDerWaalsContact CD2-C 3.43Å; F206-L208 PolarHBondContact O-N 3.17Å; L208-R210 VanDerWaalsContact C-N 3.26Å; L208-R210 HydrophobicContact CB-CG 4.04Å; L208-R210 PolarHBondContact O-N 3.46Å; L208-L211 HydrophobicContact CB-CD1 4.15Å; L208-L211 HydrophobicContact CB-CG 4.12Å; L208-L211 HydrophobicContact CD1-CD1 4.16Å; L208-L211 WeakPolarHBondContact O-CB 3.45Å; L208-L211 PolarHBondContact O-N 2.66Å; L208-L212 PolarHBondContact O-N 3.07Å |
| 209 | Q | 81.4 | Confident | 78.7 | Confident | 81 Ų | 81 | 83.8 Ų | 83.8 | 38% | 0.379 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.5 | -36.9 | 178.5 | -174.2 | 64.2 | -12.1 | 0 | 0 | 112.6 | Y197 L211 L212 N213 | Y197-Q209 HydrophobicContact CD1-CB 3.97Å; Y197-Q209 HydrophobicContact CD1-CG 4.36Å; Y197-Q209 HydrophobicContact CD2-CB 4.27Å; Y197-Q209 HydrophobicContact CE1-CB 3.76Å; Y197-Q209 HydrophobicContact CE1-CG 4.26Å; Y197-Q209 HydrophobicContact CE2-CB 4.11Å; Y197-Q209 HydrophobicContact CG-CB 4.18Å; Y197-Q209 VanDerWaalsContact CG-OE1 3.32Å; Q209-L211 PolarHBondContact O-N 3.08Å; Q209-L212 PolarHBondContact O-N 2.75Å; Q209-L212 VanDerWaalsContact O-N 3.13Å; Q209-N213 PolarHBondContact O-N 3.18Å |
| 210 | R | 81.2 | Confident | 78 | Confident | 185 Ų | 185 | 86.6 Ų | 86.6 | 70% | 0.698 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59 | -33.5 | 175.3 | 69.6 | -177.7 | -178.1 | 168.6 | -3.1 | 113.2 | L208 R214 | L208-R210 VanDerWaalsContact C-N 3.26Å; L208-R210 HydrophobicContact CB-CG 4.04Å; L208-R210 PolarHBondContact O-N 3.46Å; R210-R214 WeakPolarHBondContact O-CB 3.37Å; R210-R214 PolarHBondContact O-N 3.28Å |
| 211 | L | 80.7 | Confident | 77.2 | Confident | 37 Ų | 37 | 87.6 Ų | 87.6 | 19% | 0.194 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -77.4 | -36.8 | 178.2 | -64 | 177.3 | 0 | 0 | 0 | 110.7 | F206 P207 L208 Q209 R214 H215 | F206-L211 HydrophobicContact CB-CB 4.01Å; F206-L211 HydrophobicContact CD1-CB 3.82Å; F206-L211 HydrophobicContact CG-CB 4.16Å; P207-L211 HydrophobicContact CG-CD1 4.05Å; L208-L211 HydrophobicContact CB-CD1 4.15Å; L208-L211 HydrophobicContact CB-CG 4.12Å; L208-L211 HydrophobicContact CD1-CD1 4.16Å; L208-L211 WeakPolarHBondContact O-CB 3.45Å; L208-L211 PolarHBondContact O-N 2.66Å; Q209-L211 PolarHBondContact O-N 3.08Å; L211-R214 VanDerWaalsContact CD2-NH2 3.33Å; L211-R214 WeakPolarHBondContact O-CB 3.21Å; L211-R214 PolarHBondContact O-N 2.8Å; L211-H215 VanDerWaalsContact O-CB 3.25Å; L211-H215 WeakPolarHBondContact O-CB 3.38Å; L211-H215 PolarHBondContact O-N 2.82Å |
| 212 | L | 83 | Confident | 76.2 | Confident | 23 Ų | 23 | 86.6 Ų | 86.6 | 12% | 0.12 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 171.1 | 175.3 | 60.5 | 0 | 0 | 0 | 111.1 | P198 C199 F206 L208 Q209 R214 H215 S216 | P198-L212 WeakPolarHBondContact O-CD2 3.25Å; C199-L212 VanDerWaalsContact CA-CD1 3.46Å; C199-L212 HydrophobicContact CB-CD1 3.59Å; F206-L212 HydrophobicContact CB-CB 4.32Å; F206-L212 HydrophobicContact CD2-CB 4.13Å; F206-L212 HydrophobicContact CD2-CD1 3.95Å; F206-L212 HydrophobicContact CE2-CD1 4.29Å; F206-L212 HydrophobicContact CG-CB 4.46Å; L208-L212 PolarHBondContact O-N 3.07Å; Q209-L212 PolarHBondContact O-N 2.75Å; Q209-L212 VanDerWaalsContact O-N 3.13Å; L212-R214 PolarHBondContact O-N 3.29Å; L212-H215 CarbonylContact O-C 3.57Å; L212-H215 WeakPolarHBondContact O-CB 3.49Å; L212-H215 PolarHBondContact O-N 3.29Å; L212-H215 VanDerWaalsContact O-N 3.07Å; L212-S216 PolarHBondContact O-N 2.84Å; L212-S216 PolarHBondContact O-OG 3.17Å |
| 213 | N | 79.4 | Confident | 75.6 | Confident | 80 Ų | 80 | 90 Ų | 90 | 43% | 0.428 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.4 | -34.8 | 176.6 | -76.2 | -12.2 | 0 | 0 | 0 | 112.6 | Q209 S216 K217 | Q209-N213 PolarHBondContact O-N 3.18Å; N213-S216 WeakPolarHBondContact CA-OG 3.44Å; N213-S216 PolarHBondContact O-OG 2.96Å; N213-K217 WeakPolarHBondContact O-CG 3.37Å |
| 214 | R | 74.4 | Confident | 75 | Confident | 124 Ų | 124 | 87.1 Ų | 87.1 | 47% | 0.468 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.1 | -45.6 | 172.9 | -175.7 | 170.8 | 71.7 | 172.6 | 6 | 111.5 | R210 L211 L212 K217 D236 | R210-R214 WeakPolarHBondContact O-CB 3.37Å; R210-R214 PolarHBondContact O-N 3.28Å; L211-R214 VanDerWaalsContact CD2-NH2 3.33Å; L211-R214 WeakPolarHBondContact O-CB 3.21Å; L211-R214 PolarHBondContact O-N 2.8Å; L212-R214 PolarHBondContact O-N 3.29Å; R214-K217 WeakPolarHBondContact O-CB 3.43Å; R214-K217 PolarHBondContact O-N 3.22Å; R214-D236 WeakPolarHBondContact CD-OD2 3.4Å; R214-D236 WeakPolarHBondContact CG-OD2 3.49Å |
| 215 | H | 79 | Confident | 74.5 | Confident | 25 Ų | 25 | 83.6 Ų | 83.6 | 12% | 0.116 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.2 | -36.3 | -180 | 168.1 | 68.1 | 0 | 0 | 0 | 112.9 | C199 C202 F206 L211 L212 K217 C218 H219 | C199-H215 PolarHBondContact SG-NE2 3.06Å; C199-H215 VanDerWaalsContact SG-NE2 3.43Å; C202-H215 PolarHBondContact SG-CE1 3.15Å; C202-H215 PolarHBondContact SG-NE2 2.7Å; F206-H215 HydrophobicContact CD2-CB 4.47Å; F206-H215 HydrophobicContact CE1-CB 4.06Å; F206-H215 HydrophobicContact CE2-CB 3.67Å; F206-H215 AromaticContact CE2-CD2 3.29Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.32Å; F206-H215 AromaticContact CE2-CG 3.4Å; F206-H215 AromaticContact CE2-NE2 3.97Å; F206-H215 HydrophobicContact CZ-CB 3.43Å; F206-H215 VanDerWaalsContact CZ-CB 3.43Å; F206-H215 AromaticContact CZ-CD2 3.64Å; F206-H215 AromaticContact CZ-CG 3.24Å; F206-H215 AromaticContact CZ-ND1 3.69Å; L211-H215 VanDerWaalsContact O-CB 3.25Å; L211-H215 WeakPolarHBondContact O-CB 3.38Å; L211-H215 PolarHBondContact O-N 2.82Å; L212-H215 CarbonylContact O-C 3.57Å; L212-H215 WeakPolarHBondContact O-CB 3.49Å; L212-H215 PolarHBondContact O-N 3.29Å; L212-H215 VanDerWaalsContact O-N 3.07Å; H215-K217 PolarHBondContact O-N 3.41Å; H215-C218 WeakPolarHBondContact O-CA 3.47Å; H215-C218 WeakPolarHBondContact O-CB 3.42Å; H215-C218 PolarHBondContact O-N 3.3Å; H215-H219 AromaticContact CE1-NE2 3.61Å; H215-H219 AromaticContact NE2-CD2 3.92Å; H215-H219 AromaticContact NE2-NE2 3.2Å; H215-H219 PolarHBondContact NE2-NE2 2.88Å; H215-H219 VanDerWaalsContact NE2-NE2 3.2Å |
| 216 | S | 75.9 | Confident | 74.1 | Confident | 47 Ų | 47 | 82.6 Ų | 82.6 | 33% | 0.329 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.1 | -29.4 | 178.1 | 63.8 | 0 | 0 | 0 | 0 | 112 | L212 N213 C218 H219 | L212-S216 PolarHBondContact O-N 2.84Å; L212-S216 PolarHBondContact O-OG 3.17Å; N213-S216 WeakPolarHBondContact CA-OG 3.44Å; N213-S216 PolarHBondContact O-OG 2.96Å; S216-C218 PolarHBondContact O-N 3.37Å; S216-H219 WeakPolarHBondContact O-CB 2.95Å; S216-H219 PolarHBondContact O-N 2.98Å |
| 217 | K | 72.2 | Confident | 73.8 | Confident | 43 Ų | 43 | 80.9 Ų | 80.9 | 19% | 0.187 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24 | 170.5 | -59.3 | 174.6 | -164.9 | 172.7 | 0 | 113.2 | N213 R214 H215 H219 L220 N235 D236 | N213-K217 WeakPolarHBondContact O-CG 3.37Å; R214-K217 WeakPolarHBondContact O-CB 3.43Å; R214-K217 PolarHBondContact O-N 3.22Å; H215-K217 PolarHBondContact O-N 3.41Å; K217-H219 VanDerWaalsContact C-N 3.26Å; K217-H219 PolarHBondContact O-N 2.73Å; K217-L220 PolarHBondContact O-N 3.03Å; K217-N235 HydrophobicContact CB-CB 4.29Å; K217-N235 VanDerWaalsContact CD-O 3.26Å; K217-N235 WeakPolarHBondContact CD-O 3.27Å; K217-D236 IonicContact NZ-OD1 3.66Å; K217-D236 PolarHBondContact NZ-OD1 3.39Å |
| 218 | C | 72.1 | Confident | 73.4 | Confident | 70 Ų | 70 | 80.8 Ų | 80.8 | 47% | 0.473 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -19.8 | 175.4 | -57.4 | 0 | 0 | 0 | 0 | 113.1 | H215 S216 N235 | H215-C218 WeakPolarHBondContact O-CA 3.47Å; H215-C218 WeakPolarHBondContact O-CB 3.42Å; H215-C218 PolarHBondContact O-N 3.3Å; S216-C218 PolarHBondContact O-N 3.37Å; C218-N235 WeakPolarHBondContact CA-ND2 3.26Å; C218-N235 PolarHBondContact SG-ND2 3.47Å |
| 219 | H | 72.8 | Confident | 72.9 | Confident | 66 Ų | 66 | 81 Ų | 81 | 31% | 0.306 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -24.8 | 173.1 | -68.8 | -57.4 | 0 | 0 | 0 | 112.4 | C199 V201 C202 H215 S216 K217 E221 | C199-H219 VanDerWaalsContact SG-CD2 3.53Å; C199-H219 PolarHBondContact SG-NE2 3.38Å; V201-H219 HydrophobicContact CG1-CB 4.47Å; V201-H219 WeakPolarHBondContact CG1-ND1 2.88Å; V201-H219 HydrophobicContact CG2-CB 4.46Å; C202-H219 PolarHBondContact SG-NE2 3.06Å; C202-H219 VanDerWaalsContact SG-NE2 3.43Å; H215-H219 AromaticContact CE1-NE2 3.61Å; H215-H219 AromaticContact NE2-CD2 3.92Å; H215-H219 AromaticContact NE2-NE2 3.2Å; H215-H219 PolarHBondContact NE2-NE2 2.88Å; H215-H219 VanDerWaalsContact NE2-NE2 3.2Å; S216-H219 WeakPolarHBondContact O-CB 2.95Å; S216-H219 PolarHBondContact O-N 2.98Å; K217-H219 VanDerWaalsContact C-N 3.26Å; K217-H219 PolarHBondContact O-N 2.73Å; H219-E221 PolarHBondContact O-N 3.44Å |
| 220 | L | 65.1 | Low | 72.6 | Confident | 64 Ų | 64 | 79.4 Ų | 79.4 | 34% | 0.335 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -75.8 | 114.4 | 167.5 | -56.4 | 173.4 | 0 | 0 | 0 | 106.3 | K217 I222 | K217-L220 PolarHBondContact O-N 3.03Å; L220-I222 HydrophobicContact CB-CB 4.47Å; L220-I222 PolarHBondContact O-N 3.37Å |
| 221 | E | 60 | Low | 72.3 | Confident | 193 Ų | 193 | 72.3 Ų | 72.3 | 90% | 0.902 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -62.7 | 2.2 | 172.2 | -62.6 | -175.5 | 163.8 | 0 | 0 | 112.7 | H219 K223 | H219-E221 PolarHBondContact O-N 3.44Å; E221-K223 PolarHBondContact O-N 2.89Å |
| 222 | I | 57.3 | Low | 72 | Confident | 84 Ų | 84 | 76.7 Ų | 76.7 | 43% | 0.431 | 38% | 0.384 | S | S | . | . | trans | -89.2 | 97.4 | 177.7 | -51.1 | 172.2 | 0 | 0 | 0 | 109.2 | V170 L220 R224 | V170-I222 HydrophobicContact CG2-CD1 4.45Å; L220-I222 HydrophobicContact CB-CB 4.47Å; L220-I222 PolarHBondContact O-N 3.37Å; I222-R224 PolarHBondContact O-N 3.36Å | ||
| 223 | K | 65 | Low | 71.6 | Confident | 120 Ų | 120 | 76.1 Ų | 76.1 | 52% | 0.522 | 38% | 0.383 | S | S | . | . | trans | -76.2 | 105.3 | 170.6 | -55.4 | -164.7 | -170.6 | 172.6 | 0 | 109.8 | E221 Y225 G233 | E221-K223 PolarHBondContact O-N 2.89Å; K223-Y225 VanDerWaalsContact C-N 3.31Å; K223-Y225 PolarHBondContact O-N 3.32Å; K223-G233 WeakPolarHBondContact CD-O 3.31Å | ||
| 224 | R | 67.2 | Low | 71.4 | Confident | 117 Ų | 117 | 74.2 Ų | 74.2 | 44% | 0.442 | 37% | 0.371 | S | S | . | . | trans | -69.6 | -24.7 | -171.7 | -61.9 | -176.1 | -176.6 | -179.3 | 1.3 | 114.2 | L175 I222 F234 | L175-R224 VanDerWaalsContact CD2-NH2 3.34Å; I222-R224 PolarHBondContact O-N 3.36Å; R224-F234 PolarHBondContact N-O 3.25Å | ||
| 225 | Y | 67.6 | Low | 71.2 | Confident | 51 Ų | 51 | 69.9 Ų | 69.9 | 20% | 0.2 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 100 | -172.9 | -60.3 | -72.6 | 0 | 0 | 0 | 110.6 | K223 G233 F234 N235 T237 | K223-Y225 VanDerWaalsContact C-N 3.31Å; K223-Y225 PolarHBondContact O-N 3.32Å; Y225-G233 CarbonylContact O-C 3.41Å; Y225-G233 VanDerWaalsContact O-CA 3.31Å; Y225-G233 WeakPolarHBondContact O-CA 3.41Å; Y225-F234 WeakPolarHBondContact CB-O 3.37Å; Y225-F234 PolarHBondContact N-O 2.78Å; Y225-F234 PolarHBondContact O-N 3.47Å; Y225-N235 WeakPolarHBondContact CE2-O 3.45Å; Y225-T237 HydrophobicContact CD1-CG2 3.82Å; Y225-T237 HydrophobicContact CE1-CG2 3.24Å; Y225-T237 HydrophobicContact CE2-CG2 4.12Å; Y225-T237 HydrophobicContact CG-CG2 4.47Å; Y225-T237 VanDerWaalsContact CZ-CG2 3.41Å |
| 226 | L | 74.3 | Confident | 70.8 | Confident | 115 Ų | 115 | 69.8 Ų | 69.8 | 60% | 0.602 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 136.8 | 178.7 | -61.4 | 171.2 | 0 | 0 | 0 | 110.4 | ||
| 227 | C | 76.9 | Confident | 70.9 | Confident | 3 Ų | 3 | 70.5 Ų | 70.5 | 2% | 0.02 | 36% | 0.36 | C | S | . | . | trans | -74.3 | 124.8 | 169.2 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | F229 C230 G231 K232 F234 L240 H243 H247 | C227-F229 VanDerWaalsContact C-N 3.25Å; C227-F229 PolarHBondContact O-N 3.42Å; C227-F229 PolarHBondContact SG-N 2.68Å; C227-C230 PolarHBondContact O-N 2.72Å; C227-C230 VanDerWaalsContact SG-SG 3.69Å; C227-G231 VanDerWaalsContact O-CA 3.23Å; C227-G231 WeakPolarHBondContact O-CA 3.38Å; C227-G231 PolarHBondContact O-N 3.32Å; C227-K232 HydrophobicContact CB-CB 4.49Å; C227-K232 PolarHBondContact N-O 2.88Å; C227-F234 HydrophobicContact CB-CE2 4.27Å; C227-L240 HydrophobicContact CB-CD1 3.88Å; C227-H243 VanDerWaalsContact CB-CD2 3.49Å; C227-H243 WeakPolarHBondContact CB-CD2 3.33Å; C227-H243 PolarHBondContact SG-CD2 3.33Å; C227-H243 PolarHBondContact SG-NE2 2.76Å; C227-H247 VanDerWaalsContact SG-CD2 3.56Å; C227-H247 PolarHBondContact SG-NE2 3.37Å | ||
| 228 | T | 74.2 | Confident | 71 | Confident | 94 Ų | 94 | 75.2 Ų | 75.2 | 58% | 0.577 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -29.2 | 177.3 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 229 | F | 71.5 | Confident | 71.3 | Confident | 78 Ų | 78 | 73.9 Ų | 73.9 | 34% | 0.342 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -34 | -178.5 | -62.9 | -78.9 | 0 | 0 | 0 | 114.3 | C227 H247 T248 | C227-F229 VanDerWaalsContact C-N 3.25Å; C227-F229 PolarHBondContact O-N 3.42Å; C227-F229 PolarHBondContact SG-N 2.68Å; F229-H247 HydrophobicContact CB-CB 4.09Å; F229-H247 VanDerWaalsContact CB-CG 3.46Å; F229-H247 HydrophobicContact CD1-CB 4.19Å; F229-H247 HydrophobicContact CD2-CB 3.56Å; F229-H247 AromaticContact CD2-CD2 3.74Å; F229-H247 AromaticContact CD2-CG 3.69Å; F229-H247 HydrophobicContact CE2-CB 3.94Å; F229-H247 HydrophobicContact CG-CB 3.69Å; F229-H247 AromaticContact CG-CD2 3.96Å; F229-H247 AromaticContact CG-CG 3.63Å; F229-H247 HydrophobicContact CZ-CB 4.39Å; F229-T248 HydrophobicContact CE2-CG2 4.4Å; F229-T248 HydrophobicContact CZ-CG2 4.35Å |
| 230 | C | 74.6 | Confident | 71.6 | Confident | 48 Ų | 48 | 71.6 Ų | 71.6 | 32% | 0.324 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133 | -0.3 | -172.6 | 68.2 | 0 | 0 | 0 | 0 | 115.1 | C227 K232 H243 H247 | C227-C230 PolarHBondContact O-N 2.72Å; C227-C230 VanDerWaalsContact SG-SG 3.69Å; C230-K232 PolarHBondContact O-N 3.14Å; C230-K232 VanDerWaalsContact O-N 3.17Å; C230-K232 VanDerWaalsContact SG-CG 3.51Å; C230-H243 PolarHBondContact SG-NE2 3.29Å; C230-H247 PolarHBondContact SG-NE2 3.22Å |
| 231 | G | 74.4 | Confident | 72.2 | Confident | 37 Ų | 37 | 70.7 Ų | 70.7 | 38% | 0.381 | 35% | 0.353 | S | S | . | . | trans | 70.3 | 2.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | C227 G233 | C227-G231 VanDerWaalsContact O-CA 3.23Å; C227-G231 WeakPolarHBondContact O-CA 3.38Å; C227-G231 PolarHBondContact O-N 3.32Å; G231-G233 PolarHBondContact O-N 3.12Å | ||
| 232 | K | 75 | Confident | 73.1 | Confident | 128 Ų | 128 | 66 Ų | 66 | 56% | 0.557 | 33% | 0.327 | S | S | * | . | trans | -65 | 124.7 | 178.2 | -74 | -179.4 | -177.4 | -178.9 | 0 | 110.5 | C227 C230 F234 | C227-K232 HydrophobicContact CB-CB 4.49Å; C227-K232 PolarHBondContact N-O 2.88Å; C230-K232 PolarHBondContact O-N 3.14Å; C230-K232 VanDerWaalsContact O-N 3.17Å; C230-K232 VanDerWaalsContact SG-CG 3.51Å; K232-F234 HydrophobicContact CB-CE2 3.84Å; K232-F234 HydrophobicContact CB-CZ 4.07Å; K232-F234 WeakPolarHBondContact O-CD2 3.45Å; K232-F234 VanDerWaalsContact O-CE2 3.27Å; K232-F234 WeakPolarHBondContact O-CE2 3.33Å | ||
| 233 | G | 75.1 | Confident | 74.2 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 147.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K223 Y225 G231 | K223-G233 WeakPolarHBondContact CD-O 3.31Å; Y225-G233 CarbonylContact O-C 3.41Å; Y225-G233 VanDerWaalsContact O-CA 3.31Å; Y225-G233 WeakPolarHBondContact O-CA 3.41Å; G231-G233 PolarHBondContact O-N 3.12Å |
| 234 | F | 74.5 | Confident | 74.9 | Confident | 40 Ų | 40 | 58.1 Ų | 58.1 | 18% | 0.175 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 154.6 | 174.4 | -61.5 | -85.5 | 0 | 0 | 0 | 110.2 | R224 Y225 C227 K232 D239 L240 H243 | R224-F234 PolarHBondContact N-O 3.25Å; Y225-F234 WeakPolarHBondContact CB-O 3.37Å; Y225-F234 PolarHBondContact N-O 2.78Å; Y225-F234 PolarHBondContact O-N 3.47Å; C227-F234 HydrophobicContact CB-CE2 4.27Å; K232-F234 HydrophobicContact CB-CE2 3.84Å; K232-F234 HydrophobicContact CB-CZ 4.07Å; K232-F234 WeakPolarHBondContact O-CD2 3.45Å; K232-F234 VanDerWaalsContact O-CE2 3.27Å; K232-F234 WeakPolarHBondContact O-CE2 3.33Å; F234-D239 HydrophobicContact CB-CB 4.19Å; F234-D239 HydrophobicContact CD1-CB 3.87Å; F234-D239 HydrophobicContact CG-CB 4.32Å; F234-L240 HydrophobicContact CB-CB 4.27Å; F234-L240 HydrophobicContact CD2-CB 4.12Å; F234-L240 HydrophobicContact CD2-CD1 3.78Å; F234-L240 HydrophobicContact CE2-CD1 4.15Å; F234-L240 HydrophobicContact CG-CB 4.35Å; F234-H243 HydrophobicContact CD2-CB 4.5Å; F234-H243 HydrophobicContact CE1-CB 3.85Å; F234-H243 HydrophobicContact CE2-CB 3.7Å; F234-H243 AromaticContact CE2-CD2 3.26Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.33Å; F234-H243 AromaticContact CE2-CG 3.44Å; F234-H243 VanDerWaalsContact CE2-CG 3.44Å; F234-H243 AromaticContact CE2-NE2 3.98Å; F234-H243 HydrophobicContact CZ-CB 3.32Å; F234-H243 AromaticContact CZ-CD2 3.45Å; F234-H243 VanDerWaalsContact CZ-CD2 3.45Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.48Å; F234-H243 AromaticContact CZ-CG 3.12Å; F234-H243 AromaticContact CZ-ND1 3.62Å |
| 235 | N | 70.2 | Confident | 75.4 | Confident | 34 Ų | 34 | 54.5 Ų | 54.5 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -87.9 | -17 | -179 | -64.9 | -13.4 | 0 | 0 | 0 | 112.5 | K217 C218 Y225 | K217-N235 HydrophobicContact CB-CB 4.29Å; K217-N235 VanDerWaalsContact CD-O 3.26Å; K217-N235 WeakPolarHBondContact CD-O 3.27Å; C218-N235 WeakPolarHBondContact CA-ND2 3.26Å; C218-N235 PolarHBondContact SG-ND2 3.47Å; Y225-N235 WeakPolarHBondContact CE2-O 3.45Å |
| 236 | D | 71.8 | Confident | 76 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -136.7 | 151.6 | 177.7 | -64.1 | -55.3 | 0 | 0 | 0 | 113.5 | R214 K217 F238 D239 L240 | R214-D236 WeakPolarHBondContact CD-OD2 3.4Å; R214-D236 WeakPolarHBondContact CG-OD2 3.49Å; K217-D236 IonicContact NZ-OD1 3.66Å; K217-D236 PolarHBondContact NZ-OD1 3.39Å; D236-F238 VanDerWaalsContact C-N 3.26Å; D236-F238 PolarHBondContact O-N 3.49Å; D236-D239 PolarHBondContact O-N 3.04Å; D236-L240 PolarHBondContact O-N 3.47Å |
| 237 | T | 76.3 | Confident | 76.1 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.9 | -36.7 | 174 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | Y225 L240 K241 | Y225-T237 HydrophobicContact CD1-CG2 3.82Å; Y225-T237 HydrophobicContact CE1-CG2 3.24Å; Y225-T237 HydrophobicContact CE2-CG2 4.12Å; Y225-T237 HydrophobicContact CG-CG2 4.47Å; Y225-T237 VanDerWaalsContact CZ-CG2 3.41Å; T237-L240 PolarHBondContact O-N 3.31Å; T237-K241 WeakPolarHBondContact O-CB 3.27Å; T237-K241 PolarHBondContact O-N 2.97Å |
| 238 | F | 76 | Confident | 75.9 | Confident | 143 Ų | 143 | 57 Ų | 57 | 63% | 0.627 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.4 | -40.8 | 179.5 | -174.7 | -93.8 | 0 | 0 | 0 | 111.8 | D236 K241 R242 | D236-F238 VanDerWaalsContact C-N 3.26Å; D236-F238 PolarHBondContact O-N 3.49Å; F238-K241 PolarHBondContact O-N 3.24Å; F238-R242 WeakPolarHBondContact O-CB 3.47Å; F238-R242 PolarHBondContact O-N 3.4Å |
| 239 | D | 77.5 | Confident | 75.9 | Confident | 42 Ų | 42 | 54.9 Ų | 54.9 | 23% | 0.225 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70 | -39 | 177.5 | -70.6 | -33.3 | 0 | 0 | 0 | 111.1 | F234 D236 R242 H243 | F234-D239 HydrophobicContact CB-CB 4.19Å; F234-D239 HydrophobicContact CD1-CB 3.87Å; F234-D239 HydrophobicContact CG-CB 4.32Å; D236-D239 PolarHBondContact O-N 3.04Å; D239-R242 PolarHBondContact O-N 2.69Å; D239-R242 IonicContact OD1-CZ 2.75Å; D239-R242 VanDerWaalsContact OD1-CZ 3.29Å; D239-R242 IonicContact OD1-NH1 3.29Å; D239-R242 PolarHBondContact OD1-NH1 3.3Å; D239-R242 IonicContact OD1-NH2 3.85Å; D239-R242 PolarHBondContact OD1-NH2 3.17Å; D239-H243 VanDerWaalsContact O-CB 3.27Å; D239-H243 WeakPolarHBondContact O-CB 3.29Å; D239-H243 PolarHBondContact O-N 2.88Å |
| 240 | L | 79.5 | Confident | 76.1 | Confident | 17 Ų | 17 | 53 Ų | 53 | 9% | 0.089 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.4 | -49.5 | 170.8 | 176.2 | 63.7 | 0 | 0 | 0 | 111 | C227 F234 D236 T237 R242 H243 T244 | C227-L240 HydrophobicContact CB-CD1 3.88Å; F234-L240 HydrophobicContact CB-CB 4.27Å; F234-L240 HydrophobicContact CD2-CB 4.12Å; F234-L240 HydrophobicContact CD2-CD1 3.78Å; F234-L240 HydrophobicContact CE2-CD1 4.15Å; F234-L240 HydrophobicContact CG-CB 4.35Å; D236-L240 PolarHBondContact O-N 3.47Å; T237-L240 PolarHBondContact O-N 3.31Å; L240-R242 VanDerWaalsContact C-N 3.31Å; L240-R242 PolarHBondContact O-N 3.22Å; L240-H243 CarbonylContact O-C 3.48Å; L240-H243 WeakPolarHBondContact O-CA 3.44Å; L240-H243 WeakPolarHBondContact O-CB 3.43Å; L240-H243 PolarHBondContact O-N 3.18Å; L240-T244 HydrophobicContact CD1-CG2 4.08Å; L240-T244 HydrophobicContact CG-CG2 4.31Å; L240-T244 WeakPolarHBondContact O-CG2 3.4Å; L240-T244 PolarHBondContact O-N 3.23Å; L240-T244 PolarHBondContact O-OG1 3.07Å |
| 241 | K | 77.9 | Confident | 76.3 | Confident | 46 Ų | 46 | 56.8 Ų | 56.8 | 20% | 0.2 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62 | -37.6 | 179.4 | -171.6 | 168 | -178.3 | 169.8 | 0 | 112.1 | D149 L152 N153 I156 T237 F238 H243 T244 R245 | D149-K241 IonicContact OD1-NZ 3.42Å; L152-K241 HydrophobicContact CD2-CG 4.01Å; N153-K241 PolarHBondContact OD1-NZ 3.07Å; I156-K241 HydrophobicContact CD1-CB 3.89Å; I156-K241 HydrophobicContact CD1-CD 3.91Å; I156-K241 HydrophobicContact CD1-CG 3.72Å; T237-K241 WeakPolarHBondContact O-CB 3.27Å; T237-K241 PolarHBondContact O-N 2.97Å; F238-K241 PolarHBondContact O-N 3.24Å; K241-H243 VanDerWaalsContact C-N 3.33Å; K241-T244 WeakPolarHBondContact CA-OG1 3.4Å; K241-T244 PolarHBondContact O-OG1 2.92Å; K241-R245 WeakPolarHBondContact O-CG 3.43Å |
| 242 | R | 78.9 | Confident | 76.5 | Confident | 93 Ų | 93 | 58.2 Ų | 58.2 | 35% | 0.351 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 172.6 | -176.6 | 179.6 | 65.8 | -142.4 | -11.9 | 111.1 | F238 D239 L240 R245 Q264 | F238-R242 WeakPolarHBondContact O-CB 3.47Å; F238-R242 PolarHBondContact O-N 3.4Å; D239-R242 PolarHBondContact O-N 2.69Å; D239-R242 IonicContact OD1-CZ 2.75Å; D239-R242 VanDerWaalsContact OD1-CZ 3.29Å; D239-R242 IonicContact OD1-NH1 3.29Å; D239-R242 PolarHBondContact OD1-NH1 3.3Å; D239-R242 IonicContact OD1-NH2 3.85Å; D239-R242 PolarHBondContact OD1-NH2 3.17Å; L240-R242 VanDerWaalsContact C-N 3.31Å; L240-R242 PolarHBondContact O-N 3.22Å; R242-R245 WeakPolarHBondContact O-CB 3.25Å; R242-Q264 HydrophobicContact CG-CG 4.43Å |
| 243 | H | 80.5 | Confident | 76.7 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 12% | 0.116 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.6 | -39 | 177.3 | 173 | 67.4 | 0 | 0 | 0 | 112.5 | C227 C230 F234 D239 L240 K241 R245 T246 H247 | C227-H243 VanDerWaalsContact CB-CD2 3.49Å; C227-H243 WeakPolarHBondContact CB-CD2 3.33Å; C227-H243 PolarHBondContact SG-CD2 3.33Å; C227-H243 PolarHBondContact SG-NE2 2.76Å; C230-H243 PolarHBondContact SG-NE2 3.29Å; F234-H243 HydrophobicContact CD2-CB 4.5Å; F234-H243 HydrophobicContact CE1-CB 3.85Å; F234-H243 HydrophobicContact CE2-CB 3.7Å; F234-H243 AromaticContact CE2-CD2 3.26Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.33Å; F234-H243 AromaticContact CE2-CG 3.44Å; F234-H243 VanDerWaalsContact CE2-CG 3.44Å; F234-H243 AromaticContact CE2-NE2 3.98Å; F234-H243 HydrophobicContact CZ-CB 3.32Å; F234-H243 AromaticContact CZ-CD2 3.45Å; F234-H243 VanDerWaalsContact CZ-CD2 3.45Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.48Å; F234-H243 AromaticContact CZ-CG 3.12Å; F234-H243 AromaticContact CZ-ND1 3.62Å; D239-H243 VanDerWaalsContact O-CB 3.27Å; D239-H243 WeakPolarHBondContact O-CB 3.29Å; D239-H243 PolarHBondContact O-N 2.88Å; L240-H243 CarbonylContact O-C 3.48Å; L240-H243 WeakPolarHBondContact O-CA 3.44Å; L240-H243 WeakPolarHBondContact O-CB 3.43Å; L240-H243 PolarHBondContact O-N 3.18Å; K241-H243 VanDerWaalsContact C-N 3.33Å; H243-R245 PolarHBondContact O-N 3.47Å; H243-T246 WeakPolarHBondContact O-CB 3.17Å; H243-T246 PolarHBondContact O-N 3.41Å; H243-T246 PolarHBondContact O-OG1 3.41Å; H243-H247 AromaticContact CD2-NE2 3.98Å; H243-H247 AromaticContact CE1-NE2 3.39Å; H243-H247 PolarHBondContact CE1-NE2 3.47Å; H243-H247 AromaticContact NE2-CD2 3.67Å; H243-H247 AromaticContact NE2-NE2 3.04Å; H243-H247 PolarHBondContact NE2-NE2 3.38Å |
| 244 | T | 78.6 | Confident | 76.9 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 9% | 0.086 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.7 | -28.8 | 178.6 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | L240 K241 T246 H247 T248 | L240-T244 HydrophobicContact CD1-CG2 4.08Å; L240-T244 HydrophobicContact CG-CG2 4.31Å; L240-T244 WeakPolarHBondContact O-CG2 3.4Å; L240-T244 PolarHBondContact O-N 3.23Å; L240-T244 PolarHBondContact O-OG1 3.07Å; K241-T244 WeakPolarHBondContact CA-OG1 3.4Å; K241-T244 PolarHBondContact O-OG1 2.92Å; T244-T246 PolarHBondContact O-N 2.8Å; T244-H247 PolarHBondContact O-N 3.01Å; T244-T248 PolarHBondContact O-N 3.28Å; T244-T248 PolarHBondContact O-OG1 3Å |
| 245 | R | 79.2 | Confident | 77.1 | Confident | 42 Ų | 42 | 58.3 Ų | 58.3 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.3 | -23 | 171 | -65.5 | 174.3 | -177.4 | 173.9 | -0.9 | 113.8 | L152 K241 R242 H243 H247 G249 | L152-R245 HydrophobicContact CD2-CG 4.44Å; K241-R245 WeakPolarHBondContact O-CG 3.43Å; R242-R245 WeakPolarHBondContact O-CB 3.25Å; H243-R245 PolarHBondContact O-N 3.47Å; R245-H247 VanDerWaalsContact C-N 3.3Å; R245-G249 PolarHBondContact O-N 3.04Å |
| 246 | T | 78.8 | Confident | 77.5 | Confident | 87 Ų | 87 | 63.6 Ų | 63.6 | 53% | 0.534 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -74.7 | -23.7 | 175 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | H243 T244 | H243-T246 WeakPolarHBondContact O-CB 3.17Å; H243-T246 PolarHBondContact O-N 3.41Å; H243-T246 PolarHBondContact O-OG1 3.41Å; T244-T246 PolarHBondContact O-N 2.8Å |
| 247 | H | 76.1 | Confident | 77.8 | Confident | 75 Ų | 75 | 67.2 Ų | 67.2 | 35% | 0.347 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -89.5 | -41.5 | 176.2 | -64.2 | -69.4 | 0 | 0 | 0 | 111.8 | C227 F229 C230 H243 T244 R245 G249 | C227-H247 VanDerWaalsContact SG-CD2 3.56Å; C227-H247 PolarHBondContact SG-NE2 3.37Å; F229-H247 HydrophobicContact CB-CB 4.09Å; F229-H247 VanDerWaalsContact CB-CG 3.46Å; F229-H247 HydrophobicContact CD1-CB 4.19Å; F229-H247 HydrophobicContact CD2-CB 3.56Å; F229-H247 AromaticContact CD2-CD2 3.74Å; F229-H247 AromaticContact CD2-CG 3.69Å; F229-H247 HydrophobicContact CE2-CB 3.94Å; F229-H247 HydrophobicContact CG-CB 3.69Å; F229-H247 AromaticContact CG-CD2 3.96Å; F229-H247 AromaticContact CG-CG 3.63Å; F229-H247 HydrophobicContact CZ-CB 4.39Å; C230-H247 PolarHBondContact SG-NE2 3.22Å; H243-H247 AromaticContact CD2-NE2 3.98Å; H243-H247 AromaticContact CE1-NE2 3.39Å; H243-H247 PolarHBondContact CE1-NE2 3.47Å; H243-H247 AromaticContact NE2-CD2 3.67Å; H243-H247 AromaticContact NE2-NE2 3.04Å; H243-H247 PolarHBondContact NE2-NE2 3.38Å; T244-H247 PolarHBondContact O-N 3.01Å; R245-H247 VanDerWaalsContact C-N 3.3Å; H247-G249 VanDerWaalsContact C-N 3.27Å; H247-G249 PolarHBondContact O-N 3.09Å |
| 248 | T | 73.4 | Confident | 77.8 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 36% | 0.356 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -79.4 | -9.1 | -177.4 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | F229 T244 V250 | F229-T248 HydrophobicContact CE2-CG2 4.4Å; F229-T248 HydrophobicContact CZ-CG2 4.35Å; T244-T248 PolarHBondContact O-N 3.28Å; T244-T248 PolarHBondContact O-OG1 3Å; T248-V250 PolarHBondContact O-N 3.26Å; T248-V250 VanDerWaalsContact O-N 3.09Å; T248-V250 VanDerWaalsContact OG1-CG2 3.31Å; T248-V250 WeakPolarHBondContact OG1-CG2 3.47Å |
| 249 | G | 73.4 | Confident | 77.8 | Confident | 50 Ų | 50 | 68 Ų | 68 | 52% | 0.515 | 35% | 0.348 | S | S | . | . | trans | 65.7 | 9.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R245 H247 R251 | R245-G249 PolarHBondContact O-N 3.04Å; H247-G249 VanDerWaalsContact C-N 3.27Å; H247-G249 PolarHBondContact O-N 3.09Å; G249-R251 WeakPolarHBondContact O-CG 3.43Å; G249-R251 PolarHBondContact O-N 2.88Å | ||
| 250 | V | 75.7 | Confident | 77.8 | Confident | 38 Ų | 38 | 71.4 Ų | 71.4 | 23% | 0.23 | 36% | 0.361 | C | S | . | . | trans | -70.1 | 117.7 | -177.3 | 177 | 0 | 0 | 0 | 0 | 109.6 | L152 T248 P252 | L152-V250 HydrophobicContact CD1-CG2 4.42Å; T248-V250 PolarHBondContact O-N 3.26Å; T248-V250 VanDerWaalsContact O-N 3.09Å; T248-V250 VanDerWaalsContact OG1-CG2 3.31Å; T248-V250 WeakPolarHBondContact OG1-CG2 3.47Å; V250-P252 WeakPolarHBondContact O-CD 3.26Å | ||
| 251 | R | 79 | Confident | 77.9 | Confident | 128 Ų | 128 | 72.7 Ų | 72.7 | 48% | 0.483 | 37% | 0.371 | S | S | . | . | trans | -118.4 | 81.7 | -177.9 | -66.6 | 170.9 | 85 | 101 | 1.5 | 109.4 | G249 Y253 S261 F262 T263 | G249-R251 WeakPolarHBondContact O-CG 3.43Å; G249-R251 PolarHBondContact O-N 2.88Å; R251-Y253 PolarHBondContact O-N 3.46Å; R251-S261 VanDerWaalsContact CB-CB 3.44Å; R251-S261 VanDerWaalsContact NE-C 3.28Å; R251-S261 PolarHBondContact NE-O 3.15Å; R251-S261 PolarHBondContact NH2-O 3.09Å; R251-F262 CarbonylContact C-O 3.47Å; R251-F262 VanDerWaalsContact C-O 3.24Å; R251-F262 VanDerWaalsContact CA-O 3.25Å; R251-F262 WeakPolarHBondContact CA-O 3.36Å; R251-T263 HydrophobicContact CG-CG2 3.81Å | ||
| 252 | P | 78.8 | Confident | 78 | Confident | 68 Ų | 68 | 71.9 Ų | 71.9 | 44% | 0.442 | 37% | 0.368 | S | S | . | . | trans | -72.7 | -12.9 | -171.5 | 28.5 | -33 | 0 | 0 | 0 | 113.6 | V250 F262 | V250-P252 WeakPolarHBondContact O-CD 3.26Å; P252-F262 WeakPolarHBondContact CD-O 3.38Å | ||
| 253 | Y | 79.9 | Confident | 78 | Confident | 72 Ų | 72 | 69.1 Ų | 69.1 | 28% | 0.282 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 93.8 | -175.1 | -59.1 | -72.5 | 0 | 0 | 0 | 110.5 | R251 S261 F262 R265 | R251-Y253 PolarHBondContact O-N 3.46Å; Y253-S261 CarbonylContact O-C 3.34Å; Y253-S261 WeakPolarHBondContact O-CA 3.23Å; Y253-F262 PolarHBondContact N-O 3.01Å; Y253-F262 VanDerWaalsContact N-O 3.15Å; Y253-F262 PolarHBondContact O-N 3.41Å; Y253-R265 HydrophobicContact CD1-CB 4.17Å; Y253-R265 HydrophobicContact CE1-CB 3.85Å; Y253-R265 HydrophobicContact CE1-CG 4.32Å; Y253-R265 HydrophobicContact CE2-CB 4.27Å |
| 254 | K | 78.1 | Confident | 78 | Confident | 106 Ų | 106 | 71.1 Ų | 71.1 | 46% | 0.461 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 142.3 | 175.3 | 58.8 | -179.6 | 178.4 | 179.2 | 0 | 112.2 | E141 | E141-K254 IonicContact OE1-NZ 2.68Å; E141-K254 PolarHBondContact OE1-NZ 2.98Å |
| 255 | C | 80.6 | Confident | 78.1 | Confident | 3 Ų | 3 | 76.1 Ų | 76.1 | 2% | 0.02 | 39% | 0.388 | C | S | . | . | trans | -84 | 120.5 | 168.9 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | L257 E259 K260 F262 L268 H271 L272 H276 | C255-L257 PolarHBondContact O-N 2.79Å; C255-L257 VanDerWaalsContact O-N 3.17Å; C255-E259 WeakPolarHBondContact O-CA 3.45Å; C255-E259 PolarHBondContact O-N 2.79Å; C255-K260 HydrophobicContact CB-CB 4.48Å; C255-K260 WeakPolarHBondContact CB-O 3.41Å; C255-K260 PolarHBondContact N-O 2.83Å; C255-F262 HydrophobicContact CB-CE2 4.39Å; C255-L268 HydrophobicContact CB-CD1 3.75Å; C255-H271 VanDerWaalsContact SG-CD2 3.58Å; C255-H271 PolarHBondContact SG-NE2 3.01Å; C255-L272 VanDerWaalsContact SG-CD2 3.57Å; C255-H276 VanDerWaalsContact SG-CD2 3.56Å; C255-H276 PolarHBondContact SG-NE2 2.95Å; C255-H276 VanDerWaalsContact SG-NE2 3.44Å | ||
| 256 | D | 78.3 | Confident | 78.1 | Confident | 144 Ų | 144 | 77.2 Ų | 77.2 | 77% | 0.77 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -12.1 | -179.5 | -58.3 | -35.5 | 0 | 0 | 0 | 113 | ||
| 257 | L | 77 | Confident | 78.3 | Confident | 99 Ų | 99 | 75.2 Ų | 75.2 | 52% | 0.518 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -23.2 | -174.5 | -61.5 | 174.4 | 0 | 0 | 0 | 114.5 | C255 L272 H276 V278 | C255-L257 PolarHBondContact O-N 2.79Å; C255-L257 VanDerWaalsContact O-N 3.17Å; L257-L272 HydrophobicContact CD1-CD2 4.31Å; L257-H276 WeakPolarHBondContact CB-CE1 3.43Å; L257-H276 WeakPolarHBondContact CB-ND1 3.44Å; L257-H276 HydrophobicContact CD1-CB 3.47Å; L257-H276 VanDerWaalsContact CD1-CB 3.47Å; L257-H276 VanDerWaalsContact CD1-CG 3.44Å; L257-V278 HydrophobicContact CD1-CB 4.36Å; L257-V278 HydrophobicContact CD1-CG2 3.67Å |
| 258 | C | 77.2 | Confident | 78.8 | Confident | 42 Ų | 42 | 72.8 Ų | 72.8 | 28% | 0.284 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.8 | 19 | 177.2 | 69.2 | 0 | 0 | 0 | 0 | 114.6 | K260 H271 H276 | C258-K260 PolarHBondContact O-N 3.24Å; C258-H271 PolarHBondContact SG-CE1 3.27Å; C258-H271 PolarHBondContact SG-NE2 3.16Å; C258-H276 PolarHBondContact SG-NE2 3.11Å |
| 259 | E | 75.5 | Confident | 79.2 | Confident | 178 Ų | 178 | 72.9 Ų | 72.9 | 83% | 0.832 | 38% | 0.376 | S | S | * | . | trans | 56.5 | 7.7 | 176.2 | -58.6 | -176.7 | 173.1 | 0 | 0 | 115 | C255 S261 | C255-E259 WeakPolarHBondContact O-CA 3.45Å; C255-E259 PolarHBondContact O-N 2.79Å; E259-S261 PolarHBondContact O-N 3.16Å | ||
| 260 | K | 78.2 | Confident | 79.6 | Confident | 115 Ų | 115 | 73.4 Ų | 73.4 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | trans | -72.9 | 118.7 | 176.4 | -71.9 | -179.6 | -174.4 | 175.4 | 0 | 109.9 | C255 C258 F262 | C255-K260 HydrophobicContact CB-CB 4.48Å; C255-K260 WeakPolarHBondContact CB-O 3.41Å; C255-K260 PolarHBondContact N-O 2.83Å; C258-K260 PolarHBondContact O-N 3.24Å; K260-F262 HydrophobicContact CB-CE2 3.87Å; K260-F262 HydrophobicContact CB-CZ 4.01Å; K260-F262 WeakPolarHBondContact O-CD2 3.03Å; K260-F262 VanDerWaalsContact O-CE2 3.29Å; K260-F262 WeakPolarHBondContact O-CE2 3.48Å | ||
| 261 | S | 80.9 | Confident | 80 | Confident | 44 Ų | 44 | 72.3 Ų | 72.3 | 31% | 0.308 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 154.6 | 172.8 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | R251 Y253 E259 | R251-S261 VanDerWaalsContact CB-CB 3.44Å; R251-S261 VanDerWaalsContact NE-C 3.28Å; R251-S261 PolarHBondContact NE-O 3.15Å; R251-S261 PolarHBondContact NH2-O 3.09Å; Y253-S261 CarbonylContact O-C 3.34Å; Y253-S261 WeakPolarHBondContact O-CA 3.23Å; E259-S261 PolarHBondContact O-N 3.16Å |
| 262 | F | 80.1 | Confident | 80.2 | Confident | 29 Ų | 29 | 67 Ų | 67 | 13% | 0.127 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 152.2 | 177.9 | -63.3 | -87 | 0 | 0 | 0 | 111.4 | R251 P252 Y253 C255 K260 L268 H271 | R251-F262 CarbonylContact C-O 3.47Å; R251-F262 VanDerWaalsContact C-O 3.24Å; R251-F262 VanDerWaalsContact CA-O 3.25Å; R251-F262 WeakPolarHBondContact CA-O 3.36Å; P252-F262 WeakPolarHBondContact CD-O 3.38Å; Y253-F262 PolarHBondContact N-O 3.01Å; Y253-F262 VanDerWaalsContact N-O 3.15Å; Y253-F262 PolarHBondContact O-N 3.41Å; C255-F262 HydrophobicContact CB-CE2 4.39Å; K260-F262 HydrophobicContact CB-CE2 3.87Å; K260-F262 HydrophobicContact CB-CZ 4.01Å; K260-F262 WeakPolarHBondContact O-CD2 3.03Å; K260-F262 VanDerWaalsContact O-CE2 3.29Å; K260-F262 WeakPolarHBondContact O-CE2 3.48Å; F262-L268 HydrophobicContact CB-CB 4.35Å; F262-L268 HydrophobicContact CD2-CB 3.96Å; F262-L268 HydrophobicContact CD2-CD1 3.65Å; F262-L268 HydrophobicContact CD2-CG 4.44Å; F262-L268 HydrophobicContact CE2-CD1 3.92Å; F262-L268 HydrophobicContact CG-CB 4.34Å; F262-H271 HydrophobicContact CE1-CB 3.95Å; F262-H271 HydrophobicContact CE2-CB 3.75Å; F262-H271 AromaticContact CE2-CD2 3.38Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.33Å; F262-H271 AromaticContact CE2-CG 3.47Å; F262-H271 VanDerWaalsContact CE2-CG 3.47Å; F262-H271 HydrophobicContact CZ-CB 3.37Å; F262-H271 AromaticContact CZ-CD2 3.6Å; F262-H271 AromaticContact CZ-CG 3.17Å; F262-H271 AromaticContact CZ-ND1 3.57Å |
| 263 | T | 78.5 | Confident | 80.5 | Confident | 34 Ų | 34 | 68.7 Ų | 68.7 | 21% | 0.209 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -79.5 | -22.5 | 179.5 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | R251 | R251-T263 HydrophobicContact CG-CG2 3.81Š|
| 264 | Q | 80.6 | Confident | 80.6 | Confident | 67 Ų | 67 | 73.7 Ų | 73.7 | 31% | 0.313 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -134 | 146.2 | -176.6 | -56.6 | -177 | 22.1 | 0 | 0 | 111.3 | R242 C266 S267 L268 | R242-Q264 HydrophobicContact CG-CG 4.43Å; Q264-C266 PolarHBondContact O-N 3.09Å; Q264-C266 PolarHBondContact OE1-SG 3.47Å; Q264-C266 VanDerWaalsContact OE1-SG 3.41Å; Q264-S267 WeakPolarHBondContact O-CB 3.48Å; Q264-S267 PolarHBondContact O-N 3.47Å; Q264-L268 PolarHBondContact O-N 3.27Å |
| 265 | R | 80.7 | Confident | 80.9 | Confident | 120 Ų | 120 | 72.7 Ų | 72.7 | 45% | 0.453 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 179.1 | -173.8 | 175.4 | 179.5 | 148.9 | -0.6 | 112.7 | Y253 S267 L268 E269 | Y253-R265 HydrophobicContact CD1-CB 4.17Å; Y253-R265 HydrophobicContact CE1-CB 3.85Å; Y253-R265 HydrophobicContact CE1-CG 4.32Å; Y253-R265 HydrophobicContact CE2-CB 4.27Å; R265-S267 VanDerWaalsContact C-N 3.25Å; R265-S267 PolarHBondContact O-N 3.2Å; R265-L268 WeakPolarHBondContact O-CB 3.45Å; R265-L268 PolarHBondContact O-N 3.06Å; R265-L268 VanDerWaalsContact O-N 3.16Å; R265-E269 PolarHBondContact O-N 2.91Å |
| 266 | C | 80.3 | Confident | 80.8 | Confident | 65 Ų | 65 | 75.2 Ų | 75.2 | 44% | 0.439 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -31.5 | 177.5 | 54.7 | 0 | 0 | 0 | 0 | 112.7 | Q264 S270 | Q264-C266 PolarHBondContact O-N 3.09Å; Q264-C266 PolarHBondContact OE1-SG 3.47Å; Q264-C266 VanDerWaalsContact OE1-SG 3.41Å; C266-S270 VanDerWaalsContact O-CB 3.31Å; C266-S270 WeakPolarHBondContact O-CB 3.29Å; C266-S270 PolarHBondContact O-N 3.34Å; C266-S270 PolarHBondContact O-OG 3.01Å |
| 267 | S | 83 | Confident | 80.7 | Confident | 44 Ų | 44 | 71.2 Ų | 71.2 | 31% | 0.308 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.9 | -40.3 | 174.2 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | Q264 R265 H271 | Q264-S267 WeakPolarHBondContact O-CB 3.48Å; Q264-S267 PolarHBondContact O-N 3.47Å; R265-S267 VanDerWaalsContact C-N 3.25Å; R265-S267 PolarHBondContact O-N 3.2Å; S267-H271 WeakPolarHBondContact O-CB 3.13Å; S267-H271 PolarHBondContact O-N 3.14Å |
| 268 | L | 84.8 | Confident | 80.2 | Confident | 25 Ų | 25 | 69.6 Ų | 69.6 | 13% | 0.131 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63 | -46.2 | 172.7 | 176.1 | 68.3 | 0 | 0 | 0 | 111.2 | C255 F262 Q264 R265 H271 L272 | C255-L268 HydrophobicContact CB-CD1 3.75Å; F262-L268 HydrophobicContact CB-CB 4.35Å; F262-L268 HydrophobicContact CD2-CB 3.96Å; F262-L268 HydrophobicContact CD2-CD1 3.65Å; F262-L268 HydrophobicContact CD2-CG 4.44Å; F262-L268 HydrophobicContact CE2-CD1 3.92Å; F262-L268 HydrophobicContact CG-CB 4.34Å; Q264-L268 PolarHBondContact O-N 3.27Å; R265-L268 WeakPolarHBondContact O-CB 3.45Å; R265-L268 PolarHBondContact O-N 3.06Å; R265-L268 VanDerWaalsContact O-N 3.16Å; L268-H271 CarbonylContact O-C 3.24Å; L268-H271 WeakPolarHBondContact O-CA 3.03Å; L268-H271 WeakPolarHBondContact O-CB 3.33Å; L268-H271 PolarHBondContact O-N 3.05Å; L268-H271 VanDerWaalsContact O-N 3.13Å; L268-L272 HydrophobicContact CD1-CD1 4.39Å; L268-L272 HydrophobicContact CD1-CG 4.27Å; L268-L272 HydrophobicContact CG-CD1 4.07Å; L268-L272 HydrophobicContact CG-CG 4.37Å; L268-L272 WeakPolarHBondContact O-CG 3.36Å; L268-L272 PolarHBondContact O-N 3.25Å |
| 269 | E | 82.3 | Confident | 79.5 | Confident | 59 Ų | 59 | 72.6 Ų | 72.6 | 28% | 0.276 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 178.8 | -173.3 | 176.7 | -178.6 | 0 | 0 | 111.8 | R265 H271 L272 K273 | R265-E269 PolarHBondContact O-N 2.91Å; E269-H271 PolarHBondContact O-N 2.81Å; E269-L272 PolarHBondContact O-N 3.28Å; E269-K273 WeakPolarHBondContact O-CB 3.22Å; E269-K273 PolarHBondContact O-N 3.03Å |
| 270 | S | 82.8 | Confident | 78.7 | Confident | 61 Ų | 61 | 68 Ų | 68 | 43% | 0.427 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.6 | -36 | 173.7 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | C266 K274 | C266-S270 VanDerWaalsContact O-CB 3.31Å; C266-S270 WeakPolarHBondContact O-CB 3.29Å; C266-S270 PolarHBondContact O-N 3.34Å; C266-S270 PolarHBondContact O-OG 3.01Å; S270-K274 VanDerWaalsContact O-CB 3.25Å; S270-K274 WeakPolarHBondContact O-CB 3.36Å; S270-K274 WeakPolarHBondContact O-CG 3.31Å; S270-K274 PolarHBondContact O-N 3.05Å |
| 271 | H | 83.8 | Confident | 77.5 | Confident | 16 Ų | 16 | 72.4 Ų | 72.4 | 7% | 0.074 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.7 | -46.4 | 176.4 | 164.3 | 73 | 0 | 0 | 0 | 112 | C255 C258 F262 S267 L268 E269 K273 K274 V275 H276 | C255-H271 VanDerWaalsContact SG-CD2 3.58Å; C255-H271 PolarHBondContact SG-NE2 3.01Å; C258-H271 PolarHBondContact SG-CE1 3.27Å; C258-H271 PolarHBondContact SG-NE2 3.16Å; F262-H271 HydrophobicContact CE1-CB 3.95Å; F262-H271 HydrophobicContact CE2-CB 3.75Å; F262-H271 AromaticContact CE2-CD2 3.38Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.33Å; F262-H271 AromaticContact CE2-CG 3.47Å; F262-H271 VanDerWaalsContact CE2-CG 3.47Å; F262-H271 HydrophobicContact CZ-CB 3.37Å; F262-H271 AromaticContact CZ-CD2 3.6Å; F262-H271 AromaticContact CZ-CG 3.17Å; F262-H271 AromaticContact CZ-ND1 3.57Å; S267-H271 WeakPolarHBondContact O-CB 3.13Å; S267-H271 PolarHBondContact O-N 3.14Å; L268-H271 CarbonylContact O-C 3.24Å; L268-H271 WeakPolarHBondContact O-CA 3.03Å; L268-H271 WeakPolarHBondContact O-CB 3.33Å; L268-H271 PolarHBondContact O-N 3.05Å; L268-H271 VanDerWaalsContact O-N 3.13Å; E269-H271 PolarHBondContact O-N 2.81Å; H271-K273 VanDerWaalsContact C-N 3.3Å; H271-K273 PolarHBondContact O-N 3.42Å; H271-K274 PolarHBondContact O-N 3.38Å; H271-V275 WeakPolarHBondContact ND1-CG2 3.27Å; H271-V275 VanDerWaalsContact O-CB 3.31Å; H271-V275 WeakPolarHBondContact O-CB 3.42Å; H271-V275 PolarHBondContact O-N 2.92Å; H271-H276 AromaticContact CE1-NE2 3.85Å; H271-H276 AromaticContact NE2-CD2 3.58Å; H271-H276 AromaticContact NE2-NE2 3.43Å; H271-H276 PolarHBondContact NE2-NE2 3.17Å |
| 272 | L | 83.1 | Confident | 76.1 | Confident | 17 Ų | 17 | 78.1 Ų | 78.1 | 9% | 0.089 | 39% | 0.393 | C | S | . | . | I | π-helix | trans | -58.6 | -43.8 | 176.2 | -72.5 | 170.4 | 0 | 0 | 0 | 110.9 | C255 L257 L268 E269 H276 G277 V278 H280 | C255-L272 VanDerWaalsContact SG-CD2 3.57Å; L257-L272 HydrophobicContact CD1-CD2 4.31Å; L268-L272 HydrophobicContact CD1-CD1 4.39Å; L268-L272 HydrophobicContact CD1-CG 4.27Å; L268-L272 HydrophobicContact CG-CD1 4.07Å; L268-L272 HydrophobicContact CG-CG 4.37Å; L268-L272 WeakPolarHBondContact O-CG 3.36Å; L268-L272 PolarHBondContact O-N 3.25Å; E269-L272 PolarHBondContact O-N 3.28Å; L272-H276 CarbonylContact O-C 3.57Å; L272-H276 WeakPolarHBondContact O-CA 3.24Å; L272-H276 WeakPolarHBondContact O-CB 3.39Å; L272-H276 PolarHBondContact O-N 3.1Å; L272-G277 PolarHBondContact O-N 3.2Å; L272-V278 CarbonylContact C-O 3.53Å; L272-V278 WeakPolarHBondContact CB-O 3.41Å; L272-V278 PolarHBondContact O-N 3.24Å; L272-V278 VanDerWaalsContact O-N 3.08Å; L272-H280 HydrophobicContact CD1-CB 4.25Å |
| 273 | K | 84.2 | Confident | 74.2 | Confident | 102 Ų | 102 | 79.1 Ų | 79.1 | 44% | 0.443 | 41% | 0.407 | S | S | . | . | I | π-helix | trans | -64.5 | -46.1 | 176.2 | -173.6 | 171.2 | -176.1 | 127.3 | 0 | 112.8 | E269 H271 G277 E279 | E269-K273 WeakPolarHBondContact O-CB 3.22Å; E269-K273 PolarHBondContact O-N 3.03Å; H271-K273 VanDerWaalsContact C-N 3.3Å; H271-K273 PolarHBondContact O-N 3.42Å; K273-G277 PolarHBondContact O-N 3.49Å; K273-E279 WeakPolarHBondContact CD-OE1 3.17Å; K273-E279 WeakPolarHBondContact CE-OE1 3.32Å; K273-E279 IonicContact NZ-OE1 3.85Å; K273-E279 PolarHBondContact NZ-OE1 3.41Å; K273-E279 IonicContact NZ-OE2 2.77Å |
| 274 | K | 83.3 | Confident | 72.5 | Confident | 178 Ų | 178 | 86.2 Ų | 86.2 | 77% | 0.774 | 43% | 0.431 | S | S | * | . | I | π-helix | trans | -79 | -35.7 | -174.6 | -73.4 | -180 | 179.2 | -173.5 | 0 | 114.4 | S270 H271 | S270-K274 VanDerWaalsContact O-CB 3.25Å; S270-K274 WeakPolarHBondContact O-CB 3.36Å; S270-K274 WeakPolarHBondContact O-CG 3.31Å; S270-K274 PolarHBondContact O-N 3.05Å; H271-K274 PolarHBondContact O-N 3.38Å |
| 275 | V | 82.8 | Confident | 70.7 | Confident | 84 Ų | 84 | 92.2 Ų | 92.2 | 51% | 0.509 | 46% | 0.456 | S | S | . | . | I | π-helix | trans | -101.9 | -37.5 | -171.6 | -179 | 0 | 0 | 0 | 0 | 111.4 | H271 | H271-V275 WeakPolarHBondContact ND1-CG2 3.27Å; H271-V275 VanDerWaalsContact O-CB 3.31Å; H271-V275 WeakPolarHBondContact O-CB 3.42Å; H271-V275 PolarHBondContact O-N 2.92Å |
| 276 | H | 78.6 | Confident | 68.9 | Low | 57 Ų | 57 | 92.6 Ų | 92.6 | 26% | 0.264 | 46% | 0.463 | S | S | . | . | I | π-helix | trans | -109.9 | -9.1 | -174.5 | -63.2 | -67.3 | 0 | 0 | 0 | 113.9 | C255 L257 C258 H271 L272 V278 | C255-H276 VanDerWaalsContact SG-CD2 3.56Å; C255-H276 PolarHBondContact SG-NE2 2.95Å; C255-H276 VanDerWaalsContact SG-NE2 3.44Å; L257-H276 WeakPolarHBondContact CB-CE1 3.43Å; L257-H276 WeakPolarHBondContact CB-ND1 3.44Å; L257-H276 HydrophobicContact CD1-CB 3.47Å; L257-H276 VanDerWaalsContact CD1-CB 3.47Å; L257-H276 VanDerWaalsContact CD1-CG 3.44Å; C258-H276 PolarHBondContact SG-NE2 3.11Å; H271-H276 AromaticContact CE1-NE2 3.85Å; H271-H276 AromaticContact NE2-CD2 3.58Å; H271-H276 AromaticContact NE2-NE2 3.43Å; H271-H276 PolarHBondContact NE2-NE2 3.17Å; L272-H276 CarbonylContact O-C 3.57Å; L272-H276 WeakPolarHBondContact O-CA 3.24Å; L272-H276 WeakPolarHBondContact O-CB 3.39Å; L272-H276 PolarHBondContact O-N 3.1Å; H276-V278 HydrophobicContact CB-CB 4.31Å; H276-V278 HydrophobicContact CB-CG2 3.98Å; H276-V278 PolarHBondContact O-N 3.45Å; H276-V278 VanDerWaalsContact O-N 3.1Å |
| 277 | G | 75.9 | Confident | 67.3 | Low | 60 Ų | 60 | 99 Ų | 99 | 62% | 0.619 | 48% | 0.478 | S | S | * | . | trans | 60.8 | 15 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L272 K273 | L272-G277 PolarHBondContact O-N 3.2Å; K273-G277 PolarHBondContact O-N 3.49Å | ||
| 278 | V | 66.9 | Low | 65.4 | Low | 64 Ų | 64 | 104.8 Ų | 104.8 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | trans | -91.9 | 113.2 | -177.5 | 176.8 | 0 | 0 | 0 | 0 | 109.2 | L257 L272 H276 H280 | L257-V278 HydrophobicContact CD1-CB 4.36Å; L257-V278 HydrophobicContact CD1-CG2 3.67Å; L272-V278 CarbonylContact C-O 3.53Å; L272-V278 WeakPolarHBondContact CB-O 3.41Å; L272-V278 PolarHBondContact O-N 3.24Å; L272-V278 VanDerWaalsContact O-N 3.08Å; H276-V278 HydrophobicContact CB-CB 4.31Å; H276-V278 HydrophobicContact CB-CG2 3.98Å; H276-V278 PolarHBondContact O-N 3.45Å; H276-V278 VanDerWaalsContact O-N 3.1Å; V278-H280 PolarHBondContact O-N 3.19Å | ||
| 279 | E | 63.6 | Low | 64.1 | Low | 105 Ų | 105 | 107.5 Ų | 107.5 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | trans | -79.9 | 111.1 | 168.2 | -66.5 | -77.3 | 153.9 | 0 | 0 | 108.1 | K273 | K273-E279 WeakPolarHBondContact CD-OE1 3.17Å; K273-E279 WeakPolarHBondContact CE-OE1 3.32Å; K273-E279 IonicContact NZ-OE1 3.85Å; K273-E279 PolarHBondContact NZ-OE1 3.41Å; K273-E279 IonicContact NZ-OE2 2.77Å | ||
| 280 | H | 57.3 | Low | 63.4 | Low | 82 Ų | 82 | 109.6 Ų | 109.6 | 38% | 0.38 | 52% | 0.522 | S | S | . | . | trans | -72.4 | 130.8 | 175.2 | -174.5 | -102.4 | 0 | 0 | 0 | 109.5 | L272 V278 Y282 A283 | L272-H280 HydrophobicContact CD1-CB 4.25Å; V278-H280 PolarHBondContact O-N 3.19Å; H280-Y282 AromaticContact CE1-CD2 3.38Å; H280-Y282 WeakPolarHBondContact CE1-CD2 3.21Å; H280-Y282 AromaticContact ND1-CD2 3.79Å; H280-Y282 CarbonylContact O-C 3.36Å; H280-Y282 PolarHBondContact O-N 2.76Å; H280-A283 PolarHBondContact O-N 2.87Å; H280-A283 VanDerWaalsContact O-N 3.07Å | ||
| 281 | K | 54 | Low | 63.2 | Low | 207 Ų | 207 | 109.6 Ų | 109.6 | 90% | 0.9 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -55.6 | -13.2 | -171.3 | -67.7 | -177.5 | 178.3 | 179.4 | 0 | 115.9 | A283 | K281-A283 VanDerWaalsContact C-N 3.31Å; K281-A283 PolarHBondContact O-N 3.34Å |
| 282 | Y | 50.6 | Low | 62.9 | Low | 165 Ų | 165 | 110.6 Ų | 110.6 | 65% | 0.647 | 52% | 0.52 | S | S | * | . | trans | -96.5 | 51.1 | 170 | -62.1 | -90 | 0 | 0 | 0 | 111.2 | H280 Y284 | H280-Y282 AromaticContact CE1-CD2 3.38Å; H280-Y282 WeakPolarHBondContact CE1-CD2 3.21Å; H280-Y282 AromaticContact ND1-CD2 3.79Å; H280-Y282 CarbonylContact O-C 3.36Å; H280-Y282 PolarHBondContact O-N 2.76Å; Y282-Y284 PolarHBondContact O-N 3.07Å | ||
| 283 | A | 41.4 | Very low | 62.8 | Low | 50 Ų | 50 | 112.6 Ų | 112.6 | 41% | 0.413 | 53% | 0.533 | S | S | . | . | trans | -62.3 | 108.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | H280 K281 K285 | H280-A283 PolarHBondContact O-N 2.87Å; H280-A283 VanDerWaalsContact O-N 3.07Å; K281-A283 VanDerWaalsContact C-N 3.31Å; K281-A283 PolarHBondContact O-N 3.34Å; A283-K285 PolarHBondContact O-N 3.45Å | ||
| 284 | Y | 43.4 | Very low | 62.7 | Low | 183 Ų | 183 | 108 Ų | 108 | 72% | 0.718 | 51% | 0.513 | S | S | * | . | trans | -53.4 | 111.1 | 161.9 | 171.6 | -94.4 | 0 | 0 | 0 | 105.5 | Y282 E286 | Y282-Y284 PolarHBondContact O-N 3.07Å; Y284-E286 PolarHBondContact O-N 3.24Å | ||
| 285 | K | 42.5 | Very low | 62.4 | Low | 192 Ų | 192 | 106.4 Ų | 106.4 | 84% | 0.835 | 51% | 0.509 | S | S | * | . | trans | -30.7 | 104.4 | -172.5 | -75.2 | 178.2 | -179.7 | 176 | 0 | 108.7 | A283 R287 | A283-K285 PolarHBondContact O-N 3.45Å; K285-R287 PolarHBondContact O-N 3.43Å | ||
| 286 | E | 42.7 | Very low | 62.2 | Low | 129 Ų | 129 | 106.3 Ų | 106.3 | 60% | 0.603 | 51% | 0.505 | S | S | * | . | trans | -43.2 | 116.8 | 179.1 | -173.2 | 169.7 | -146.2 | 0 | 0 | 105.9 | Y284 R288 | Y284-E286 PolarHBondContact O-N 3.24Å; E286-R288 PolarHBondContact O-N 3.49Å | ||
| 287 | R | 45.4 | Very low | 62.3 | Low | 200 Ų | 200 | 106.8 Ų | 106.8 | 76% | 0.755 | 51% | 0.514 | S | S | * | . | trans | -69.1 | 82.8 | 172.6 | -159.5 | -169.9 | -63.3 | 161.4 | 0.2 | 102.9 | K285 S289 | K285-R287 PolarHBondContact O-N 3.43Å; R287-S289 PolarHBondContact O-N 2.98Å | ||
| 288 | R | 43.9 | Very low | 62.6 | Low | 165 Ų | 165 | 106.2 Ų | 106.2 | 62% | 0.623 | 51% | 0.508 | S | S | * | . | trans | -25.6 | 117.3 | -171.6 | -77.8 | 176.1 | 168.9 | 137.6 | -1.3 | 108.3 | E286 K290 | E286-R288 PolarHBondContact O-N 3.49Å; R288-K290 VanDerWaalsContact C-N 3.29Å; R288-K290 WeakPolarHBondContact O-CG 3.41Å; R288-K290 PolarHBondContact O-N 3.24Å | ||
| 289 | S | 57.8 | Low | 63.4 | Low | 81 Ų | 81 | 106.8 Ų | 106.8 | 57% | 0.566 | 51% | 0.506 | S | S | * | . | trans | -43.4 | 99.6 | 173.5 | -46.2 | 0 | 0 | 0 | 0 | 107.5 | R287 I291 | R287-S289 PolarHBondContact O-N 2.98Å; S289-I291 PolarHBondContact O-N 3Å | ||
| 290 | K | 67.8 | Low | 64.3 | Low | 104 Ų | 104 | 106 Ų | 106 | 45% | 0.452 | 51% | 0.508 | S | S | . | . | trans | -73.9 | 108.4 | -175.2 | -74.3 | -175 | -179.6 | -175 | 0 | 104.9 | R288 Y292 | R288-K290 VanDerWaalsContact C-N 3.29Å; R288-K290 WeakPolarHBondContact O-CG 3.41Å; R288-K290 PolarHBondContact O-N 3.24Å; K290-Y292 HydrophobicContact CB-CE2 4.02Å; K290-Y292 WeakPolarHBondContact O-CD2 3.3Å; K290-Y292 WeakPolarHBondContact O-CE2 3.46Å; K290-Y292 PolarHBondContact O-N 3.36Å | ||
| 291 | I | 78.3 | Confident | 65.5 | Low | 61 Ų | 61 | 102.6 Ų | 102.6 | 31% | 0.313 | 49% | 0.493 | S | S | . | . | trans | -75.7 | 119.3 | 169.5 | -56.3 | 172.4 | 0 | 0 | 0 | 106 | S289 V293 T300 S301 | S289-I291 PolarHBondContact O-N 3Å; I291-V293 HydrophobicContact CG2-CG2 4.11Å; I291-T300 HydrophobicContact CG2-CG2 4.45Å; I291-S301 CarbonylContact C-O 3.49Å; I291-S301 WeakPolarHBondContact CA-O 3.45Å | ||
| 292 | Y | 77.2 | Confident | 66.7 | Low | 37 Ų | 37 | 97.9 Ų | 97.9 | 15% | 0.145 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 121.5 | 172.8 | -59.3 | -87.8 | 0 | 0 | 0 | 107.7 | K290 T300 S301 I304 Y307 | K290-Y292 HydrophobicContact CB-CE2 4.02Å; K290-Y292 WeakPolarHBondContact O-CD2 3.3Å; K290-Y292 WeakPolarHBondContact O-CE2 3.46Å; K290-Y292 PolarHBondContact O-N 3.36Å; Y292-T300 CarbonylContact O-C 3.58Å; Y292-T300 VanDerWaalsContact O-CA 3.3Å; Y292-T300 WeakPolarHBondContact O-CA 3.39Å; Y292-S301 PolarHBondContact N-O 3.02Å; Y292-S301 PolarHBondContact O-N 3.39Å; Y292-I304 HydrophobicContact CD1-CG1 4.31Å; Y292-I304 HydrophobicContact CD2-CB 4.31Å; Y292-I304 HydrophobicContact CE1-CB 4.19Å; Y292-I304 HydrophobicContact CE1-CD1 3.85Å; Y292-I304 HydrophobicContact CE1-CG1 3.69Å; Y292-I304 HydrophobicContact CE2-CB 3.6Å; Y292-I304 HydrophobicContact CE2-CG1 4.05Å; Y292-Y307 HydrophobicContact CD1-CD1 4.09Å; Y292-Y307 HydrophobicContact CD1-CE1 4.5Å; Y292-Y307 HydrophobicContact CD1-CG 4.37Å; Y292-Y307 HydrophobicContact CG-CD1 4.2Å; Y292-Y307 HydrophobicContact CG-CG 4.02Å |
| 293 | V | 81 | Confident | 68.2 | Low | 59 Ų | 59 | 91.5 Ų | 91.5 | 36% | 0.358 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.1 | 177.9 | -172.2 | 0 | 0 | 0 | 0 | 108.1 | I291 F299 T300 | I291-V293 HydrophobicContact CG2-CG2 4.11Å; V293-F299 CarbonylContact C-O 2.96Å; V293-F299 VanDerWaalsContact CA-O 3.31Å; V293-F299 WeakPolarHBondContact CA-O 3.5Å; V293-T300 HydrophobicContact CB-CG2 4.36Å; V293-T300 HydrophobicContact CG1-CG2 4.03Å; V293-T300 HydrophobicContact CG2-CG2 3.79Å |
| 294 | C | 82.2 | Confident | 70.1 | Confident | 4 Ų | 4 | 92.6 Ų | 92.6 | 3% | 0.027 | 46% | 0.462 | C | S | . | . | trans | -82.5 | 123.1 | 172.1 | -167.3 | 0 | 0 | 0 | 0 | 109.3 | D296 C297 G298 F299 Y307 H310 H315 | C294-D296 VanDerWaalsContact C-N 3.25Å; C294-D296 PolarHBondContact O-N 2.98Å; C294-C297 VanDerWaalsContact CB-SG 3.6Å; C294-G298 WeakPolarHBondContact O-CA 3.2Å; C294-G298 PolarHBondContact O-N 2.73Å; C294-F299 HydrophobicContact CB-CB 4.04Å; C294-F299 PolarHBondContact N-O 3.3Å; C294-Y307 HydrophobicContact CB-CE2 4.04Å; C294-H310 VanDerWaalsContact CB-NE2 3.28Å; C294-H310 WeakPolarHBondContact CB-NE2 3.42Å; C294-H310 PolarHBondContact SG-NE2 3.23Å; C294-H315 PolarHBondContact SG-CD2 2.81Å | ||
| 295 | E | 77.4 | Confident | 71.9 | Confident | 146 Ų | 146 | 89.5 Ų | 89.5 | 68% | 0.682 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -26.3 | -179.8 | -65.3 | -178.1 | 163.7 | 0 | 0 | 111.8 | ||
| 296 | D | 79.1 | Confident | 73.8 | Confident | 82 Ų | 82 | 84.7 Ų | 84.7 | 44% | 0.439 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -26 | -174.7 | -62.4 | -25.6 | 0 | 0 | 0 | 113.2 | C294 H315 T318 | C294-D296 VanDerWaalsContact C-N 3.25Å; C294-D296 PolarHBondContact O-N 2.98Å; D296-H315 WeakPolarHBondContact CB-CE1 3.4Å; D296-H315 WeakPolarHBondContact CB-ND1 3.33Å; D296-H315 IonicContact OD2-CE1 3.99Å; D296-H315 IonicContact OD2-CG 2.98Å; D296-H315 IonicContact OD2-ND1 3.3Å; D296-H315 PolarHBondContact OD2-ND1 3.24Å; D296-T318 VanDerWaalsContact OD2-CB 3.24Å; D296-T318 WeakPolarHBondContact OD2-CB 3.46Å; D296-T318 VanDerWaalsContact OD2-CG2 3.29Å; D296-T318 WeakPolarHBondContact OD2-CG2 3.4Å; D296-T318 PolarHBondContact OD2-OG1 3.26Å |
| 297 | C | 80.5 | Confident | 75.8 | Confident | 67 Ų | 67 | 79.1 Ų | 79.1 | 45% | 0.453 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.9 | 0.6 | -174.8 | 65.6 | 0 | 0 | 0 | 0 | 115.1 | C294 F299 H310 H315 | C294-C297 VanDerWaalsContact CB-SG 3.6Å; C297-F299 PolarHBondContact O-N 3.33Å; C297-F299 VanDerWaalsContact SG-CB 3.56Å; C297-H310 PolarHBondContact SG-CE1 2.66Å; C297-H310 PolarHBondContact SG-NE2 3.41Å; C297-H315 PolarHBondContact SG-NE2 3.05Å; C297-H315 VanDerWaalsContact SG-NE2 3.38Å |
| 298 | G | 81.9 | Confident | 77.6 | Confident | 47 Ų | 47 | 72.7 Ų | 72.7 | 49% | 0.485 | 39% | 0.394 | S | S | . | . | trans | 73.1 | 6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | C294 T300 | C294-G298 WeakPolarHBondContact O-CA 3.2Å; C294-G298 PolarHBondContact O-N 2.73Å; G298-T300 PolarHBondContact O-N 3.01Å | ||
| 299 | F | 84.1 | Confident | 79.6 | Confident | 76 Ų | 76 | 71 Ų | 71 | 33% | 0.333 | 39% | 0.393 | S | S | . | . | trans | -60.2 | 124.8 | 179.7 | -179.7 | -102.8 | 0 | 0 | 0 | 111.4 | V293 C294 C297 I306 H310 | V293-F299 CarbonylContact C-O 2.96Å; V293-F299 VanDerWaalsContact CA-O 3.31Å; V293-F299 WeakPolarHBondContact CA-O 3.5Å; C294-F299 HydrophobicContact CB-CB 4.04Å; C294-F299 PolarHBondContact N-O 3.3Å; C297-F299 PolarHBondContact O-N 3.33Å; C297-F299 VanDerWaalsContact SG-CB 3.56Å; F299-I306 HydrophobicContact CE1-CG2 3.99Å; F299-I306 HydrophobicContact CZ-CG2 3.84Å; F299-H310 VanDerWaalsContact CB-CE1 3.49Å; F299-H310 WeakPolarHBondContact CB-CE1 3.43Å; F299-H310 HydrophobicContact CD1-CB 3.84Å; F299-H310 AromaticContact CD1-CD2 3.73Å; F299-H310 AromaticContact CD1-CG 3.41Å; F299-H310 VanDerWaalsContact CD1-CG 3.41Å; F299-H310 AromaticContact CD1-ND1 3.66Å; F299-H310 HydrophobicContact CE1-CB 3.82Å; F299-H310 AromaticContact CE1-CG 3.91Å; F299-H310 AromaticContact CG-CE1 3.86Å; F299-H310 AromaticContact CG-CG 3.87Å; F299-H310 AromaticContact CG-ND1 3.63Å | ||
| 300 | T | 82.4 | Confident | 80.9 | Confident | 90 Ų | 90 | 67.9 Ų | 67.9 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.8 | 179.1 | 59.2 | 0 | 0 | 0 | 0 | 110.2 | I291 Y292 V293 G298 | I291-T300 HydrophobicContact CG2-CG2 4.45Å; Y292-T300 CarbonylContact O-C 3.58Å; Y292-T300 VanDerWaalsContact O-CA 3.3Å; Y292-T300 WeakPolarHBondContact O-CA 3.39Å; V293-T300 HydrophobicContact CB-CG2 4.36Å; V293-T300 HydrophobicContact CG1-CG2 4.03Å; V293-T300 HydrophobicContact CG2-CG2 3.79Å; G298-T300 PolarHBondContact O-N 3.01Å |
| 301 | S | 81.7 | Confident | 81.6 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 6% | 0.063 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 140.1 | 176.2 | 174.7 | 0 | 0 | 0 | 0 | 111 | I291 Y292 A303 | I291-S301 CarbonylContact C-O 3.49Å; I291-S301 WeakPolarHBondContact CA-O 3.45Å; Y292-S301 PolarHBondContact N-O 3.02Å; Y292-S301 PolarHBondContact O-N 3.39Å; S301-A303 PolarHBondContact OG-N 3.43Å; S301-A303 VanDerWaalsContact OG-N 3.11Å; S301-A303 PolarHBondContact OG-O 3.43Å |
| 302 | T | 79.8 | Confident | 81.9 | Confident | 109 Ų | 109 | 66.7 Ų | 66.7 | 67% | 0.669 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -84.8 | -16.3 | 172.4 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 303 | A | 81 | Confident | 82.1 | Confident | 31 Ų | 31 | 69.3 Ų | 69.3 | 26% | 0.256 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -106.4 | 131.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S301 D305 I306 Y307 | S301-A303 PolarHBondContact OG-N 3.43Å; S301-A303 VanDerWaalsContact OG-N 3.11Å; S301-A303 PolarHBondContact OG-O 3.43Å; A303-D305 PolarHBondContact O-N 3.17Å; A303-I306 HydrophobicContact CB-CB 4.46Å; A303-I306 HydrophobicContact CB-CD1 4.03Å; A303-I306 HydrophobicContact CB-CG1 4.09Å; A303-I306 PolarHBondContact O-N 2.97Å; A303-Y307 PolarHBondContact O-N 2.98Å |
| 304 | I | 81.3 | Confident | 82 | Confident | 73 Ų | 73 | 71.9 Ų | 71.9 | 37% | 0.374 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.2 | -33.7 | 178.8 | -162 | 171 | 0 | 0 | 0 | 111.5 | Y292 I306 Y307 L308 | Y292-I304 HydrophobicContact CD1-CG1 4.31Å; Y292-I304 HydrophobicContact CD2-CB 4.31Å; Y292-I304 HydrophobicContact CE1-CB 4.19Å; Y292-I304 HydrophobicContact CE1-CD1 3.85Å; Y292-I304 HydrophobicContact CE1-CG1 3.69Å; Y292-I304 HydrophobicContact CE2-CB 3.6Å; Y292-I304 HydrophobicContact CE2-CG1 4.05Å; I304-I306 PolarHBondContact O-N 3.26Å; I304-Y307 PolarHBondContact O-N 3.4Å; I304-L308 HydrophobicContact CG1-CD1 4.08Å; I304-L308 HydrophobicContact CG1-CG 4.23Å; I304-L308 WeakPolarHBondContact O-CB 3.36Å; I304-L308 VanDerWaalsContact O-CG 3.31Å; I304-L308 WeakPolarHBondContact O-CG 3.4Å; I304-L308 PolarHBondContact O-N 3.31Å |
| 305 | D | 80.9 | Confident | 81.9 | Confident | 117 Ų | 117 | 73.2 Ų | 73.2 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -65.3 | -43.8 | -175.9 | -47.2 | -42.8 | 0 | 0 | 0 | 111.1 | A303 L308 Q309 | A303-D305 PolarHBondContact O-N 3.17Å; D305-L308 PolarHBondContact O-N 3.04Å; D305-Q309 WeakPolarHBondContact O-CB 3.42Å; D305-Q309 PolarHBondContact O-N 3.47Å |
| 306 | I | 83.4 | Confident | 81.7 | Confident | 91 Ų | 91 | 70.2 Ų | 70.2 | 47% | 0.467 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 176.6 | -59.4 | 176.9 | 0 | 0 | 0 | 110.3 | F299 A303 I304 Q309 H310 | F299-I306 HydrophobicContact CE1-CG2 3.99Å; F299-I306 HydrophobicContact CZ-CG2 3.84Å; A303-I306 HydrophobicContact CB-CB 4.46Å; A303-I306 HydrophobicContact CB-CD1 4.03Å; A303-I306 HydrophobicContact CB-CG1 4.09Å; A303-I306 PolarHBondContact O-N 2.97Å; I304-I306 PolarHBondContact O-N 3.26Å; I306-Q309 PolarHBondContact O-N 3Å; I306-H310 VanDerWaalsContact O-CB 3.3Å; I306-H310 WeakPolarHBondContact O-CB 3.43Å; I306-H310 PolarHBondContact O-N 3.05Å |
| 307 | Y | 83.9 | Confident | 81.1 | Confident | 13 Ų | 13 | 73 Ų | 73 | 5% | 0.051 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 176.5 | 173 | -100.2 | 0 | 0 | 0 | 112.1 | Y292 C294 A303 I304 Q309 H310 T311 Q322 | Y292-Y307 HydrophobicContact CD1-CD1 4.09Å; Y292-Y307 HydrophobicContact CD1-CE1 4.5Å; Y292-Y307 HydrophobicContact CD1-CG 4.37Å; Y292-Y307 HydrophobicContact CG-CD1 4.2Å; Y292-Y307 HydrophobicContact CG-CG 4.02Å; C294-Y307 HydrophobicContact CB-CE2 4.04Å; A303-Y307 PolarHBondContact O-N 2.98Å; I304-Y307 PolarHBondContact O-N 3.4Å; Y307-Q309 VanDerWaalsContact C-N 3.31Å; Y307-Q309 PolarHBondContact O-N 3.42Å; Y307-H310 WeakPolarHBondContact O-CB 3.39Å; Y307-H310 PolarHBondContact O-N 3.4Å; Y307-T311 HydrophobicContact CD1-CG2 4.39Å; Y307-T311 HydrophobicContact CD2-CG2 4.39Å; Y307-T311 HydrophobicContact CE1-CG2 3.93Å; Y307-T311 HydrophobicContact CE2-CG2 3.94Å; Y307-T311 WeakPolarHBondContact O-CG2 3.49Å; Y307-T311 PolarHBondContact O-N 3.48Å; Y307-T311 PolarHBondContact O-OG1 2.95Å; Y307-Q322 PolarHBondContact OH-NE2 2.93Å |
| 308 | L | 84.2 | Confident | 80.6 | Confident | 64 Ų | 64 | 72 Ų | 72 | 34% | 0.335 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.8 | -34 | 177.8 | -72.4 | 173.7 | 0 | 0 | 0 | 112.5 | I304 D305 T311 K312 | I304-L308 HydrophobicContact CG1-CD1 4.08Å; I304-L308 HydrophobicContact CG1-CG 4.23Å; I304-L308 WeakPolarHBondContact O-CB 3.36Å; I304-L308 VanDerWaalsContact O-CG 3.31Å; I304-L308 WeakPolarHBondContact O-CG 3.4Å; I304-L308 PolarHBondContact O-N 3.31Å; D305-L308 PolarHBondContact O-N 3.04Å; L308-T311 PolarHBondContact O-OG1 3.06Å; L308-K312 WeakPolarHBondContact O-CB 3.42Å; L308-K312 WeakPolarHBondContact O-CD 3.46Å; L308-K312 WeakPolarHBondContact O-CG 3.46Å; L308-K312 PolarHBondContact O-N 3.34Å; L308-K312 VanDerWaalsContact O-N 3.14Å |
| 309 | Q | 85.1 | Confident | 79.7 | Confident | 131 Ų | 131 | 70.3 Ų | 70.3 | 61% | 0.612 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -68.4 | -45.4 | 173.5 | -173 | 168.8 | -5 | 0 | 0 | 110.7 | D305 I306 Y307 T311 K312 T313 | D305-Q309 WeakPolarHBondContact O-CB 3.42Å; D305-Q309 PolarHBondContact O-N 3.47Å; I306-Q309 PolarHBondContact O-N 3Å; Y307-Q309 VanDerWaalsContact C-N 3.31Å; Y307-Q309 PolarHBondContact O-N 3.42Å; Q309-T311 PolarHBondContact O-N 3.22Å; Q309-K312 PolarHBondContact O-N 3.49Å; Q309-T313 HydrophobicContact CG-CG2 4.44Å; Q309-T313 WeakPolarHBondContact O-CG2 3.32Å; Q309-T313 PolarHBondContact O-N 2.71Å; Q309-T313 PolarHBondContact O-OG1 3.49Å; Q309-T313 VanDerWaalsContact O-OG1 3.07Å |
| 310 | H | 85.1 | Confident | 78.6 | Confident | 15 Ų | 15 | 68.9 Ų | 68.9 | 7% | 0.069 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -55.3 | -48.6 | 174.8 | 162.7 | 80.9 | 0 | 0 | 0 | 112.4 | C294 C297 F299 I306 Y307 K312 T313 L314 H315 | C294-H310 VanDerWaalsContact CB-NE2 3.28Å; C294-H310 WeakPolarHBondContact CB-NE2 3.42Å; C294-H310 PolarHBondContact SG-NE2 3.23Å; C297-H310 PolarHBondContact SG-CE1 2.66Å; C297-H310 PolarHBondContact SG-NE2 3.41Å; F299-H310 VanDerWaalsContact CB-CE1 3.49Å; F299-H310 WeakPolarHBondContact CB-CE1 3.43Å; F299-H310 HydrophobicContact CD1-CB 3.84Å; F299-H310 AromaticContact CD1-CD2 3.73Å; F299-H310 AromaticContact CD1-CG 3.41Å; F299-H310 VanDerWaalsContact CD1-CG 3.41Å; F299-H310 AromaticContact CD1-ND1 3.66Å; F299-H310 HydrophobicContact CE1-CB 3.82Å; F299-H310 AromaticContact CE1-CG 3.91Å; F299-H310 AromaticContact CG-CE1 3.86Å; F299-H310 AromaticContact CG-CG 3.87Å; F299-H310 AromaticContact CG-ND1 3.63Å; I306-H310 VanDerWaalsContact O-CB 3.3Å; I306-H310 WeakPolarHBondContact O-CB 3.43Å; I306-H310 PolarHBondContact O-N 3.05Å; Y307-H310 WeakPolarHBondContact O-CB 3.39Å; Y307-H310 PolarHBondContact O-N 3.4Å; H310-K312 VanDerWaalsContact C-N 3.34Å; H310-K312 PolarHBondContact O-N 3.07Å; H310-T313 PolarHBondContact O-N 3Å; H310-T313 PolarHBondContact O-OG1 3.48Å; H310-L314 PolarHBondContact O-N 2.91Å; H310-H315 AromaticContact CE1-NE2 3.89Å; H310-H315 AromaticContact NE2-CD2 3.47Å; H310-H315 PolarHBondContact NE2-CD2 2.96Å; H310-H315 AromaticContact NE2-NE2 3.65Å |
| 311 | T | 83.5 | Confident | 77.5 | Confident | 5 Ų | 5 | 68.8 Ų | 68.8 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 178.8 | 58.2 | 0 | 0 | 0 | 0 | 111.7 | Y307 L308 Q309 H315 | Y307-T311 HydrophobicContact CD1-CG2 4.39Å; Y307-T311 HydrophobicContact CD2-CG2 4.39Å; Y307-T311 HydrophobicContact CE1-CG2 3.93Å; Y307-T311 HydrophobicContact CE2-CG2 3.94Å; Y307-T311 WeakPolarHBondContact O-CG2 3.49Å; Y307-T311 PolarHBondContact O-N 3.48Å; Y307-T311 PolarHBondContact O-OG1 2.95Å; L308-T311 PolarHBondContact O-OG1 3.06Å; Q309-T311 PolarHBondContact O-N 3.22Å; T311-H315 CarbonylContact O-C 3.46Å; T311-H315 VanDerWaalsContact O-CA 3.25Å; T311-H315 WeakPolarHBondContact O-CA 3.45Å; T311-H315 WeakPolarHBondContact O-CB 3.29Å; T311-H315 PolarHBondContact O-N 3.37Å |
| 312 | K | 83.9 | Confident | 76.5 | Confident | 134 Ų | 134 | 71.9 Ų | 71.9 | 58% | 0.583 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.6 | -38.6 | 175.6 | -75 | 170.7 | -173.8 | 177.9 | 0 | 113.1 | L308 Q309 H310 | L308-K312 WeakPolarHBondContact O-CB 3.42Å; L308-K312 WeakPolarHBondContact O-CD 3.46Å; L308-K312 WeakPolarHBondContact O-CG 3.46Å; L308-K312 PolarHBondContact O-N 3.34Å; L308-K312 VanDerWaalsContact O-N 3.14Å; Q309-K312 PolarHBondContact O-N 3.49Å; H310-K312 VanDerWaalsContact C-N 3.34Å; H310-K312 PolarHBondContact O-N 3.07Å |
| 313 | T | 82.3 | Confident | 75.4 | Confident | 93 Ų | 93 | 75.2 Ų | 75.2 | 57% | 0.571 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -83.4 | -41 | -174.6 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | Q309 H310 | Q309-T313 HydrophobicContact CG-CG2 4.44Å; Q309-T313 WeakPolarHBondContact O-CG2 3.32Å; Q309-T313 PolarHBondContact O-N 2.71Å; Q309-T313 PolarHBondContact O-OG1 3.49Å; Q309-T313 VanDerWaalsContact O-OG1 3.07Å; H310-T313 PolarHBondContact O-N 3Å; H310-T313 PolarHBondContact O-OG1 3.48Å |
| 314 | L | 79 | Confident | 74.1 | Confident | 113 Ų | 113 | 80.6 Ų | 80.6 | 59% | 0.592 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -102.8 | -22.9 | -173.2 | -65.3 | 177.8 | 0 | 0 | 0 | 113.1 | H310 | H310-L314 PolarHBondContact O-N 2.91Å |
| 315 | H | 80.1 | Confident | 72.1 | Confident | 31 Ų | 31 | 79 Ų | 79 | 14% | 0.144 | 42% | 0.421 | C | S | . | . | trans | -130.7 | 54.1 | -173.9 | -59.8 | -59.5 | 0 | 0 | 0 | 111.7 | C294 D296 C297 H310 T311 L317 T318 A319 | C294-H315 PolarHBondContact SG-CD2 2.81Å; D296-H315 WeakPolarHBondContact CB-CE1 3.4Å; D296-H315 WeakPolarHBondContact CB-ND1 3.33Å; D296-H315 IonicContact OD2-CE1 3.99Å; D296-H315 IonicContact OD2-CG 2.98Å; D296-H315 IonicContact OD2-ND1 3.3Å; D296-H315 PolarHBondContact OD2-ND1 3.24Å; C297-H315 PolarHBondContact SG-NE2 3.05Å; C297-H315 VanDerWaalsContact SG-NE2 3.38Å; H310-H315 AromaticContact CE1-NE2 3.89Å; H310-H315 AromaticContact NE2-CD2 3.47Å; H310-H315 PolarHBondContact NE2-CD2 2.96Å; H310-H315 AromaticContact NE2-NE2 3.65Å; T311-H315 CarbonylContact O-C 3.46Å; T311-H315 VanDerWaalsContact O-CA 3.25Å; T311-H315 WeakPolarHBondContact O-CA 3.45Å; T311-H315 WeakPolarHBondContact O-CB 3.29Å; T311-H315 PolarHBondContact O-N 3.37Å; H315-L317 PolarHBondContact O-N 3.3Å; H315-T318 WeakPolarHBondContact CB-OG1 3.41Å; H315-T318 PolarHBondContact O-N 3.42Å; H315-A319 WeakPolarHBondContact O-CB 3.43Å; H315-A319 PolarHBondContact O-N 2.91Å | ||
| 316 | P | 73.1 | Confident | 70 | Confident | 83 Ų | 83 | 83.6 Ų | 83.6 | 54% | 0.539 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.7 | -33.4 | -173.4 | 23.7 | -33.6 | 0 | 0 | 0 | 112.8 | A320 | P316-A320 WeakPolarHBondContact O-CB 3.22Å; P316-A320 PolarHBondContact O-N 3.5Å |
| 317 | L | 66.7 | Low | 68.1 | Low | 141 Ų | 141 | 87.7 Ų | 87.7 | 74% | 0.738 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -69.4 | -44.8 | 174.8 | -69.1 | 171.2 | 0 | 0 | 0 | 111.8 | H315 A320 L321 | H315-L317 PolarHBondContact O-N 3.3Å; L317-A320 PolarHBondContact O-N 2.97Å; L317-L321 WeakPolarHBondContact O-CG 3.35Å; L317-L321 PolarHBondContact O-N 2.98Å |
| 318 | T | 68.2 | Low | 66 | Low | 45 Ų | 45 | 92.5 Ų | 92.5 | 28% | 0.276 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.3 | -34.8 | 178.3 | -17.2 | 0 | 0 | 0 | 0 | 111.7 | D296 H315 L321 Q322 | D296-T318 VanDerWaalsContact OD2-CB 3.24Å; D296-T318 WeakPolarHBondContact OD2-CB 3.46Å; D296-T318 VanDerWaalsContact OD2-CG2 3.29Å; D296-T318 WeakPolarHBondContact OD2-CG2 3.4Å; D296-T318 PolarHBondContact OD2-OG1 3.26Å; H315-T318 WeakPolarHBondContact CB-OG1 3.41Å; H315-T318 PolarHBondContact O-N 3.42Å; T318-L321 PolarHBondContact O-N 3.37Å; T318-Q322 PolarHBondContact O-N 3.16Å |
| 319 | A | 63.7 | Low | 64.2 | Low | 13 Ų | 13 | 91.8 Ų | 91.8 | 11% | 0.107 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -67.7 | -33.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H315 | H315-A319 WeakPolarHBondContact O-CB 3.43Å; H315-A319 PolarHBondContact O-N 2.91Å |
| 320 | A | 61.2 | Low | 62.4 | Low | 45 Ų | 45 | 93.7 Ų | 93.7 | 37% | 0.372 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71 | -39.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P316 L317 K323 I324 | P316-A320 WeakPolarHBondContact O-CB 3.22Å; P316-A320 PolarHBondContact O-N 3.5Å; L317-A320 PolarHBondContact O-N 2.97Å; A320-K323 WeakPolarHBondContact O-CB 3.43Å; A320-K323 PolarHBondContact O-N 2.9Å; A320-I324 PolarHBondContact O-N 3.42Å |
| 321 | L | 59.6 | Low | 60.4 | Low | 88 Ų | 88 | 98.6 Ų | 98.6 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.8 | -34.8 | 176.7 | -70.1 | 172.1 | 0 | 0 | 0 | 113 | L317 T318 K323 I324 G325 | L317-L321 WeakPolarHBondContact O-CG 3.35Å; L317-L321 PolarHBondContact O-N 2.98Å; T318-L321 PolarHBondContact O-N 3.37Å; L321-K323 PolarHBondContact O-N 2.89Å; L321-I324 PolarHBondContact O-N 3.38Å; L321-I324 VanDerWaalsContact O-N 3.08Å; L321-G325 PolarHBondContact O-N 3.43Å |
| 322 | Q | 60 | Low | 58.2 | Low | 74 Ų | 74 | 108 Ų | 108 | 35% | 0.346 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.3 | -24.5 | 172.1 | -88.1 | -176.5 | -7.5 | 0 | 0 | 113.1 | Y307 T318 | Y307-Q322 PolarHBondContact OH-NE2 2.93Å; T318-Q322 PolarHBondContact O-N 3.16Å |
| 323 | K | 58.2 | Low | 56.1 | Low | 179 Ų | 179 | 110.3 Ų | 110.3 | 78% | 0.778 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -83.2 | -22.2 | 175.5 | -69.3 | 178.6 | 179.8 | 178.1 | 0 | 113.7 | A320 L321 | A320-K323 WeakPolarHBondContact O-CB 3.43Å; A320-K323 PolarHBondContact O-N 2.9Å; L321-K323 PolarHBondContact O-N 2.89Å |
| 324 | I | 53.4 | Low | 54 | Low | 145 Ų | 145 | 109.7 Ų | 109.7 | 74% | 0.744 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -104.8 | -25.1 | -170.9 | -61.7 | 170.2 | 0 | 0 | 0 | 112.1 | A320 L321 | A320-I324 PolarHBondContact O-N 3.42Å; L321-I324 PolarHBondContact O-N 3.38Å; L321-I324 VanDerWaalsContact O-N 3.08Å |
| 325 | G | 37.8 | Very low | 52.2 | Low | 38 Ų | 38 | 109.7 Ų | 109.7 | 39% | 0.392 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -142.3 | 138.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L321 R327 | L321-G325 PolarHBondContact O-N 3.43Å; G325-R327 PolarHBondContact O-N 2.91Å |
| 326 | K | 38.7 | Very low | 50.3 | Low | 214 Ų | 214 | 111.2 Ų | 111.2 | 93% | 0.93 | 57% | 0.574 | S | S | * | * | trans | -56.3 | 60.6 | 179.4 | -59.5 | 169.7 | 179.6 | 172.1 | 0 | 114.1 | T328 | K326-T328 PolarHBondContact O-N 3.23Š| ||
| 327 | R | 41.8 | Very low | 48.7 | Very low | 177 Ų | 177 | 113.1 Ų | 113.1 | 67% | 0.668 | 59% | 0.59 | S | S | * | * | trans | -83 | 104.4 | 170.2 | -85.1 | -174.8 | 157 | 141.5 | -3.7 | 109.1 | G325 V329 | G325-R327 PolarHBondContact O-N 2.91Å; R327-V329 PolarHBondContact O-N 3.46Å | ||
| 328 | T | 41.1 | Very low | 47.5 | Very low | 114 Ų | 114 | 113 Ų | 113 | 70% | 0.699 | 60% | 0.595 | S | S | * | * | trans | -64.4 | 115.9 | 178.1 | 53.4 | 0 | 0 | 0 | 0 | 110.1 | K326 K330 | K326-T328 PolarHBondContact O-N 3.23Å; T328-K330 PolarHBondContact O-N 2.91Å; T328-K330 VanDerWaalsContact O-N 3.13Å | ||
| 329 | V | 45.9 | Very low | 46.1 | Very low | 50 Ų | 50 | 113.5 Ų | 113.5 | 30% | 0.303 | 61% | 0.608 | S | S | . | * | trans | -59.5 | 114.3 | 166.8 | 175.2 | 0 | 0 | 0 | 0 | 107.9 | R327 H331 | R327-V329 PolarHBondContact O-N 3.46Å; V329-H331 PolarHBondContact O-N 3.41Å | ||
| 330 | K | 47.4 | Very low | 44.7 | Very low | 170 Ų | 170 | 119.3 Ų | 119.3 | 74% | 0.739 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 128.9 | 174.1 | -75 | 179.5 | 179.9 | 173.3 | 0 | 109.2 | T328 | T328-K330 PolarHBondContact O-N 2.91Å; T328-K330 VanDerWaalsContact O-N 3.13Å |
| 331 | H | 43.2 | Very low | 43.7 | Very low | 119 Ų | 119 | 121.8 Ų | 121.8 | 55% | 0.551 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 119.8 | 178.8 | -63.8 | -51.1 | 0 | 0 | 0 | 109.6 | V329 | V329-H331 PolarHBondContact O-N 3.41Š|
| 332 | Y | 36.7 | Very low | 42.6 | Very low | 201 Ų | 201 | 122.8 Ų | 122.8 | 79% | 0.788 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 133 | 168.4 | -147.1 | -97.9 | 0 | 0 | 0 | 109.9 | ||
| 333 | R | 39.5 | Very low | 41.7 | Very low | 183 Ų | 183 | 124 Ų | 124 | 69% | 0.691 | 70% | 0.696 | S | S | * | * | trans | -87.1 | 113.9 | 175.4 | -165 | -170.6 | -114.5 | -150.6 | 5.4 | 106.6 | ||||
| 334 | S | 38.3 | Very low | 41 | Very low | 80 Ų | 80 | 121.5 Ų | 121.5 | 56% | 0.559 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 130.3 | 172 | -70.6 | 0 | 0 | 0 | 0 | 109.6 | G336 | S334-G336 PolarHBondContact O-N 2.9Š|
| 335 | P | 42.8 | Very low | 40.2 | Very low | 114 Ų | 114 | 121.7 Ų | 121.7 | 74% | 0.74 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 133.2 | 165.8 | -18.7 | 30.5 | 0 | 0 | 0 | 108.5 | S337 | P335-S337 PolarHBondContact O-N 3.5Š|
| 336 | G | 38.8 | Very low | 40.5 | Very low | 62 Ų | 62 | 124.7 Ų | 124.7 | 64% | 0.639 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 137.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | S334 V338 | S334-G336 PolarHBondContact O-N 2.9Å; G336-V338 PolarHBondContact O-N 2.88Å |
| 337 | S | 40.6 | Very low | 40.7 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | trans | -43.1 | 106 | 172.5 | 50.8 | 0 | 0 | 0 | 0 | 111.7 | P335 | P335-S337 PolarHBondContact O-N 3.5Š| ||
| 338 | V | 41.5 | Very low | 40.3 | Very low | 140 Ų | 140 | 118.3 Ų | 118.3 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | trans | -88.5 | 120.3 | 158.2 | -172.8 | 0 | 0 | 0 | 0 | 105.3 | G336 | G336-V338 PolarHBondContact O-N 2.88Š| ||
| 339 | G | 37.2 | Very low | 40.2 | Very low | 54 Ų | 54 | 118.4 Ų | 118.4 | 56% | 0.557 | 72% | 0.721 | S | S | * | * | trans | -62.3 | 171.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A341 | G339-A341 PolarHBondContact O-N 2.97Š| ||
| 340 | P | 36 | Very low | 40.2 | Very low | 136 Ų | 136 | 124.6 Ų | 124.6 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -72.1 | 106.4 | -174 | 31.1 | -30.7 | 0 | 0 | 0 | 108.8 | S342 | P340-S342 PolarHBondContact O-N 3.43Š| ||
| 341 | A | 39.5 | Very low | 39.9 | Very low | 96 Ų | 96 | 122.3 Ų | 122.3 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | trans | -84.2 | 96.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | G339 | G339-A341 PolarHBondContact O-N 2.97Š| ||
| 342 | S | 36.6 | Very low | 39.7 | Very low | 110 Ų | 110 | 122.5 Ų | 122.5 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -63.4 | 123.4 | 159.2 | 50.8 | 0 | 0 | 0 | 0 | 110.1 | P340 | P340-S342 PolarHBondContact O-N 3.43Š| ||
| 343 | S | 41.5 | Very low | 39.8 | Very low | 99 Ų | 99 | 118.1 Ų | 118.1 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | 165.2 | 101.3 | 150.9 | 28.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 344 | V | 42.9 | Very low | 39.9 | Very low | 126 Ų | 126 | 114.3 Ų | 114.3 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | 57.5 | 131.2 | 103.9 | -59.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 345 | D | 36.9 | Very low | 40 | Very low | 149 Ų | 149 | 116.4 Ų | 116.4 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | 101 | 129.1 | 159.2 | -60.4 | -28.8 | 0 | 0 | 0 | 119.9 | ||||
| 346 | S | 42.7 | Very low | 39.8 | Very low | 102 Ų | 102 | 116.6 Ų | 116.6 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | trans | 105.1 | 82.7 | 145.5 | -52.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 347 | T | 43.6 | Very low | 39.8 | Very low | 134 Ų | 134 | 120.5 Ų | 120.5 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | 66.2 | 109.1 | 121 | 52.6 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 348 | C | 34 | Very low | 39.8 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | trans | -54.3 | 131.3 | 148.2 | -179.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 349 | S | 39.6 | Very low | 39.6 | Very low | 116 Ų | 116 | 118.7 Ų | 118.7 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | trans | 160.5 | 114 | 131.4 | -69.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 350 | A | 45.2 | Very low | 39.9 | Very low | 180 Ų | 180 | 124.5 Ų | 124.5 | 100% | 1.488 | 85% | 0.851 | S | S | * | * | trans | -164 | 0 | 142.1 | 0 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 350 of 350 residues in 83.8 ms
(Link to these results)