| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.3 | Very low | 65.4 | Low | 217 Ų | 217 | 107.3 Ų | 107.3 | 100% | 1.069 | 60% | 0.601 | S | S | * | * | 0 | -49.9 | 0 | -68.8 | -178.3 | 179.1 | 0 | 0 | 113.8 | K3 V4 | M1-K3 PolarHBondContact O-N 3.45Å; M1-V4 PolarHBondContact O-N 3.04Å | |||
| 2 | G | 58.8 | Low | 65.7 | Low | 52 Ų | 52 | 103.2 Ų | 103.2 | 54% | 0.536 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -40.5 | -48 | -169.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | V4 V5 T6 | G2-V4 VanDerWaalsContact C-N 3.28Å; G2-V4 PolarHBondContact O-N 3.19Å; G2-V5 WeakPolarHBondContact O-CB 3.45Å; G2-V5 PolarHBondContact O-N 3.11Å; G2-V5 VanDerWaalsContact O-N 3.07Å; G2-T6 PolarHBondContact O-N 3.07Å; G2-T6 VanDerWaalsContact O-N 3.12Å; G2-T6 PolarHBondContact O-OG1 3.03Å |
| 3 | K | 49.3 | Very low | 66.1 | Low | 192 Ų | 192 | 107 Ų | 107 | 84% | 0.835 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.9 | -29.3 | -177.7 | -66.8 | -172.9 | 176.9 | -177.2 | 0 | 114.7 | M1 A7 | M1-K3 PolarHBondContact O-N 3.45Å; K3-A7 PolarHBondContact O-N 3.22Å; K3-A7 VanDerWaalsContact O-N 3.16Å |
| 4 | V | 61.6 | Low | 66.2 | Low | 96 Ų | 96 | 110.1 Ų | 110.1 | 58% | 0.582 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.9 | -37.8 | 176.4 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | M1 G2 A7 I8 | M1-V4 PolarHBondContact O-N 3.04Å; G2-V4 VanDerWaalsContact C-N 3.28Å; G2-V4 PolarHBondContact O-N 3.19Å; V4-A7 PolarHBondContact O-N 3.12Å; V4-I8 HydrophobicContact CG1-CD1 3.97Å; V4-I8 WeakPolarHBondContact O-CG1 3.34Å; V4-I8 PolarHBondContact O-N 3.39Å |
| 5 | V | 69.2 | Low | 65.9 | Low | 88 Ų | 88 | 109.1 Ų | 109.1 | 53% | 0.533 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.9 | -43.8 | 175.8 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | G2 A7 I8 C9 | G2-V5 WeakPolarHBondContact O-CB 3.45Å; G2-V5 PolarHBondContact O-N 3.11Å; G2-V5 VanDerWaalsContact O-N 3.07Å; V5-A7 VanDerWaalsContact C-N 3.35Å; V5-A7 PolarHBondContact O-N 2.86Å; V5-I8 PolarHBondContact O-N 2.99Å; V5-C9 WeakPolarHBondContact O-CB 3.32Å; V5-C9 PolarHBondContact O-N 3.33Å; V5-C9 PolarHBondContact O-SG 2.68Å |
| 6 | T | 75.3 | Confident | 65.5 | Low | 82 Ų | 82 | 108.2 Ų | 108.2 | 50% | 0.503 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.1 | -41 | 176.4 | -37.8 | 0 | 0 | 0 | 0 | 112.2 | G2 C9 L10 | G2-T6 PolarHBondContact O-N 3.07Å; G2-T6 VanDerWaalsContact O-N 3.12Å; G2-T6 PolarHBondContact O-OG1 3.03Å; T6-C9 PolarHBondContact O-N 3.16Å; T6-L10 HydrophobicContact CG2-CD1 4.24Å; T6-L10 WeakPolarHBondContact O-CB 3.25Å; T6-L10 WeakPolarHBondContact O-CG 3.37Å; T6-L10 PolarHBondContact O-N 2.79Å |
| 7 | A | 69.2 | Low | 65.1 | Low | 59 Ų | 59 | 110.1 Ų | 110.1 | 49% | 0.488 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.5 | -44.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K3 V4 V5 L10 F11 | K3-A7 PolarHBondContact O-N 3.22Å; K3-A7 VanDerWaalsContact O-N 3.16Å; V4-A7 PolarHBondContact O-N 3.12Å; V5-A7 VanDerWaalsContact C-N 3.35Å; V5-A7 PolarHBondContact O-N 2.86Å; A7-L10 PolarHBondContact O-N 3.45Å; A7-F11 WeakPolarHBondContact O-CB 3.3Å; A7-F11 PolarHBondContact O-N 3.44Å |
| 8 | I | 73.2 | Confident | 64.4 | Low | 104 Ų | 104 | 108.6 Ų | 108.6 | 53% | 0.533 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.5 | -46 | 176.1 | -67.1 | 169 | 0 | 0 | 0 | 110.6 | V4 V5 L10 F11 S12 | V4-I8 HydrophobicContact CG1-CD1 3.97Å; V4-I8 WeakPolarHBondContact O-CG1 3.34Å; V4-I8 PolarHBondContact O-N 3.39Å; V5-I8 PolarHBondContact O-N 2.99Å; I8-L10 VanDerWaalsContact C-N 3.32Å; I8-L10 PolarHBondContact O-N 3.32Å; I8-F11 PolarHBondContact O-N 2.94Å; I8-S12 WeakPolarHBondContact O-CB 3.42Å; I8-S12 PolarHBondContact O-N 3.3Å; I8-S12 PolarHBondContact O-OG 3.14Å |
| 9 | C | 71.4 | Confident | 63.5 | Low | 66 Ų | 66 | 113.2 Ų | 113.2 | 45% | 0.446 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.5 | -40.4 | 176.5 | -71.8 | 0 | 0 | 0 | 0 | 112.5 | V5 T6 F13 | V5-C9 WeakPolarHBondContact O-CB 3.32Å; V5-C9 PolarHBondContact O-N 3.33Å; V5-C9 PolarHBondContact O-SG 2.68Å; T6-C9 PolarHBondContact O-N 3.16Å; C9-F13 WeakPolarHBondContact O-CB 3.43Å; C9-F13 PolarHBondContact O-N 2.86Å |
| 10 | L | 74.2 | Confident | 62.6 | Low | 116 Ų | 116 | 113.2 Ų | 113.2 | 61% | 0.607 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.1 | -37.2 | 175.9 | -73.1 | 170.8 | 0 | 0 | 0 | 112.4 | T6 A7 I8 F13 Y14 | T6-L10 HydrophobicContact CG2-CD1 4.24Å; T6-L10 WeakPolarHBondContact O-CB 3.25Å; T6-L10 WeakPolarHBondContact O-CG 3.37Å; T6-L10 PolarHBondContact O-N 2.79Å; A7-L10 PolarHBondContact O-N 3.45Å; I8-L10 VanDerWaalsContact C-N 3.32Å; I8-L10 PolarHBondContact O-N 3.32Å; L10-F13 PolarHBondContact O-N 3.31Å; L10-Y14 WeakPolarHBondContact O-CB 3.26Å; L10-Y14 PolarHBondContact O-N 3.11Å |
| 11 | F | 72.4 | Confident | 61.6 | Low | 108 Ų | 108 | 113.4 Ų | 113.4 | 47% | 0.474 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69 | -37.3 | 175 | -149.5 | -95.8 | 0 | 0 | 0 | 111.7 | A7 I8 Y14 L15 P729 | A7-F11 WeakPolarHBondContact O-CB 3.3Å; A7-F11 PolarHBondContact O-N 3.44Å; I8-F11 PolarHBondContact O-N 2.94Å; F11-Y14 PolarHBondContact O-N 3.05Å; F11-L15 HydrophobicContact CD1-CD1 3.76Å; F11-L15 HydrophobicContact CD1-CG 4.26Å; F11-L15 HydrophobicContact CE1-CD1 3.93Å; F11-L15 HydrophobicContact CE1-CG 4.34Å; F11-L15 WeakPolarHBondContact O-CB 3.45Å; F11-L15 WeakPolarHBondContact O-CG 3.44Å; F11-L15 PolarHBondContact O-N 3.44Å; F11-P729 HydrophobicContact CD2-CG 4.18Å; F11-P729 HydrophobicContact CE2-CB 4.46Å; F11-P729 HydrophobicContact CE2-CG 3.65Å; F11-P729 HydrophobicContact CZ-CG 3.94Å |
| 12 | S | 68.4 | Low | 61.2 | Low | 58 Ų | 58 | 110.1 Ų | 110.1 | 41% | 0.406 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.5 | -40.8 | 170.1 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | I8 L15 L16 | I8-S12 WeakPolarHBondContact O-CB 3.42Å; I8-S12 PolarHBondContact O-N 3.3Å; I8-S12 PolarHBondContact O-OG 3.14Å; S12-L15 PolarHBondContact O-N 3.26Å; S12-L16 VanDerWaalsContact O-CB 3.31Å; S12-L16 WeakPolarHBondContact O-CB 3.43Å; S12-L16 VanDerWaalsContact O-CG 3.31Å; S12-L16 WeakPolarHBondContact O-CG 3.19Å; S12-L16 PolarHBondContact O-N 3.47Å |
| 13 | F | 70.8 | Confident | 60.1 | Low | 153 Ų | 153 | 111.9 Ų | 111.9 | 67% | 0.671 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65 | -38.7 | 173.3 | -105.3 | -86.6 | 0 | 0 | 0 | 112 | C9 L10 L16 Y17 | C9-F13 WeakPolarHBondContact O-CB 3.43Å; C9-F13 PolarHBondContact O-N 2.86Å; L10-F13 PolarHBondContact O-N 3.31Å; F13-L16 PolarHBondContact O-N 3.38Å; F13-Y17 VanDerWaalsContact O-CB 3.25Å; F13-Y17 WeakPolarHBondContact O-CB 3.06Å; F13-Y17 PolarHBondContact O-N 3.37Å |
| 14 | Y | 68.5 | Low | 59.3 | Low | 151 Ų | 151 | 109.1 Ų | 109.1 | 59% | 0.592 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67 | -42.6 | 176.1 | -162.4 | -98.1 | 0 | 0 | 0 | 111.7 | L10 F11 L16 Y17 E18 | L10-Y14 WeakPolarHBondContact O-CB 3.26Å; L10-Y14 PolarHBondContact O-N 3.11Å; F11-Y14 PolarHBondContact O-N 3.05Å; Y14-L16 PolarHBondContact O-N 2.91Å; Y14-Y17 PolarHBondContact O-N 3.04Å; Y14-E18 HydrophobicContact CD1-CG 4.45Å; Y14-E18 HydrophobicContact CE1-CG 4.23Å; Y14-E18 PolarHBondContact O-N 3.14Å |
| 15 | L | 61.3 | Low | 57.9 | Low | 95 Ų | 95 | 112.1 Ų | 112.1 | 50% | 0.497 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.4 | -31.6 | 173.6 | -73.2 | 171.7 | 0 | 0 | 0 | 113.2 | F11 S12 R19 | F11-L15 HydrophobicContact CD1-CD1 3.76Å; F11-L15 HydrophobicContact CD1-CG 4.26Å; F11-L15 HydrophobicContact CE1-CD1 3.93Å; F11-L15 HydrophobicContact CE1-CG 4.34Å; F11-L15 WeakPolarHBondContact O-CB 3.45Å; F11-L15 WeakPolarHBondContact O-CG 3.44Å; F11-L15 PolarHBondContact O-N 3.44Å; S12-L15 PolarHBondContact O-N 3.26Å; L15-R19 WeakPolarHBondContact O-CB 3.36Å; L15-R19 PolarHBondContact O-N 2.91Å |
| 16 | L | 58.6 | Low | 56 | Low | 94 Ų | 94 | 112.4 Ų | 112.4 | 49% | 0.492 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72.2 | -33.5 | 170.5 | -79 | 165.3 | 0 | 0 | 0 | 112.1 | S12 F13 Y14 N20 | S12-L16 VanDerWaalsContact O-CB 3.31Å; S12-L16 WeakPolarHBondContact O-CB 3.43Å; S12-L16 VanDerWaalsContact O-CG 3.31Å; S12-L16 WeakPolarHBondContact O-CG 3.19Å; S12-L16 PolarHBondContact O-N 3.47Å; F13-L16 PolarHBondContact O-N 3.38Å; Y14-L16 PolarHBondContact O-N 2.91Å; L16-N20 VanDerWaalsContact O-CB 3.24Å; L16-N20 WeakPolarHBondContact O-CB 3.4Å; L16-N20 VanDerWaalsContact O-CG 3.27Å; L16-N20 PolarHBondContact O-N 3.21Å; L16-N20 PolarHBondContact O-ND2 3.37Å |
| 17 | Y | 59.8 | Low | 54 | Low | 140 Ų | 140 | 112.5 Ų | 112.5 | 55% | 0.549 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -75.4 | -34.4 | 177.6 | -163.9 | -110.7 | 0 | 0 | 0 | 112.2 | F13 Y14 N20 K21 | F13-Y17 VanDerWaalsContact O-CB 3.25Å; F13-Y17 WeakPolarHBondContact O-CB 3.06Å; F13-Y17 PolarHBondContact O-N 3.37Å; Y14-Y17 PolarHBondContact O-N 3.04Å; Y17-N20 CarbonylContact O-C 3.56Å; Y17-K21 HydrophobicContact CE1-CD 4.33Å; Y17-K21 VanDerWaalsContact CE1-CE 3.44Å; Y17-K21 WeakPolarHBondContact O-CG 3.28Å; Y17-K21 PolarHBondContact O-N 3.18Å |
| 18 | E | 51.4 | Low | 52.1 | Low | 84 Ų | 84 | 115 Ų | 115 | 39% | 0.393 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -70.3 | -41.6 | 168.3 | -79.5 | -65.7 | 118.1 | 0 | 0 | 111.9 | Y14 N20 K21 L22 | Y14-E18 HydrophobicContact CD1-CG 4.45Å; Y14-E18 HydrophobicContact CE1-CG 4.23Å; Y14-E18 PolarHBondContact O-N 3.14Å; E18-N20 VanDerWaalsContact C-N 3.34Å; E18-N20 PolarHBondContact O-N 2.82Å; E18-K21 CarbonylContact O-C 3.44Å; E18-K21 PolarHBondContact O-N 3.2Å; E18-L22 PolarHBondContact O-N 3.13Å; E18-L22 VanDerWaalsContact O-N 3.12Å |
| 19 | R | 47.4 | Very low | 50.4 | Low | 196 Ų | 196 | 115.4 Ų | 115.4 | 74% | 0.74 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.9 | -40.8 | 172.1 | -93.4 | -176.4 | 150.9 | 159.2 | -6.5 | 112.3 | L15 K21 L22 T23 | L15-R19 WeakPolarHBondContact O-CB 3.36Å; L15-R19 PolarHBondContact O-N 2.91Å; R19-K21 PolarHBondContact O-N 3.37Å; R19-L22 PolarHBondContact O-N 3.44Å; R19-L22 VanDerWaalsContact O-N 3.14Å; R19-T23 PolarHBondContact O-N 3.39Å; R19-T23 PolarHBondContact O-OG1 2.85Å |
| 20 | N | 45.6 | Very low | 48.4 | Very low | 113 Ų | 113 | 119 Ų | 119 | 60% | 0.604 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -78.1 | 15.7 | 172 | -67.4 | -24 | 0 | 0 | 0 | 113.8 | L16 Y17 E18 | L16-N20 VanDerWaalsContact O-CB 3.24Å; L16-N20 WeakPolarHBondContact O-CB 3.4Å; L16-N20 VanDerWaalsContact O-CG 3.27Å; L16-N20 PolarHBondContact O-N 3.21Å; L16-N20 PolarHBondContact O-ND2 3.37Å; Y17-N20 CarbonylContact O-C 3.56Å; E18-N20 VanDerWaalsContact C-N 3.34Å; E18-N20 PolarHBondContact O-N 2.82Å |
| 21 | K | 41.2 | Very low | 46.4 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 51% | 0.509 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -118.9 | -8.7 | 162.3 | -78.2 | -177.3 | 177 | -176.7 | 0 | 113.7 | Y17 E18 R19 | Y17-K21 HydrophobicContact CE1-CD 4.33Å; Y17-K21 VanDerWaalsContact CE1-CE 3.44Å; Y17-K21 WeakPolarHBondContact O-CG 3.28Å; Y17-K21 PolarHBondContact O-N 3.18Å; E18-K21 CarbonylContact O-C 3.44Å; E18-K21 PolarHBondContact O-N 3.2Å; R19-K21 PolarHBondContact O-N 3.37Å |
| 22 | L | 38.8 | Very low | 44.2 | Very low | 149 Ų | 149 | 121.7 Ų | 121.7 | 78% | 0.78 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -95.5 | -7.8 | 167.6 | -100.1 | 76.4 | 0 | 0 | 0 | 113.6 | E18 R19 | E18-L22 PolarHBondContact O-N 3.13Å; E18-L22 VanDerWaalsContact O-N 3.12Å; R19-L22 PolarHBondContact O-N 3.44Å; R19-L22 VanDerWaalsContact O-N 3.14Å |
| 23 | T | 34.3 | Very low | 42.6 | Very low | 88 Ų | 88 | 129.2 Ų | 129.2 | 54% | 0.54 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -120.1 | 151 | 162.2 | 50 | 0 | 0 | 0 | 0 | 109.9 | R19 | R19-T23 PolarHBondContact O-N 3.39Å; R19-T23 PolarHBondContact O-OG1 2.85Å |
| 24 | V | 32.9 | Very low | 40.9 | Very low | 135 Ų | 135 | 125.6 Ų | 125.6 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 64.9 | 53.1 | -168 | -158.2 | 0 | 0 | 0 | 0 | 114 | ||
| 25 | N | 31.4 | Very low | 39.4 | Very low | 159 Ų | 159 | 122.8 Ų | 122.8 | 85% | 0.85 | 69% | 0.687 | S | S | * | * | -149.8 | 39.1 | 126.1 | -109.1 | -22.5 | 0 | 0 | 0 | 112.9 | A27 | N25-A27 VanDerWaalsContact C-N 3.25Å; N25-A27 PolarHBondContact O-N 2.89Å | |||
| 26 | A | 30.7 | Very low | 38.4 | Very low | 93 Ų | 93 | 126.2 Ų | 126.2 | 77% | 0.769 | 69% | 0.694 | S | S | * | * | trans | -91.3 | 57.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V28 | A26-V28 PolarHBondContact O-N 2.75Š| ||
| 27 | A | 33.8 | Very low | 37.9 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 69% | 0.694 | 70% | 0.701 | S | S | * | * | trans | -80 | 70 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | N25 | N25-A27 VanDerWaalsContact C-N 3.25Å; N25-A27 PolarHBondContact O-N 2.89Å | ||
| 28 | V | 29.1 | Very low | 37.3 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | trans | -118.2 | 90.1 | 172.5 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | A26 | A26-V28 PolarHBondContact O-N 2.75Š| ||
| 29 | P | 37 | Very low | 36.6 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | trans | -64.1 | 128.4 | 142.1 | -5.7 | 24.5 | 0 | 0 | 0 | 106.8 | ||||
| 30 | L | 29.5 | Very low | 36.1 | Very low | 143 Ų | 143 | 126 Ų | 126 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | cis | 48.2 | 101.4 | 46 | -60.7 | 154 | 0 | 0 | 0 | 109 | ||||
| 31 | D | 31.2 | Very low | 35.6 | Very low | 151 Ų | 151 | 126.1 Ų | 126.1 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | cis | -135.3 | 160.1 | 44.1 | -91 | -48.5 | 0 | 0 | 0 | 116.8 | ||||
| 32 | C | 27.6 | Very low | 35.8 | Very low | 128 Ų | 128 | 126.6 Ų | 126.6 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | trans | -157.6 | 93.1 | 165.6 | -96.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 33 | K | 34.6 | Very low | 35.6 | Very low | 216 Ų | 216 | 123 Ų | 123 | 94% | 0.939 | 76% | 0.761 | S | S | * | * | trans | -170.5 | 128.5 | 158.8 | -111.7 | 170.3 | -176.8 | 179.7 | 0 | 111.4 | ||||
| 34 | G | 34.6 | Very low | 35.8 | Very low | 78 Ų | 78 | 128.1 Ų | 128.1 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 120.6 | 102.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 35 | C | 36.5 | Very low | 35.9 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | trans | -33 | 127 | 169.4 | -53 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 36 | Y | 41.2 | Very low | 36.4 | Very low | 168 Ų | 168 | 127.4 Ų | 127.4 | 66% | 0.659 | 78% | 0.777 | S | S | * | * | 41 | 152.9 | 123.3 | -111.8 | -117 | 0 | 0 | 0 | 122.1 | |||||
| 37 | P | 48.4 | Very low | 36.7 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 63% | 0.63 | 79% | 0.785 | S | S | * | * | -124.4 | -171.3 | -80.1 | 46.3 | -30.2 | 0 | 0 | 0 | 111.1 | |||||
| 38 | P | 47.2 | Very low | 37.1 | Very low | 127 Ų | 127 | 140 Ų | 140 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | -144.9 | -170.4 | 69.4 | 36.1 | -13.2 | 0 | 0 | 0 | 114.8 | |||||
| 39 | C | 34.9 | Very low | 38 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -101.8 | 157 | -159.4 | -49.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 40 | I | 37.9 | Very low | 38 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | -170.3 | 152.8 | 115.3 | -96.5 | 160.3 | 0 | 0 | 0 | 112.4 | |||||
| 41 | C | 35.1 | Very low | 39 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | trans | -79 | 174.7 | -173.3 | -68.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 42 | P | 45.3 | Very low | 39.6 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | cis | -148.1 | 134.5 | 25 | 39.1 | -16.2 | 0 | 0 | 0 | 121.1 | ||||
| 43 | G | 34.7 | Very low | 40.2 | Very low | 73 Ų | 73 | 145 Ų | 145 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | 60.1 | 125.4 | 116 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 44 | Q | 38 | Very low | 41.2 | Very low | 197 Ų | 197 | 140.6 Ų | 140.6 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | -157.4 | 118.8 | 126.1 | -116.4 | 175.6 | 77.1 | 0 | 0 | 114.8 | |||||
| 45 | K | 34.8 | Very low | 41.6 | Very low | 207 Ų | 207 | 140.2 Ų | 140.2 | 90% | 0.9 | 80% | 0.796 | S | S | * | * | trans | 24.7 | 100.4 | 147.7 | -163.3 | 174.6 | -176.1 | 178.3 | 0 | 119.6 | ||||
| 46 | G | 43.4 | Very low | 41.8 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | -80.6 | 172 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 47 | E | 36.4 | Very low | 42.1 | Very low | 199 Ų | 199 | 141.6 Ų | 141.6 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | trans | -92 | 177.6 | -168.6 | -60.5 | -173 | 119.9 | 0 | 0 | 114.8 | G49 | E47-G49 PolarHBondContact O-N 3.21Š| ||
| 48 | R | 41.8 | Very low | 41.9 | Very low | 243 Ų | 243 | 140.3 Ų | 140.3 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -68.1 | 115.7 | 179.3 | 174.4 | -172 | -73 | 172.6 | -3.7 | 110.3 | ||||
| 49 | G | 47.3 | Very low | 41.7 | Very low | 65 Ų | 65 | 143 Ų | 143 | 67% | 0.67 | 82% | 0.819 | S | S | * | * | trans | -63.8 | 150.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E47 | E47-G49 PolarHBondContact O-N 3.21Š| ||
| 50 | D | 38.3 | Very low | 42.4 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | -63.8 | 152.2 | -176.3 | -72.6 | -62.1 | 0 | 0 | 0 | 114.1 | G52 | D50-G52 PolarHBondContact O-N 3.03Š| ||
| 51 | R | 49.3 | Very low | 42.7 | Very low | 246 Ų | 246 | 138.5 Ų | 138.5 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | trans | -74 | 111.9 | 178.5 | -167.9 | -179.7 | -167 | 177 | 3.7 | 109.4 | ||||
| 52 | G | 44.3 | Very low | 43.1 | Very low | 62 Ų | 62 | 142.2 Ų | 142.2 | 64% | 0.639 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 147.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | D50 | D50-G52 PolarHBondContact O-N 3.03Š|
| 53 | F | 41.2 | Very low | 43.3 | Very low | 211 Ų | 211 | 141.4 Ų | 141.4 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 132.8 | -178.4 | -68.9 | -84.9 | 0 | 0 | 0 | 111.9 | ||
| 54 | P | 54.1 | Low | 43.8 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -59 | 141.7 | 167.3 | -21.6 | 33.4 | 0 | 0 | 0 | 110.8 | ||
| 55 | G | 42.8 | Very low | 43.9 | Very low | 70 Ų | 70 | 142 Ų | 142 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 144.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 56 | L | 41.4 | Very low | 44.2 | Very low | 173 Ų | 173 | 140.9 Ų | 140.9 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 128.9 | 173.9 | -77.9 | 162.3 | 0 | 0 | 0 | 110.2 | ||
| 57 | P | 48.5 | Very low | 44.5 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -59 | 142.3 | 169.6 | -23.7 | 34.5 | 0 | 0 | 0 | 111.2 | ||
| 58 | G | 42.6 | Very low | 45 | Very low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 148 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 59 | H | 43 | Very low | 45.1 | Very low | 183 Ų | 183 | 137.9 Ų | 137.9 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 134.5 | 178 | -32.3 | -57 | 0 | 0 | 0 | 109.9 | ||
| 60 | P | 49.3 | Very low | 45.2 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 141 | 165.2 | -22.9 | 34 | 0 | 0 | 0 | 110 | ||
| 61 | G | 44.9 | Very low | 45.7 | Very low | 68 Ų | 68 | 135.8 Ų | 135.8 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 151.8 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 62 | E | 43.4 | Very low | 45.6 | Very low | 193 Ų | 193 | 133.3 Ų | 133.3 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 130.6 | 174.9 | -65.3 | -173.9 | 126.9 | 0 | 0 | 110.2 | G64 | E62-G64 PolarHBondContact O-N 3.43Š|
| 63 | P | 49.4 | Very low | 45.8 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 126.8 | 173.2 | -26.1 | 35.1 | 0 | 0 | 0 | 110.2 | F65 | P63-F65 PolarHBondContact O-N 3.17Š|
| 64 | G | 46.6 | Very low | 45.5 | Very low | 71 Ų | 71 | 132.8 Ų | 132.8 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 135 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | E62 M66 | E62-G64 PolarHBondContact O-N 3.43Å; G64-M66 PolarHBondContact O-N 2.91Å; G64-M66 VanDerWaalsContact O-N 3.09Å |
| 65 | F | 39.5 | Very low | 44.8 | Very low | 212 Ų | 212 | 138.8 Ų | 138.8 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 120.1 | 177.4 | -76.9 | -88.2 | 0 | 0 | 0 | 110.4 | P63 G67 | P63-F65 PolarHBondContact O-N 3.17Å; F65-G67 PolarHBondContact O-N 3.46Å; F65-G67 VanDerWaalsContact O-N 3.14Å |
| 66 | M | 40.4 | Very low | 45 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 118.1 | 173.9 | -167.5 | -179.1 | -60.7 | 0 | 0 | 107.9 | G64 | G64-M66 PolarHBondContact O-N 2.91Å; G64-M66 VanDerWaalsContact O-N 3.09Å |
| 67 | G | 50.8 | Low | 44.8 | Very low | 62 Ų | 62 | 139.5 Ų | 139.5 | 64% | 0.639 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 141.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | F65 E69 | F65-G67 PolarHBondContact O-N 3.46Å; F65-G67 VanDerWaalsContact O-N 3.14Å; G67-E69 PolarHBondContact O-N 3.4Å |
| 68 | E | 46.5 | Very low | 44.3 | Very low | 197 Ų | 197 | 140.2 Ų | 140.2 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 128.2 | 176.6 | -64.9 | -175.5 | 141.1 | 0 | 0 | 110 | G70 | E68-G70 PolarHBondContact O-N 2.84Š|
| 69 | E | 43.9 | Very low | 44.1 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 118.7 | -179 | -172 | 168.8 | -152.8 | 0 | 0 | 109.6 | G67 | G67-E69 PolarHBondContact O-N 3.4Š|
| 70 | G | 48.5 | Very low | 43.7 | Very low | 57 Ų | 57 | 141.7 Ų | 141.7 | 59% | 0.588 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 140.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E68 E72 | E68-G70 PolarHBondContact O-N 2.84Å; G70-E72 PolarHBondContact O-N 3.35Å |
| 71 | P | 48.6 | Very low | 43.1 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 134.5 | -178 | 24.6 | -34.4 | 0 | 0 | 0 | 111.3 | G73 | P71-G73 PolarHBondContact O-N 3.35Š|
| 72 | E | 48.5 | Very low | 42.8 | Very low | 195 Ų | 195 | 145.1 Ų | 145.1 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 121.6 | -171.9 | -166.7 | -179.4 | -167 | 0 | 0 | 112 | G70 M74 | G70-E72 PolarHBondContact O-N 3.35Å; E72-M74 PolarHBondContact O-N 3.11Å |
| 73 | G | 47.2 | Very low | 42.2 | Very low | 68 Ų | 68 | 145.5 Ų | 145.5 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 125.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P71 R75 | P71-G73 PolarHBondContact O-N 3.35Å; G73-R75 PolarHBondContact O-N 2.85Å |
| 74 | M | 35.1 | Very low | 42 | Very low | 194 Ų | 194 | 150 Ų | 150 | 96% | 0.956 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 130.1 | 179.6 | -68.3 | -173.9 | 73.6 | 0 | 0 | 112.8 | E72 G76 | E72-M74 PolarHBondContact O-N 3.11Å; M74-G76 PolarHBondContact O-N 3.27Å |
| 75 | R | 40.3 | Very low | 41.5 | Very low | 249 Ų | 249 | 149.9 Ų | 149.9 | 94% | 0.94 | 84% | 0.838 | S | S | * | * | trans | -72.6 | 91.5 | -175.2 | -163.3 | -178.5 | -158.7 | -178.9 | 7.8 | 112.4 | G73 | G73-R75 PolarHBondContact O-N 2.85Š| ||
| 76 | G | 46.9 | Very low | 41.3 | Very low | 68 Ų | 68 | 146.3 Ų | 146.3 | 70% | 0.701 | 84% | 0.836 | S | S | * | * | trans | -68.3 | 144.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M74 | M74-G76 PolarHBondContact O-N 3.27Š| ||
| 77 | Q | 37.1 | Very low | 41.8 | Very low | 189 Ų | 189 | 142.6 Ų | 142.6 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | trans | -80.4 | 147.9 | -176 | -67.6 | 177.1 | -11.5 | 0 | 0 | 113.2 | G79 | Q77-G79 PolarHBondContact O-N 3.37Š| ||
| 78 | P | 37.5 | Very low | 41.5 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 85% | 0.851 | 84% | 0.842 | S | S | * | * | trans | -77.8 | 109.3 | 173.9 | -12.9 | 29.7 | 0 | 0 | 0 | 113.5 | ||||
| 79 | G | 38.9 | Very low | 41.2 | Very low | 72 Ų | 72 | 139.1 Ų | 139.1 | 74% | 0.742 | 84% | 0.841 | S | S | * | * | trans | 56.7 | 125.2 | 132.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | Q77 | Q77-G79 PolarHBondContact O-N 3.37Š| ||
| 80 | Q | 34.2 | Very low | 41 | Very low | 210 Ų | 210 | 139.9 Ų | 139.9 | 98% | 0.981 | 84% | 0.841 | S | S | * | * | -141.2 | 172.9 | 124.5 | -112.6 | -180 | 19.2 | 0 | 0 | 110.4 | |||||
| 81 | Q | 37 | Very low | 40.8 | Very low | 199 Ų | 199 | 140.2 Ų | 140.2 | 93% | 0.93 | 85% | 0.845 | S | S | * | * | trans | -139.2 | 145.6 | -149.6 | 172.6 | -179.3 | -17.9 | 0 | 0 | 113.7 | ||||
| 82 | G | 38.2 | Very low | 40 | Very low | 66 Ų | 66 | 145.1 Ų | 145.1 | 68% | 0.68 | 85% | 0.848 | S | S | * | * | trans | 109.8 | 140.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 83 | E | 31.4 | Very low | 39.7 | Very low | 201 Ų | 201 | 147.5 Ų | 147.5 | 94% | 0.939 | 85% | 0.848 | S | S | * | * | cis | -141.5 | -177.3 | -8.2 | -75.1 | -155.7 | 107.8 | 0 | 0 | 111.1 | ||||
| 84 | H | 44.5 | Very low | 39.7 | Very low | 202 Ų | 202 | 147.2 Ų | 147.2 | 94% | 0.935 | 85% | 0.845 | S | S | * | * | trans | -106.3 | 151.3 | -160 | -92 | 85.6 | 0 | 0 | 0 | 116.9 | ||||
| 85 | G | 36.4 | Very low | 39.7 | Very low | 69 Ų | 69 | 142.9 Ų | 142.9 | 71% | 0.711 | 84% | 0.841 | S | S | * | * | trans | 150 | 157 | 138.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 86 | P | 36.5 | Very low | 39.9 | Very low | 137 Ų | 137 | 140 Ų | 140 | 89% | 0.89 | 84% | 0.838 | S | S | * | * | cis | -120.2 | -178.8 | -19.7 | 38.8 | -24.1 | 0 | 0 | 0 | 112.6 | ||||
| 87 | A | 50.2 | Low | 39.8 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 148 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 88 | G | 43.3 | Very low | 39.8 | Very low | 77 Ų | 77 | 139.5 Ų | 139.5 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 162.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 89 | A | 40 | Very low | 40.3 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 148.9 | -168 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 90 | K | 40.5 | Very low | 40.5 | Very low | 206 Ų | 206 | 139.1 Ų | 139.1 | 90% | 0.896 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 125.7 | -176.8 | -173 | 173.9 | -175.5 | 171 | 0 | 112.1 | ||
| 91 | G | 44.8 | Very low | 40.7 | Very low | 64 Ų | 64 | 137.6 Ų | 137.6 | 66% | 0.66 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 160.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 92 | Y | 32.5 | Very low | 41.2 | Very low | 235 Ų | 235 | 137.9 Ų | 137.9 | 92% | 0.922 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 143.8 | -172.9 | -66.2 | -87.4 | 0 | 0 | 0 | 113.9 | G94 | Y92-G94 PolarHBondContact O-N 2.81Š|
| 93 | R | 41.5 | Very low | 41.5 | Very low | 244 Ų | 244 | 137.7 Ų | 137.7 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -66.8 | 114.6 | 174.9 | 172.9 | -177.8 | -78 | 174.3 | -5.3 | 110 | ||||
| 94 | G | 46.4 | Very low | 42.1 | Very low | 62 Ų | 62 | 134.9 Ų | 134.9 | 64% | 0.639 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 158.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y92 | Y92-G94 PolarHBondContact O-N 2.81Š|
| 95 | A | 36.6 | Very low | 41.8 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 146.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | G97 | A95-G97 PolarHBondContact O-N 3.38Š|
| 96 | Q | 42.9 | Very low | 42.1 | Very low | 188 Ų | 188 | 129.5 Ų | 129.5 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 119.6 | 176.8 | 177.7 | 172.8 | -26.7 | 0 | 0 | 110 | ||
| 97 | G | 45.2 | Very low | 42.2 | Very low | 61 Ų | 61 | 130.6 Ų | 130.6 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 148.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A95 | A95-G97 PolarHBondContact O-N 3.38Š|
| 98 | E | 37.1 | Very low | 41.8 | Very low | 187 Ų | 187 | 131 Ų | 131 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 145 | 176.4 | -63.5 | -173.7 | 132 | 0 | 0 | 111.4 | G100 | E98-G100 PolarHBondContact O-N 3.3Š|
| 99 | P | 49 | Very low | 41.6 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 129.4 | 173.9 | -23.3 | 34.1 | 0 | 0 | 0 | 111.3 | ||
| 100 | G | 42.6 | Very low | 41.7 | Very low | 71 Ų | 71 | 133.5 Ų | 133.5 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 143.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | E98 R102 | E98-G100 PolarHBondContact O-N 3.3Å; G100-R102 PolarHBondContact O-N 3.13Å; G100-R102 VanDerWaalsContact O-N 3.14Å |
| 101 | L | 39.2 | Very low | 41.7 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 93% | 0.927 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 120.3 | 175.7 | -80.1 | 160.4 | 0 | 0 | 0 | 110.5 | G103 | L101-G103 PolarHBondContact O-N 3.21Š|
| 102 | R | 46 | Very low | 41.4 | Very low | 205 Ų | 205 | 131.1 Ų | 131.1 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | trans | -58.6 | 114.1 | 173.8 | -173.1 | -180 | -171 | -178.9 | 2.6 | 107.7 | G100 | G100-R102 PolarHBondContact O-N 3.13Å; G100-R102 VanDerWaalsContact O-N 3.14Å | ||
| 103 | G | 45.1 | Very low | 42 | Very low | 63 Ų | 63 | 127.9 Ų | 127.9 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 142.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L101 A105 | L101-G103 PolarHBondContact O-N 3.21Å; G103-A105 PolarHBondContact O-N 2.87Å |
| 104 | T | 43.3 | Very low | 42.4 | Very low | 141 Ų | 141 | 121.9 Ų | 121.9 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 123.8 | 173.7 | 45.2 | 0 | 0 | 0 | 0 | 109 | G106 | T104-G106 PolarHBondContact O-N 3.49Š|
| 105 | A | 38.6 | Very low | 42.4 | Very low | 95 Ų | 95 | 121.8 Ų | 121.8 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -55 | 130.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | G103 I107 | G103-A105 PolarHBondContact O-N 2.87Å; A105-I107 PolarHBondContact O-N 3.21Å |
| 106 | G | 42.3 | Very low | 42.9 | Very low | 63 Ų | 63 | 123 Ų | 123 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 140.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | T104 P108 | T104-G106 PolarHBondContact O-N 3.49Å; G106-P108 VanDerWaalsContact O-CD 3.31Å; G106-P108 WeakPolarHBondContact O-CD 3.42Å |
| 107 | I | 39.6 | Very low | 43.3 | Very low | 160 Ų | 160 | 119.7 Ų | 119.7 | 82% | 0.821 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 119.2 | 178.2 | -60.1 | 171.6 | 0 | 0 | 0 | 107.1 | A105 G109 | A105-I107 PolarHBondContact O-N 3.21Å; I107-G109 PolarHBondContact O-N 3.33Å; I107-G109 VanDerWaalsContact O-N 3.09Å |
| 108 | P | 42.5 | Very low | 43.6 | Very low | 115 Ų | 115 | 119.7 Ų | 119.7 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 122.5 | 174.8 | -24.4 | 34.5 | 0 | 0 | 0 | 107.7 | G106 L110 | G106-P108 VanDerWaalsContact O-CD 3.31Å; G106-P108 WeakPolarHBondContact O-CD 3.42Å; P108-L110 PolarHBondContact O-N 2.97Å |
| 109 | G | 38.3 | Very low | 43.9 | Very low | 67 Ų | 67 | 117.1 Ų | 117.1 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 128.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | I107 I111 | I107-G109 PolarHBondContact O-N 3.33Å; I107-G109 VanDerWaalsContact O-N 3.09Å; G109-I111 PolarHBondContact O-N 3.13Å |
| 110 | L | 41.7 | Very low | 43.7 | Very low | 172 Ų | 172 | 119.8 Ų | 119.8 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | trans | -45.5 | 118.2 | -177.9 | -85.8 | 149.2 | 0 | 0 | 0 | 109.2 | P108 G112 | P108-L110 PolarHBondContact O-N 2.97Å; L110-G112 PolarHBondContact O-N 3.2Å | ||
| 111 | I | 40.4 | Very low | 43.9 | Very low | 161 Ų | 161 | 119.3 Ų | 119.3 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 116.9 | 171.4 | -65.1 | 175.5 | 0 | 0 | 0 | 105.6 | G109 L113 | G109-I111 PolarHBondContact O-N 3.13Å; I111-L113 PolarHBondContact O-N 3.32Å |
| 112 | G | 39.8 | Very low | 43.9 | Very low | 60 Ų | 60 | 118.7 Ų | 118.7 | 62% | 0.619 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 127.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L110 P114 | L110-G112 PolarHBondContact O-N 3.2Å; G112-P114 WeakPolarHBondContact O-CD 3.39Å; G112-P114 VanDerWaalsContact O-N 3.13Å |
| 113 | L | 44.6 | Very low | 44.1 | Very low | 166 Ų | 166 | 113.4 Ų | 113.4 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 123.6 | 176.2 | -77.9 | 165.4 | 0 | 0 | 0 | 108.3 | I111 G115 | I111-L113 PolarHBondContact O-N 3.32Å; L113-G115 PolarHBondContact O-N 2.86Å |
| 114 | P | 49.4 | Very low | 43.8 | Very low | 119 Ų | 119 | 113.9 Ų | 113.9 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 121.2 | 175.1 | -27.2 | 35.1 | 0 | 0 | 0 | 108.5 | G112 | G112-P114 WeakPolarHBondContact O-CD 3.39Å; G112-P114 VanDerWaalsContact O-N 3.13Å |
| 115 | G | 45.7 | Very low | 43.6 | Very low | 59 Ų | 59 | 111.4 Ų | 111.4 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 139.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L113 S117 | L113-G115 PolarHBondContact O-N 2.86Å; G115-S117 PolarHBondContact O-N 2.78Å |
| 116 | P | 47.2 | Very low | 44 | Very low | 130 Ų | 130 | 114.2 Ų | 114.2 | 84% | 0.844 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 121 | -177.4 | 23.2 | -33.5 | 0 | 0 | 0 | 108.9 | G118 | P116-G118 PolarHBondContact O-N 2.99Š|
| 117 | S | 51.9 | Low | 44 | Very low | 118 Ų | 118 | 114.3 Ų | 114.3 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 126.7 | -178.8 | -55.1 | 0 | 0 | 0 | 0 | 109.4 | G115 | G115-S117 PolarHBondContact O-N 2.78Š|
| 118 | G | 51.1 | Low | 43.9 | Very low | 60 Ų | 60 | 113.6 Ų | 113.6 | 62% | 0.619 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 145 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | P116 Q120 | P116-G118 PolarHBondContact O-N 2.99Å; G118-Q120 PolarHBondContact O-N 3.21Å; G118-Q120 VanDerWaalsContact O-N 3.17Å |
| 119 | P | 43.8 | Very low | 43.8 | Very low | 133 Ų | 133 | 115.5 Ų | 115.5 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 126 | -177 | 22.7 | -33.5 | 0 | 0 | 0 | 109.9 | G121 | P119-G121 PolarHBondContact O-N 2.82Š|
| 120 | Q | 45.8 | Very low | 43.7 | Very low | 180 Ų | 180 | 116 Ų | 116 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -59 | 123.5 | -172.5 | -167.6 | 172.2 | 21.7 | 0 | 0 | 109.9 | G118 I122 | G118-Q120 PolarHBondContact O-N 3.21Å; G118-Q120 VanDerWaalsContact O-N 3.17Å; Q120-I122 PolarHBondContact O-N 3.32Å |
| 121 | G | 46.2 | Very low | 43.6 | Very low | 62 Ų | 62 | 119.6 Ų | 119.6 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 135.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P119 P123 | P119-G121 PolarHBondContact O-N 2.82Å; G121-P123 VanDerWaalsContact O-CD 3.27Å; G121-P123 WeakPolarHBondContact O-CD 3.31Å; G121-P123 VanDerWaalsContact O-N 3.17Å |
| 122 | I | 39.4 | Very low | 43.6 | Very low | 164 Ų | 164 | 117.7 Ų | 117.7 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 117.9 | -172.6 | -54 | 174.2 | 0 | 0 | 0 | 109.5 | Q120 G124 | Q120-I122 PolarHBondContact O-N 3.32Å; I122-G124 PolarHBondContact O-N 3.19Å |
| 123 | P | 49.7 | Very low | 43.6 | Very low | 94 Ų | 94 | 117.8 Ų | 117.8 | 61% | 0.61 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 122.8 | 179.1 | -20.6 | 33.6 | 0 | 0 | 0 | 111.3 | G121 | G121-P123 VanDerWaalsContact O-CD 3.27Å; G121-P123 WeakPolarHBondContact O-CD 3.31Å; G121-P123 VanDerWaalsContact O-N 3.17Å |
| 124 | G | 39.5 | Very low | 43.5 | Very low | 73 Ų | 73 | 117.8 Ų | 117.8 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 121 | 167 | 0 | 0 | 0 | 0 | 0 | 110.2 | I122 | I122-G124 PolarHBondContact O-N 3.19Š|
| 125 | C | 38.1 | Very low | 43.2 | Very low | 89 Ų | 89 | 117.7 Ų | 117.7 | 60% | 0.601 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 131.4 | -176.6 | -61.2 | 0 | 0 | 0 | 0 | 113 | ||
| 126 | N | 47.3 | Very low | 42.9 | Very low | 153 Ų | 153 | 118.4 Ų | 118.4 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 33 | 142.4 | 144.1 | -55.1 | 12.8 | 0 | 0 | 0 | 120.9 | ||||
| 127 | G | 41.8 | Very low | 42.7 | Very low | 65 Ų | 65 | 121.9 Ų | 121.9 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | cis | 152.5 | 176.9 | -2.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 128 | T | 38.1 | Very low | 42.3 | Very low | 145 Ų | 145 | 122 Ų | 122 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | -147.9 | 140.4 | 156.9 | 42.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 129 | D | 40 | Very low | 41.6 | Very low | 156 Ų | 156 | 122.8 Ų | 122.8 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -115.2 | 155.9 | -166.4 | -56.5 | -51.5 | 0 | 0 | 0 | 113.9 | ||||
| 130 | G | 35.9 | Very low | 41.3 | Very low | 77 Ų | 77 | 125 Ų | 125 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | 113.5 | 137.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 131 | R | 39.7 | Very low | 40.8 | Very low | 247 Ų | 247 | 121.9 Ų | 121.9 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | cis | -130.9 | 166.2 | 11.4 | -66.8 | -177.2 | 175.7 | -157.3 | -1.5 | 112.1 | ||||
| 132 | P | 40.3 | Very low | 40.5 | Very low | 122 Ų | 122 | 122.7 Ų | 122.7 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -89.5 | 139.3 | -172.2 | -3.7 | 23.4 | 0 | 0 | 0 | 114.9 | ||||
| 133 | G | 41.1 | Very low | 40.7 | Very low | 62 Ų | 62 | 118.3 Ų | 118.3 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | trans | 89.5 | 123 | 130.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 134 | L | 41.4 | Very low | 40.1 | Very low | 165 Ų | 165 | 124.9 Ų | 124.9 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -139.4 | 142.5 | 140.6 | -98.8 | 172.3 | 0 | 0 | 0 | 108.2 | ||||
| 135 | P | 43.6 | Very low | 40.1 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 157.5 | -178.5 | -21.7 | 34.6 | 0 | 0 | 0 | 114.1 | ||
| 136 | G | 39.3 | Very low | 40.1 | Very low | 74 Ų | 74 | 124.6 Ų | 124.6 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 155.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 137 | F | 43.8 | Very low | 40.3 | Very low | 203 Ų | 203 | 122.4 Ų | 122.4 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 133.7 | 170.2 | -74.7 | -86.8 | 0 | 0 | 0 | 111 | ||
| 138 | P | 42.7 | Very low | 40.3 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 146.7 | 162.4 | -23.7 | 35.1 | 0 | 0 | 0 | 111.2 | ||
| 139 | G | 35.5 | Very low | 40.1 | Very low | 77 Ų | 77 | 116.9 Ų | 116.9 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 146.8 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 140 | L | 38.2 | Very low | 40.4 | Very low | 178 Ų | 178 | 117.1 Ų | 117.1 | 93% | 0.932 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 131.2 | 160.9 | -78.8 | 168.4 | 0 | 0 | 0 | 109.5 | G142 | L140-G142 PolarHBondContact O-N 3.37Š|
| 141 | S | 36.1 | Very low | 40.6 | Very low | 116 Ų | 116 | 116.2 Ų | 116.2 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 125.6 | -177.7 | -52.1 | 0 | 0 | 0 | 0 | 112 | G143 | S141-G143 PolarHBondContact O-N 3.44Å; S141-G143 VanDerWaalsContact O-N 3.15Å |
| 142 | G | 39.9 | Very low | 40.5 | Very low | 79 Ų | 79 | 108.9 Ų | 108.9 | 81% | 0.814 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 119.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | L140 | L140-G142 PolarHBondContact O-N 3.37Š|
| 143 | G | 42.8 | Very low | 40.4 | Very low | 72 Ų | 72 | 112.6 Ų | 112.6 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 143.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S141 G145 | S141-G143 PolarHBondContact O-N 3.44Å; S141-G143 VanDerWaalsContact O-N 3.15Å; G143-G145 PolarHBondContact O-N 3.46Å |
| 144 | R | 37.9 | Very low | 40.3 | Very low | 231 Ų | 231 | 112.3 Ų | 112.3 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | trans | -64.4 | 95.2 | 173.3 | -174.9 | -174.1 | -169 | -176.9 | 4.7 | 109.4 | A146 | R144-A146 PolarHBondContact O-N 2.99Š| ||
| 145 | G | 39.8 | Very low | 40.4 | Very low | 65 Ų | 65 | 109.3 Ų | 109.3 | 67% | 0.67 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 133.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | G143 | G143-G145 PolarHBondContact O-N 3.46Š|
| 146 | A | 38.1 | Very low | 40.1 | Very low | 92 Ų | 92 | 114.8 Ų | 114.8 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -64 | 139.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | R144 G148 | R144-A146 PolarHBondContact O-N 2.99Å; A146-G148 PolarHBondContact O-N 3.12Å |
| 147 | P | 51 | Low | 39.9 | Very low | 107 Ų | 107 | 113.8 Ų | 113.8 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 123.9 | 161.1 | -21.4 | 33.3 | 0 | 0 | 0 | 109.1 | ||
| 148 | G | 41.4 | Very low | 39.3 | Very low | 38 Ų | 38 | 111.6 Ų | 111.6 | 39% | 0.392 | 73% | 0.725 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 140.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | A146 | A146-G148 PolarHBondContact O-N 3.12Š|
| 149 | A | 33.1 | Very low | 38.9 | Very low | 56 Ų | 56 | 110.3 Ų | 110.3 | 46% | 0.463 | 72% | 0.724 | S | S | . | * | P | Polyproline II helix | trans | -69 | 132.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I847 | A149-I847 HydrophobicContact CB-CD1 4.12Š|
| 150 | D | 46.6 | Very low | 38.9 | Very low | 160 Ų | 160 | 109.9 Ų | 109.9 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 136.8 | 154.1 | -77.6 | -46.6 | 0 | 0 | 0 | 109.2 | ||
| 151 | G | 41.5 | Very low | 38.8 | Very low | 59 Ų | 59 | 109.4 Ų | 109.4 | 61% | 0.608 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 145.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 152 | P | 37.6 | Very low | 38.6 | Very low | 92 Ų | 92 | 107.4 Ų | 107.4 | 60% | 0.597 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 145.5 | -169.8 | 32.8 | -35.7 | 0 | 0 | 0 | 113.2 | P848 | P152-P848 HydrophobicContact CG-CB 4.5Š|
| 153 | E | 36.6 | Very low | 38.2 | Very low | 201 Ų | 201 | 106.3 Ų | 106.3 | 94% | 0.939 | 71% | 0.705 | S | S | * | * | trans | -122.6 | 151.2 | 145.5 | -173.4 | 163.9 | -124.4 | 0 | 0 | 109.3 | ||||
| 154 | G | 39.6 | Very low | 37.7 | Very low | 55 Ų | 55 | 110 Ų | 110 | 57% | 0.567 | 71% | 0.706 | S | S | * | * | trans | 158.1 | 176.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 155 | P | 43.2 | Very low | 37.7 | Very low | 102 Ų | 102 | 105.8 Ų | 105.8 | 66% | 0.662 | 70% | 0.7 | S | S | * | * | cis | -132.9 | -153.3 | 14.2 | 43.5 | -26.5 | 0 | 0 | 0 | 113.2 | ||||
| 156 | R | 38 | Very low | 37.9 | Very low | 233 Ų | 233 | 108.5 Ų | 108.5 | 88% | 0.879 | 71% | 0.71 | S | S | * | * | trans | 77.5 | 131.3 | 174.1 | -114.5 | -179.7 | 178.5 | 158.2 | 0.8 | 114.9 | ||||
| 157 | G | 35 | Very low | 38.1 | Very low | 52 Ų | 52 | 111.6 Ų | 111.6 | 54% | 0.536 | 72% | 0.719 | S | S | . | * | cis | 97.7 | 134.8 | 9.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 158 | D | 30.8 | Very low | 37.8 | Very low | 158 Ų | 158 | 109.8 Ų | 109.8 | 85% | 0.845 | 72% | 0.719 | S | S | * | * | cis | -141.2 | -166.6 | 2.6 | -50.9 | -65.7 | 0 | 0 | 0 | 107.2 | ||||
| 159 | A | 35.2 | Very low | 37.7 | Very low | 94 Ų | 94 | 114.6 Ų | 114.6 | 78% | 0.777 | 74% | 0.74 | S | S | * | * | cis | -158.8 | 162.2 | -0.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 160 | G | 34.5 | Very low | 38.1 | Very low | 68 Ų | 68 | 117.2 Ų | 117.2 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | 73.3 | 166.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 161 | D | 35.7 | Very low | 37.9 | Very low | 167 Ų | 167 | 113.1 Ų | 113.1 | 89% | 0.893 | 74% | 0.737 | S | S | * | * | cis | -155.7 | 164.8 | -12.5 | -126.4 | -45 | 0 | 0 | 0 | 113.5 | ||||
| 162 | G | 32.6 | Very low | 37.6 | Very low | 75 Ų | 75 | 117.1 Ų | 117.1 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -145.7 | 14.1 | -164.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 163 | G | 30.7 | Very low | 38.1 | Very low | 55 Ų | 55 | 124 Ų | 124 | 57% | 0.567 | 75% | 0.754 | S | S | * | * | trans | -144.3 | 132.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 164 | I | 34 | Very low | 38.4 | Very low | 150 Ų | 150 | 118 Ų | 118 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | 67.1 | 102.6 | 73.2 | -69.3 | 175.3 | 0 | 0 | 0 | 109.6 | |||||
| 165 | N | 36.9 | Very low | 38.3 | Very low | 142 Ų | 142 | 123.9 Ų | 123.9 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | cis | -150.9 | 152.7 | 9.7 | -65.3 | -61.6 | 0 | 0 | 0 | 113 | ||||
| 166 | S | 44.2 | Very low | 38.6 | Very low | 123 Ų | 123 | 125.4 Ų | 125.4 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -178.6 | 155.8 | 131.3 | 37.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 167 | V | 42 | Very low | 38.6 | Very low | 157 Ų | 157 | 117.9 Ų | 117.9 | 95% | 0.952 | 76% | 0.763 | S | S | * | * | trans | -133.5 | 130.5 | -176.1 | 178.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 168 | G | 44.9 | Very low | 38.9 | Very low | 68 Ų | 68 | 124.2 Ų | 124.2 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | -173.5 | 83.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | K170 | G168-K170 PolarHBondContact O-N 3.28Š| ||
| 169 | V | 39.3 | Very low | 39.7 | Very low | 139 Ų | 139 | 122.6 Ų | 122.6 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | trans | 26.2 | 92.4 | 144.2 | -169.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 170 | K | 42 | Very low | 40.2 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 48% | 0.483 | 77% | 0.77 | S | S | . | * | 74.6 | 109.8 | 88.2 | -175.8 | 175.5 | -178.8 | 159.5 | 0 | 116.2 | G168 | G168-K170 PolarHBondContact O-N 3.28Š| |||
| 171 | G | 42.2 | Very low | 40.3 | Very low | 74 Ų | 74 | 127.5 Ų | 127.5 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | -144 | 162.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 172 | E | 34.5 | Very low | 40.7 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 67% | 0.673 | 77% | 0.77 | S | S | * | * | trans | -106.4 | 135.6 | -163.3 | -68.2 | 176 | -165.9 | 0 | 0 | 114.7 | R1210 | E172-R1210 IonicContact OE1-CZ 2.8Å; E172-R1210 IonicContact OE1-NH1 2.83Å; E172-R1210 IonicContact OE1-NH2 3.26Å; E172-R1210 PolarHBondContact OE1-NH2 2.91Å | ||
| 173 | R | 49.1 | Very low | 41.2 | Very low | 237 Ų | 237 | 125.9 Ų | 125.9 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | trans | 33.5 | 90.4 | 166.7 | -168.6 | 177.7 | -73.5 | -172.6 | -2.3 | 117.9 | ||||
| 174 | G | 42.5 | Very low | 41.5 | Very low | 74 Ų | 74 | 128.1 Ų | 128.1 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | -85.1 | 156.3 | 143.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 175 | E | 36.6 | Very low | 42.2 | Very low | 178 Ų | 178 | 124.8 Ų | 124.8 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -86.7 | 166.9 | 179.7 | -71.8 | -161.7 | 130.7 | 0 | 0 | 113.4 | G177 | E175-G177 PolarHBondContact O-N 3.14Š| ||
| 176 | P | 50.5 | Low | 42.5 | Very low | 134 Ų | 134 | 121.5 Ų | 121.5 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | trans | -63.5 | 103.1 | -161.7 | -26.4 | 36.9 | 0 | 0 | 0 | 116.5 | K178 | P176-K178 PolarHBondContact O-N 3.12Š| ||
| 177 | G | 38.5 | Very low | 42.7 | Very low | 75 Ų | 75 | 123.1 Ų | 123.1 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | -89.1 | 83.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E175 | E175-G177 PolarHBondContact O-N 3.14Š| ||
| 178 | K | 40.8 | Very low | 43.1 | Very low | 185 Ų | 185 | 121.6 Ų | 121.6 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 30.3 | 119.8 | 157 | -61.8 | 178.5 | -178.6 | 176 | 0 | 119.2 | P176 G180 | P176-K178 PolarHBondContact O-N 3.12Å; K178-G180 PolarHBondContact O-N 3.38Å | ||
| 179 | P | 47.9 | Very low | 43.2 | Very low | 124 Ų | 124 | 121.9 Ų | 121.9 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | trans | -57.5 | 116.4 | 140 | -13.1 | 28.8 | 0 | 0 | 0 | 108.2 | ||||
| 180 | G | 46.1 | Very low | 43.4 | Very low | 67 Ų | 67 | 126.4 Ų | 126.4 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.1 | 130.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K178 | K178-G180 PolarHBondContact O-N 3.38Š|
| 181 | Q | 35.7 | Very low | 43.8 | Very low | 199 Ų | 199 | 127.6 Ų | 127.6 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -93.5 | 114.3 | -0.9 | -75.5 | -175.6 | -17.8 | 0 | 0 | 112.8 | G183 | Q181-G183 PolarHBondContact O-N 3.17Š|
| 182 | Q | 44.8 | Very low | 43.7 | Very low | 142 Ų | 142 | 127.6 Ų | 127.6 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | trans | -69.5 | 107.5 | 150.6 | -176.9 | 176.5 | 15.5 | 0 | 0 | 107.8 | A184 S185 | Q182-A184 PolarHBondContact O-N 3.28Å; Q182-S185 PolarHBondContact NE2-OG 3.45Å; Q182-S185 PolarHBondContact OE1-OG 2.98Å | ||
| 183 | G | 41.5 | Very low | 43.7 | Very low | 66 Ų | 66 | 127.2 Ų | 127.2 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | -66.7 | 128.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q181 | Q181-G183 PolarHBondContact O-N 3.17Š| ||
| 184 | A | 37.2 | Very low | 43.6 | Very low | 102 Ų | 102 | 125.7 Ų | 125.7 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 44.7 | 67 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117 | Q182 G186 | Q182-A184 PolarHBondContact O-N 3.28Å; A184-G186 PolarHBondContact O-N 3.31Å | ||
| 185 | S | 48.9 | Very low | 43.5 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 56% | 0.559 | 79% | 0.786 | S | S | * | * | trans | -64.2 | 96.9 | 163.8 | -63.2 | 0 | 0 | 0 | 0 | 111.4 | Q182 I187 | Q182-S185 PolarHBondContact NE2-OG 3.45Å; Q182-S185 PolarHBondContact OE1-OG 2.98Å; S185-I187 PolarHBondContact O-N 3Å | ||
| 186 | G | 43.3 | Very low | 43.3 | Very low | 73 Ų | 73 | 125.9 Ų | 125.9 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -71.4 | 103.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A184 | A184-G186 PolarHBondContact O-N 3.31Š| ||
| 187 | I | 47.9 | Very low | 42.7 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | 36.5 | 103 | 158.8 | -48.7 | 179.5 | 0 | 0 | 0 | 116.8 | S185 G189 | S185-I187 PolarHBondContact O-N 3Å; I187-G189 PolarHBondContact O-N 3.08Å | ||
| 188 | P | 52.2 | Low | 42.7 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 122.8 | 165.9 | -22 | 34.1 | 0 | 0 | 0 | 112.7 | ||
| 189 | G | 46.4 | Very low | 42.4 | Very low | 74 Ų | 74 | 128.2 Ų | 128.2 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66 | 140.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I187 | I187-G189 PolarHBondContact O-N 3.08Š|
| 190 | R | 43.1 | Very low | 41.9 | Very low | 233 Ų | 233 | 131.3 Ų | 131.3 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 149.3 | -172.3 | -68.2 | -177.9 | 175.2 | -169.6 | -1.5 | 113.4 | G192 | R190-G192 PolarHBondContact O-N 3.21Š|
| 191 | P | 51.4 | Low | 41.5 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -57.1 | 110 | 162.8 | -22.9 | 34.2 | 0 | 0 | 0 | 111.3 | ||||
| 192 | G | 38.9 | Very low | 41.5 | Very low | 75 Ų | 75 | 126.9 Ų | 126.9 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -92.6 | 106.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R190 | R190-G192 PolarHBondContact O-N 3.21Š| ||
| 193 | V | 34.7 | Very low | 41.1 | Very low | 136 Ų | 136 | 128 Ų | 128 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | 13.4 | 132.2 | 160.6 | -160.2 | 0 | 0 | 0 | 0 | 118.8 | G195 | V193-G195 VanDerWaalsContact C-N 3.32Å; V193-G195 PolarHBondContact O-N 3.39Å | ||
| 194 | K | 46.9 | Very low | 41.1 | Very low | 205 Ų | 205 | 127.5 Ų | 127.5 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -59.5 | 87.3 | 162.1 | -179.5 | -170.3 | 174.8 | -172.9 | 0 | 110.9 | ||||
| 195 | G | 40.2 | Very low | 41.3 | Very low | 64 Ų | 64 | 129.1 Ų | 129.1 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | trans | -64.2 | 156 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V193 | V193-G195 VanDerWaalsContact C-N 3.32Å; V193-G195 PolarHBondContact O-N 3.39Å | ||
| 196 | E | 32.7 | Very low | 40.7 | Very low | 191 Ų | 191 | 132.1 Ų | 132.1 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -82.5 | 163.5 | -159.1 | -63.9 | -172.6 | 107.8 | 0 | 0 | 115.5 | G198 | E196-G198 PolarHBondContact O-N 2.82Š| ||
| 197 | K | 36.9 | Very low | 40.7 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 81% | 0.809 | 79% | 0.788 | S | S | * | * | trans | -62.5 | 102.9 | 168 | 175.1 | -162.7 | 172.4 | -167.3 | 0 | 108.3 | E199 | K197-E199 PolarHBondContact O-N 3.48Š| ||
| 198 | G | 39.7 | Very low | 40.2 | Very low | 66 Ų | 66 | 130.1 Ų | 130.1 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | trans | -49.7 | 137.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E196 | E196-G198 PolarHBondContact O-N 2.82Š| ||
| 199 | E | 33.3 | Very low | 40 | Very low | 191 Ų | 191 | 133.6 Ų | 133.6 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -66.4 | 152.3 | -170.1 | -64.3 | -170.3 | 111.3 | 0 | 0 | 113.4 | K197 G201 | K197-E199 PolarHBondContact O-N 3.48Å; E199-G201 PolarHBondContact O-N 3.42Å | ||
| 200 | Q | 38.6 | Very low | 39.4 | Very low | 190 Ų | 190 | 130.7 Ų | 130.7 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | trans | -97.5 | 78.3 | -177.1 | -172.5 | 177.6 | -17.9 | 0 | 0 | 110.7 | ||||
| 201 | G | 36.4 | Very low | 38.9 | Very low | 68 Ų | 68 | 126.7 Ų | 126.7 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | 171.8 | 162.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | E199 | E199-G201 PolarHBondContact O-N 3.42Š| ||
| 202 | A | 35.7 | Very low | 38.8 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | cis | -93.3 | 149.1 | 2.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G204 | A202-G204 PolarHBondContact O-N 2.93Š|
| 203 | M | 36.9 | Very low | 38.6 | Very low | 166 Ų | 166 | 123 Ų | 123 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 118.8 | 172.4 | 173.1 | 170.8 | 58.5 | 0 | 0 | 110.4 | ||
| 204 | G | 41.7 | Very low | 38.8 | Very low | 56 Ų | 56 | 123 Ų | 123 | 58% | 0.577 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 144.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A202 Q206 | A202-G204 PolarHBondContact O-N 2.93Å; G204-Q206 PolarHBondContact O-N 2.9Å; G204-Q206 VanDerWaalsContact O-N 3.15Å |
| 205 | P | 41.5 | Very low | 38 | Very low | 135 Ų | 135 | 120.8 Ų | 120.8 | 88% | 0.877 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 119.5 | -169.4 | 22.8 | -33.4 | 0 | 0 | 0 | 111.9 | G207 | P205-G207 PolarHBondContact O-N 2.94Š|
| 206 | Q | 36.5 | Very low | 37.8 | Very low | 143 Ų | 143 | 121.3 Ų | 121.3 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | trans | -68 | 113.6 | -177.5 | -172.8 | 173.9 | 63.4 | 0 | 0 | 110.2 | G204 | G204-Q206 PolarHBondContact O-N 2.9Å; G204-Q206 VanDerWaalsContact O-N 3.15Å | ||
| 207 | G | 42.5 | Very low | 37.8 | Very low | 57 Ų | 57 | 116.8 Ų | 116.8 | 59% | 0.588 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 138.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P205 Y209 | P205-G207 PolarHBondContact O-N 2.94Å; G207-Y209 PolarHBondContact O-N 3.01Å |
| 208 | P | 37.5 | Very low | 37.6 | Very low | 131 Ų | 131 | 112.4 Ų | 112.4 | 85% | 0.851 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 136.8 | -165.8 | 24.4 | -34.5 | 0 | 0 | 0 | 112.6 | G210 | P208-G210 PolarHBondContact O-N 3.39Š|
| 209 | Y | 48.5 | Very low | 37.4 | Very low | 198 Ų | 198 | 112.7 Ų | 112.7 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -60 | 135 | 174.2 | -90.6 | -93.7 | 0 | 0 | 0 | 111.5 | G207 | G207-Y209 PolarHBondContact O-N 3.01Š|
| 210 | G | 34.6 | Very low | 37.6 | Very low | 14 Ų | 14 | 107.1 Ų | 107.1 | 14% | 0.144 | 69% | 0.689 | C | S | . | * | P | Polyproline II helix | trans | -92.6 | 141.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | P208 P1159 | P208-G210 PolarHBondContact O-N 3.39Å; G210-P1159 VanDerWaalsContact O-CG 3.3Å; G210-P1159 WeakPolarHBondContact O-CG 3.17Å |
| 211 | L | 32.5 | Very low | 37.4 | Very low | 149 Ų | 149 | 102.9 Ų | 102.9 | 78% | 0.78 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 141.1 | -174.1 | -70.6 | 170.3 | 0 | 0 | 0 | 112.4 | ||
| 212 | P | 48.1 | Very low | 37.2 | Very low | 72 Ų | 72 | 105.3 Ų | 105.3 | 47% | 0.468 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -85.4 | 137.4 | 178.7 | 33.1 | -34.9 | 0 | 0 | 0 | 113.6 | P1162 | P212-P1162 HydrophobicContact CB-CG 3.23Å; P212-P1162 HydrophobicContact CG-CG 3.57Å |
| 213 | G | 36 | Very low | 37.4 | Very low | 60 Ų | 60 | 105.1 Ų | 105.1 | 62% | 0.619 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 148.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 214 | P | 38.1 | Very low | 37.4 | Very low | 136 Ų | 136 | 100.7 Ų | 100.7 | 88% | 0.883 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 161.9 | -162.5 | 36.1 | -37.7 | 0 | 0 | 0 | 115.6 | ||
| 215 | K | 30.7 | Very low | 36.9 | Very low | 160 Ų | 160 | 107.2 Ų | 107.2 | 70% | 0.696 | 67% | 0.67 | S | S | * | * | trans | -122.3 | 131.7 | 157.9 | -167.1 | -166.2 | -179.1 | -159.6 | 0 | 109.1 | E1318 | K215-E1318 IonicContact NZ-OE1 2.76Å; K215-E1318 PolarHBondContact NZ-OE1 3.43Å; K215-E1318 IonicContact NZ-OE2 2.59Å; K215-E1318 PolarHBondContact NZ-OE2 3.45Å | ||
| 216 | G | 35.2 | Very low | 36.5 | Very low | 74 Ų | 74 | 107.5 Ų | 107.5 | 76% | 0.763 | 66% | 0.658 | S | S | * | * | trans | -72.8 | 170.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 217 | A | 33.5 | Very low | 36.3 | Very low | 97 Ų | 97 | 103.6 Ų | 103.6 | 80% | 0.802 | 66% | 0.656 | S | S | * | * | trans | -95.7 | 137.9 | -160.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 218 | M | 31.6 | Very low | 35.9 | Very low | 93 Ų | 93 | 106.1 Ų | 106.1 | 46% | 0.458 | 65% | 0.652 | S | S | . | * | trans | 65.4 | 75.2 | 133.5 | -80.1 | -140.8 | -141.5 | 0 | 0 | 122.5 | R1315 K1316 | M218-R1315 HydrophobicContact CE-CB 3.77Å; M218-R1315 WeakPolarHBondContact CE-O 3.31Å; M218-R1315 HydrophobicContact SD-CB 3.89Å; M218-K1316 VanDerWaalsContact C-NZ 3.34Å; M218-K1316 VanDerWaalsContact CG-CE 3.48Å; M218-K1316 PolarHBondContact O-NZ 3.31Å; M218-K1316 HydrophobicContact SD-CB 4.41Å; M218-K1316 VanDerWaalsContact SD-CE 3.54Å; M218-K1316 PolarHBondContact SD-NZ 3.35Å; M218-K1316 VanDerWaalsContact SD-NZ 3.38Å | ||
| 219 | G | 36.7 | Very low | 35.7 | Very low | 73 Ų | 73 | 104.6 Ų | 104.6 | 75% | 0.753 | 63% | 0.632 | S | S | * | * | trans | -77.9 | 141.8 | 150.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1316 | G219-K1316 VanDerWaalsContact C-NZ 3.33Å; G219-K1316 VanDerWaalsContact O-CD 3.29Å; G219-K1316 WeakPolarHBondContact O-CD 3.36Å; G219-K1316 WeakPolarHBondContact O-CE 3.25Å; G219-K1316 PolarHBondContact O-NZ 3.29Å | ||
| 220 | S | 37.5 | Very low | 34.9 | Very low | 73 Ų | 73 | 97.4 Ų | 97.4 | 51% | 0.51 | 62% | 0.618 | S | S | . | * | trans | -113.1 | 113.5 | -157.8 | -63.3 | 0 | 0 | 0 | 0 | 118.7 | K1316 | S220-K1316 PolarHBondContact OG-NZ 3.33Š| ||
| 221 | F | 32.8 | Very low | 34.9 | Very low | 101 Ų | 101 | 102 Ų | 102 | 44% | 0.443 | 66% | 0.656 | S | S | . | * | trans | 63.1 | 149.6 | 151.8 | -59.4 | -46.9 | 0 | 0 | 0 | 118.5 | R1315 K1316 | F221-R1315 HydrophobicContact CZ-CG 4.15Å; F221-K1316 HydrophobicContact CD1-CD 3.97Å; F221-K1316 HydrophobicContact CD1-CG 4.2Å; F221-K1316 HydrophobicContact CE1-CB 3.96Å; F221-K1316 HydrophobicContact CE1-CD 3.9Å; F221-K1316 HydrophobicContact CE1-CG 3.93Å; F221-K1316 HydrophobicContact CG-CD 4.48Å; F221-K1316 HydrophobicContact CZ-CB 4.43Å; F221-K1316 HydrophobicContact CZ-CD 4.36Å | ||
| 222 | K | 33.7 | Very low | 35.3 | Very low | 119 Ų | 119 | 99.6 Ų | 99.6 | 52% | 0.517 | 66% | 0.657 | S | S | . | * | cis | -159.9 | 156.2 | -18.7 | -126.3 | 161 | -175.7 | 146.5 | 0 | 107.9 | D1168 G1169 | K222-D1168 PolarHBondContact NZ-O 3.13Å; K222-G1169 PolarHBondContact NZ-O 3.45Å | ||
| 223 | A | 38.5 | Very low | 34.7 | Very low | 101 Ų | 101 | 99.6 Ų | 99.6 | 84% | 0.835 | 67% | 0.67 | S | S | * | * | trans | -90.9 | 161.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 224 | G | 37.4 | Very low | 34.7 | Very low | 73 Ų | 73 | 105 Ų | 105 | 75% | 0.753 | 68% | 0.683 | S | S | * | * | cis | -145.3 | -143.9 | -0.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 225 | Q | 32.3 | Very low | 35.1 | Very low | 192 Ų | 192 | 104.3 Ų | 104.3 | 90% | 0.897 | 68% | 0.679 | S | S | * | * | cis | -157.3 | 140.1 | 8 | -160.3 | -176.3 | 54.9 | 0 | 0 | 111.4 | ||||
| 226 | K | 32.9 | Very low | 35.5 | Very low | 142 Ų | 142 | 100 Ų | 100 | 62% | 0.617 | 68% | 0.68 | S | S | * | * | trans | 43 | 91.4 | 155.1 | -165.8 | 165.6 | 171 | 151.3 | 0 | 119.6 | E228 | K226-E228 VanDerWaalsContact CE-OE1 3.23Å; K226-E228 WeakPolarHBondContact CE-OE1 3.25Å; K226-E228 WeakPolarHBondContact CE-OE2 3.16Å; K226-E228 HydrophobicContact CG-CB 4.17Å; K226-E228 IonicContact NZ-OE1 2.94Å; K226-E228 PolarHBondContact NZ-OE1 2.89Å; K226-E228 IonicContact NZ-OE2 2.66Å; K226-E228 PolarHBondContact NZ-OE2 2.98Å | ||
| 227 | G | 32 | Very low | 35.3 | Very low | 60 Ų | 60 | 101.9 Ų | 101.9 | 62% | 0.619 | 68% | 0.682 | S | S | * | * | -83.2 | 160.1 | 123.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | T301 | G227-T301 WeakPolarHBondContact CA-OG1 3.07Š| |||
| 228 | E | 33.8 | Very low | 36 | Very low | 110 Ų | 110 | 103.4 Ų | 103.4 | 51% | 0.514 | 68% | 0.683 | S | S | . | * | trans | -140.6 | 156.7 | -177.5 | -169.6 | 161.8 | -106 | 0 | 0 | 115 | K226 G300 T301 | K226-E228 VanDerWaalsContact CE-OE1 3.23Å; K226-E228 WeakPolarHBondContact CE-OE1 3.25Å; K226-E228 WeakPolarHBondContact CE-OE2 3.16Å; K226-E228 HydrophobicContact CG-CB 4.17Å; K226-E228 IonicContact NZ-OE1 2.94Å; K226-E228 PolarHBondContact NZ-OE1 2.89Å; K226-E228 IonicContact NZ-OE2 2.66Å; K226-E228 PolarHBondContact NZ-OE2 2.98Å; E228-G300 CarbonylContact O-C 3.11Å; E228-G300 WeakPolarHBondContact O-CA 3.5Å; E228-T301 PolarHBondContact N-OG1 3.2Å; E228-T301 PolarHBondContact O-OG1 3.26Å | ||
| 229 | K | 32.4 | Very low | 36.2 | Very low | 99 Ų | 99 | 101.8 Ų | 101.8 | 43% | 0.43 | 69% | 0.691 | S | S | . | * | trans | 84.4 | 156 | 177.4 | -32.8 | 148.2 | 62.7 | -166 | 0 | 113.7 | D298 P299 G300 | K229-D298 VanDerWaalsContact CB-O 3.26Å; K229-D298 WeakPolarHBondContact CB-O 3.41Å; K229-D298 VanDerWaalsContact CE-C 3.48Å; K229-D298 WeakPolarHBondContact CE-O 3.34Å; K229-D298 WeakPolarHBondContact CE-OD1 3.08Å; K229-D298 WeakPolarHBondContact CE-OD2 3.47Å; K229-D298 IonicContact NZ-OD1 3.4Å; K229-D298 PolarHBondContact NZ-OD1 2.67Å; K229-D298 IonicContact NZ-OD2 3.51Å; K229-D298 PolarHBondContact NZ-OD2 3.05Å; K229-P299 WeakPolarHBondContact CE-O 3.3Å; K229-P299 PolarHBondContact NZ-O 2.9Å; K229-G300 PolarHBondContact O-N 2.89Å | ||
| 230 | G | 32.9 | Very low | 36.3 | Very low | 47 Ų | 47 | 104.3 Ų | 104.3 | 49% | 0.485 | 69% | 0.694 | S | S | . | * | trans | 101.2 | 41.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 231 | A | 34.2 | Very low | 36.6 | Very low | 112 Ų | 112 | 106.7 Ų | 106.7 | 93% | 0.926 | 71% | 0.708 | S | S | * | * | trans | -74.7 | 123.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 232 | A | 40.6 | Very low | 36.8 | Very low | 97 Ų | 97 | 105.2 Ų | 105.2 | 80% | 0.802 | 72% | 0.72 | S | S | * | * | trans | -120.4 | 133.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 233 | G | 36.9 | Very low | 36.8 | Very low | 72 Ų | 72 | 109.1 Ų | 109.1 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | trans | 47.5 | 106.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | P235 | G233-P235 WeakPolarHBondContact O-CD 3.47Š| ||
| 234 | L | 34.2 | Very low | 36.4 | Very low | 173 Ų | 173 | 107 Ų | 107 | 91% | 0.906 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 124.9 | 154.8 | -77.6 | 167.6 | 0 | 0 | 0 | 109.1 | ||
| 235 | P | 48.2 | Very low | 36 | Very low | 123 Ų | 123 | 111 Ų | 111 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 153.1 | 165.9 | -20.9 | 34.8 | 0 | 0 | 0 | 111.1 | G233 | G233-P235 WeakPolarHBondContact O-CD 3.47Š|
| 236 | G | 37.1 | Very low | 35.8 | Very low | 69 Ų | 69 | 105.5 Ų | 105.5 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 157.6 | -172 | 0 | 0 | 0 | 0 | 0 | 114.7 | P238 | G236-P238 WeakPolarHBondContact O-CD 3.37Š|
| 237 | S | 31.4 | Very low | 35.5 | Very low | 114 Ų | 114 | 103.2 Ų | 103.2 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -60 | 124.3 | 173.7 | 51 | 0 | 0 | 0 | 0 | 111.6 | G239 | S237-G239 PolarHBondContact O-N 3.12Š|
| 238 | P | 49.5 | Very low | 35.3 | Very low | 128 Ų | 128 | 107.9 Ų | 107.9 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 129.9 | 165.7 | -23.7 | 34.8 | 0 | 0 | 0 | 110.1 | G236 | G236-P238 WeakPolarHBondContact O-CD 3.37Š|
| 239 | G | 34.3 | Very low | 34.9 | Very low | 60 Ų | 60 | 109.7 Ų | 109.7 | 62% | 0.619 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 155.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | S237 P241 | S237-G239 PolarHBondContact O-N 3.12Å; G239-P241 WeakPolarHBondContact O-CD 3.41Å |
| 240 | P | 39.5 | Very low | 34.6 | Very low | 125 Ų | 125 | 111.4 Ų | 111.4 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 124.5 | 175.1 | 31.7 | -32.2 | 0 | 0 | 0 | 111.8 | ||
| 241 | P | 43.5 | Very low | 34.3 | Very low | 124 Ų | 124 | 118.2 Ų | 118.2 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 136 | 142.4 | -5.1 | 23.5 | 0 | 0 | 0 | 106.9 | G239 | G239-P241 WeakPolarHBondContact O-CD 3.41Š|
| 242 | G | 38.2 | Very low | 34.1 | Very low | 69 Ų | 69 | 116.4 Ų | 116.4 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | cis | 107.5 | 125.2 | 27 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 243 | Q | 32.6 | Very low | 33.8 | Very low | 201 Ų | 201 | 116.1 Ų | 116.1 | 94% | 0.939 | 77% | 0.773 | S | S | * | * | cis | -166.5 | 157.2 | 0.2 | -147.9 | 174.1 | 14.7 | 0 | 0 | 110.4 | ||||
| 244 | G | 30.6 | Very low | 33.9 | Very low | 58 Ų | 58 | 120.5 Ų | 120.5 | 60% | 0.598 | 77% | 0.774 | S | S | * | * | trans | 90 | 119.4 | 147.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 245 | T | 29.3 | Very low | 34.1 | Very low | 157 Ų | 157 | 120.8 Ų | 120.8 | 96% | 0.963 | 77% | 0.768 | S | S | * | * | trans | 62.7 | 156 | 154.8 | 64.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 246 | G | 28 | Very low | 33.6 | Very low | 75 Ų | 75 | 121.6 Ų | 121.6 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | cis | -160.3 | -178.5 | -3.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 247 | A | 25.2 | Very low | 33.8 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -82.2 | 140 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 248 | L | 28.3 | Very low | 33.9 | Very low | 158 Ų | 158 | 124.3 Ų | 124.3 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | 166.7 | 161.2 | 127.6 | -87.4 | 161.3 | 0 | 0 | 0 | 112.5 | |||||
| 249 | Q | 26.1 | Very low | 33.1 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | trans | 29.9 | 120.1 | 157.5 | -101.1 | 59.4 | -4.3 | 0 | 0 | 122.9 | ||||
| 250 | L | 26.5 | Very low | 33.7 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 71% | 0.707 | 77% | 0.774 | S | S | * | * | trans | 19 | 127 | 138.3 | -69.9 | 107.9 | 0 | 0 | 0 | 122.4 | ||||
| 251 | Q | 25.4 | Very low | 33.3 | Very low | 190 Ų | 190 | 129.9 Ų | 129.9 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | 58.6 | 134.5 | 136.4 | -64.1 | -179.3 | -16.6 | 0 | 0 | 122 | ||||
| 252 | G | 30.1 | Very low | 32.8 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | trans | 135.5 | 81.9 | 141.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 253 | T | 34.7 | Very low | 33.5 | Very low | 92 Ų | 92 | 135 Ų | 135 | 56% | 0.564 | 78% | 0.779 | S | S | * | * | trans | -19.3 | 156.2 | 148.5 | 52.5 | 0 | 0 | 0 | 0 | 119.8 | F1345 | T253-F1345 HydrophobicContact CG2-CE1 4.05Å; T253-F1345 HydrophobicContact CG2-CZ 4.21Å | ||
| 254 | Q | 39.2 | Very low | 33.9 | Very low | 164 Ų | 164 | 129 Ų | 129 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | cis | -169.4 | 175.9 | -4.6 | -111.2 | -173.5 | 2.4 | 0 | 0 | 113.2 | ||||
| 255 | F | 38.1 | Very low | 34 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | -36.2 | 167.8 | 176.8 | -57.6 | -82.1 | 0 | 0 | 0 | 121.7 | ||||
| 256 | V | 38.7 | Very low | 34.4 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | 178.7 | 160.7 | 96.3 | 142 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 257 | R | 40 | Very low | 34.9 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 65% | 0.653 | 78% | 0.782 | S | S | * | * | cis | 176.1 | 122.9 | -46 | 158.2 | -100.3 | 154.2 | -115.4 | 8.6 | 111 | E259 | R257-E259 IonicContact CZ-OE1 3.55Å; R257-E259 IonicContact NH1-OE1 3.24Å; R257-E259 PolarHBondContact NH1-OE1 3.34Å; R257-E259 IonicContact NH2-OE1 2.68Å; R257-E259 PolarHBondContact NH2-OE1 2.89Å | ||
| 258 | G | 34 | Very low | 35.4 | Very low | 67 Ų | 67 | 142.4 Ų | 142.4 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | 166.6 | 159 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 259 | E | 33.6 | Very low | 35.8 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | cis | -154.8 | -171.4 | -13.3 | -158.3 | 141.8 | -107.8 | 0 | 0 | 110.6 | R257 | R257-E259 IonicContact CZ-OE1 3.55Å; R257-E259 IonicContact NH1-OE1 3.24Å; R257-E259 PolarHBondContact NH1-OE1 3.34Å; R257-E259 IonicContact NH2-OE1 2.68Å; R257-E259 PolarHBondContact NH2-OE1 2.89Å | ||
| 260 | E | 45.3 | Very low | 36.4 | Very low | 196 Ų | 196 | 139.1 Ų | 139.1 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -121.2 | 151.8 | -151.7 | -178.5 | 174 | -153.2 | 0 | 0 | 117.1 | ||||
| 261 | G | 32.7 | Very low | 36.8 | Very low | 67 Ų | 67 | 139.1 Ų | 139.1 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | 142.6 | 152.9 | 163 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 262 | L | 32.9 | Very low | 37.4 | Very low | 175 Ų | 175 | 137 Ų | 137 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | cis | -149.3 | 159.3 | -14.8 | -94.2 | 172.8 | 0 | 0 | 0 | 108.1 | ||||
| 263 | P | 52.6 | Low | 38.2 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -103.6 | 150.5 | -162.6 | 37.5 | -34.8 | 0 | 0 | 0 | 116.9 | ||||
| 264 | G | 41.1 | Very low | 38.7 | Very low | 74 Ų | 74 | 138.7 Ų | 138.7 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | 142.1 | 127.7 | 140.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 265 | L | 32.9 | Very low | 38.8 | Very low | 188 Ų | 188 | 137.6 Ų | 137.6 | 98% | 0.984 | 80% | 0.8 | S | S | * | * | -164.6 | 172 | 127.6 | -105 | 177.7 | 0 | 0 | 0 | 110.4 | |||||
| 266 | K | 37 | Very low | 39.4 | Very low | 207 Ų | 207 | 132.4 Ų | 132.4 | 90% | 0.9 | 80% | 0.797 | S | S | * | * | trans | -146.3 | 128.4 | -169.8 | 175.4 | -165.3 | 171.4 | -168.1 | 0 | 112.3 | ||||
| 267 | G | 38 | Very low | 39.5 | Very low | 67 Ų | 67 | 132.1 Ų | 132.1 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | 161.7 | 150.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 268 | E | 35.2 | Very low | 39.6 | Very low | 204 Ų | 204 | 130.2 Ų | 130.2 | 95% | 0.953 | 81% | 0.805 | S | S | * | * | cis | -135.4 | -169.3 | 6.4 | -62.2 | -166.3 | 119.5 | 0 | 0 | 112.2 | ||||
| 269 | K | 37.5 | Very low | 40 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 76% | 0.757 | 81% | 0.807 | S | S | * | * | trans | -153 | 134 | -179.6 | 170.2 | -94.6 | 177.5 | -158.8 | 0 | 111.3 | D271 | K269-D271 IonicContact NZ-OD1 2.69Å; K269-D271 PolarHBondContact NZ-OD1 2.64Å | ||
| 270 | G | 38.7 | Very low | 40.1 | Very low | 63 Ų | 63 | 132.1 Ų | 132.1 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | trans | 164.6 | 149.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 271 | D | 35.6 | Very low | 40.2 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | cis | -151.6 | -169.6 | -17.8 | -100.9 | -37.2 | 0 | 0 | 0 | 110.1 | K269 | K269-D271 IonicContact NZ-OD1 2.69Å; K269-D271 PolarHBondContact NZ-OD1 2.64Å | ||
| 272 | V | 37.8 | Very low | 40.7 | Very low | 146 Ų | 146 | 128.4 Ų | 128.4 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -122.4 | 136.9 | -159.3 | 177.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 273 | G | 47.5 | Very low | 41.3 | Very low | 63 Ų | 63 | 125.9 Ų | 125.9 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | trans | 104.1 | 172.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 274 | P | 43.4 | Very low | 40.4 | Very low | 139 Ų | 139 | 127.7 Ų | 127.7 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | cis | -105.6 | -160.9 | 9.4 | 40.3 | -33.3 | 0 | 0 | 0 | 114.6 | ||||
| 275 | V | 41.8 | Very low | 40.3 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -130.1 | 133.3 | -155.3 | 174.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 276 | G | 51 | Low | 40.7 | Very low | 69 Ų | 69 | 128 Ų | 128 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 76.6 | 166.2 | 147.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 277 | P | 41.2 | Very low | 41 | Very low | 133 Ų | 133 | 124 Ų | 124 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | cis | -123.9 | -177.6 | 24.1 | 40.8 | -27.3 | 0 | 0 | 0 | 116.7 | ||||
| 278 | T | 41.4 | Very low | 40.9 | Very low | 133 Ų | 133 | 124.2 Ų | 124.2 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 139.8 | -170.1 | -44.8 | 0 | 0 | 0 | 0 | 116.1 | ||
| 279 | G | 42.6 | Very low | 40.8 | Very low | 70 Ų | 70 | 125.5 Ų | 125.5 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 155.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 280 | F | 35.4 | Very low | 41 | Very low | 206 Ų | 206 | 123.3 Ų | 123.3 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 162.9 | 177.3 | -86 | -91.6 | 0 | 0 | 0 | 112.6 | ||
| 281 | P | 48.4 | Very low | 40.9 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 162.3 | -160.6 | 38.2 | -36.3 | 0 | 0 | 0 | 115.9 | ||
| 282 | G | 43.9 | Very low | 40.8 | Very low | 66 Ų | 66 | 125.3 Ų | 125.3 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | trans | -134.7 | 124.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 283 | T | 43.9 | Very low | 40.7 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | 87.6 | 77.6 | 60.9 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 284 | D | 33.7 | Very low | 40.3 | Very low | 163 Ų | 163 | 128.7 Ų | 128.7 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | 60.1 | 116.6 | 126.8 | -49 | -26.7 | 0 | 0 | 0 | 121.9 | |||||
| 285 | G | 39.4 | Very low | 40 | Very low | 69 Ų | 69 | 128.2 Ų | 128.2 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | -154.6 | 128.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | P287 | G285-P287 WeakPolarHBondContact O-CD 3.24Š| ||
| 286 | E | 42.3 | Very low | 39.7 | Very low | 200 Ų | 200 | 129.9 Ų | 129.9 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 128.5 | -150.5 | -61.7 | -170.7 | 109.9 | 0 | 0 | 117.2 | ||
| 287 | P | 42.2 | Very low | 39.1 | Very low | 122 Ų | 122 | 130 Ų | 130 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 135 | 159.1 | -6.1 | 26.6 | 0 | 0 | 0 | 111.7 | G285 | G285-P287 WeakPolarHBondContact O-CD 3.24Š|
| 288 | G | 37.3 | Very low | 38.6 | Very low | 73 Ų | 73 | 128.7 Ų | 128.7 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70 | 141.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 289 | Y | 32.2 | Very low | 38.5 | Very low | 231 Ų | 231 | 125.4 Ų | 125.4 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | trans | 43.3 | 85.8 | 159.2 | -69.6 | -71.9 | 0 | 0 | 0 | 120.3 | G291 | Y289-G291 PolarHBondContact O-N 3.07Š| ||
| 290 | P | 41 | Very low | 38.3 | Very low | 127 Ų | 127 | 123.4 Ų | 123.4 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | -74 | 116.4 | 158.5 | -11.5 | 28.3 | 0 | 0 | 0 | 112.1 | L292 | P290-L292 PolarHBondContact O-N 3.24Š| ||
| 291 | G | 37 | Very low | 38.2 | Very low | 81 Ų | 81 | 118.3 Ų | 118.3 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | trans | -78.1 | 106.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y289 | Y289-G291 PolarHBondContact O-N 3.07Š| ||
| 292 | L | 34 | Very low | 37.5 | Very low | 158 Ų | 158 | 118.8 Ų | 118.8 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | trans | 39 | 94.3 | 163.2 | -70.5 | 171.8 | 0 | 0 | 0 | 118.2 | P290 G294 | P290-L292 PolarHBondContact O-N 3.24Å; L292-G294 PolarHBondContact O-N 3.07Å | ||
| 293 | K | 36.3 | Very low | 37.5 | Very low | 214 Ų | 214 | 119.2 Ų | 119.2 | 93% | 0.93 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 118.6 | 172.9 | -178 | -177.2 | -174.1 | 175.2 | 0 | 112.9 | ||
| 294 | G | 39.1 | Very low | 37 | Very low | 66 Ų | 66 | 123 Ų | 123 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 151.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L292 | L292-G294 PolarHBondContact O-N 3.07Š|
| 295 | S | 35.8 | Very low | 37 | Very low | 130 Ų | 130 | 123.7 Ų | 123.7 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 146.2 | 178.2 | 48.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 296 | K | 36.9 | Very low | 36.9 | Very low | 175 Ų | 175 | 123.6 Ų | 123.6 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 125.5 | -153.8 | -173.4 | 179.4 | -179.7 | -177.4 | 0 | 113.7 | D298 | K296-D298 PolarHBondContact O-N 3.25Š|
| 297 | G | 36.4 | Very low | 36.4 | Very low | 71 Ų | 71 | 123.4 Ų | 123.4 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | trans | -67.6 | 80.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 298 | D | 31 | Very low | 36 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 57% | 0.567 | 75% | 0.753 | S | S | * | * | trans | 9.6 | 109 | 148.1 | -160 | 12 | 0 | 0 | 0 | 117.4 | K229 K296 | K229-D298 VanDerWaalsContact CB-O 3.26Å; K229-D298 WeakPolarHBondContact CB-O 3.41Å; K229-D298 VanDerWaalsContact CE-C 3.48Å; K229-D298 WeakPolarHBondContact CE-O 3.34Å; K229-D298 WeakPolarHBondContact CE-OD1 3.08Å; K229-D298 WeakPolarHBondContact CE-OD2 3.47Å; K229-D298 IonicContact NZ-OD1 3.4Å; K229-D298 PolarHBondContact NZ-OD1 2.67Å; K229-D298 IonicContact NZ-OD2 3.51Å; K229-D298 PolarHBondContact NZ-OD2 3.05Å; K296-D298 PolarHBondContact O-N 3.25Å | ||
| 299 | P | 39.7 | Very low | 36.1 | Very low | 65 Ų | 65 | 126.6 Ų | 126.6 | 42% | 0.422 | 75% | 0.745 | S | S | . | * | trans | -86 | 166.1 | 177.1 | -15.7 | 33.5 | 0 | 0 | 0 | 116 | K229 | K229-P299 WeakPolarHBondContact CE-O 3.3Å; K229-P299 PolarHBondContact NZ-O 2.9Å | ||
| 300 | G | 38.4 | Very low | 36.2 | Very low | 28 Ų | 28 | 124 Ų | 124 | 29% | 0.289 | 74% | 0.738 | S | S | . | * | trans | -172.2 | 157 | -169.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | E228 K229 | E228-G300 CarbonylContact O-C 3.11Å; E228-G300 WeakPolarHBondContact O-CA 3.5Å; K229-G300 PolarHBondContact O-N 2.89Å | ||
| 301 | T | 33.4 | Very low | 35.9 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 60% | 0.601 | 73% | 0.734 | S | S | * | * | trans | 44.4 | 76.2 | 177.6 | 63.1 | 0 | 0 | 0 | 0 | 115.9 | G227 E228 | G227-T301 WeakPolarHBondContact CA-OG1 3.07Å; E228-T301 PolarHBondContact N-OG1 3.2Å; E228-T301 PolarHBondContact O-OG1 3.26Å | ||
| 302 | C | 35 | Very low | 35.8 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 87% | 0.865 | 73% | 0.727 | S | S | * | * | trans | -61.6 | 159.5 | 143.4 | -165.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 303 | G | 43.6 | Very low | 35.9 | Very low | 75 Ų | 75 | 123.9 Ų | 123.9 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | -67.3 | 168.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 304 | K | 32.4 | Very low | 36 | Very low | 202 Ų | 202 | 125.4 Ų | 125.4 | 88% | 0.878 | 73% | 0.734 | S | S | * | * | trans | -113.7 | 129.7 | -177.7 | -57.2 | 172.5 | -175.9 | 172.5 | 0 | 111.8 | ||||
| 305 | L | 33.8 | Very low | 35.8 | Very low | 178 Ų | 178 | 125.2 Ų | 125.2 | 93% | 0.932 | 73% | 0.732 | S | S | * | * | trans | -167.4 | 141.4 | 141 | -133.5 | 65.2 | 0 | 0 | 0 | 109 | ||||
| 306 | G | 38.1 | Very low | 35.8 | Very low | 67 Ų | 67 | 126.2 Ų | 126.2 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | cis | -168.9 | -177.1 | -5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 307 | K | 31 | Very low | 35.8 | Very low | 197 Ų | 197 | 126.5 Ų | 126.5 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | trans | -136.9 | 149.8 | 163 | -61.9 | -174.7 | 179.9 | -175.6 | 0 | 105.2 | ||||
| 308 | R | 33.5 | Very low | 35.9 | Very low | 205 Ų | 205 | 126 Ų | 126 | 77% | 0.774 | 73% | 0.725 | S | S | * | * | cis | -156.6 | 168.5 | 28.4 | -165.3 | 172.9 | -164.3 | -172.9 | 6.8 | 105.3 | H1177 | R308-H1177 PolarHBondContact O-CD2 3.31Å; R308-H1177 PolarHBondContact O-NE2 3.06Å | ||
| 309 | G | 39.8 | Very low | 36.1 | Very low | 57 Ų | 57 | 128.3 Ų | 128.3 | 59% | 0.588 | 74% | 0.743 | S | S | * | * | cis | 158.8 | -142.5 | -3.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 310 | K | 33.8 | Very low | 36 | Very low | 177 Ų | 177 | 135.3 Ų | 135.3 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | 85.6 | 151.9 | -179.1 | -59.4 | -166.8 | 154.7 | -158.5 | 0 | 116 | ||||
| 311 | D | 35.7 | Very low | 36.2 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | cis | -162.9 | 161.6 | -24 | -90.9 | -24.7 | 0 | 0 | 0 | 105 | ||||
| 312 | G | 35.3 | Very low | 36.5 | Very low | 67 Ų | 67 | 140.6 Ų | 140.6 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | cis | 153.1 | 85.1 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 313 | T | 35.1 | Very low | 36.8 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 98% | 0.975 | 80% | 0.795 | S | S | * | * | trans | -68.7 | 130.7 | -172.8 | 46.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 314 | R | 37.6 | Very low | 36.5 | Very low | 246 Ų | 246 | 143.8 Ų | 143.8 | 93% | 0.928 | 79% | 0.787 | S | S | * | * | trans | -136.6 | 146.1 | -179 | 173.6 | -172.6 | -178.9 | -170.7 | 1.2 | 107.1 | ||||
| 315 | G | 35.2 | Very low | 36.6 | Very low | 61 Ų | 61 | 142.2 Ų | 142.2 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | cis | 152.1 | 155.6 | -0.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 316 | L | 35.7 | Very low | 36.9 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | -150.8 | 157.9 | -177 | -69.2 | 175.1 | 0 | 0 | 0 | 109.4 | ||||
| 317 | H | 36.5 | Very low | 37 | Very low | 180 Ų | 180 | 138.7 Ų | 138.7 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | cis | -118.8 | -110.9 | -4 | -65.4 | 95.1 | 0 | 0 | 0 | 110.3 | ||||
| 318 | G | 39.8 | Very low | 37.1 | Very low | 61 Ų | 61 | 137.5 Ų | 137.5 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | trans | -148.1 | -169.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 319 | T | 35.4 | Very low | 37.3 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 95% | 0.945 | 79% | 0.788 | S | S | * | * | cis | -153.7 | 174.9 | 1.6 | -18.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 320 | K | 37.7 | Very low | 37 | Very low | 212 Ų | 212 | 134.5 Ų | 134.5 | 92% | 0.922 | 80% | 0.798 | S | S | * | * | trans | -84.8 | 138.4 | -176.1 | 174.7 | -172.7 | 174.3 | -170.4 | 0 | 112 | ||||
| 321 | G | 42.8 | Very low | 37.4 | Very low | 58 Ų | 58 | 134.4 Ų | 134.4 | 60% | 0.598 | 81% | 0.805 | S | S | * | * | trans | -152 | 170.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 322 | E | 39.7 | Very low | 37.4 | Very low | 179 Ų | 179 | 134 Ų | 134 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -58.7 | 150.2 | -179.1 | -62.2 | 77 | -164.9 | 0 | 0 | 112.2 | ||||
| 323 | K | 40.8 | Very low | 37.4 | Very low | 211 Ų | 211 | 134.3 Ų | 134.3 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | cis | 67.2 | 56.2 | 31.7 | -152 | -160.3 | 173 | -173.7 | 0 | 115.7 | ||||
| 324 | G | 36.6 | Very low | 37.9 | Very low | 59 Ų | 59 | 132.3 Ų | 132.3 | 61% | 0.608 | 81% | 0.805 | S | S | * | * | trans | -128.7 | 159.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 325 | D | 35.5 | Very low | 38 | Very low | 170 Ų | 170 | 126.7 Ų | 126.7 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | cis | -133.5 | 157.7 | 0.2 | -78.6 | -50.4 | 0 | 0 | 0 | 113.1 | ||||
| 326 | A | 38.5 | Very low | 38.3 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -77 | 152.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 327 | G | 40.8 | Very low | 38.2 | Very low | 70 Ų | 70 | 129.7 Ų | 129.7 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | trans | -82.6 | -173.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 328 | L | 32.8 | Very low | 38.4 | Very low | 172 Ų | 172 | 129.4 Ų | 129.4 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | -176.3 | 160.4 | 158.6 | -94.1 | 165.6 | 0 | 0 | 0 | 106.1 | ||||
| 329 | P | 38.4 | Very low | 38.5 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | -132.9 | 179.9 | -55.7 | 36.6 | -19.9 | 0 | 0 | 0 | 113 | |||||
| 330 | G | 33.7 | Very low | 38.6 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 121.5 | 127 | 149.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 331 | L | 42.2 | Very low | 38.8 | Very low | 175 Ų | 175 | 126.8 Ų | 126.8 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -89.8 | 171.8 | 160.6 | -70.2 | 131.5 | 0 | 0 | 0 | 108.9 | ||||
| 332 | P | 35.5 | Very low | 38.8 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | cis | -128.2 | -168.8 | 16.4 | 42.8 | -25.2 | 0 | 0 | 0 | 113 | ||||
| 333 | G | 34.3 | Very low | 38.9 | Very low | 73 Ų | 73 | 123.5 Ų | 123.5 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | cis | 167.6 | 151.2 | -8.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 334 | S | 47.3 | Very low | 38.9 | Very low | 116 Ų | 116 | 119.4 Ų | 119.4 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | -92.1 | 139.7 | 179.1 | 55.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 335 | P | 39.3 | Very low | 39.1 | Very low | 128 Ų | 128 | 118.4 Ų | 118.4 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | -157 | 164.4 | 88 | 40.8 | -22.6 | 0 | 0 | 0 | 117.9 | |||||
| 336 | G | 40.2 | Very low | 39.8 | Very low | 74 Ų | 74 | 116.6 Ų | 116.6 | 76% | 0.763 | 74% | 0.74 | S | S | * | * | trans | 72.8 | 154.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 337 | E | 34.9 | Very low | 40.1 | Very low | 203 Ų | 203 | 117.8 Ų | 117.8 | 95% | 0.949 | 74% | 0.739 | S | S | * | * | cis | -143.2 | -170.4 | -4.8 | -75.3 | -157.3 | 105.3 | 0 | 0 | 111.2 | ||||
| 338 | K | 40.5 | Very low | 40.2 | Very low | 173 Ų | 173 | 118.2 Ų | 118.2 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | trans | -81.1 | 141.9 | -171.7 | -176.3 | -161.3 | -176.9 | -158.7 | 0 | 113.9 | E340 | K338-E340 WeakPolarHBondContact CE-OE1 3.12Å; K338-E340 IonicContact NZ-OE1 2.6Å; K338-E340 PolarHBondContact NZ-OE1 3.37Å | ||
| 339 | G | 41.2 | Very low | 40.8 | Very low | 72 Ų | 72 | 122 Ų | 122 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | -130.4 | 161.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 340 | E | 38.9 | Very low | 40.7 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 63% | 0.631 | 75% | 0.748 | S | S | * | * | trans | -125.2 | 143.6 | -155.3 | -54.1 | -164.7 | 129.1 | 0 | 0 | 117 | K338 | K338-E340 WeakPolarHBondContact CE-OE1 3.12Å; K338-E340 IonicContact NZ-OE1 2.6Å; K338-E340 PolarHBondContact NZ-OE1 3.37Å | ||
| 341 | I | 40.8 | Very low | 41.3 | Very low | 165 Ų | 165 | 125.7 Ų | 125.7 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | trans | 61.3 | 135.9 | 140.1 | -67.3 | 169.1 | 0 | 0 | 0 | 119.1 | ||||
| 342 | G | 43.5 | Very low | 41.2 | Very low | 54 Ų | 54 | 124 Ų | 124 | 56% | 0.557 | 74% | 0.736 | S | S | * | * | cis | -177 | -175.9 | 0.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 343 | D | 41 | Very low | 41.9 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 61% | 0.61 | 74% | 0.736 | S | S | * | * | trans | -93.3 | -177.5 | 173.9 | -117.3 | -38.9 | 0 | 0 | 0 | 110.3 | I899 | D343-I899 PolarHBondContact OD1-N 3.34Š| ||
| 344 | E | 40.3 | Very low | 42.5 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 58% | 0.584 | 73% | 0.727 | S | S | * | * | cis | -136.2 | -158.4 | 20.4 | -137.8 | -136.3 | 120.2 | 0 | 0 | 110.2 | Y346 G900 | E344-Y346 PolarHBondContact OE1-N 2.98Å; E344-G900 PolarHBondContact O-N 3.2Å; E344-G900 VanDerWaalsContact O-N 3.11Å | ||
| 345 | G | 41.2 | Very low | 41.8 | Very low | 38 Ų | 38 | 127.6 Ų | 127.6 | 39% | 0.392 | 73% | 0.73 | S | S | . | * | cis | 176.2 | -173.8 | 7.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 346 | Y | 50 | Low | 42.6 | Very low | 133 Ų | 133 | 127 Ų | 127 | 52% | 0.522 | 73% | 0.726 | S | S | . | * | trans | -98.1 | 135.3 | -175.5 | -83.9 | -74.1 | 0 | 0 | 0 | 116.1 | E344 K895 P896 | E344-Y346 PolarHBondContact OE1-N 2.98Å; Y346-K895 VanDerWaalsContact CE2-O 3.28Å; Y346-K895 WeakPolarHBondContact CE2-O 3.2Å; Y346-K895 WeakPolarHBondContact OH-CB 3.07Å; Y346-P896 WeakPolarHBondContact CE2-O 3.22Å; Y346-P896 VanDerWaalsContact CZ-O 3.3Å; Y346-P896 PolarHBondContact OH-O 3.41Å | ||
| 347 | P | 45.8 | Very low | 42.7 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | trans | -134.5 | 156.7 | 137.8 | 36 | -23.6 | 0 | 0 | 0 | 112.1 | ||||
| 348 | G | 42.1 | Very low | 43.3 | Very low | 79 Ų | 79 | 122.9 Ų | 122.9 | 81% | 0.814 | 72% | 0.715 | S | S | * | * | cis | -171.2 | 163.3 | -5.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 349 | R | 45.7 | Very low | 43.9 | Very low | 252 Ų | 252 | 121.1 Ų | 121.1 | 95% | 0.951 | 72% | 0.721 | S | S | * | * | trans | -97.5 | 146.1 | -176.9 | -73.1 | -175.1 | 174.6 | -155 | 2.4 | 113.6 | ||||
| 350 | R | 35.4 | Very low | 43.9 | Very low | 221 Ų | 221 | 121.3 Ų | 121.3 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | trans | 158.3 | 146.2 | 136.1 | -174.4 | 175.6 | -60.9 | -135.9 | 4.4 | 108.7 | ||||
| 351 | G | 47.2 | Very low | 44 | Very low | 55 Ų | 55 | 122.2 Ų | 122.2 | 57% | 0.567 | 74% | 0.737 | S | S | * | * | cis | -161.1 | -167.2 | -3.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 352 | P | 40.7 | Very low | 44.1 | Very low | 138 Ų | 138 | 119.1 Ų | 119.1 | 90% | 0.896 | 74% | 0.736 | S | S | * | * | trans | -67.1 | 138.4 | 175.3 | 29.5 | -34.2 | 0 | 0 | 0 | 110.9 | ||||
| 353 | Q | 49.2 | Very low | 44.3 | Very low | 179 Ų | 179 | 120.2 Ų | 120.2 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | trans | -84 | 126.7 | -178.6 | -179.8 | 168.7 | -3.6 | 0 | 0 | 110.6 | ||||
| 354 | G | 46.4 | Very low | 44.2 | Very low | 56 Ų | 56 | 122.4 Ų | 122.4 | 58% | 0.577 | 77% | 0.765 | S | S | * | * | trans | -83.3 | 176.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 355 | D | 34.3 | Very low | 44.4 | Very low | 161 Ų | 161 | 119.8 Ų | 119.8 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 146.8 | -166 | -59.5 | -70 | 0 | 0 | 0 | 114.7 | G357 | D355-G357 PolarHBondContact O-N 3.18Š|
| 356 | P | 56 | Low | 44.3 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 125.4 | -169.2 | -18.4 | 33 | 0 | 0 | 0 | 114.3 | ||
| 357 | G | 41.4 | Very low | 44 | Very low | 64 Ų | 64 | 127.4 Ų | 127.4 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 150 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D355 | D355-G357 PolarHBondContact O-N 3.18Š|
| 358 | P | 46.8 | Very low | 43.4 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 161.1 | -168.1 | 29.9 | -36.1 | 0 | 0 | 0 | 114.8 | ||
| 359 | P | 54.5 | Low | 43 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 140.6 | -164.4 | -14.1 | 31.3 | 0 | 0 | 0 | 115.3 | ||
| 360 | G | 40.8 | Very low | 42.6 | Very low | 76 Ų | 76 | 127.8 Ų | 127.8 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 134.8 | 170 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 361 | V | 42 | Very low | 42.7 | Very low | 154 Ų | 154 | 121.9 Ų | 121.9 | 93% | 0.933 | 81% | 0.808 | S | S | * | * | trans | -45.7 | 146.7 | -173.5 | -169 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 362 | A | 41.7 | Very low | 42.9 | Very low | 100 Ų | 100 | 125.6 Ų | 125.6 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -83.9 | 152.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 363 | G | 47.2 | Very low | 42.7 | Very low | 78 Ų | 78 | 122.6 Ų | 122.6 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -160.7 | 127.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 364 | V | 40.3 | Very low | 42.3 | Very low | 159 Ų | 159 | 122.9 Ų | 122.9 | 96% | 0.964 | 82% | 0.819 | S | S | * | * | trans | -91.1 | 140 | -170.8 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 365 | G | 44.8 | Very low | 41.8 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | trans | 172.6 | 129.3 | 161 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 366 | R | 39 | Very low | 42.2 | Very low | 264 Ų | 264 | 124.6 Ų | 124.6 | 100% | 0.996 | 82% | 0.824 | S | S | * | * | trans | -98 | 148.8 | 163.6 | -57.9 | 175.7 | -179.1 | -177.9 | -0.1 | 108.1 | ||||
| 367 | G | 42.2 | Very low | 41.8 | Very low | 67 Ų | 67 | 124.5 Ų | 124.5 | 69% | 0.691 | 82% | 0.824 | S | S | * | * | cis | 156.9 | 160.8 | -5.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 368 | M | 33.5 | Very low | 41.8 | Very low | 189 Ų | 189 | 128.7 Ų | 128.7 | 93% | 0.931 | 83% | 0.831 | S | S | * | * | trans | 66.9 | 146.9 | 176.1 | -73.1 | -166.1 | 176.5 | 0 | 0 | 117.4 | ||||
| 369 | K | 33.8 | Very low | 41.5 | Very low | 197 Ų | 197 | 125.9 Ų | 125.9 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | cis | -164.9 | 142.5 | -16.2 | -178.6 | 179 | -175.5 | -174.3 | 0 | 108.9 | ||||
| 370 | G | 38.1 | Very low | 40.7 | Very low | 77 Ų | 77 | 126.8 Ų | 126.8 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | -162.4 | 154.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 371 | A | 36.2 | Very low | 41.3 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | -120.6 | 159.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 372 | P | 51.6 | Low | 41.1 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -96.8 | 171.9 | -160.2 | 38.7 | -37.6 | 0 | 0 | 0 | 115 | ||||
| 373 | G | 37.9 | Very low | 40.9 | Very low | 74 Ų | 74 | 127.2 Ų | 127.2 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | -128 | 151.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 374 | M | 39.8 | Very low | 41 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | -82.7 | 150.3 | 161.5 | -66.3 | 156.6 | 57.4 | 0 | 0 | 107.3 | ||||
| 375 | E | 35.1 | Very low | 40.9 | Very low | 189 Ų | 189 | 128.9 Ų | 128.9 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | 175.5 | 160.2 | 74.7 | -178.1 | 160.2 | -142.1 | 0 | 0 | 106.4 | |||||
| 376 | G | 43.2 | Very low | 40.6 | Very low | 64 Ų | 64 | 135 Ų | 135 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | cis | -176.4 | -154 | 8.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 377 | P | 48 | Very low | 41.2 | Very low | 114 Ų | 114 | 131 Ų | 131 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | trans | -85.3 | 178.6 | 176.5 | 40.6 | -38.2 | 0 | 0 | 0 | 111.3 | ||||
| 378 | D | 41.6 | Very low | 41.4 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | cis | -151.7 | 175.9 | 6.5 | -142.6 | -27.1 | 0 | 0 | 0 | 110.9 | ||||
| 379 | G | 40.1 | Very low | 41.7 | Very low | 65 Ų | 65 | 126.9 Ų | 126.9 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | trans | -157.4 | 104.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 380 | L | 38.5 | Very low | 42.4 | Very low | 156 Ų | 156 | 120.5 Ų | 120.5 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | trans | -109.9 | 171.8 | 178.7 | -63 | 173.1 | 0 | 0 | 0 | 110.9 | ||||
| 381 | P | 52.1 | Low | 43 | Very low | 124 Ų | 124 | 120 Ų | 120 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | -136.1 | 166.4 | -98.7 | 29.8 | -5.9 | 0 | 0 | 0 | 118.2 | |||||
| 382 | G | 37.8 | Very low | 43.4 | Very low | 72 Ų | 72 | 122.8 Ų | 122.8 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | trans | 99.2 | 175.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 383 | P | 38.5 | Very low | 43.4 | Very low | 142 Ų | 142 | 122.2 Ų | 122.2 | 92% | 0.922 | 74% | 0.738 | S | S | * | * | cis | -110.3 | -146.4 | -4.9 | 40.7 | -28.8 | 0 | 0 | 0 | 113.1 | ||||
| 384 | K | 48.2 | Very low | 43.7 | Very low | 212 Ų | 212 | 121.7 Ų | 121.7 | 92% | 0.922 | 73% | 0.732 | S | S | * | * | trans | -137.2 | 137.9 | -155.7 | -179.2 | -177.8 | -177.9 | 177.9 | 0 | 116.2 | ||||
| 385 | G | 39.1 | Very low | 43.8 | Very low | 61 Ų | 61 | 122.7 Ų | 122.7 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | trans | 147.2 | 144.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 386 | H | 37.6 | Very low | 44.1 | Very low | 198 Ų | 198 | 120.5 Ų | 120.5 | 92% | 0.917 | 72% | 0.72 | S | S | * | * | cis | -143.2 | -179.3 | 2.9 | -76 | -94.9 | 0 | 0 | 0 | 111.6 | ||||
| 387 | R | 52.4 | Low | 44.1 | Very low | 181 Ų | 181 | 120.7 Ų | 120.7 | 68% | 0.683 | 72% | 0.723 | S | S | * | * | trans | -80.9 | 136.2 | -174.6 | -72.6 | -174.3 | 106.8 | -158 | -16.3 | 114 | N1017 P1019 | R387-N1017 PolarHBondContact NH2-O 3.03Å; R387-P1019 HydrophobicContact CB-CB 3.76Å; R387-P1019 HydrophobicContact CB-CG 3.49Å; R387-P1019 VanDerWaalsContact CB-CG 3.49Å; R387-P1019 HydrophobicContact CG-CB 4.03Å; R387-P1019 HydrophobicContact CG-CG 3.57Å | ||
| 388 | G | 47.2 | Very low | 43.5 | Very low | 41 Ų | 41 | 124.7 Ų | 124.7 | 42% | 0.423 | 73% | 0.728 | S | S | . | * | trans | -133.4 | 145.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | E1018 P1019 G1020 | G388-E1018 CarbonylContact O-C 3.45Å; G388-E1018 WeakPolarHBondContact O-CB 3.37Å; G388-P1019 VanDerWaalsContact C-CD 3.43Å; G388-P1019 WeakPolarHBondContact O-CD 3.42Å; G388-G1020 CarbonylContact C-O 3.51Å; G388-G1020 WeakPolarHBondContact CA-O 3.04Å | ||
| 389 | K | 40 | Very low | 43.5 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 56% | 0.557 | 74% | 0.735 | S | S | * | * | trans | -77.5 | 152.6 | -148.1 | -121.4 | 162.7 | -161.5 | 176.6 | 0 | 120.8 | E1018 G1020 | K389-E1018 CarbonylContact C-O 3.48Å; K389-E1018 WeakPolarHBondContact CA-O 3.4Å; K389-G1020 VanDerWaalsContact CA-N 3.31Å; K389-G1020 WeakPolarHBondContact CB-O 3.44Å; K389-G1020 PolarHBondContact N-O 2.96Å | ||
| 390 | D | 47.3 | Very low | 44.1 | Very low | 63 Ų | 63 | 129 Ų | 129 | 34% | 0.337 | 73% | 0.73 | S | S | . | * | trans | -48.5 | 123.1 | 177.2 | -102.6 | -2.8 | 0 | 0 | 0 | 113.9 | N1017 E1018 | D390-N1017 VanDerWaalsContact OD2-CA 3.23Å; D390-N1017 WeakPolarHBondContact OD2-CA 3.39Å; D390-N1017 PolarHBondContact OD2-N 3.13Å; D390-E1018 HydrophobicContact CB-CB 4.45Å; D390-E1018 VanDerWaalsContact N-C 3.32Å; D390-E1018 PolarHBondContact N-O 2.91Å; D390-E1018 WeakPolarHBondContact OD1-CA 3.05Å; D390-E1018 WeakPolarHBondContact OD1-CB 3.02Å; D390-E1018 PolarHBondContact OD1-N 3.34Å | ||
| 391 | G | 50.6 | Low | 44.6 | Very low | 67 Ų | 67 | 128.2 Ų | 128.2 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | trans | -98 | 83.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 392 | L | 46 | Very low | 44.4 | Very low | 157 Ų | 157 | 128.3 Ų | 128.3 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | 6.4 | 120.7 | 152.1 | -69.3 | 160.2 | 0 | 0 | 0 | 119 | ||||
| 393 | P | 51.6 | Low | 44.8 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | trans | -69.6 | 143.6 | 163 | -16.9 | 31.3 | 0 | 0 | 0 | 113.6 | ||||
| 394 | G | 42.5 | Very low | 45.2 | Very low | 63 Ų | 63 | 128.9 Ų | 128.9 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | trans | 175 | 174 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 395 | Y | 43.8 | Very low | 45.3 | Very low | 206 Ų | 206 | 124.2 Ų | 124.2 | 81% | 0.808 | 72% | 0.718 | S | S | * | * | cis | -172.5 | 163.9 | -12.9 | -79.1 | -48.1 | 0 | 0 | 0 | 106.1 | ||||
| 396 | I | 40.8 | Very low | 45.9 | Very low | 143 Ų | 143 | 124.6 Ų | 124.6 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | cis | -160.5 | 154.5 | -8.9 | -112.3 | 164.5 | 0 | 0 | 0 | 104.8 | K398 | I396-K398 HydrophobicContact CG2-CG 4.45Š| ||
| 397 | G | 42.1 | Very low | 46.5 | Very low | 69 Ų | 69 | 121.1 Ų | 121.1 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | cis | -164.2 | -131.2 | 6.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 398 | K | 37 | Very low | 45.9 | Very low | 198 Ų | 198 | 120.8 Ų | 120.8 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | cis | -153.9 | 126.6 | -1.9 | -64.4 | 178.9 | -178.7 | 177.8 | 0 | 110 | I396 | I396-K398 HydrophobicContact CG2-CG 4.45Š| ||
| 399 | R | 39.5 | Very low | 46 | Very low | 254 Ų | 254 | 122 Ų | 122 | 96% | 0.958 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 164 | 126 | 152.5 | 176.9 | -174.5 | -71.3 | -160.8 | -0.5 | 106.5 | ||
| 400 | G | 53.3 | Low | 45.9 | Very low | 55 Ų | 55 | 125 Ų | 125 | 57% | 0.567 | 76% | 0.756 | S | S | * | * | cis | -152.4 | 174.7 | -13.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 401 | P | 50.2 | Low | 45.9 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 147.3 | -176 | 25.1 | -33.4 | 0 | 0 | 0 | 113.2 | ||
| 402 | V | 47.7 | Very low | 45.4 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 136.5 | -170.2 | 170.8 | 0 | 0 | 0 | 0 | 112 | ||
| 403 | G | 46.5 | Very low | 45.1 | Very low | 72 Ų | 72 | 131.7 Ų | 131.7 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 118.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 404 | L | 46.7 | Very low | 45 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 150.1 | -177.9 | -72.1 | 164.1 | 0 | 0 | 0 | 111.9 | G406 | L404-G406 PolarHBondContact O-N 2.79Š|
| 405 | P | 50.4 | Low | 44.4 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 127.1 | 159.7 | -19.3 | 31.7 | 0 | 0 | 0 | 108.7 | ||
| 406 | G | 50.4 | Low | 44.1 | Very low | 69 Ų | 69 | 128.9 Ų | 128.9 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 137.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L404 | L404-G406 PolarHBondContact O-N 2.79Š|
| 407 | P | 50.6 | Low | 44.5 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 158.3 | 173.2 | 27.9 | -34.8 | 0 | 0 | 0 | 110.3 | G409 | P407-G409 PolarHBondContact O-N 2.66Š|
| 408 | L | 40.9 | Very low | 44.2 | Very low | 174 Ų | 174 | 125.7 Ų | 125.7 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | trans | -58.7 | 112.2 | 174.9 | -172.5 | 74.4 | 0 | 0 | 0 | 109.1 | E410 | L408-E410 PolarHBondContact O-N 3.27Š| ||
| 409 | G | 47.3 | Very low | 44.4 | Very low | 67 Ų | 67 | 123 Ų | 123 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | -60.1 | 130.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.5 | P407 | P407-G409 PolarHBondContact O-N 2.66Š| ||
| 410 | E | 39.4 | Very low | 44.5 | Very low | 190 Ų | 190 | 114.9 Ų | 114.9 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | trans | -65.9 | 150.5 | -177.4 | -60.1 | 179.2 | 127 | 0 | 0 | 111.9 | L408 G412 | L408-E410 PolarHBondContact O-N 3.27Å; E410-G412 VanDerWaalsContact C-N 3.33Å; E410-G412 PolarHBondContact O-N 3.16Å | ||
| 411 | I | 46.5 | Very low | 43.8 | Very low | 174 Ų | 174 | 120.6 Ų | 120.6 | 89% | 0.892 | 77% | 0.766 | S | S | * | * | trans | -76.2 | 89 | 172.7 | -61.4 | 179.4 | 0 | 0 | 0 | 108.7 | Q413 | I411-Q413 PolarHBondContact O-N 3.4Š| ||
| 412 | G | 40.5 | Very low | 43.2 | Very low | 70 Ų | 70 | 123.4 Ų | 123.4 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | -73.4 | 112.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E410 | E410-G412 VanDerWaalsContact C-N 3.33Å; E410-G412 PolarHBondContact O-N 3.16Å | ||
| 413 | Q | 39 | Very low | 42.8 | Very low | 184 Ų | 184 | 120.9 Ų | 120.9 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -24.1 | 135.2 | 175.9 | -61.3 | 172.1 | -4.2 | 0 | 0 | 118.1 | I411 | I411-Q413 PolarHBondContact O-N 3.4Š| ||
| 414 | P | 49.7 | Very low | 42.5 | Very low | 138 Ų | 138 | 127 Ų | 127 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | trans | -86.6 | 142.7 | 171.9 | 34.5 | -33.9 | 0 | 0 | 0 | 113.7 | ||||
| 415 | G | 31 | Very low | 42.2 | Very low | 79 Ų | 79 | 131.5 Ų | 131.5 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | 169 | 146.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 416 | S | 36.7 | Very low | 41.9 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | cis | -149.7 | 155.5 | 0.7 | 56 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 417 | P | 48.4 | Very low | 41.6 | Very low | 78 Ų | 78 | 131.7 Ų | 131.7 | 51% | 0.506 | 78% | 0.783 | S | S | . | * | trans | -90.9 | 149.4 | -176.1 | 34.2 | -33.1 | 0 | 0 | 0 | 114.1 | I547 | P417-I547 HydrophobicContact CG-CD1 4.24Š| ||
| 418 | G | 37.1 | Very low | 41.1 | Very low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | -146.4 | 154.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 419 | Y | 40.1 | Very low | 41.4 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 55% | 0.553 | 78% | 0.777 | S | S | * | * | trans | -149 | 164.5 | -152.9 | 158.6 | -97.7 | 0 | 0 | 0 | 114.1 | K548 | Y419-K548 HydrophobicContact CD1-CB 3.48Å; Y419-K548 VanDerWaalsContact CD1-CB 3.48Å; Y419-K548 HydrophobicContact CD1-CG 4.29Å; Y419-K548 HydrophobicContact CD2-CB 4.06Å; Y419-K548 HydrophobicContact CD2-CD 3.69Å; Y419-K548 HydrophobicContact CD2-CG 4.24Å; Y419-K548 HydrophobicContact CE1-CB 3.86Å; Y419-K548 HydrophobicContact CE1-CG 4.27Å; Y419-K548 HydrophobicContact CE2-CB 4.38Å; Y419-K548 HydrophobicContact CE2-CD 3.78Å; Y419-K548 HydrophobicContact CE2-CG 4.21Å; Y419-K548 HydrophobicContact CG-CB 3.58Å; Y419-K548 HydrophobicContact CG-CD 4.11Å; Y419-K548 HydrophobicContact CG-CG 4.27Å | ||
| 420 | S | 41.7 | Very low | 41.4 | Very low | 85 Ų | 85 | 133.7 Ų | 133.7 | 59% | 0.594 | 79% | 0.787 | S | S | * | * | -179.1 | 134.2 | -87.5 | 55.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 421 | E | 40.2 | Very low | 42 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -122.8 | 121.4 | -166 | -80.7 | -156.1 | 151.6 | 0 | 0 | 117.7 | ||||
| 422 | K | 37.1 | Very low | 42.2 | Very low | 198 Ų | 198 | 125.9 Ų | 125.9 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | 73.2 | 111.3 | 124.2 | -157.9 | 177.4 | -174.2 | -179.4 | 0 | 122.8 | |||||
| 423 | G | 39.6 | Very low | 42.5 | Very low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | 99.7 | 136.5 | 149.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 424 | E | 39.3 | Very low | 42.7 | Very low | 202 Ų | 202 | 134.1 Ų | 134.1 | 94% | 0.944 | 79% | 0.791 | S | S | * | * | cis | -138.3 | -168.4 | -9.2 | -76.1 | -151 | 129.6 | 0 | 0 | 110.9 | ||||
| 425 | R | 39.6 | Very low | 42.8 | Very low | 248 Ų | 248 | 130.6 Ų | 130.6 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | trans | -83.9 | 123.6 | -165.8 | -178.3 | -173.1 | -64.6 | 163.4 | 1 | 114.2 | ||||
| 426 | G | 45 | Very low | 43.7 | Very low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -117.3 | 157.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 427 | S | 43.4 | Very low | 44.3 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 141.9 | -175.8 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | G429 | S427-G429 PolarHBondContact O-N 2.78Š|
| 428 | D | 41.7 | Very low | 44.9 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 125.7 | 172.2 | -64.1 | -52.9 | 0 | 0 | 0 | 111.6 | ||
| 429 | G | 46.2 | Very low | 45.9 | Very low | 68 Ų | 68 | 137.4 Ų | 137.4 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 145.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S427 P431 | S427-G429 PolarHBondContact O-N 2.78Å; G429-P431 WeakPolarHBondContact O-CD 3.4Å |
| 430 | L | 46.5 | Very low | 46.7 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 126.4 | 175.1 | -73.7 | 166.6 | 0 | 0 | 0 | 110.6 | G432 | L430-G432 PolarHBondContact O-N 2.04Š|
| 431 | P | 52.5 | Low | 47.6 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 129.2 | 168.8 | -25.8 | 35.2 | 0 | 0 | 0 | 110 | G429 | G429-P431 WeakPolarHBondContact O-CD 3.4Š|
| 432 | G | 50.3 | Low | 48.3 | Very low | 75 Ų | 75 | 136.1 Ų | 136.1 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -56 | 143.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L430 R434 | L430-G432 PolarHBondContact O-N 2.04Å; G432-R434 PolarHBondContact O-N 2.99Å |
| 433 | L | 47.1 | Very low | 48.9 | Very low | 178 Ų | 178 | 132.7 Ų | 132.7 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 116.6 | 178.1 | -73.9 | 168.6 | 0 | 0 | 0 | 110.3 | G435 | L433-G435 PolarHBondContact O-N 3.26Å; L433-G435 VanDerWaalsContact O-N 3.14Å |
| 434 | R | 42.7 | Very low | 49.2 | Very low | 249 Ų | 249 | 132.8 Ų | 132.8 | 94% | 0.94 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -62 | 116.8 | 169.7 | -176.9 | 175.3 | -178.3 | 164.4 | 1.4 | 107.5 | G432 | G432-R434 PolarHBondContact O-N 2.99Š|
| 435 | G | 53.1 | Low | 49.6 | Very low | 65 Ų | 65 | 131.7 Ų | 131.7 | 67% | 0.67 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 153.5 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L433 | L433-G435 PolarHBondContact O-N 3.26Å; L433-G435 VanDerWaalsContact O-N 3.14Å |
| 436 | E | 50.1 | Low | 50.1 | Low | 193 Ų | 193 | 128.9 Ų | 128.9 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 145.2 | 179.3 | -58.8 | -176 | 136.2 | 0 | 0 | 111.8 | G438 | E436-G438 PolarHBondContact O-N 2.88Å; E436-G438 VanDerWaalsContact O-N 3.13Å |
| 437 | A | 48 | Very low | 50.5 | Low | 107 Ų | 107 | 129 Ų | 129 | 88% | 0.884 | 82% | 0.82 | S | S | * | * | trans | -68.4 | 110.1 | 166 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 438 | G | 60.8 | Low | 51 | Low | 60 Ų | 60 | 131.6 Ų | 131.6 | 62% | 0.619 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 156.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E436 | E436-G438 PolarHBondContact O-N 2.88Å; E436-G438 VanDerWaalsContact O-N 3.13Å |
| 439 | P | 58.1 | Low | 51.3 | Low | 120 Ų | 120 | 128 Ų | 128 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 146.7 | 178.2 | 26.6 | -34.9 | 0 | 0 | 0 | 111.1 | G441 | P439-G441 PolarHBondContact O-N 2.82Š|
| 440 | P | 58.8 | Low | 51.4 | Low | 128 Ų | 128 | 128.4 Ų | 128.4 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 131.8 | 171.3 | -26.7 | 35.4 | 0 | 0 | 0 | 111.3 | ||
| 441 | G | 59.9 | Low | 51.3 | Low | 73 Ų | 73 | 129.4 Ų | 129.4 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 138.5 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | P439 | P439-G441 PolarHBondContact O-N 2.82Š|
| 442 | L | 53.8 | Low | 51.1 | Low | 171 Ų | 171 | 129.6 Ų | 129.6 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 134.6 | 167.6 | -72.2 | 167.9 | 0 | 0 | 0 | 110.2 | G444 | L442-G444 PolarHBondContact O-N 2.88Š|
| 443 | P | 51.1 | Low | 50.5 | Low | 127 Ų | 127 | 129.4 Ų | 129.4 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -66.8 | 122.3 | 176.6 | -21.9 | 33.7 | 0 | 0 | 0 | 112.8 | ||
| 444 | G | 44.8 | Very low | 50 | Low | 73 Ų | 73 | 130.3 Ų | 130.3 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | trans | 71 | 100.5 | 157 | 0 | 0 | 0 | 0 | 0 | 117.2 | L442 | L442-G444 PolarHBondContact O-N 2.88Š| ||
| 445 | I | 48 | Very low | 49.6 | Very low | 179 Ų | 179 | 128.3 Ų | 128.3 | 92% | 0.918 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 131.3 | 155.7 | 17.1 | 173.9 | 0 | 0 | 0 | 109.6 | ||
| 446 | Q | 49.4 | Very low | 48.9 | Very low | 189 Ų | 189 | 128.7 Ų | 128.7 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 157.3 | 173 | -171.4 | 170.7 | -5.8 | 0 | 0 | 111 | ||
| 447 | G | 54.6 | Low | 48.4 | Very low | 69 Ų | 69 | 129 Ų | 129 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 157.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 448 | I | 53 | Low | 47.8 | Very low | 175 Ų | 175 | 129.5 Ų | 129.5 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 143.3 | -176.3 | -34.5 | 177.5 | 0 | 0 | 0 | 111.3 | ||
| 449 | A | 48.2 | Very low | 47 | Very low | 90 Ų | 90 | 133.4 Ų | 133.4 | 74% | 0.744 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 146.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 450 | G | 48.9 | Very low | 46.2 | Very low | 77 Ų | 77 | 138.3 Ų | 138.3 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 141.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 451 | E | 44.7 | Very low | 45.5 | Very low | 196 Ų | 196 | 135.4 Ų | 135.4 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 152.9 | -177.6 | -65.6 | -171.4 | 118.1 | 0 | 0 | 113.4 | ||
| 452 | P | 48 | Very low | 44.7 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | -113.7 | 150.6 | -167.1 | 39.2 | -29.4 | 0 | 0 | 0 | 115.8 | ||||
| 453 | G | 38.3 | Very low | 44.4 | Very low | 71 Ų | 71 | 136.1 Ų | 136.1 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | trans | 154.9 | 148.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 454 | Q | 35.5 | Very low | 44 | Very low | 198 Ų | 198 | 133.9 Ų | 133.9 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | cis | -144.9 | -177.9 | -4.2 | -67 | -164.5 | 5 | 0 | 0 | 111.7 | ||||
| 455 | K | 34.9 | Very low | 43.7 | Very low | 207 Ų | 207 | 141.1 Ų | 141.1 | 90% | 0.9 | 83% | 0.83 | S | S | * | * | trans | -66.3 | 160.7 | 178.6 | -53.6 | 159.6 | -174.2 | 172.8 | 0 | 111.3 | ||||
| 456 | G | 37.2 | Very low | 43 | Very low | 72 Ų | 72 | 140 Ų | 140 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | cis | 136.3 | 149 | 1.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 457 | E | 40.1 | Very low | 42.7 | Very low | 199 Ų | 199 | 134.2 Ų | 134.2 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | trans | -151.8 | 174.3 | 179.2 | -129.9 | 163.5 | -140.4 | 0 | 0 | 113.4 | ||||
| 458 | T | 35.6 | Very low | 42.1 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 72% | 0.724 | 82% | 0.817 | S | S | * | * | trans | -130.5 | 148.6 | -146.2 | 57 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 459 | V | 44.6 | Very low | 41.9 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -143.9 | 146 | 162.2 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 460 | Y | 41.3 | Very low | 41.7 | Very low | 223 Ų | 223 | 135.2 Ų | 135.2 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | trans | -109.5 | 164.4 | 174.1 | -72.5 | -98.6 | 0 | 0 | 0 | 110.6 | ||||
| 461 | G | 44.1 | Very low | 41.4 | Very low | 66 Ų | 66 | 138.4 Ų | 138.4 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | cis | -174.3 | -143.8 | 5.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 462 | P | 41.7 | Very low | 41.4 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | cis | -117.8 | 173.5 | -9.8 | 41.3 | -28.9 | 0 | 0 | 0 | 113.3 | ||||
| 463 | P | 47.7 | Very low | 41.1 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -96.9 | 155.8 | -178.9 | 36.9 | -34.4 | 0 | 0 | 0 | 115 | ||||
| 464 | G | 43.3 | Very low | 41.2 | Very low | 80 Ų | 80 | 138.8 Ų | 138.8 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -161.5 | 130.2 | 169 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 465 | R | 38.4 | Very low | 42.2 | Very low | 226 Ų | 226 | 134.9 Ų | 134.9 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -94.9 | 173.5 | 170.4 | -71.2 | 168 | 153.2 | -143.6 | 11 | 108.8 | ||||
| 466 | E | 33.7 | Very low | 42.8 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | cis | -159 | 167.3 | 15.8 | -149.5 | 150.3 | -116.9 | 0 | 0 | 110.7 | ||||
| 467 | G | 43 | Very low | 43.2 | Very low | 67 Ų | 67 | 135.9 Ų | 135.9 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | 140.5 | 112.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 468 | N | 40.7 | Very low | 43.8 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -119.9 | -167.4 | 173.8 | -33.5 | -76.6 | 0 | 0 | 0 | 108.9 | ||||
| 469 | P | 50.4 | Low | 44.6 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | cis | -134 | -176.1 | -17.9 | 37.2 | -18.8 | 0 | 0 | 0 | 114.1 | ||||
| 470 | G | 43.2 | Very low | 44.5 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 128.8 | 133.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 471 | V | 42.6 | Very low | 44.8 | Very low | 145 Ų | 145 | 130.9 Ų | 130.9 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | cis | -139.7 | 147.1 | 2.4 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 472 | D | 45 | Very low | 45 | Very low | 168 Ų | 168 | 130.8 Ų | 130.8 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | -81.7 | 155.2 | -170.5 | -55.9 | -64 | 0 | 0 | 0 | 116 | ||||
| 473 | G | 41.8 | Very low | 44.9 | Very low | 71 Ų | 71 | 132.4 Ų | 132.4 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | 152.9 | 131.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 474 | I | 39.7 | Very low | 45.3 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | cis | -122.3 | 144 | 9.4 | -61.5 | 172.7 | 0 | 0 | 0 | 108.8 | G476 | I474-G476 PolarHBondContact O-N 2.83Š| ||
| 475 | P | 56.4 | Low | 45.5 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 131.8 | 175 | -24.9 | 34.6 | 0 | 0 | 0 | 113 | ||
| 476 | G | 48.7 | Very low | 45.7 | Very low | 67 Ų | 67 | 128.6 Ų | 128.6 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 143 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | I474 P478 | I474-G476 PolarHBondContact O-N 2.83Å; G476-P478 WeakPolarHBondContact O-CD 3.49Å |
| 477 | R | 46 | Very low | 46.8 | Very low | 233 Ų | 233 | 126.7 Ų | 126.7 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 127.7 | 177.7 | -85.7 | -171.5 | 173.5 | -165.9 | -1.8 | 109.9 | G479 | R477-G479 PolarHBondContact O-N 2.86Š|
| 478 | P | 52.9 | Low | 46.7 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 138.5 | 160.2 | -22.4 | 33.9 | 0 | 0 | 0 | 109.2 | G476 | G476-P478 WeakPolarHBondContact O-CD 3.49Š|
| 479 | G | 51 | Low | 46.8 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 138.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | R477 R481 | R477-G479 PolarHBondContact O-N 2.86Å; G479-R481 PolarHBondContact O-N 3.41Å |
| 480 | D | 42.7 | Very low | 46.2 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -63.3 | 100.2 | -175 | -63.1 | -56.7 | 0 | 0 | 0 | 110.8 | G482 | D480-G482 PolarHBondContact O-N 2.65Š| ||
| 481 | R | 47.1 | Very low | 45.8 | Very low | 235 Ų | 235 | 132 Ų | 132 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -71 | 111.1 | 171.9 | 179.9 | -178.1 | -175.1 | 171.9 | 2.4 | 107.4 | G479 | G479-R481 PolarHBondContact O-N 3.41Š| ||
| 482 | G | 49.6 | Very low | 45.9 | Very low | 65 Ų | 65 | 131.2 Ų | 131.2 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 136.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D480 P484 | D480-G482 PolarHBondContact O-N 2.65Å; G482-P484 WeakPolarHBondContact O-CD 3.29Å |
| 483 | D | 38.9 | Very low | 45.8 | Very low | 159 Ų | 159 | 129.6 Ų | 129.6 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 124.2 | -174 | -69.1 | -61.6 | 0 | 0 | 0 | 112.2 | G485 | D483-G485 PolarHBondContact O-N 2.67Š|
| 484 | P | 55.5 | Low | 45.6 | Very low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 125.3 | 165.3 | -20.7 | 33.2 | 0 | 0 | 0 | 109.4 | G482 L486 | G482-P484 WeakPolarHBondContact O-CD 3.29Å; P484-L486 PolarHBondContact O-N 3.06Å |
| 485 | G | 47.6 | Very low | 45.7 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 129.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D483 P487 | D483-G485 PolarHBondContact O-N 2.67Å; G485-P487 WeakPolarHBondContact O-CD 3.35Å |
| 486 | L | 43.6 | Very low | 44.6 | Very low | 169 Ų | 169 | 125.6 Ų | 125.6 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 124.5 | -178.8 | -72.9 | 171 | 0 | 0 | 0 | 111.1 | P484 G488 | P484-L486 PolarHBondContact O-N 3.06Å; L486-G488 PolarHBondContact O-N 3.31Å |
| 487 | P | 55.9 | Low | 44.4 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 75% | 0.747 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 136.8 | 172.7 | -24.7 | 35 | 0 | 0 | 0 | 111.5 | G485 I489 | G485-P487 WeakPolarHBondContact O-CD 3.35Å; P487-I489 PolarHBondContact O-N 3.15Å |
| 488 | G | 40.8 | Very low | 44.1 | Very low | 82 Ų | 82 | 125.8 Ų | 125.8 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 118.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L486 K490 | L486-G488 PolarHBondContact O-N 3.31Å; G488-K490 PolarHBondContact O-N 3.4Å |
| 489 | I | 43.5 | Very low | 43.4 | Very low | 174 Ų | 174 | 128.8 Ų | 128.8 | 89% | 0.892 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 123.3 | 176.1 | 44.5 | 172.8 | 0 | 0 | 0 | 111.4 | P487 | P487-I489 PolarHBondContact O-N 3.15Š|
| 490 | K | 38.3 | Very low | 43.3 | Very low | 204 Ų | 204 | 131.9 Ų | 131.9 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 131.9 | -179.1 | -173.1 | 176.2 | -179 | 177.8 | 0 | 110.7 | G488 | G488-K490 PolarHBondContact O-N 3.4Š|
| 491 | G | 35.2 | Very low | 43.6 | Very low | 74 Ų | 74 | 126.6 Ų | 126.6 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 149.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 492 | T | 43.5 | Very low | 43.5 | Very low | 129 Ų | 129 | 121.2 Ų | 121.2 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -111.1 | 135.1 | 174.5 | 44.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 493 | P | 42.4 | Very low | 43.9 | Very low | 134 Ų | 134 | 124 Ų | 124 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | trans | -72.9 | 147.5 | 175.1 | 31.1 | -34.3 | 0 | 0 | 0 | 110.8 | ||||
| 494 | G | 39.1 | Very low | 44.3 | Very low | 80 Ų | 80 | 119.9 Ų | 119.9 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -113.5 | 159 | -160.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 495 | A | 40.3 | Very low | 43.6 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | trans | -155.2 | 145.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 496 | G | 34.8 | Very low | 43.6 | Very low | 75 Ų | 75 | 128 Ų | 128 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | cis | 165.1 | 74.1 | -5.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 497 | Q | 43.7 | Very low | 43.7 | Very low | 190 Ų | 190 | 123.4 Ų | 123.4 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -151.2 | 141.9 | 166.2 | -105.9 | 177.1 | 11.8 | 0 | 0 | 110.9 | ||||
| 498 | P | 40.5 | Very low | 43.1 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | trans | -90.1 | 115.9 | -172.2 | 33.3 | -32.9 | 0 | 0 | 0 | 113.2 | ||||
| 499 | L | 37.6 | Very low | 43.7 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -111.4 | 89.4 | 164.3 | -82.6 | 163.9 | 0 | 0 | 0 | 109.3 | G501 | L499-G501 PolarHBondContact O-N 3.15Å; L499-G501 VanDerWaalsContact O-N 3.09Å | ||
| 500 | T | 47.7 | Very low | 44.2 | Very low | 135 Ų | 135 | 120.8 Ų | 120.8 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | trans | -69.8 | 102.6 | 174.1 | -54.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 501 | G | 50 | Low | 45.1 | Very low | 48 Ų | 48 | 116.3 Ų | 116.3 | 50% | 0.495 | 78% | 0.781 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 157.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111 | L499 | L499-G501 PolarHBondContact O-N 3.15Å; L499-G501 VanDerWaalsContact O-N 3.09Å |
| 502 | P | 44.3 | Very low | 46.3 | Very low | 123 Ų | 123 | 118.8 Ų | 118.8 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 142.1 | 176 | 25.7 | -34.4 | 0 | 0 | 0 | 110 | G504 | P502-G504 PolarHBondContact O-N 3.43Š|
| 503 | P | 58.3 | Low | 46.8 | Very low | 124 Ų | 124 | 116 Ų | 116 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 135.3 | 175.2 | -27.3 | 35 | 0 | 0 | 0 | 110.9 | Q505 | P503-Q505 PolarHBondContact O-N 2.84Š|
| 504 | G | 47.3 | Very low | 47.2 | Very low | 71 Ų | 71 | 117.6 Ų | 117.6 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 135.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | P502 E506 | P502-G504 PolarHBondContact O-N 3.43Å; G504-E506 PolarHBondContact O-N 3Å |
| 505 | Q | 41.6 | Very low | 47.5 | Very low | 180 Ų | 180 | 118.6 Ų | 118.6 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -56.3 | 114.3 | -179.8 | -177 | 171.3 | 58.1 | 0 | 0 | 109.1 | P503 G507 | P503-Q505 PolarHBondContact O-N 2.84Å; Q505-G507 PolarHBondContact O-N 2.72Å | ||
| 506 | E | 47.4 | Very low | 48 | Very low | 182 Ų | 182 | 116.6 Ų | 116.6 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 117.7 | 178.3 | -74.1 | -169.4 | 140.8 | 0 | 0 | 108.8 | G504 F508 | G504-E506 PolarHBondContact O-N 3Å; E506-F508 PolarHBondContact O-N 2.69Å |
| 507 | G | 46.1 | Very low | 48.7 | Very low | 72 Ų | 72 | 124.9 Ų | 124.9 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 123.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q505 A509 | Q505-G507 PolarHBondContact O-N 2.72Å; G507-A509 PolarHBondContact O-N 3.29Å |
| 508 | F | 43.7 | Very low | 48.7 | Very low | 160 Ų | 160 | 123.5 Ų | 123.5 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 120.3 | 177.8 | -69.6 | -77.4 | 0 | 0 | 0 | 109.6 | E506 G510 | E506-F508 PolarHBondContact O-N 2.69Å; F508-G510 PolarHBondContact O-N 2.78Å; F508-G510 VanDerWaalsContact O-N 3.11Å |
| 509 | A | 52.9 | Low | 49.2 | Very low | 97 Ų | 97 | 120.9 Ų | 120.9 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 123.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | G507 | G507-A509 PolarHBondContact O-N 3.29Š|
| 510 | G | 53 | Low | 49.6 | Very low | 58 Ų | 58 | 120.9 Ų | 120.9 | 60% | 0.598 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 147.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | F508 | F508-G510 PolarHBondContact O-N 2.78Å; F508-G510 VanDerWaalsContact O-N 3.11Å |
| 511 | P | 57.3 | Low | 50.1 | Low | 111 Ų | 111 | 119.4 Ų | 119.4 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -53 | 131.1 | 173.5 | 24.4 | -33.3 | 0 | 0 | 0 | 108.2 | G513 | P511-G513 PolarHBondContact O-N 2.82Å; P511-G513 VanDerWaalsContact O-N 3.09Å |
| 512 | P | 61 | Low | 50.3 | Low | 126 Ų | 126 | 120.6 Ų | 120.6 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 123.7 | 173.2 | -26.2 | 34.6 | 0 | 0 | 0 | 108.4 | D514 | P512-D514 PolarHBondContact O-N 3.09Š|
| 513 | G | 53.2 | Low | 50.5 | Low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 138.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P511 A515 | P511-G513 PolarHBondContact O-N 2.82Å; P511-G513 VanDerWaalsContact O-N 3.09Å; G513-A515 PolarHBondContact O-N 2.9Å; G513-A515 VanDerWaalsContact O-N 3.12Å |
| 514 | D | 51.1 | Low | 50.7 | Low | 167 Ų | 167 | 119.8 Ų | 119.8 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 122.7 | -179.3 | -75.9 | -51.6 | 0 | 0 | 0 | 109.8 | P512 G516 | P512-D514 PolarHBondContact O-N 3.09Å; D514-G516 PolarHBondContact O-N 3.14Å |
| 515 | A | 46.5 | Very low | 51.3 | Low | 100 Ų | 100 | 119.9 Ų | 119.9 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -56.4 | 115.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | G513 R517 | G513-A515 PolarHBondContact O-N 2.9Å; G513-A515 VanDerWaalsContact O-N 3.12Å; A515-R517 PolarHBondContact O-N 3.4Å | ||
| 516 | G | 51 | Low | 51.6 | Low | 67 Ų | 67 | 115.8 Ų | 115.8 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 133.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | D514 I518 | D514-G516 PolarHBondContact O-N 3.14Å; G516-I518 PolarHBondContact O-N 3.17Å |
| 517 | R | 48.2 | Very low | 52.1 | Low | 250 Ų | 250 | 113.3 Ų | 113.3 | 94% | 0.943 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -47 | 117.9 | -178.8 | -91.1 | -172.8 | 167.6 | -142.8 | -1.4 | 109.5 | A515 G519 | A515-R517 PolarHBondContact O-N 3.4Å; R517-G519 PolarHBondContact O-N 3.41Å; R517-G519 VanDerWaalsContact O-N 3.09Å |
| 518 | I | 44.5 | Very low | 52.5 | Low | 161 Ų | 161 | 113 Ų | 113 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 119.3 | 177.9 | -63.6 | 171.3 | 0 | 0 | 0 | 108.1 | G516 L520 | G516-I518 PolarHBondContact O-N 3.17Å; I518-L520 PolarHBondContact O-N 3.12Å |
| 519 | G | 51.7 | Low | 52.6 | Low | 60 Ų | 60 | 111.6 Ų | 111.6 | 62% | 0.619 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 133.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | R517 P521 | R517-G519 PolarHBondContact O-N 3.41Å; R517-G519 VanDerWaalsContact O-N 3.09Å; G519-P521 WeakPolarHBondContact O-CD 3.28Å |
| 520 | L | 46.1 | Very low | 52.1 | Low | 175 Ų | 175 | 117.1 Ų | 117.1 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 121.4 | 175.7 | -76.3 | 158.8 | 0 | 0 | 0 | 109.1 | I518 G522 | I518-L520 PolarHBondContact O-N 3.12Å; L520-G522 PolarHBondContact O-N 2.84Å |
| 521 | P | 58 | Low | 51.8 | Low | 105 Ų | 105 | 117.7 Ų | 117.7 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 131.5 | 176.3 | -24.8 | 35.1 | 0 | 0 | 0 | 110.5 | G519 | G519-P521 WeakPolarHBondContact O-CD 3.28Š|
| 522 | G | 52.4 | Low | 50.8 | Low | 72 Ų | 72 | 122.2 Ų | 122.2 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 140.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L520 | L520-G522 PolarHBondContact O-N 2.84Š|
| 523 | T | 49.7 | Very low | 49.9 | Very low | 112 Ų | 112 | 128 Ų | 128 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 131.1 | 172.3 | 46.6 | 0 | 0 | 0 | 0 | 110.2 | G525 | T523-G525 PolarHBondContact O-N 3.47Š|
| 524 | P | 62.7 | Low | 49.2 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 137.8 | 175 | -26 | 35.2 | 0 | 0 | 0 | 112.2 | ||
| 525 | G | 58.7 | Low | 48.6 | Very low | 72 Ų | 72 | 128.7 Ų | 128.7 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 148.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T523 | T523-G525 PolarHBondContact O-N 3.47Š|
| 526 | A | 49.6 | Very low | 48.6 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 145.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G528 | A526-G528 PolarHBondContact O-N 3.03Š|
| 527 | P | 57.2 | Low | 48 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 129.8 | 178.8 | -25.4 | 35.1 | 0 | 0 | 0 | 112.5 | ||
| 528 | G | 53.5 | Low | 47.8 | Very low | 64 Ų | 64 | 125.2 Ų | 125.2 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 155.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | A526 | A526-G528 PolarHBondContact O-N 3.03Š|
| 529 | P | 45.9 | Very low | 47.9 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 138.5 | 173.8 | 28.2 | -34.4 | 0 | 0 | 0 | 110.9 | G531 | P529-G531 PolarHBondContact O-N 2.72Š|
| 530 | K | 42.8 | Very low | 47.2 | Very low | 213 Ų | 213 | 130.5 Ų | 130.5 | 93% | 0.926 | 80% | 0.803 | S | S | * | * | trans | -74.4 | 112 | 174.9 | -172.8 | 178.7 | 180 | -177.6 | 0 | 108.7 | ||||
| 531 | G | 46.9 | Very low | 47.3 | Very low | 69 Ų | 69 | 128.1 Ų | 128.1 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -71.1 | 166.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | P529 | P529-G531 PolarHBondContact O-N 2.72Š| ||
| 532 | E | 36.9 | Very low | 46.2 | Very low | 207 Ų | 207 | 130.9 Ų | 130.9 | 97% | 0.967 | 81% | 0.807 | S | S | * | * | trans | -80.9 | 168.4 | 172.4 | -62.4 | -171.1 | 137.5 | 0 | 0 | 112 | ||||
| 533 | R | 41.6 | Very low | 45.8 | Very low | 248 Ų | 248 | 130.8 Ų | 130.8 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | trans | -144.3 | 128.7 | -169.1 | 173.9 | -160.6 | -71.3 | -178.9 | -6.6 | 110.7 | ||||
| 534 | G | 38.6 | Very low | 45.2 | Very low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | trans | 161.7 | 145.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 535 | E | 38.3 | Very low | 44.5 | Very low | 185 Ų | 185 | 133.4 Ų | 133.4 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | cis | -145.2 | 150.1 | -3.1 | -62.3 | -176.7 | 136.9 | 0 | 0 | 110.1 | ||||
| 536 | D | 45.8 | Very low | 43.9 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 81% | 0.807 | 82% | 0.818 | S | S | * | * | trans | 41.6 | 117.3 | 141.7 | -65.7 | 11.9 | 0 | 0 | 0 | 121.1 | ||||
| 537 | C | 39.4 | Very low | 43.9 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | 81 | 126.9 | 81.2 | -171.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 538 | G | 43.3 | Very low | 43.2 | Very low | 64 Ų | 64 | 134.5 Ų | 134.5 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | cis | 165.9 | -170 | -2.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 539 | K | 46.8 | Very low | 43 | Very low | 209 Ų | 209 | 134.3 Ų | 134.3 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | 84.3 | 147.5 | 177.6 | -58.2 | -177.5 | 179 | 177.7 | 0 | 118.1 | ||||
| 540 | C | 37.1 | Very low | 43 | Very low | 123 Ų | 123 | 136 Ų | 136 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -104.1 | 174.8 | -169.9 | -42.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 541 | P | 47.8 | Very low | 43.2 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | -142 | -172.9 | 72.5 | 38.7 | -20.1 | 0 | 0 | 0 | 115.4 | |||||
| 542 | D | 34.9 | Very low | 43.4 | Very low | 164 Ų | 164 | 136.7 Ų | 136.7 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -72.6 | 153.6 | -170.7 | -46.1 | -92.5 | 0 | 0 | 0 | 115.6 | ||||
| 543 | G | 44.7 | Very low | 43.7 | Very low | 70 Ų | 70 | 134.3 Ų | 134.3 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 177.1 | 35.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 544 | L | 37.8 | Very low | 43.8 | Very low | 173 Ų | 173 | 128.3 Ų | 128.3 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | 64.2 | 165.9 | 167 | -56.5 | 170.4 | 0 | 0 | 0 | 117.8 | ||||
| 545 | P | 47.7 | Very low | 44.1 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | cis | -118.2 | 136.3 | -37 | 32.7 | -19 | 0 | 0 | 0 | 111.5 | I547 | P545-I547 PolarHBondContact O-N 3.08Š| ||
| 546 | G | 46.3 | Very low | 44.5 | Very low | 80 Ų | 80 | 126.8 Ų | 126.8 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -68.1 | 125 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K548 | G546-K548 PolarHBondContact O-N 3.29Š| ||
| 547 | I | 49.5 | Very low | 44.5 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 60% | 0.595 | 77% | 0.766 | S | S | * | * | trans | -55.4 | 136 | 171.1 | 49.2 | 171.4 | 0 | 0 | 0 | 110.2 | P417 P545 G549 | P417-I547 HydrophobicContact CG-CD1 4.24Å; P545-I547 PolarHBondContact O-N 3.08Å; I547-G549 PolarHBondContact O-N 3.15Å | ||
| 548 | K | 41.2 | Very low | 44.7 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 54% | 0.539 | 76% | 0.757 | S | S | . | * | trans | -58.4 | 112.5 | 178.4 | -179.7 | -124.7 | -150.6 | 161 | 0 | 108.9 | Y419 G546 E550 | Y419-K548 HydrophobicContact CD1-CB 3.48Å; Y419-K548 VanDerWaalsContact CD1-CB 3.48Å; Y419-K548 HydrophobicContact CD1-CG 4.29Å; Y419-K548 HydrophobicContact CD2-CB 4.06Å; Y419-K548 HydrophobicContact CD2-CD 3.69Å; Y419-K548 HydrophobicContact CD2-CG 4.24Å; Y419-K548 HydrophobicContact CE1-CB 3.86Å; Y419-K548 HydrophobicContact CE1-CG 4.27Å; Y419-K548 HydrophobicContact CE2-CB 4.38Å; Y419-K548 HydrophobicContact CE2-CD 3.78Å; Y419-K548 HydrophobicContact CE2-CG 4.21Å; Y419-K548 HydrophobicContact CG-CB 3.58Å; Y419-K548 HydrophobicContact CG-CD 4.11Å; Y419-K548 HydrophobicContact CG-CG 4.27Å; G546-K548 PolarHBondContact O-N 3.29Å; K548-E550 PolarHBondContact O-N 3.21Å | ||
| 549 | G | 50.9 | Low | 45 | Very low | 59 Ų | 59 | 130.1 Ų | 130.1 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | trans | -51.5 | 137.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | I547 | I547-G549 PolarHBondContact O-N 3.15Š| ||
| 550 | E | 44.8 | Very low | 45.4 | Very low | 167 Ų | 167 | 126 Ų | 126 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | trans | -55.4 | 152.9 | 165.5 | -63.2 | -167.9 | 125.7 | 0 | 0 | 108.6 | K548 G552 | K548-E550 PolarHBondContact O-N 3.21Å; E550-G552 VanDerWaalsContact C-N 3.32Å; E550-G552 PolarHBondContact O-N 2.66Å | ||
| 551 | R | 47.4 | Very low | 45.9 | Very low | 238 Ų | 238 | 123.1 Ų | 123.1 | 90% | 0.898 | 75% | 0.754 | S | S | * | * | trans | -59.2 | 104.8 | 170.9 | 174 | -171.3 | -68.5 | 162.9 | -0.9 | 105.8 | D553 | R551-D553 PolarHBondContact O-N 3.13Š| ||
| 552 | G | 51.2 | Low | 46 | Very low | 59 Ų | 59 | 124.1 Ų | 124.1 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | trans | -49.6 | 141.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | E550 S554 | E550-G552 VanDerWaalsContact C-N 3.32Å; E550-G552 PolarHBondContact O-N 2.66Å; G552-S554 PolarHBondContact O-N 2.94Å | ||
| 553 | D | 42.3 | Very low | 46.6 | Very low | 158 Ų | 158 | 123.4 Ų | 123.4 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | trans | -39.9 | 131.8 | -175.2 | -69.1 | -64.2 | 0 | 0 | 0 | 110.3 | R551 G555 | R551-D553 PolarHBondContact O-N 3.13Å; D553-G555 PolarHBondContact O-N 3.18Å | ||
| 554 | S | 43.7 | Very low | 47.2 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | -64.1 | 88.5 | 169.3 | 54.4 | 0 | 0 | 0 | 0 | 106.8 | G552 L556 | G552-S554 PolarHBondContact O-N 2.94Å; S554-L556 PolarHBondContact O-N 3.09Å | ||
| 555 | G | 46.1 | Very low | 48 | Very low | 54 Ų | 54 | 120.2 Ų | 120.2 | 56% | 0.557 | 73% | 0.733 | S | S | * | * | trans | -53.5 | 131.5 | -166.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | D553 P557 | D553-G555 PolarHBondContact O-N 3.18Å; G555-P557 WeakPolarHBondContact O-CD 3.47Å | ||
| 556 | L | 45.3 | Very low | 47.9 | Very low | 167 Ų | 167 | 122.3 Ų | 122.3 | 87% | 0.874 | 73% | 0.734 | S | S | * | * | trans | -39.3 | 116.8 | 162.8 | -84.4 | 157.4 | 0 | 0 | 0 | 107 | S554 G558 | S554-L556 PolarHBondContact O-N 3.09Å; L556-G558 PolarHBondContact O-N 2.83Å | ||
| 557 | P | 46.2 | Very low | 48 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | trans | -50.3 | 112.2 | -175.3 | -30.9 | 36 | 0 | 0 | 0 | 108.3 | G555 Y559 | G555-P557 WeakPolarHBondContact O-CD 3.47Å; P557-Y559 PolarHBondContact O-N 2.8Å; P557-Y559 VanDerWaalsContact O-N 3.15Å | ||
| 558 | G | 44.6 | Very low | 48.1 | Very low | 66 Ų | 66 | 123.2 Ų | 123.2 | 68% | 0.68 | 74% | 0.742 | S | S | * | * | trans | -53.6 | 127.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 108 | L556 P560 | L556-G558 PolarHBondContact O-N 2.83Å; G558-P560 WeakPolarHBondContact O-CD 3.41Å | ||
| 559 | Y | 48.7 | Very low | 48.4 | Very low | 224 Ų | 224 | 125.6 Ų | 125.6 | 88% | 0.878 | 76% | 0.757 | S | S | * | * | trans | -42.6 | 119.1 | 179.1 | -77.3 | -83.4 | 0 | 0 | 0 | 107.8 | P557 G561 | P557-Y559 PolarHBondContact O-N 2.8Å; P557-Y559 VanDerWaalsContact O-N 3.15Å; Y559-G561 PolarHBondContact O-N 3.31Å | ||
| 560 | P | 55.3 | Low | 48.4 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | -49.6 | 117.1 | 178.6 | -29.7 | 35.9 | 0 | 0 | 0 | 107.4 | G558 V562 | G558-P560 WeakPolarHBondContact O-CD 3.41Å; P560-V562 PolarHBondContact O-N 2.83Å | ||
| 561 | G | 48.2 | Very low | 48.4 | Very low | 64 Ų | 64 | 125.9 Ų | 125.9 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | trans | -52.2 | 137.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | Y559 Q563 | Y559-G561 PolarHBondContact O-N 3.31Å; G561-Q563 PolarHBondContact O-N 3.25Å | ||
| 562 | V | 49.7 | Very low | 48.8 | Very low | 145 Ų | 145 | 120.2 Ų | 120.2 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | trans | -52.9 | 108.8 | 179.8 | -179.4 | 0 | 0 | 0 | 0 | 106.7 | P560 G564 | P560-V562 PolarHBondContact O-N 2.83Å; V562-G564 PolarHBondContact O-N 2.93Å | ||
| 563 | Q | 47.9 | Very low | 48.9 | Very low | 149 Ų | 149 | 120.3 Ų | 120.3 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | trans | -60.4 | 110.1 | 179 | -176.6 | 175.9 | -1.9 | 0 | 0 | 105.1 | G561 E566 | G561-Q563 PolarHBondContact O-N 3.25Å; Q563-E566 PolarHBondContact NE2-OE1 2.78Å | ||
| 564 | G | 56.3 | Low | 48.9 | Very low | 45 Ų | 45 | 119.5 Ų | 119.5 | 46% | 0.464 | 76% | 0.761 | S | S | . | * | P | Polyproline II helix | trans | -54.3 | 144.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | V562 E566 | V562-G564 PolarHBondContact O-N 2.93Å; G564-E566 PolarHBondContact O-N 2.93Å |
| 565 | P | 54.2 | Low | 49 | Very low | 130 Ų | 130 | 123.5 Ų | 123.5 | 84% | 0.844 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 120.6 | 175.3 | 24 | -33.4 | 0 | 0 | 0 | 107.7 | G567 | P565-G567 PolarHBondContact O-N 2.91Å; P565-G567 VanDerWaalsContact O-N 3.08Å |
| 566 | E | 45.2 | Very low | 49.1 | Very low | 158 Ų | 158 | 124 Ų | 124 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 122.8 | -172.9 | -70.7 | -170.9 | 148.1 | 0 | 0 | 108.8 | Q563 G564 V568 | Q563-E566 PolarHBondContact NE2-OE1 2.78Å; G564-E566 PolarHBondContact O-N 2.93Å; E566-V568 PolarHBondContact O-N 3.05Å |
| 567 | G | 49.1 | Very low | 48.9 | Very low | 69 Ų | 69 | 128 Ų | 128 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 127.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | P565 M569 | P565-G567 PolarHBondContact O-N 2.91Å; P565-G567 VanDerWaalsContact O-N 3.08Å; G567-M569 PolarHBondContact O-N 2.89Å |
| 568 | V | 51.3 | Low | 49.1 | Very low | 145 Ų | 145 | 128 Ų | 128 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | -56.2 | 100.6 | -172.7 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | E566 G570 | E566-V568 PolarHBondContact O-N 3.05Å; V568-G570 PolarHBondContact O-N 2.87Å | ||
| 569 | M | 47 | Very low | 49.1 | Very low | 175 Ų | 175 | 128.5 Ų | 128.5 | 86% | 0.862 | 78% | 0.777 | S | S | * | * | trans | -65 | 109.4 | -175.2 | -175.6 | 168.7 | 59.7 | 0 | 0 | 108.4 | G567 L571 | G567-M569 PolarHBondContact O-N 2.89Å; M569-L571 PolarHBondContact O-N 2.98Å | ||
| 570 | G | 51.4 | Low | 48.9 | Very low | 58 Ų | 58 | 122.7 Ų | 122.7 | 60% | 0.598 | 78% | 0.776 | S | S | * | * | trans | -56.3 | 131.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V568 P572 | V568-G570 PolarHBondContact O-N 2.87Å; G570-P572 WeakPolarHBondContact O-CD 3.24Å; G570-P572 VanDerWaalsContact O-N 3.12Å | ||
| 571 | L | 44.4 | Very low | 48.4 | Very low | 173 Ų | 173 | 123.2 Ų | 123.2 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | -52.1 | 113.2 | -176.4 | -71.5 | 168.4 | 0 | 0 | 0 | 111.6 | M569 G573 | M569-L571 PolarHBondContact O-N 2.98Å; L571-G573 PolarHBondContact O-N 3.38Å | ||
| 572 | P | 57.6 | Low | 48.1 | Very low | 119 Ų | 119 | 123.6 Ų | 123.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -64.5 | 133.6 | 171.1 | -19.8 | 34.1 | 0 | 0 | 0 | 109.6 | G570 | G570-P572 WeakPolarHBondContact O-CD 3.24Å; G570-P572 VanDerWaalsContact O-N 3.12Å | ||
| 573 | G | 51.4 | Low | 47.9 | Very low | 62 Ų | 62 | 126.7 Ų | 126.7 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | trans | -59.7 | 149.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L571 K575 | L571-G573 PolarHBondContact O-N 3.38Å; G573-K575 PolarHBondContact O-N 3.12Å | ||
| 574 | P | 42.4 | Very low | 47.5 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -69.3 | 95 | -173.7 | 28.7 | -35.6 | 0 | 0 | 0 | 111.9 | ||||
| 575 | K | 46.7 | Very low | 47 | Very low | 206 Ų | 206 | 131.1 Ų | 131.1 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 132.4 | 173.7 | -151.8 | 169.5 | -174 | 177.3 | 0 | 109.9 | G573 | G573-K575 PolarHBondContact O-N 3.12Š|
| 576 | G | 49.3 | Very low | 46.5 | Very low | 65 Ų | 65 | 128.9 Ų | 128.9 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 154.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | P578 | G576-P578 WeakPolarHBondContact O-CD 3.48Š|
| 577 | R | 40.2 | Very low | 46.6 | Very low | 251 Ų | 251 | 126.2 Ų | 126.2 | 95% | 0.947 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 123.7 | -175.8 | -64.4 | 179.1 | 177.7 | -179 | -1.2 | 113.3 | ||
| 578 | P | 50.9 | Low | 46.7 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 166 | 153.8 | -5.3 | 26.8 | 0 | 0 | 0 | 110.8 | G576 | G576-P578 WeakPolarHBondContact O-CD 3.48Š|
| 579 | G | 44.2 | Very low | 46.3 | Very low | 75 Ų | 75 | 128.6 Ų | 128.6 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 156.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 580 | A | 45.2 | Very low | 46.2 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -80 | 135.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 581 | P | 43.5 | Very low | 46.3 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | -139.1 | 168.3 | 95.9 | 38.8 | -26.9 | 0 | 0 | 0 | 112.9 | |||||
| 582 | G | 41.2 | Very low | 46.7 | Very low | 71 Ų | 71 | 127.4 Ų | 127.4 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | cis | 175.3 | 103.2 | -8.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 583 | K | 46.7 | Very low | 46.3 | Very low | 210 Ų | 210 | 133.4 Ų | 133.4 | 91% | 0.913 | 83% | 0.83 | S | S | * | * | trans | 50 | 117.4 | 174 | -72.2 | -171.5 | 177.9 | -177.2 | 0 | 118.9 | ||||
| 584 | E | 38.9 | Very low | 46.2 | Very low | 207 Ų | 207 | 133.2 Ų | 133.2 | 97% | 0.967 | 83% | 0.828 | S | S | * | * | -149.2 | 177.2 | 117.7 | -136.7 | 159.8 | -133.6 | 0 | 0 | 110 | |||||
| 585 | G | 47.2 | Very low | 46.3 | Very low | 81 Ų | 81 | 131.7 Ų | 131.7 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -134.4 | 138.9 | -157.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 586 | G | 42.5 | Very low | 46.6 | Very low | 82 Ų | 82 | 128 Ų | 128 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | 176.6 | 151.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 587 | A | 47.9 | Very low | 46.4 | Very low | 102 Ų | 102 | 128 Ų | 128 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | cis | -136.4 | 159.9 | -12.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 588 | G | 49.8 | Very low | 46.5 | Very low | 76 Ų | 76 | 124 Ų | 124 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 138.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q590 | G588-Q590 PolarHBondContact O-N 3.21Š|
| 589 | M | 43.8 | Very low | 46.4 | Very low | 188 Ų | 188 | 123.9 Ų | 123.9 | 93% | 0.926 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 127.1 | 171.8 | -71.4 | -179.5 | 69.4 | 0 | 0 | 110.1 | G591 | M589-G591 PolarHBondContact O-N 3.49Å; M589-G591 VanDerWaalsContact O-N 3.17Å |
| 590 | Q | 44.9 | Very low | 46.5 | Very low | 196 Ų | 196 | 123.7 Ų | 123.7 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 119.3 | 173.1 | -171 | 173 | 85.3 | 0 | 0 | 109 | G588 | G588-Q590 PolarHBondContact O-N 3.21Š|
| 591 | G | 54.2 | Low | 46.4 | Very low | 52 Ų | 52 | 128.8 Ų | 128.8 | 54% | 0.536 | 82% | 0.815 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 156.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M589 R593 | M589-G591 PolarHBondContact O-N 3.49Å; M589-G591 VanDerWaalsContact O-N 3.17Å; G591-R593 PolarHBondContact O-N 2.95Å |
| 592 | P | 51.7 | Low | 46.2 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 128.4 | 176.5 | 24.7 | -33.8 | 0 | 0 | 0 | 109.4 | G594 | P592-G594 PolarHBondContact O-N 2.91Š|
| 593 | R | 49.5 | Very low | 46.4 | Very low | 246 Ų | 246 | 127.1 Ų | 127.1 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | trans | -50.4 | 114.1 | 179.4 | -177.6 | 179.2 | -175.1 | 172.7 | 2.7 | 108.7 | G591 S595 | G591-R593 PolarHBondContact O-N 2.95Å; R593-S595 PolarHBondContact O-N 2.74Å | ||
| 594 | G | 50 | Low | 46 | Very low | 58 Ų | 58 | 122 Ų | 122 | 60% | 0.598 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 140.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P592 | P592-G594 PolarHBondContact O-N 2.91Š|
| 595 | S | 43.5 | Very low | 45.8 | Very low | 108 Ų | 108 | 120 Ų | 120 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 132.5 | 165.2 | 50.6 | 0 | 0 | 0 | 0 | 108.9 | R593 G597 | R593-S595 PolarHBondContact O-N 2.74Å; S595-G597 PolarHBondContact O-N 2.83Å; S595-G597 VanDerWaalsContact O-N 3.13Å |
| 596 | P | 53.3 | Low | 45.4 | Very low | 128 Ų | 128 | 119.7 Ų | 119.7 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 126.8 | 173.9 | -27.3 | 34.8 | 0 | 0 | 0 | 109.3 | L598 | P596-L598 PolarHBondContact O-N 2.9Š|
| 597 | G | 46.1 | Very low | 45 | Very low | 65 Ų | 65 | 122.3 Ų | 122.3 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 138.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | S595 P599 | S595-G597 PolarHBondContact O-N 2.83Å; S595-G597 VanDerWaalsContact O-N 3.13Å; G597-P599 VanDerWaalsContact O-N 3.16Å |
| 598 | L | 41.7 | Very low | 44.5 | Very low | 166 Ų | 166 | 123.5 Ų | 123.5 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 126.4 | 163.3 | -79.4 | 162 | 0 | 0 | 0 | 107.2 | P596 G600 | P596-L598 PolarHBondContact O-N 2.9Å; L598-G600 PolarHBondContact O-N 2.04Å |
| 599 | P | 49.4 | Very low | 43.6 | Very low | 122 Ų | 122 | 122.7 Ų | 122.7 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -50 | 120 | 172.8 | -27.2 | 35.2 | 0 | 0 | 0 | 107.8 | G597 F601 | G597-P599 VanDerWaalsContact O-N 3.16Å; P599-F601 PolarHBondContact O-N 2.8Å |
| 600 | G | 46.3 | Very low | 43.2 | Very low | 71 Ų | 71 | 120.2 Ų | 120.2 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 131.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | L598 A602 | L598-G600 PolarHBondContact O-N 2.04Å; G600-A602 PolarHBondContact O-N 2.85Å |
| 601 | F | 41.5 | Very low | 42.6 | Very low | 209 Ų | 209 | 120.6 Ų | 120.6 | 92% | 0.917 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -47 | 124.2 | 170.1 | -74.7 | -81 | 0 | 0 | 0 | 107.7 | P599 G603 | P599-F601 PolarHBondContact O-N 2.8Å; F601-G603 PolarHBondContact O-N 3.3Å |
| 602 | A | 39.9 | Very low | 41.5 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -52.1 | 115.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | G600 A604 | G600-A602 PolarHBondContact O-N 2.85Å; A602-A604 PolarHBondContact O-N 3.45Å | ||
| 603 | G | 45.2 | Very low | 40.6 | Very low | 70 Ų | 70 | 118.5 Ų | 118.5 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | -54.1 | 130.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | F601 K605 | F601-G603 PolarHBondContact O-N 3.3Å; G603-K605 PolarHBondContact O-N 3.29Å; G603-K605 VanDerWaalsContact O-N 3.07Å | ||
| 604 | A | 39 | Very low | 39.9 | Very low | 102 Ų | 102 | 110.7 Ų | 110.7 | 84% | 0.843 | 72% | 0.717 | S | S | * | * | trans | -50.5 | 123.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | A602 G606 | A602-A604 PolarHBondContact O-N 3.45Å; A604-G606 PolarHBondContact O-N 2.7Å | ||
| 605 | K | 34 | Very low | 39.3 | Very low | 166 Ų | 166 | 111.8 Ų | 111.8 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | trans | -50.8 | 109.7 | -178.7 | 178.8 | -163.5 | 177.1 | -166.6 | 0 | 108 | G603 E607 | G603-K605 PolarHBondContact O-N 3.29Å; G603-K605 VanDerWaalsContact O-N 3.07Å; K605-E607 VanDerWaalsContact C-N 3.35Å; K605-E607 HydrophobicContact CD-CG 4.04Å; K605-E607 WeakPolarHBondContact CE-OE1 3.16Å; K605-E607 HydrophobicContact CG-CG 4.31Å; K605-E607 IonicContact NZ-OE1 2.95Å; K605-E607 PolarHBondContact NZ-OE1 3.27Å; K605-E607 PolarHBondContact O-N 3.26Å | ||
| 606 | G | 38.6 | Very low | 39.1 | Very low | 75 Ų | 75 | 110.8 Ų | 110.8 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | trans | -67.2 | 96.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | A604 | A604-G606 PolarHBondContact O-N 2.7Š| ||
| 607 | E | 33.7 | Very low | 38.7 | Very low | 137 Ų | 137 | 109.1 Ų | 109.1 | 64% | 0.64 | 70% | 0.697 | S | S | * | * | trans | -73.1 | 148.2 | 165.8 | -59.1 | -147.4 | 136.4 | 0 | 0 | 109.2 | K605 G609 | K605-E607 VanDerWaalsContact C-N 3.35Å; K605-E607 HydrophobicContact CD-CG 4.04Å; K605-E607 WeakPolarHBondContact CE-OE1 3.16Å; K605-E607 HydrophobicContact CG-CG 4.31Å; K605-E607 IonicContact NZ-OE1 2.95Å; K605-E607 PolarHBondContact NZ-OE1 3.27Å; K605-E607 PolarHBondContact O-N 3.26Å; E607-G609 PolarHBondContact O-N 3.26Å | ||
| 608 | P | 37.4 | Very low | 38.4 | Very low | 127 Ų | 127 | 111 Ų | 111 | 83% | 0.825 | 70% | 0.698 | S | S | * | * | trans | -67.8 | 134.3 | -143.6 | -26.6 | 36.7 | 0 | 0 | 0 | 114.7 | ||||
| 609 | G | 32.6 | Very low | 38.1 | Very low | 59 Ų | 59 | 106.2 Ų | 106.2 | 61% | 0.608 | 69% | 0.688 | S | S | * | * | trans | -75.2 | 176.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E607 | E607-G609 PolarHBondContact O-N 3.26Š| ||
| 610 | D | 34.9 | Very low | 37.8 | Very low | 136 Ų | 136 | 107.9 Ų | 107.9 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | 75.7 | 100.9 | 163.4 | -59.3 | 10 | 0 | 0 | 0 | 115.8 | ||||
| 611 | Y | 31.8 | Very low | 37.3 | Very low | 204 Ų | 204 | 110 Ų | 110 | 80% | 0.8 | 69% | 0.691 | S | S | * | * | 81 | 159.9 | 77.5 | -69.5 | -46.5 | 0 | 0 | 0 | 111.3 | |||||
| 612 | I | 30.9 | Very low | 37.2 | Very low | 76 Ų | 76 | 102.9 Ų | 102.9 | 39% | 0.39 | 68% | 0.676 | S | S | . | * | cis | -150.6 | 170 | 8.1 | -142.4 | 155.3 | 0 | 0 | 0 | 110.8 | G696 A697 K698 | I612-G696 VanDerWaalsContact CG2-O 3.28Å; I612-G696 WeakPolarHBondContact CG2-O 3.38Å; I612-A697 VanDerWaalsContact CG2-CA 3.48Å; I612-K698 HydrophobicContact CD1-CB 4.22Å; I612-K698 VanDerWaalsContact CD1-N 3.32Å; I612-K698 VanDerWaalsContact CG1-N 3.35Å | ||
| 613 | A | 32.7 | Very low | 36.8 | Very low | 64 Ų | 64 | 107.3 Ų | 107.3 | 53% | 0.529 | 68% | 0.677 | S | S | . | * | trans | -153.4 | -172.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | K698 | A613-K698 CarbonylContact O-C 3.43Š| ||
| 614 | V | 35 | Very low | 36.1 | Very low | 82 Ų | 82 | 113.5 Ų | 113.5 | 50% | 0.497 | 68% | 0.684 | S | S | . | * | trans | 100.4 | 148.1 | 171.1 | 179.8 | 0 | 0 | 0 | 0 | 116.6 | A700 | V614-A700 WeakPolarHBondContact CG1-O 3.4Š| ||
| 615 | A | 37.7 | Very low | 35.9 | Very low | 81 Ų | 81 | 112.3 Ų | 112.3 | 67% | 0.669 | 68% | 0.681 | S | S | * | * | trans | -158 | 158 | 142.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 616 | S | 39.6 | Very low | 36 | Very low | 87 Ų | 87 | 112.8 Ų | 112.8 | 61% | 0.608 | 69% | 0.686 | S | S | * | * | cis | -144.4 | 149.3 | 8.5 | -56.6 | 0 | 0 | 0 | 0 | 112.9 | A700 R701 | S616-A700 CarbonylContact C-O 3.55Å; S616-R701 WeakPolarHBondContact O-CB 3.07Å; S616-R701 PolarHBondContact O-N 3.28Å | ||
| 617 | L | 44 | Very low | 36.1 | Very low | 93 Ų | 93 | 119.6 Ų | 119.6 | 49% | 0.487 | 69% | 0.688 | S | S | . | * | trans | -78.2 | 166 | 156.9 | -75 | 155 | 0 | 0 | 0 | 110.8 | A700 R701 | L617-A700 HydrophobicContact CD1-CB 3.87Å; L617-A700 HydrophobicContact CD2-CB 3.93Å; L617-A700 HydrophobicContact CG-CB 3.74Å; L617-R701 HydrophobicContact CD2-CB 4.01Å; L617-R701 HydrophobicContact CD2-CG 3.79Å; L617-R701 HydrophobicContact CG-CB 4.16Å; L617-R701 HydrophobicContact CG-CG 4.48Å | ||
| 618 | P | 39.9 | Very low | 36.2 | Very low | 106 Ų | 106 | 116.3 Ų | 116.3 | 69% | 0.688 | 69% | 0.691 | S | S | * | * | -144.3 | 139.4 | 90.7 | 35.3 | -19.4 | 0 | 0 | 0 | 116 | R701 | P618-R701 VanDerWaalsContact C-NH2 3.35Å; P618-R701 PolarHBondContact O-NH1 3.35Å; P618-R701 PolarHBondContact O-NH2 3.46Å | |||
| 619 | G | 36.3 | Very low | 36.3 | Very low | 65 Ų | 65 | 116.8 Ų | 116.8 | 67% | 0.67 | 69% | 0.692 | S | S | * | * | trans | -172.3 | 34.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 620 | L | 42.6 | Very low | 36.5 | Very low | 156 Ų | 156 | 119.8 Ų | 119.8 | 82% | 0.817 | 70% | 0.701 | S | S | * | * | trans | -91 | 152.7 | 167.6 | -84 | 149.5 | 0 | 0 | 0 | 108.4 | ||||
| 621 | P | 37.2 | Very low | 36.6 | Very low | 117 Ų | 117 | 116.5 Ų | 116.5 | 76% | 0.76 | 70% | 0.7 | S | S | * | * | -130.3 | 160 | 53.7 | 35.3 | -17.9 | 0 | 0 | 0 | 113.6 | F623 | P621-F623 HydrophobicContact CB-CD2 4.44Š| |||
| 622 | G | 39.3 | Very low | 37 | Very low | 58 Ų | 58 | 111.4 Ų | 111.4 | 60% | 0.598 | 70% | 0.7 | S | S | * | * | 111.6 | 166.3 | 53.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 623 | F | 30.1 | Very low | 37.3 | Very low | 193 Ų | 193 | 114.2 Ų | 114.2 | 85% | 0.846 | 72% | 0.723 | S | S | * | * | cis | -160.7 | 150.1 | -13.7 | -106.2 | -66.2 | 0 | 0 | 0 | 109.4 | P621 | P621-F623 HydrophobicContact CB-CD2 4.44Š| ||
| 624 | K | 31.5 | Very low | 37.5 | Very low | 200 Ų | 200 | 114.7 Ų | 114.7 | 87% | 0.87 | 73% | 0.734 | S | S | * | * | trans | 56.1 | 68.4 | 139.7 | -161.1 | -177.1 | 179.3 | -179.3 | 0 | 119.4 | ||||
| 625 | G | 35.3 | Very low | 37.5 | Very low | 76 Ų | 76 | 119.8 Ų | 119.8 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | 37.6 | 139.7 | 133.9 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 626 | E | 35.2 | Very low | 37.3 | Very low | 176 Ų | 176 | 127.6 Ų | 127.6 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -101.5 | 120.5 | 153.8 | -63.1 | -154 | 116.9 | 0 | 0 | 108.3 | ||||
| 627 | R | 40 | Very low | 37.3 | Very low | 218 Ų | 218 | 126.6 Ų | 126.6 | 82% | 0.823 | 77% | 0.772 | S | S | * | * | 69.1 | 100.6 | 74.8 | -168.8 | -167.5 | -55.8 | -154 | 4.6 | 111 | |||||
| 628 | G | 37.1 | Very low | 37.4 | Very low | 68 Ų | 68 | 127.9 Ų | 127.9 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 148.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 629 | T | 38 | Very low | 37.6 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 137.8 | 169.4 | 37 | 0 | 0 | 0 | 0 | 109.8 | ||
| 630 | P | 37.8 | Very low | 37.6 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 144.4 | 178.9 | -24.6 | 34.5 | 0 | 0 | 0 | 112.1 | ||
| 631 | G | 37.8 | Very low | 37.6 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 150.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 632 | A | 39.5 | Very low | 38 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 131.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109 | G634 | A632-G634 PolarHBondContact O-N 2.67Š|
| 633 | P | 37.7 | Very low | 38.2 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 135.2 | 177.4 | 26.3 | -33.6 | 0 | 0 | 0 | 110.2 | ||
| 634 | G | 35.1 | Very low | 38.8 | Very low | 74 Ų | 74 | 129 Ų | 129 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | -93.9 | -173.8 | -166 | 0 | 0 | 0 | 0 | 0 | 115.8 | A632 | A632-G634 PolarHBondContact O-N 2.67Š| ||
| 635 | L | 35.9 | Very low | 39.4 | Very low | 189 Ų | 189 | 126.7 Ų | 126.7 | 99% | 0.99 | 80% | 0.796 | S | S | * | * | trans | -107.5 | 158.4 | 156.2 | -80.7 | 169.7 | 0 | 0 | 0 | 109.9 | ||||
| 636 | R | 34.3 | Very low | 40 | Very low | 246 Ų | 246 | 126.4 Ų | 126.4 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | trans | -124 | 125.7 | -148.7 | 173.6 | -174.9 | 173.2 | -168.1 | -1.3 | 114.2 | ||||
| 637 | G | 39 | Very low | 40.3 | Very low | 65 Ų | 65 | 123.2 Ų | 123.2 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | trans | 77.4 | 177.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 638 | P | 46.9 | Very low | 40.8 | Very low | 121 Ų | 121 | 119 Ų | 119 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | cis | -88.9 | 162.9 | -10.4 | 41.2 | -36 | 0 | 0 | 0 | 110.4 | ||||
| 639 | V | 42.4 | Very low | 41.3 | Very low | 142 Ų | 142 | 119 Ų | 119 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | 57.4 | 121.8 | 56 | -169.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 640 | G | 36.7 | Very low | 41.6 | Very low | 59 Ų | 59 | 120.7 Ų | 120.7 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | cis | 159.8 | 92.1 | -13.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 641 | D | 42.9 | Very low | 42.2 | Very low | 159 Ų | 159 | 120.8 Ų | 120.8 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -148.7 | 145.8 | 179.7 | -72.4 | -68.4 | 0 | 0 | 0 | 108.4 | ||||
| 642 | T | 46 | Very low | 42.6 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | cis | -138.8 | 148.6 | -14.4 | -62.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 643 | G | 43.6 | Very low | 42.5 | Very low | 67 Ų | 67 | 124.8 Ų | 124.8 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | -70.4 | 140.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 644 | L | 41.7 | Very low | 43 | Very low | 169 Ų | 169 | 124.5 Ų | 124.5 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -95.6 | 112.6 | 163.7 | -80.7 | 172.1 | 0 | 0 | 0 | 109.7 | ||||
| 645 | D | 44.4 | Very low | 43.4 | Very low | 150 Ų | 150 | 124.6 Ų | 124.6 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | 10.1 | 108.7 | 162.6 | -54.5 | -33.6 | 0 | 0 | 0 | 117.7 | ||||
| 646 | G | 47.2 | Very low | 43.9 | Very low | 70 Ų | 70 | 125.3 Ų | 125.3 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 140.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 647 | S | 42.3 | Very low | 44 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 132.2 | 168.6 | 54.8 | 0 | 0 | 0 | 0 | 110.2 | G649 | S647-G649 PolarHBondContact O-N 3.4Š|
| 648 | P | 51.2 | Low | 44.2 | Very low | 129 Ų | 129 | 124 Ų | 124 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 133.7 | -176.6 | -29.1 | 35.2 | 0 | 0 | 0 | 113.1 | ||
| 649 | G | 48 | Very low | 44.1 | Very low | 68 Ų | 68 | 127.3 Ų | 127.3 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62 | 145.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | S647 | S647-G649 PolarHBondContact O-N 3.4Š|
| 650 | L | 44 | Very low | 43.9 | Very low | 172 Ų | 172 | 130.1 Ų | 130.1 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 132.1 | 168.7 | -77.7 | 166.9 | 0 | 0 | 0 | 108.9 | G652 | L650-G652 PolarHBondContact O-N 2.8Š|
| 651 | P | 50.7 | Low | 44.1 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 125.2 | -179.5 | -29.5 | 36 | 0 | 0 | 0 | 112 | ||
| 652 | G | 44.9 | Very low | 43.9 | Very low | 66 Ų | 66 | 129.9 Ų | 129.9 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 143 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L650 P654 | L650-G652 PolarHBondContact O-N 2.8Å; G652-P654 VanDerWaalsContact O-CD 3.26Å; G652-P654 WeakPolarHBondContact O-CD 3.35Å |
| 653 | M | 36.9 | Very low | 43.4 | Very low | 183 Ų | 183 | 130.9 Ų | 130.9 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 119.2 | -174.7 | -58.9 | 178.4 | 77.9 | 0 | 0 | 111.3 | G655 | M653-G655 PolarHBondContact O-N 3.44Š|
| 654 | P | 48.7 | Very low | 43.1 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 129.9 | 169.5 | -22 | 35.1 | 0 | 0 | 0 | 109.9 | G652 | G652-P654 VanDerWaalsContact O-CD 3.26Å; G652-P654 WeakPolarHBondContact O-CD 3.35Å |
| 655 | G | 43.6 | Very low | 42.8 | Very low | 76 Ų | 76 | 126.3 Ų | 126.3 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74 | 158.3 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | M653 K657 | M653-G655 PolarHBondContact O-N 3.44Å; G655-K657 PolarHBondContact O-N 3.37Å |
| 656 | Q | 47.2 | Very low | 42.4 | Very low | 203 Ų | 203 | 130.8 Ų | 130.8 | 95% | 0.949 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 125 | 173 | -70 | 178.9 | -22 | 0 | 0 | 112.1 | ||
| 657 | K | 36.4 | Very low | 41.9 | Very low | 213 Ų | 213 | 131.5 Ų | 131.5 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | trans | -163 | 130.1 | 155.2 | -159.7 | 174.9 | -176 | -178.7 | 0 | 109.1 | G655 | G655-K657 PolarHBondContact O-N 3.37Š| ||
| 658 | G | 43.5 | Very low | 41.6 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | cis | -169.3 | 170.5 | -7.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 659 | E | 44.7 | Very low | 40.8 | Very low | 191 Ų | 191 | 136.9 Ų | 136.9 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -80.6 | 128.9 | -178.2 | -61.9 | 179.1 | 118.7 | 0 | 0 | 113 | ||||
| 660 | Q | 36.7 | Very low | 40.3 | Very low | 202 Ų | 202 | 137.2 Ų | 137.2 | 94% | 0.944 | 82% | 0.82 | S | S | * | * | trans | -179.2 | 150 | 142.7 | -100.2 | 160.3 | 34.1 | 0 | 0 | 108.9 | ||||
| 661 | G | 40.8 | Very low | 40.4 | Very low | 70 Ų | 70 | 139.4 Ų | 139.4 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | cis | -129.6 | -175.5 | 2.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 662 | V | 39.7 | Very low | 39.6 | Very low | 143 Ų | 143 | 139 Ų | 139 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -127.4 | 168.5 | -170.6 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 663 | V | 35 | Very low | 39.1 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 87% | 0.873 | 81% | 0.81 | S | S | * | * | trans | 90.5 | 123.9 | 174.2 | -170.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 664 | G | 37.1 | Very low | 38.8 | Very low | 73 Ų | 73 | 138.2 Ų | 138.2 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | cis | -168.3 | -178.9 | -2.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 665 | G | 36.5 | Very low | 38.2 | Very low | 67 Ų | 67 | 140.3 Ų | 140.3 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | cis | 134.8 | 115.5 | -4.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 666 | R | 36.3 | Very low | 37.8 | Very low | 243 Ų | 243 | 139.9 Ų | 139.9 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | 71.6 | 162.9 | -177.6 | -44 | 167.3 | 172.4 | 174 | -2.2 | 111.5 | ||||
| 667 | A | 36.2 | Very low | 37.6 | Very low | 86 Ų | 86 | 139.4 Ų | 139.4 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | cis | -158.1 | 167.7 | 8.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 668 | K | 35.6 | Very low | 37.9 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | cis | -164.6 | 149.4 | -12.7 | -119.9 | 170.5 | -169 | 173.7 | 0 | 109.7 | ||||
| 669 | H | 33.9 | Very low | 37.5 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -8.6 | 141.6 | 145.8 | -47.8 | -35.6 | 0 | 0 | 0 | 120.7 | ||||
| 670 | G | 38.4 | Very low | 36.9 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 173.9 | 121.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 671 | R | 46.1 | Very low | 36.9 | Very low | 218 Ų | 218 | 136.1 Ų | 136.1 | 82% | 0.823 | 80% | 0.795 | S | S | * | * | cis | -136 | 143.9 | -5.9 | -85.6 | -170.3 | 172.2 | -171.6 | -0.8 | 107.8 | ||||
| 672 | M | 33.7 | Very low | 36.6 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 57% | 0.567 | 79% | 0.789 | S | S | * | * | 47.9 | 133.9 | 81 | -51.6 | -163.1 | -54.5 | 0 | 0 | 112.5 | K674 | M672-K674 HydrophobicContact SD-CD 3.81Å; M672-K674 PolarHBondContact SD-NZ 3.02Å; M672-K674 VanDerWaalsContact SD-NZ 3.37Å | |||
| 673 | G | 34.8 | Very low | 36.4 | Very low | 76 Ų | 76 | 137.2 Ų | 137.2 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | cis | 105.7 | 170.2 | 37.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 674 | K | 30.9 | Very low | 36.6 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | cis | -174.3 | -174.6 | 25.6 | -124.6 | 178.4 | -179.6 | 179 | 0 | 108.7 | M672 | M672-K674 HydrophobicContact SD-CD 3.81Å; M672-K674 PolarHBondContact SD-NZ 3.02Å; M672-K674 VanDerWaalsContact SD-NZ 3.37Å | ||
| 675 | I | 34.8 | Very low | 36.4 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | 78.6 | 141.2 | 164.8 | -58.3 | 129.6 | 0 | 0 | 0 | 113.8 | ||||
| 676 | G | 36.2 | Very low | 36.3 | Very low | 67 Ų | 67 | 139.2 Ų | 139.2 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | cis | -138.3 | 152 | 10.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 677 | Q | 42.7 | Very low | 36.4 | Very low | 193 Ų | 193 | 132.6 Ų | 132.6 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | -87.3 | -178.3 | 157.4 | -54 | 160.6 | -61.1 | 0 | 0 | 107.8 | ||||
| 678 | P | 41.4 | Very low | 36.4 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | cis | -127 | -171.4 | -7.5 | 40.9 | -24.7 | 0 | 0 | 0 | 113 | ||||
| 679 | G | 36.6 | Very low | 36.8 | Very low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | trans | -161.9 | 147.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 680 | M | 31.7 | Very low | 36.8 | Very low | 197 Ų | 197 | 128.4 Ų | 128.4 | 97% | 0.97 | 77% | 0.766 | S | S | * | * | trans | -118.2 | 175.4 | -176.1 | -72.4 | 175.2 | 63.7 | 0 | 0 | 112.5 | ||||
| 681 | K | 36.4 | Very low | 36.8 | Very low | 203 Ų | 203 | 132.8 Ų | 132.8 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -72.1 | 136.7 | -164.2 | -178.7 | -167.3 | 174.8 | -163.8 | 0 | 115.9 | ||||
| 682 | G | 35.6 | Very low | 36.8 | Very low | 59 Ų | 59 | 128.4 Ų | 128.4 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | trans | 172.1 | 118.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 683 | E | 33.7 | Very low | 36.8 | Very low | 178 Ų | 178 | 126.1 Ų | 126.1 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | 68.9 | 140.7 | 79.3 | -72.2 | -175.6 | -175.7 | 0 | 0 | 114.7 | |||||
| 684 | P | 40.2 | Very low | 36.7 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | cis | -135.1 | 168.9 | -38.9 | 39.4 | -24.5 | 0 | 0 | 0 | 114 | ||||
| 685 | G | 33.1 | Very low | 37.2 | Very low | 65 Ų | 65 | 129.2 Ų | 129.2 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | trans | 81.1 | 157.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 686 | D | 33.4 | Very low | 37.3 | Very low | 139 Ų | 139 | 123.4 Ų | 123.4 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | cis | -155 | 160.5 | -10.3 | -110.2 | -37.9 | 0 | 0 | 0 | 111.7 | ||||
| 687 | S | 39.7 | Very low | 37 | Very low | 103 Ų | 103 | 124 Ų | 124 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | 70.1 | 121.2 | 168.4 | -58.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 688 | F | 35.7 | Very low | 36.3 | Very low | 173 Ų | 173 | 122.5 Ų | 122.5 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | cis | -162.8 | 159.3 | -43.1 | -99.4 | -45.7 | 0 | 0 | 0 | 107.6 | ||||
| 689 | P | 43.6 | Very low | 36.7 | Very low | 116 Ų | 116 | 118.4 Ų | 118.4 | 75% | 0.753 | 74% | 0.744 | S | S | * | * | trans | -143.4 | -163.8 | -130.1 | 39.5 | -16.2 | 0 | 0 | 0 | 115.1 | ||||
| 690 | G | 33.5 | Very low | 36.5 | Very low | 61 Ų | 61 | 117.3 Ų | 117.3 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | trans | 81.8 | 121.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 691 | L | 38.5 | Very low | 36.6 | Very low | 166 Ų | 166 | 112.3 Ų | 112.3 | 87% | 0.869 | 70% | 0.698 | S | S | * | * | cis | 64.6 | 155.4 | 31.1 | -47.8 | 172.6 | 0 | 0 | 0 | 114.3 | ||||
| 692 | P | 47.7 | Very low | 37 | Very low | 126 Ų | 126 | 105.6 Ų | 105.6 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | cis | -138.1 | -173.7 | -47.6 | 39.4 | -24 | 0 | 0 | 0 | 111.9 | ||||
| 693 | G | 33.4 | Very low | 36.9 | Very low | 67 Ų | 67 | 108.1 Ų | 108.1 | 69% | 0.691 | 68% | 0.682 | S | S | * | * | trans | 161.3 | 110.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 694 | I | 31.3 | Very low | 37 | Very low | 180 Ų | 180 | 104.6 Ų | 104.6 | 92% | 0.923 | 68% | 0.675 | S | S | * | * | trans | 16.5 | 148.6 | 138.8 | 25.2 | 172.7 | 0 | 0 | 0 | 122.8 | ||||
| 695 | S | 42.7 | Very low | 37 | Very low | 119 Ų | 119 | 102.3 Ų | 102.3 | 83% | 0.832 | 67% | 0.673 | S | S | * | * | trans | -83 | 140.6 | 177 | 40.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 696 | G | 37.1 | Very low | 37 | Very low | 50 Ų | 50 | 108.8 Ų | 108.8 | 52% | 0.515 | 68% | 0.677 | S | S | . | * | trans | 175.3 | 141.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | I612 | I612-G696 VanDerWaalsContact CG2-O 3.28Å; I612-G696 WeakPolarHBondContact CG2-O 3.38Å | ||
| 697 | A | 29.7 | Very low | 37.2 | Very low | 79 Ų | 79 | 108 Ų | 108 | 65% | 0.653 | 68% | 0.68 | S | S | * | * | trans | 16.3 | 109.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 124.2 | I612 | I612-A697 VanDerWaalsContact CG2-CA 3.48Š| ||
| 698 | K | 28.1 | Very low | 37 | Very low | 162 Ų | 162 | 106.4 Ų | 106.4 | 70% | 0.704 | 68% | 0.679 | S | S | * | * | 67.6 | 138.2 | 125 | -148.1 | 176.1 | -168.8 | 177.8 | 0 | 121.2 | I612 A613 | I612-K698 HydrophobicContact CD1-CB 4.22Å; I612-K698 VanDerWaalsContact CD1-N 3.32Å; I612-K698 VanDerWaalsContact CG1-N 3.35Å; A613-K698 CarbonylContact O-C 3.43Å | |||
| 699 | G | 49.5 | Very low | 37 | Very low | 48 Ų | 48 | 104 Ų | 104 | 50% | 0.495 | 67% | 0.672 | S | S | . | * | trans | -72.2 | 174.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 700 | A | 32.7 | Very low | 36.8 | Very low | 50 Ų | 50 | 106 Ų | 106 | 41% | 0.413 | 68% | 0.676 | S | S | . | * | trans | 74.6 | 141.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | V614 S616 L617 | V614-A700 WeakPolarHBondContact CG1-O 3.4Å; S616-A700 CarbonylContact C-O 3.55Å; L617-A700 HydrophobicContact CD1-CB 3.87Å; L617-A700 HydrophobicContact CD2-CB 3.93Å; L617-A700 HydrophobicContact CG-CB 3.74Å | ||
| 701 | R | 32.4 | Very low | 37.4 | Very low | 93 Ų | 93 | 106.5 Ų | 106.5 | 35% | 0.351 | 68% | 0.681 | S | S | . | * | cis | -136.4 | 172.5 | 26.9 | -154 | -161.7 | -142.4 | 154.2 | 10.8 | 113 | S616 L617 P618 E703 | S616-R701 WeakPolarHBondContact O-CB 3.07Å; S616-R701 PolarHBondContact O-N 3.28Å; L617-R701 HydrophobicContact CD2-CB 4.01Å; L617-R701 HydrophobicContact CD2-CG 3.79Å; L617-R701 HydrophobicContact CG-CB 4.16Å; L617-R701 HydrophobicContact CG-CG 4.48Å; P618-R701 VanDerWaalsContact C-NH2 3.35Å; P618-R701 PolarHBondContact O-NH1 3.35Å; P618-R701 PolarHBondContact O-NH2 3.46Å; R701-E703 VanDerWaalsContact CD-OE1 3.3Å; R701-E703 WeakPolarHBondContact CD-OE1 3.39Å; R701-E703 IonicContact CZ-OE1 3.83Å; R701-E703 IonicContact NE-OE1 2.78Å; R701-E703 PolarHBondContact NE-OE1 2.68Å; R701-E703 VanDerWaalsContact NE-OE1 3.14Å; R701-E703 IonicContact NH1-OE1 2.68Å; R701-E703 PolarHBondContact NH1-OE1 2.62Å; R701-E703 IonicContact NH1-OE2 3.58Å; R701-E703 IonicContact NH2-OE1 3.27Å | ||
| 702 | G | 45.4 | Very low | 37.6 | Very low | 61 Ų | 61 | 104.4 Ų | 104.4 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | trans | -110.2 | 147.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 703 | E | 33.2 | Very low | 37.3 | Very low | 112 Ų | 112 | 105.4 Ų | 105.4 | 52% | 0.523 | 68% | 0.681 | S | S | . | * | trans | -165.7 | 167.3 | 173.2 | -121.9 | 159.3 | -131.3 | 0 | 0 | 109.1 | R701 R1128 | R701-E703 VanDerWaalsContact CD-OE1 3.3Å; R701-E703 WeakPolarHBondContact CD-OE1 3.39Å; R701-E703 IonicContact CZ-OE1 3.83Å; R701-E703 IonicContact NE-OE1 2.78Å; R701-E703 PolarHBondContact NE-OE1 2.68Å; R701-E703 VanDerWaalsContact NE-OE1 3.14Å; R701-E703 IonicContact NH1-OE1 2.68Å; R701-E703 PolarHBondContact NH1-OE1 2.62Å; R701-E703 IonicContact NH1-OE2 3.58Å; R701-E703 IonicContact NH2-OE1 3.27Å; E703-R1128 VanDerWaalsContact O-CZ 3.29Å; E703-R1128 PolarHBondContact O-NH1 3.1Å; E703-R1128 PolarHBondContact O-NH2 3.27Å | ||
| 704 | P | 36.7 | Very low | 37.6 | Very low | 105 Ų | 105 | 105.4 Ų | 105.4 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | cis | -111 | 171.9 | -17 | 28.8 | -11.1 | 0 | 0 | 0 | 112.3 | ||||
| 705 | G | 38.7 | Very low | 38 | Very low | 73 Ų | 73 | 105.2 Ų | 105.2 | 75% | 0.753 | 68% | 0.681 | S | S | * | * | trans | -95.4 | 166.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 706 | R | 33.6 | Very low | 37.7 | Very low | 202 Ų | 202 | 105.3 Ų | 105.3 | 76% | 0.762 | 68% | 0.679 | S | S | * | * | trans | -123.1 | 148.8 | 155.2 | -91.4 | -167.8 | 169.8 | -158 | -3.4 | 108.6 | ||||
| 707 | P | 38 | Very low | 38.2 | Very low | 123 Ų | 123 | 106.2 Ų | 106.2 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | trans | -116.3 | 173.2 | -131.4 | 12.9 | 10 | 0 | 0 | 0 | 115.1 | ||||
| 708 | G | 36.2 | Very low | 38.7 | Very low | 69 Ų | 69 | 107.8 Ų | 107.8 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | trans | 87 | 146 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 709 | M | 34.8 | Very low | 38.9 | Very low | 121 Ų | 121 | 109.4 Ų | 109.4 | 60% | 0.596 | 70% | 0.702 | S | S | * | * | cis | -117.8 | 169.4 | 8.3 | -55.4 | -178 | 76.5 | 0 | 0 | 112.1 | P1135 L1137 | M709-P1135 HydrophobicContact SD-CB 4.19Å; M709-P1135 HydrophobicContact SD-CG 4.11Å; M709-L1137 HydrophobicContact CE-CD1 3.69Å; M709-L1137 HydrophobicContact SD-CD1 4.24Å | ||
| 710 | D | 38.9 | Very low | 38.9 | Very low | 160 Ų | 160 | 111.6 Ų | 111.6 | 86% | 0.856 | 72% | 0.715 | S | S | * | * | trans | -84.7 | 169.7 | -161.6 | -51.8 | -84.5 | 0 | 0 | 0 | 116.2 | ||||
| 711 | G | 47.3 | Very low | 39.4 | Very low | 71 Ų | 71 | 115.6 Ų | 115.6 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | trans | -86 | -176.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 712 | P | 41.3 | Very low | 39.4 | Very low | 122 Ų | 122 | 118.4 Ų | 118.4 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | -127.4 | 133.1 | 101.7 | 34.9 | -28.4 | 0 | 0 | 0 | 112 | |||||
| 713 | V | 42.4 | Very low | 38.9 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | 57.5 | 113.3 | 84.6 | -177.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 714 | G | 40.3 | Very low | 38.9 | Very low | 66 Ų | 66 | 126.5 Ų | 126.5 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | trans | -122.3 | -167.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 715 | L | 39 | Very low | 38.8 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 93% | 0.927 | 78% | 0.78 | S | S | * | * | trans | -136.7 | 159.4 | 176.8 | -75.2 | 178.3 | 0 | 0 | 0 | 112 | ||||
| 716 | P | 37.5 | Very low | 38.3 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -104.9 | 171.7 | -153 | 4.9 | 18.1 | 0 | 0 | 0 | 114.9 | ||||
| 717 | G | 46.7 | Very low | 38.4 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -95.5 | 174.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 718 | P | 40.8 | Very low | 38.2 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -137.2 | 129.2 | 138.5 | 37 | -23.8 | 0 | 0 | 0 | 111.9 | ||||
| 719 | E | 30.8 | Very low | 38.4 | Very low | 196 Ų | 196 | 131.9 Ų | 131.9 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | 98.2 | 155.6 | 91.9 | -76.1 | -173.8 | 169.7 | 0 | 0 | 114.2 | |||||
| 720 | A | 49.8 | Very low | 38.6 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -157 | 134 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 721 | P | 43.6 | Very low | 38.4 | Very low | 133 Ų | 133 | 130 Ų | 130 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -119.3 | 117 | 178.7 | 35.2 | -22.4 | 0 | 0 | 0 | 116.4 | ||||
| 722 | I | 33.2 | Very low | 38.1 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -33.7 | 139.4 | 157.3 | -22.9 | 174.3 | 0 | 0 | 0 | 116.7 | ||||
| 723 | R | 34.5 | Very low | 38.1 | Very low | 201 Ų | 201 | 130.2 Ų | 130.2 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | 167.1 | 134.7 | 111.9 | -90.6 | -177 | -173.6 | -102.7 | 2.7 | 117.4 | |||||
| 724 | E | 32.2 | Very low | 38.1 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 66% | 0.659 | 80% | 0.797 | S | S | * | * | trans | 28.2 | 131.1 | 136.3 | -56 | 166.3 | 119.9 | 0 | 0 | 123.2 | ||||
| 725 | I | 34.7 | Very low | 38.3 | Very low | 176 Ų | 176 | 138.2 Ų | 138.2 | 90% | 0.903 | 80% | 0.804 | S | S | * | * | 174.6 | 159.5 | 113.4 | -88.6 | 162.7 | 0 | 0 | 0 | 110.4 | |||||
| 726 | K | 29.4 | Very low | 38.4 | Very low | 209 Ų | 209 | 133.4 Ų | 133.4 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -126.1 | 110.2 | -171.2 | -180 | -175.9 | -178.4 | -178.8 | 0 | 112 | ||||
| 727 | G | 36 | Very low | 38.3 | Very low | 76 Ų | 76 | 135.8 Ų | 135.8 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | 170 | 95.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 728 | V | 32.2 | Very low | 38.2 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -37.6 | 172.3 | 160.5 | -88.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 729 | P | 40.6 | Very low | 38.7 | Very low | 82 Ų | 82 | 138.4 Ų | 138.4 | 53% | 0.532 | 81% | 0.807 | S | S | . | * | cis | -142.2 | 154.5 | -10 | 30.5 | -8.7 | 0 | 0 | 0 | 118.8 | F11 | F11-P729 HydrophobicContact CD2-CG 4.18Å; F11-P729 HydrophobicContact CE2-CB 4.46Å; F11-P729 HydrophobicContact CE2-CG 3.65Å; F11-P729 HydrophobicContact CZ-CG 3.94Å | ||
| 730 | G | 38.9 | Very low | 39.5 | Very low | 74 Ų | 74 | 135.3 Ų | 135.3 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | 72.1 | 165 | 147.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 731 | L | 35.5 | Very low | 39 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | cis | -165.9 | -175.4 | -6.7 | -103.4 | 171.2 | 0 | 0 | 0 | 107.7 | ||||
| 732 | P | 40.1 | Very low | 39.4 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | -98.7 | 172.5 | -89.7 | 37.3 | -19.5 | 0 | 0 | 0 | 115.1 | |||||
| 733 | G | 42.3 | Very low | 39.8 | Very low | 73 Ų | 73 | 139.3 Ų | 139.3 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -115.3 | 177.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 734 | R | 41.6 | Very low | 40.9 | Very low | 254 Ų | 254 | 136.1 Ų | 136.1 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | trans | -151.7 | 163.8 | 165.1 | -93.8 | -150.6 | 170.4 | -160.2 | -3.8 | 111.9 | ||||
| 735 | P | 44.5 | Very low | 41.9 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -122.9 | 173.7 | -142.9 | 42.8 | -32.4 | 0 | 0 | 0 | 116.7 | ||||
| 736 | G | 41.3 | Very low | 42.3 | Very low | 77 Ų | 77 | 131.8 Ų | 131.8 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -160.8 | 134.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 737 | L | 35.4 | Very low | 43.4 | Very low | 170 Ų | 170 | 127.6 Ų | 127.6 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -81.9 | 152.5 | -171.4 | -70.1 | 157.5 | 0 | 0 | 0 | 113.9 | ||||
| 738 | I | 45.3 | Very low | 44.3 | Very low | 173 Ų | 173 | 127.3 Ų | 127.3 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | -159.6 | 156.4 | 112 | -101.7 | 163.9 | 0 | 0 | 0 | 110.2 | |||||
| 739 | G | 50.9 | Low | 44.8 | Very low | 63 Ų | 63 | 128.6 Ų | 128.6 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | trans | -83.3 | -176.5 | -162.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 740 | P | 46.6 | Very low | 45.4 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -93.9 | 170.7 | -160.8 | 37.7 | -38.1 | 0 | 0 | 0 | 114.9 | ||||
| 741 | K | 39.8 | Very low | 46.1 | Very low | 211 Ų | 211 | 130.9 Ų | 130.9 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | trans | -117.6 | 128.4 | 151.2 | -167.2 | 170.6 | -177 | 177.3 | 0 | 108.5 | ||||
| 742 | G | 52.5 | Low | 46.2 | Very low | 68 Ų | 68 | 132.4 Ų | 132.4 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | trans | -82.5 | 175.1 | -163.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 743 | E | 41.4 | Very low | 46.3 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -64 | 142.8 | 178.4 | -58.2 | 174.7 | 141.9 | 0 | 0 | 112.1 | G745 | E743-G745 PolarHBondContact O-N 3.24Š| ||
| 744 | P | 57.4 | Low | 46.6 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | trans | -64.7 | 102.6 | 163.8 | -18.3 | 32.3 | 0 | 0 | 0 | 109.7 | ||||
| 745 | G | 53.5 | Low | 46.3 | Very low | 64 Ų | 64 | 131 Ų | 131 | 66% | 0.66 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 146.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E743 | E743-G745 PolarHBondContact O-N 3.24Š|
| 746 | I | 42.2 | Very low | 46.5 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 130.2 | 171.2 | -57.7 | 173 | 0 | 0 | 0 | 108.4 | G748 | I746-G748 PolarHBondContact O-N 2.75Å; I746-G748 VanDerWaalsContact O-N 3.13Å |
| 747 | P | 53.5 | Low | 46.4 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 119.3 | 179.1 | -27.8 | 35.8 | 0 | 0 | 0 | 112.1 | ||
| 748 | G | 55.4 | Low | 46.4 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 147.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I746 | I746-G748 PolarHBondContact O-N 2.75Å; I746-G748 VanDerWaalsContact O-N 3.13Å |
| 749 | L | 41.6 | Very low | 46.4 | Very low | 171 Ų | 171 | 128.1 Ų | 128.1 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 144 | 170.1 | -74.8 | 166.6 | 0 | 0 | 0 | 109.9 | G751 | L749-G751 PolarHBondContact O-N 3.41Š|
| 750 | P | 53.7 | Low | 45.8 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 128.9 | -173.7 | -26.9 | 35.4 | 0 | 0 | 0 | 112.9 | ||
| 751 | G | 53.4 | Low | 45.4 | Very low | 76 Ų | 76 | 129.9 Ų | 129.9 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 140.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L749 | L749-G751 PolarHBondContact O-N 3.41Š|
| 752 | E | 37.2 | Very low | 45.4 | Very low | 201 Ų | 201 | 125.6 Ų | 125.6 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 147.6 | 167.9 | -70.8 | -157.7 | 133.9 | 0 | 0 | 111.3 | G754 | E752-G754 PolarHBondContact O-N 2.77Š|
| 753 | R | 42.2 | Very low | 44.9 | Very low | 242 Ų | 242 | 126.4 Ų | 126.4 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | trans | -68.4 | 112.4 | -168.2 | 178.3 | -178.7 | -65.8 | 164.1 | 0.7 | 111.6 | S755 | R753-S755 PolarHBondContact O-N 3.26Š| ||
| 754 | G | 49.1 | Very low | 44.7 | Very low | 63 Ų | 63 | 122.5 Ų | 122.5 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 131.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | E752 | E752-G754 PolarHBondContact O-N 2.77Š|
| 755 | S | 35.9 | Very low | 44.2 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 147 | 169.9 | 42.5 | 0 | 0 | 0 | 0 | 110.4 | R753 | R753-S755 PolarHBondContact O-N 3.26Š|
| 756 | P | 47.7 | Very low | 44.1 | Very low | 133 Ų | 133 | 123.7 Ų | 123.7 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -86 | 143.6 | -147.9 | -14.7 | 32 | 0 | 0 | 0 | 115.2 | ||
| 757 | G | 39.8 | Very low | 44.5 | Very low | 67 Ų | 67 | 121.2 Ų | 121.2 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | -155 | 126.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 758 | L | 35.9 | Very low | 43.6 | Very low | 159 Ų | 159 | 121 Ų | 121 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | cis | -133 | 162 | -12.5 | -75.7 | 97.4 | 0 | 0 | 0 | 109.2 | G760 | L758-G760 PolarHBondContact O-N 2.84Š| ||
| 759 | P | 45.2 | Very low | 42.6 | Very low | 128 Ų | 128 | 120.8 Ų | 120.8 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | -56.7 | 121.2 | 163 | -20.4 | 33.1 | 0 | 0 | 0 | 109.7 | ||||
| 760 | G | 38.9 | Very low | 42 | Very low | 68 Ų | 68 | 122 Ų | 122 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -79.5 | 135.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L758 | L758-G760 PolarHBondContact O-N 2.84Š| ||
| 761 | L | 36.6 | Very low | 41.4 | Very low | 164 Ų | 164 | 121.8 Ų | 121.8 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | trans | -118 | 112.2 | 143.8 | -72.9 | 173.6 | 0 | 0 | 0 | 105.7 | ||||
| 762 | T | 41.1 | Very low | 40.8 | Very low | 121 Ų | 121 | 121.4 Ų | 121.4 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | 71.6 | 110 | 83.8 | -60 | 0 | 0 | 0 | 0 | 109.9 | S764 | T762-S764 PolarHBondContact O-N 3.15Š| |||
| 763 | G | 41.5 | Very low | 40.3 | Very low | 84 Ų | 84 | 121.8 Ų | 121.8 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | -66.4 | 117.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 764 | S | 38 | Very low | 40.2 | Very low | 103 Ų | 103 | 118.6 Ų | 118.6 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -105.4 | 99.8 | 165.6 | 59.5 | 0 | 0 | 0 | 0 | 110.5 | T762 | T762-S764 PolarHBondContact O-N 3.15Š| ||
| 765 | I | 46 | Very low | 39.8 | Very low | 152 Ų | 152 | 118.6 Ų | 118.6 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | 49.7 | 105 | 140.8 | -51.8 | 158.2 | 0 | 0 | 0 | 116.8 | ||||
| 766 | G | 51.9 | Low | 39.8 | Very low | 70 Ų | 70 | 121.1 Ų | 121.1 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | -100.8 | 166.8 | 119.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 767 | P | 50.4 | Low | 39.7 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | cis | -107.6 | -166.9 | 0.6 | 39.6 | -27.1 | 0 | 0 | 0 | 111.7 | ||||
| 768 | P | 33.8 | Very low | 39.7 | Very low | 117 Ų | 117 | 120.9 Ų | 120.9 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | -135.6 | 165.4 | 90.9 | 38.3 | -27.3 | 0 | 0 | 0 | 114 | |||||
| 769 | G | 34.8 | Very low | 40 | Very low | 64 Ų | 64 | 119 Ų | 119 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 160.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | P771 | G769-P771 VanDerWaalsContact O-CD 3.25Å; G769-P771 WeakPolarHBondContact O-CD 3.42Å |
| 770 | E | 28.9 | Very low | 39.7 | Very low | 198 Ų | 198 | 122.1 Ų | 122.1 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 121.5 | -175.6 | -63.3 | -178.1 | 128.1 | 0 | 0 | 113.2 | ||
| 771 | P | 41.3 | Very low | 39.7 | Very low | 121 Ų | 121 | 122 Ų | 122 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 142.7 | 153.3 | -6 | 26.3 | 0 | 0 | 0 | 108.8 | G769 | G769-P771 VanDerWaalsContact O-CD 3.25Å; G769-P771 WeakPolarHBondContact O-CD 3.42Å |
| 772 | G | 39.7 | Very low | 39.8 | Very low | 69 Ų | 69 | 120.3 Ų | 120.3 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 152.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 773 | F | 28.5 | Very low | 39.8 | Very low | 209 Ų | 209 | 123.2 Ų | 123.2 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | 43 | 147.3 | 142.1 | -88.9 | -92.4 | 0 | 0 | 0 | 122.3 | ||||
| 774 | I | 39.1 | Very low | 39.6 | Very low | 175 Ų | 175 | 122.4 Ų | 122.4 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | trans | 80.3 | 111.1 | 174.6 | -48.3 | 163.9 | 0 | 0 | 0 | 113.8 | ||||
| 775 | G | 41.7 | Very low | 39.7 | Very low | 62 Ų | 62 | 125.8 Ų | 125.8 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | cis | 164 | 137.9 | -14.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 776 | L | 34.5 | Very low | 39.6 | Very low | 168 Ų | 168 | 124.1 Ų | 124.1 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | trans | 52.4 | 162.5 | 139.8 | -66.7 | 162.2 | 0 | 0 | 0 | 121 | ||||
| 777 | P | 46.1 | Very low | 39 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | cis | -119.6 | 172.8 | -4.9 | 40.5 | -27.5 | 0 | 0 | 0 | 113.4 | ||||
| 778 | G | 40.7 | Very low | 38.6 | Very low | 67 Ų | 67 | 127.2 Ų | 127.2 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | cis | 149.2 | 137.2 | -9.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 779 | S | 40.6 | Very low | 38.8 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -149.6 | 138 | 160.4 | 53.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 780 | H | 39 | Very low | 38.8 | Very low | 194 Ų | 194 | 127.9 Ų | 127.9 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | -58.6 | 150.5 | 179.9 | -55.1 | 78.8 | 0 | 0 | 0 | 111.3 | ||||
| 781 | G | 38.7 | Very low | 39.2 | Very low | 67 Ų | 67 | 126.1 Ų | 126.1 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | cis | 102.9 | 124.2 | 27.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 782 | P | 39.5 | Very low | 39.3 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | -150.4 | 160.4 | 84.9 | 40.4 | -23.5 | 0 | 0 | 0 | 117.8 | |||||
| 783 | K | 42 | Very low | 39.2 | Very low | 181 Ų | 181 | 126.3 Ų | 126.3 | 79% | 0.787 | 80% | 0.796 | S | S | * | * | trans | 48.2 | 116.4 | 141.3 | -163.4 | -177.6 | -178.1 | -162.3 | 0 | 120.1 | ||||
| 784 | G | 37.1 | Very low | 39.5 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | -93.5 | 171.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 785 | E | 39.3 | Very low | 39.6 | Very low | 174 Ų | 174 | 125.6 Ų | 125.6 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -117.8 | 133.9 | 179 | -61 | -160.6 | 128 | 0 | 0 | 112 | ||||
| 786 | P | 42.9 | Very low | 39.4 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -69 | 156.1 | 170.2 | -18 | 32.3 | 0 | 0 | 0 | 112.3 | L788 | P786-L788 PolarHBondContact O-N 3.19Š| ||
| 787 | G | 40.9 | Very low | 39.7 | Very low | 86 Ų | 86 | 126.9 Ų | 126.9 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -61.4 | 131.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 788 | L | 40.9 | Very low | 39.6 | Very low | 160 Ų | 160 | 128.8 Ų | 128.8 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -119.3 | 142.6 | 177.8 | -95.2 | 162.2 | 0 | 0 | 0 | 111.9 | P786 | P786-L788 PolarHBondContact O-N 3.19Š| ||
| 789 | T | 38 | Very low | 39.9 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -20.2 | 128.9 | 165.5 | -46.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 790 | G | 36.1 | Very low | 40.2 | Very low | 62 Ų | 62 | 129 Ų | 129 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 161.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 791 | D | 37.2 | Very low | 40.6 | Very low | 161 Ų | 161 | 125.9 Ų | 125.9 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 133.5 | -170.6 | -57.1 | -71.8 | 0 | 0 | 0 | 114.7 | ||
| 792 | P | 42.3 | Very low | 41 | Very low | 124 Ų | 124 | 126 Ų | 126 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 156.2 | 161 | -21.9 | 34.9 | 0 | 0 | 0 | 112.7 | ||
| 793 | G | 37.1 | Very low | 41 | Very low | 69 Ų | 69 | 123.5 Ų | 123.5 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 150.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | P795 | G793-P795 WeakPolarHBondContact O-CD 3.38Š|
| 794 | Y | 35.3 | Very low | 41.1 | Very low | 246 Ų | 246 | 119.8 Ų | 119.8 | 97% | 0.965 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 135.7 | -178.2 | -59.9 | -84.2 | 0 | 0 | 0 | 116 | ||
| 795 | P | 40.8 | Very low | 41.5 | Very low | 123 Ų | 123 | 118.8 Ų | 118.8 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -134.3 | 122.2 | 149.5 | 33.2 | -15.7 | 0 | 0 | 0 | 113 | G793 | G793-P795 WeakPolarHBondContact O-CD 3.38Š| ||
| 796 | G | 39.4 | Very low | 41.3 | Very low | 78 Ų | 78 | 113.2 Ų | 113.2 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 83.4 | 122.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 797 | L | 40.4 | Very low | 40.9 | Very low | 179 Ų | 179 | 115.4 Ų | 115.4 | 94% | 0.937 | 76% | 0.761 | S | S | * | * | trans | -111.1 | 114.3 | 158.4 | -75.9 | 172.6 | 0 | 0 | 0 | 107.8 | ||||
| 798 | D | 42.9 | Very low | 40.6 | Very low | 169 Ų | 169 | 113.7 Ų | 113.7 | 90% | 0.904 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 145.9 | 165.1 | -76.6 | -44.2 | 0 | 0 | 0 | 110.2 | ||
| 799 | G | 46.6 | Very low | 40.2 | Very low | 65 Ų | 65 | 114 Ų | 114 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 149.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 800 | P | 47.3 | Very low | 39.9 | Very low | 126 Ų | 126 | 113.6 Ų | 113.6 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 135.5 | 177.4 | 28.1 | -34.2 | 0 | 0 | 0 | 112.1 | ||
| 801 | P | 48.8 | Very low | 40 | Very low | 128 Ų | 128 | 114 Ų | 114 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -64 | 154.7 | 176.9 | -25.5 | 35.7 | 0 | 0 | 0 | 115.2 | ||
| 802 | G | 46.6 | Very low | 40 | Very low | 70 Ų | 70 | 112.5 Ų | 112.5 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 149.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 803 | P | 40.3 | Very low | 39.6 | Very low | 74 Ų | 74 | 112.4 Ų | 112.4 | 48% | 0.481 | 74% | 0.741 | S | S | . | * | P | Polyproline II helix | trans | -102.1 | 140.2 | -165.6 | 37.6 | -37.5 | 0 | 0 | 0 | 116.8 | G1398 Q1399 | P803-G1398 WeakPolarHBondContact O-CA 3.26Å; P803-Q1399 HydrophobicContact CB-CG 4.28Å; P803-Q1399 HydrophobicContact CG-CG 3.39Å |
| 804 | P | 43.4 | Very low | 39.4 | Very low | 103 Ų | 103 | 114.5 Ų | 114.5 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | trans | -70.9 | -178.6 | 147.2 | -16 | 32.3 | 0 | 0 | 0 | 111.5 | ||||
| 805 | G | 44.7 | Very low | 39.3 | Very low | 46 Ų | 46 | 110 Ų | 110 | 47% | 0.474 | 74% | 0.738 | S | S | . | * | cis | -178.3 | 143.6 | -3.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 806 | A | 36 | Very low | 38.9 | Very low | 57 Ų | 57 | 113.2 Ų | 113.2 | 47% | 0.471 | 74% | 0.74 | S | S | . | * | trans | -159 | 160.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | P1397 | A806-P1397 WeakPolarHBondContact O-CB 3.47Š| ||
| 807 | D | 34.8 | Very low | 38.7 | Very low | 163 Ų | 163 | 112.3 Ų | 112.3 | 87% | 0.872 | 73% | 0.73 | S | S | * | * | cis | -142.1 | -178.9 | -6.7 | -146.4 | 35.2 | 0 | 0 | 0 | 107.1 | ||||
| 808 | G | 34 | Very low | 38.3 | Very low | 50 Ų | 50 | 113.2 Ų | 113.2 | 52% | 0.515 | 73% | 0.732 | S | S | . | * | cis | 169.6 | -166.7 | 11.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 809 | I | 33 | Very low | 37.7 | Very low | 166 Ų | 166 | 113.3 Ų | 113.3 | 85% | 0.851 | 72% | 0.724 | S | S | * | * | trans | -168.9 | 144.7 | 148.4 | -105.7 | 154.6 | 0 | 0 | 0 | 110.8 | ||||
| 810 | P | 31.9 | Very low | 37.2 | Very low | 127 Ų | 127 | 113.1 Ų | 113.1 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | trans | -99.1 | 157.1 | -171.6 | 6.7 | 15.6 | 0 | 0 | 0 | 113.7 | ||||
| 811 | G | 37.7 | Very low | 36.5 | Very low | 70 Ų | 70 | 114.6 Ų | 114.6 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | trans | -178.3 | 81.1 | 175 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 812 | V | 36 | Very low | 35.5 | Very low | 129 Ų | 129 | 112.5 Ų | 112.5 | 78% | 0.782 | 71% | 0.712 | S | S | * | * | trans | 35.3 | 91.1 | 140.1 | -174.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 813 | T | 34.2 | Very low | 35 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | 58.1 | 145.4 | 83.9 | 76.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 814 | V | 32.9 | Very low | 34.6 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | cis | -145.8 | 136.6 | 9.8 | -175 | 0 | 0 | 0 | 0 | 110 | K816 | V814-K816 HydrophobicContact CG1-CB 3.98Š| ||
| 815 | V | 33.7 | Very low | 34.2 | Very low | 153 Ų | 153 | 118.9 Ų | 118.9 | 93% | 0.927 | 74% | 0.739 | S | S | * | * | trans | -140.8 | 78.9 | 131.5 | -170.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 816 | K | 32.6 | Very low | 33.9 | Very low | 190 Ų | 190 | 123.1 Ų | 123.1 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | trans | -72.6 | 138.3 | 161 | -178.8 | 179.2 | -178.3 | 179.7 | 0 | 107.3 | V814 | V814-K816 HydrophobicContact CG1-CB 3.98Š| ||
| 817 | G | 35.5 | Very low | 34.2 | Very low | 58 Ų | 58 | 129 Ų | 129 | 60% | 0.598 | 78% | 0.779 | S | S | * | * | cis | 119.3 | 121.4 | 8.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 818 | M | 30.7 | Very low | 34.1 | Very low | 199 Ų | 199 | 124.6 Ų | 124.6 | 98% | 0.98 | 77% | 0.773 | S | S | * | * | trans | -136.9 | 132.7 | 173.5 | -65.9 | -170.1 | 75.9 | 0 | 0 | 110 | ||||
| 819 | K | 31.6 | Very low | 33.9 | Very low | 170 Ų | 170 | 127.5 Ų | 127.5 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | trans | -148.4 | 141.2 | 176.4 | 172.2 | -176.5 | 176.7 | -67.4 | 0 | 108.7 | E821 | K819-E821 IonicContact NZ-OE1 2.77Å; K819-E821 PolarHBondContact NZ-OE1 2.87Å; K819-E821 IonicContact NZ-OE2 3.27Å; K819-E821 PolarHBondContact NZ-OE2 3.28Å | ||
| 820 | G | 34.8 | Very low | 34.1 | Very low | 61 Ų | 61 | 128.6 Ų | 128.6 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | trans | 79 | 167.1 | 159 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 821 | E | 32.9 | Very low | 35 | Very low | 157 Ų | 157 | 125.7 Ų | 125.7 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | cis | -161.4 | 172.1 | -8.7 | -138.2 | 115.1 | -97.5 | 0 | 0 | 109.7 | K819 | K819-E821 IonicContact NZ-OE1 2.77Å; K819-E821 PolarHBondContact NZ-OE1 2.87Å; K819-E821 IonicContact NZ-OE2 3.27Å; K819-E821 PolarHBondContact NZ-OE2 3.28Å | ||
| 822 | A | 29 | Very low | 34.9 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | trans | -153.5 | 160.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 823 | I | 35.5 | Very low | 35.2 | Very low | 173 Ų | 173 | 128.5 Ų | 128.5 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | 82.6 | 157.2 | 170 | -50 | 172.4 | 0 | 0 | 0 | 114.6 | ||||
| 824 | V | 32.8 | Very low | 36 | Very low | 139 Ų | 139 | 126.3 Ų | 126.3 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -136.2 | 136.6 | -148.3 | 169.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 825 | G | 34.6 | Very low | 36.2 | Very low | 68 Ų | 68 | 125.2 Ų | 125.2 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | 76 | -179.1 | 149.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 826 | P | 38.2 | Very low | 36.6 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | cis | -130.2 | -167.3 | -10.1 | 39.4 | -20.9 | 0 | 0 | 0 | 114.8 | ||||
| 827 | I | 41.9 | Very low | 36.8 | Very low | 179 Ų | 179 | 117 Ų | 117 | 92% | 0.918 | 75% | 0.752 | S | S | * | * | trans | -93.8 | 150.5 | -157.4 | -64.3 | 159.6 | 0 | 0 | 0 | 116.8 | ||||
| 828 | G | 33.3 | Very low | 36.7 | Very low | 72 Ų | 72 | 119.6 Ų | 119.6 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | 171.1 | 144.4 | 151.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 829 | A | 29.6 | Very low | 36.9 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 91% | 0.909 | 74% | 0.736 | S | S | * | * | cis | -156 | 176.6 | -3.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 830 | E | 36.1 | Very low | 37.2 | Very low | 190 Ų | 190 | 112.6 Ų | 112.6 | 89% | 0.888 | 72% | 0.716 | S | S | * | * | trans | -134.7 | 154.1 | -173.2 | -175.9 | 178.6 | -147.8 | 0 | 0 | 113.5 | ||||
| 831 | G | 51.6 | Low | 37.3 | Very low | 65 Ų | 65 | 116.4 Ų | 116.4 | 67% | 0.67 | 72% | 0.722 | S | S | * | * | trans | 110.3 | 148.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 832 | P | 35.1 | Very low | 37.4 | Very low | 135 Ų | 135 | 111.1 Ų | 111.1 | 88% | 0.877 | 70% | 0.702 | S | S | * | * | cis | -134.1 | 170 | 39.9 | 41.4 | -26.6 | 0 | 0 | 0 | 116.7 | ||||
| 833 | S | 42.8 | Very low | 37.6 | Very low | 123 Ų | 123 | 110.6 Ų | 110.6 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | trans | -125.4 | 129.8 | -174.8 | -58 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 834 | G | 50.1 | Low | 37.6 | Very low | 76 Ų | 76 | 109.3 Ų | 109.3 | 78% | 0.784 | 70% | 0.699 | S | S | * | * | trans | 66.6 | 141.9 | 137 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 835 | P | 37.1 | Very low | 38.2 | Very low | 91 Ų | 91 | 107.1 Ų | 107.1 | 59% | 0.591 | 69% | 0.688 | S | S | * | * | trans | -101.9 | 120.5 | 161.1 | 34.7 | -26.5 | 0 | 0 | 0 | 112.8 | Q1417 | P835-Q1417 HydrophobicContact CB-CG 4.38Š| ||
| 836 | K | 41.9 | Very low | 38 | Very low | 150 Ų | 150 | 107.4 Ų | 107.4 | 65% | 0.652 | 69% | 0.691 | S | S | * | * | trans | -82.4 | 156.8 | 175.1 | 176.7 | -174.8 | 171.7 | -165.5 | 0 | 112.4 | E838 Q1417 | K836-E838 WeakPolarHBondContact CE-OE1 3.37Å; K836-E838 IonicContact NZ-OE1 2.69Å; K836-E838 PolarHBondContact NZ-OE1 2.85Å; K836-Q1417 PolarHBondContact O-NE2 3.48Å | ||
| 837 | G | 38.5 | Very low | 38.1 | Very low | 20 Ų | 20 | 105.9 Ų | 105.9 | 21% | 0.206 | 68% | 0.675 | C | S | . | * | trans | -172.7 | 103.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | G1419 D1420 | G837-G1419 CarbonylContact O-C 3.53Å; G837-G1419 WeakPolarHBondContact O-CA 3.14Å; G837-D1420 PolarHBondContact O-N 3.49Å; G837-D1420 VanDerWaalsContact O-N 3.1Å | ||
| 838 | E | 33.1 | Very low | 38.1 | Very low | 112 Ų | 112 | 102.7 Ų | 102.7 | 52% | 0.523 | 67% | 0.665 | S | S | . | * | trans | -59.5 | 171 | 179.3 | -50.8 | 164.2 | -175.8 | 0 | 0 | 114 | K836 | K836-E838 WeakPolarHBondContact CE-OE1 3.37Å; K836-E838 IonicContact NZ-OE1 2.69Å; K836-E838 PolarHBondContact NZ-OE1 2.85Å | ||
| 839 | R | 35 | Very low | 38.3 | Very low | 193 Ų | 193 | 102.8 Ų | 102.8 | 73% | 0.728 | 67% | 0.667 | S | S | * | * | cis | 174.6 | 160.8 | 47.1 | 172.4 | 175.9 | -66.9 | -166.4 | -2.7 | 110.7 | D1420 | R839-D1420 PolarHBondContact N-O 3.09Š| ||
| 840 | G | 37.7 | Very low | 38.3 | Very low | 30 Ų | 30 | 103.3 Ų | 103.3 | 31% | 0.309 | 65% | 0.648 | S | S | . | * | trans | 166.9 | 13.3 | 149.2 | 0 | 0 | 0 | 0 | 0 | 126.7 | G1422 D1423 | G840-G1422 VanDerWaalsContact CA-O 3.27Å; G840-G1422 WeakPolarHBondContact CA-O 3.49Å; G840-G1422 PolarHBondContact N-O 2.95Å; G840-D1423 VanDerWaalsContact O-CB 3.28Å; G840-D1423 WeakPolarHBondContact O-CB 3.03Å; G840-D1423 PolarHBondContact O-N 2.94Å | ||
| 841 | D | 36.7 | Very low | 38.3 | Very low | 141 Ų | 141 | 99 Ų | 99 | 75% | 0.754 | 63% | 0.628 | S | S | * | * | trans | -3.2 | 129.5 | 176 | -36.5 | -33.6 | 0 | 0 | 0 | 122.5 | ||||
| 842 | S | 34.3 | Very low | 37.7 | Very low | 46 Ų | 46 | 97 Ų | 97 | 32% | 0.322 | 61% | 0.607 | S | S | . | * | trans | 141.6 | 138.8 | 166.1 | 48.5 | 0 | 0 | 0 | 0 | 114.5 | D1423 I1424 G1425 | S842-D1423 PolarHBondContact N-OD2 2.81Å; S842-D1423 WeakPolarHBondContact O-CB 3.44Å; S842-I1424 PolarHBondContact O-N 2.89Å; S842-I1424 PolarHBondContact OG-O 2.81Å; S842-I1424 VanDerWaalsContact OG-O 3.1Å; S842-G1425 PolarHBondContact OG-N 3.38Å | ||
| 843 | G | 33.6 | Very low | 37.3 | Very low | 74 Ų | 74 | 98.7 Ų | 98.7 | 76% | 0.763 | 61% | 0.607 | S | S | * | * | cis | -176.4 | -177.5 | 3.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 844 | L | 34.6 | Very low | 37.1 | Very low | 145 Ų | 145 | 102 Ų | 102 | 76% | 0.759 | 61% | 0.609 | S | S | * | * | trans | -93.1 | -176.1 | -173.4 | -68.2 | 141.4 | 0 | 0 | 0 | 112.7 | ||||
| 845 | P | 45.9 | Very low | 36.5 | Very low | 93 Ų | 93 | 101.5 Ų | 101.5 | 60% | 0.604 | 60% | 0.604 | S | S | * | * | -132.3 | -177.3 | -53.9 | 38.7 | -23.2 | 0 | 0 | 0 | 112.9 | |||||
| 846 | G | 30.4 | Very low | 36.2 | Very low | 75 Ų | 75 | 103.1 Ų | 103.1 | 77% | 0.773 | 61% | 0.612 | S | S | * | * | trans | -170.2 | 140.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 847 | I | 40.2 | Very low | 36 | Very low | 104 Ų | 104 | 101.1 Ų | 101.1 | 53% | 0.533 | 61% | 0.605 | S | S | . | * | trans | -152.5 | 169.9 | -173.7 | 14 | 167.8 | 0 | 0 | 0 | 108.9 | A149 | A149-I847 HydrophobicContact CB-CD1 4.12Š| ||
| 848 | P | 43.4 | Very low | 36.2 | Very low | 111 Ų | 111 | 102.4 Ų | 102.4 | 72% | 0.721 | 62% | 0.619 | S | S | * | * | cis | -132.6 | -174.9 | -10.8 | 35.4 | -15.2 | 0 | 0 | 0 | 114.5 | P152 | P152-P848 HydrophobicContact CG-CB 4.5Š| ||
| 849 | G | 35.9 | Very low | 36.2 | Very low | 75 Ų | 75 | 106 Ų | 106 | 77% | 0.773 | 64% | 0.635 | S | S | * | * | trans | -166.2 | 154.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 850 | K | 30.6 | Very low | 36.2 | Very low | 121 Ų | 121 | 104.2 Ų | 104.2 | 53% | 0.526 | 63% | 0.633 | S | S | . | * | trans | -133.7 | 158.1 | -153.2 | -79.6 | -144.2 | -175.5 | -174.5 | 0 | 118.5 | P959 G960 | K850-P959 VanDerWaalsContact C-C 3.49Å; K850-P959 CarbonylContact C-O 3.47Å; K850-P959 VanDerWaalsContact C-O 3.29Å; K850-P959 CarbonylContact O-C 3.55Å; K850-G960 PolarHBondContact O-N 3.26Å | ||
| 851 | E | 35.8 | Very low | 35.9 | Very low | 100 Ų | 100 | 104.9 Ų | 104.9 | 47% | 0.467 | 64% | 0.64 | S | S | . | * | trans | 59.9 | 0 | 141.7 | -75 | 160.3 | 176.2 | 0 | 0 | 121.6 | R958 P959 G960 | E851-R958 VanDerWaalsContact CA-C 3.48Å; E851-P959 VanDerWaalsContact CA-CA 3.41Å; E851-P959 VanDerWaalsContact CA-CG 3.49Å; E851-P959 HydrophobicContact CB-CG 3.76Å; E851-P959 PolarHBondContact N-O 3.1Å; E851-P959 CarbonylContact O-C 3.59Å; E851-P959 WeakPolarHBondContact O-CA 3.44Å; E851-P959 WeakPolarHBondContact O-CB 3.47Å; E851-P959 WeakPolarHBondContact O-CD 3.38Å; E851-P959 WeakPolarHBondContact O-CG 3.48Å; E851-G960 WeakPolarHBondContact O-CA 3.44Å; E851-G960 PolarHBondContact O-N 2.82Å | ||
| 852 | G | 38.8 | Very low | 36.3 | Very low | 22 Ų | 22 | 107.3 Ų | 107.3 | 23% | 0.227 | 64% | 0.639 | C | S | . | * | 0 | -163.8 | 0 | 0 | 0 | 0 | 0 | 0 | 117.7 | R958 P959 | G852-R958 VanDerWaalsContact N-C 3.32Å; G852-R958 WeakPolarHBondContact O-CB 3.18Å; G852-P959 VanDerWaalsContact O-CA 3.27Å; G852-P959 WeakPolarHBondContact O-CA 3.32Å | |||
| 853 | I | 27.6 | Very low | 36.6 | Very low | 170 Ų | 170 | 111.1 Ų | 111.1 | 87% | 0.872 | 66% | 0.663 | S | S | * | * | cis | -131.9 | 143.9 | 18.6 | -31.5 | 173.5 | 0 | 0 | 0 | 111.7 | ||||
| 854 | E | 38.4 | Very low | 36.7 | Very low | 192 Ų | 192 | 110.8 Ų | 110.8 | 90% | 0.897 | 66% | 0.66 | S | S | * | * | trans | -76.6 | 158.7 | 174.4 | -65 | 177.2 | 110.2 | 0 | 0 | 113.5 | ||||
| 855 | G | 37.2 | Very low | 36.6 | Very low | 67 Ų | 67 | 112.5 Ų | 112.5 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | cis | -166.4 | 127.9 | -2.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 856 | V | 31.5 | Very low | 36 | Very low | 125 Ų | 125 | 117.9 Ų | 117.9 | 76% | 0.758 | 68% | 0.682 | S | S | * | * | trans | -137.9 | 133.1 | 178.1 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 857 | Q | 37.5 | Very low | 36.7 | Very low | 108 Ų | 108 | 117.2 Ų | 117.2 | 51% | 0.505 | 68% | 0.675 | S | S | . | * | trans | -118.1 | 127.9 | 174.5 | -160.4 | -176.2 | 59.3 | 0 | 0 | 110.8 | V953 G954 | Q857-V953 HydrophobicContact CG-CG1 4.29Å; Q857-V953 PolarHBondContact NE2-O 3.34Å; Q857-G954 PolarHBondContact NE2-O 3.35Å | ||
| 858 | G | 42.9 | Very low | 36.2 | Very low | 47 Ų | 47 | 120.3 Ų | 120.3 | 49% | 0.485 | 69% | 0.693 | S | S | . | * | trans | -76.7 | 169.2 | -172 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 859 | Q | 31.3 | Very low | 36 | Very low | 186 Ų | 186 | 119.9 Ų | 119.9 | 87% | 0.869 | 70% | 0.698 | S | S | * | * | trans | -96.5 | 155.2 | -174.3 | -56.3 | -175 | 0.8 | 0 | 0 | 114.4 | ||||
| 860 | K | 35.8 | Very low | 36.4 | Very low | 156 Ų | 156 | 119.9 Ų | 119.9 | 68% | 0.678 | 70% | 0.698 | S | S | * | * | trans | 70.8 | 121.2 | 138.7 | -160.7 | 174.3 | -174.9 | -175.5 | 0 | 119.3 | Y862 | K860-Y862 VanDerWaalsContact CE-OH 3.27Å; K860-Y862 WeakPolarHBondContact CE-OH 2.78Å; K860-Y862 PolarHBondContact NZ-OH 3.39Å | ||
| 861 | G | 30.5 | Very low | 36.5 | Very low | 44 Ų | 44 | 122.8 Ų | 122.8 | 45% | 0.454 | 72% | 0.716 | S | S | . | * | trans | -157.1 | 116.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | K952 | G861-K952 PolarHBondContact O-NZ 2.93Š| ||
| 862 | Y | 46.1 | Very low | 36.5 | Very low | 192 Ų | 192 | 124 Ų | 124 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | trans | -50.6 | 153 | 176.7 | -56.4 | -88.8 | 0 | 0 | 0 | 111.5 | K860 | K860-Y862 VanDerWaalsContact CE-OH 3.27Å; K860-Y862 WeakPolarHBondContact CE-OH 2.78Å; K860-Y862 PolarHBondContact NZ-OH 3.39Å | ||
| 863 | P | 41.1 | Very low | 36.7 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | -155.5 | -178.3 | 86.5 | 41.7 | -23.3 | 0 | 0 | 0 | 116.1 | |||||
| 864 | G | 35.2 | Very low | 37 | Very low | 68 Ų | 68 | 127.3 Ų | 127.3 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | 101.7 | 70.3 | 130.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | K866 | G864-K866 PolarHBondContact O-N 3.06Š| ||
| 865 | I | 32.6 | Very low | 37 | Very low | 180 Ų | 180 | 121.9 Ų | 121.9 | 92% | 0.923 | 74% | 0.742 | S | S | * | * | trans | -40.4 | 132.8 | 154.1 | 40.5 | 171 | 0 | 0 | 0 | 112.5 | ||||
| 866 | K | 33.4 | Very low | 37.4 | Very low | 207 Ų | 207 | 121.3 Ų | 121.3 | 90% | 0.9 | 74% | 0.736 | S | S | * | * | trans | -108.6 | 113 | 173.2 | -177.5 | 176.9 | 178.5 | -179.7 | 0 | 110 | G864 | G864-K866 PolarHBondContact O-N 3.06Š| ||
| 867 | G | 44.6 | Very low | 37.5 | Very low | 60 Ų | 60 | 119.2 Ų | 119.2 | 62% | 0.619 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 172 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 868 | D | 30.3 | Very low | 37.9 | Very low | 170 Ų | 170 | 119.4 Ų | 119.4 | 91% | 0.909 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 159.7 | -163.6 | -61.2 | -82.3 | 0 | 0 | 0 | 116.5 | ||
| 869 | A | 37.7 | Very low | 37.7 | Very low | 102 Ų | 102 | 120.8 Ų | 120.8 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 127.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 870 | G | 44.5 | Very low | 37.8 | Very low | 74 Ų | 74 | 120.5 Ų | 120.5 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 161.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 871 | M | 32.7 | Very low | 38.1 | Very low | 183 Ų | 183 | 121.7 Ų | 121.7 | 90% | 0.901 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 156.3 | -176.8 | -65.2 | -174.3 | 73 | 0 | 0 | 113.5 | ||
| 872 | P | 36.2 | Very low | 38.5 | Very low | 124 Ų | 124 | 122.6 Ų | 122.6 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 138.8 | -170.6 | -17.5 | 32 | 0 | 0 | 0 | 114.7 | ||
| 873 | G | 43.6 | Very low | 37.9 | Very low | 76 Ų | 76 | 119.3 Ų | 119.3 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 147.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 874 | M | 33.2 | Very low | 37.9 | Very low | 186 Ų | 186 | 119.2 Ų | 119.2 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 154.9 | 176.8 | -71.4 | -175.4 | 68.8 | 0 | 0 | 112.2 | ||
| 875 | P | 39.4 | Very low | 38.1 | Very low | 79 Ų | 79 | 119 Ų | 119 | 51% | 0.513 | 75% | 0.754 | S | S | . | * | P | Polyproline II helix | trans | -99.7 | 160.3 | -162.7 | 31.7 | -21.7 | 0 | 0 | 0 | 115.3 | Q1237 G1238 | P875-Q1237 VanDerWaalsContact C-CG 3.42Å; P875-Q1237 HydrophobicContact CB-CG 3.96Å; P875-Q1237 HydrophobicContact CG-CG 3.83Å; P875-Q1237 WeakPolarHBondContact O-CG 3.38Å; P875-G1238 PolarHBondContact O-N 2.91Å |
| 876 | G | 44.8 | Very low | 38.3 | Very low | 54 Ų | 54 | 117.8 Ų | 117.8 | 56% | 0.557 | 75% | 0.75 | S | S | * | * | B | Isolated β-bridge | trans | -106.1 | 151.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q1237 | G876-Q1237 PolarHBondContact O-NE2 2.89Å |
| 877 | L | 34.7 | Very low | 38.5 | Very low | 81 Ų | 81 | 111.5 Ų | 111.5 | 42% | 0.424 | 74% | 0.743 | S | S | . | * | P | Polyproline II helix | trans | -68 | 160.7 | -173.2 | -87 | 172.6 | 0 | 0 | 0 | 115 | Q1237 G1238 | L877-Q1237 HydrophobicContact CD2-CB 3.83Å; L877-Q1237 HydrophobicContact CG-CB 4.15Å; L877-Q1237 WeakPolarHBondContact CG-O 3.09Å; L877-G1238 WeakPolarHBondContact CB-O 3.31Å; L877-G1238 VanDerWaalsContact CD1-O 3.26Å; L877-G1238 WeakPolarHBondContact CD1-O 3.35Å; L877-G1238 WeakPolarHBondContact CG-O 3.17Å |
| 878 | P | 44.2 | Very low | 38.1 | Very low | 113 Ų | 113 | 112.1 Ų | 112.1 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 142.3 | 179.1 | -23.2 | 34 | 0 | 0 | 0 | 115.4 | ||
| 879 | G | 40.1 | Very low | 38.2 | Very low | 75 Ų | 75 | 111.5 Ų | 111.5 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 144.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 880 | L | 33.1 | Very low | 38.4 | Very low | 180 Ų | 180 | 111.9 Ų | 111.9 | 94% | 0.942 | 74% | 0.739 | S | S | * | * | trans | -44.9 | 135.6 | -177 | -67.3 | 153.6 | 0 | 0 | 0 | 116.1 | ||||
| 881 | K | 42.8 | Very low | 38 | Very low | 182 Ų | 182 | 112.1 Ų | 112.1 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | -81 | 129.5 | 160.2 | 172.7 | -174 | 175.3 | -178.5 | 0 | 110 | ||||
| 882 | G | 37.1 | Very low | 38.2 | Very low | 63 Ų | 63 | 114.1 Ų | 114.1 | 65% | 0.649 | 74% | 0.741 | S | S | * | * | trans | 168.4 | 154.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 883 | P | 34.1 | Very low | 38.4 | Very low | 122 Ų | 122 | 119.3 Ų | 119.3 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | cis | -81.3 | 176.7 | -9.9 | 36.1 | -35.5 | 0 | 0 | 0 | 112 | ||||
| 884 | I | 41.8 | Very low | 38.3 | Very low | 124 Ų | 124 | 118.8 Ų | 118.8 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 120.9 | 151.6 | -72.3 | 168.3 | 0 | 0 | 0 | 105.3 | ||
| 885 | G | 39.1 | Very low | 38.4 | Very low | 64 Ų | 64 | 118.2 Ų | 118.2 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 130.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||
| 886 | D | 36 | Very low | 38.5 | Very low | 155 Ų | 155 | 119.6 Ų | 119.6 | 83% | 0.829 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 150.4 | -173.6 | -73.7 | -65.9 | 0 | 0 | 0 | 112.8 | G888 | D886-G888 PolarHBondContact O-N 2.03Š|
| 887 | G | 39 | Very low | 38 | Very low | 74 Ų | 74 | 118.4 Ų | 118.4 | 76% | 0.763 | 73% | 0.728 | S | S | * | * | trans | -58.9 | 109.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L889 | G887-L889 PolarHBondContact O-N 3.35Š| ||
| 888 | G | 35.9 | Very low | 38.3 | Very low | 73 Ų | 73 | 124.9 Ų | 124.9 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 128.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | D886 | D886-G888 PolarHBondContact O-N 2.03Š|
| 889 | L | 31.9 | Very low | 38.2 | Very low | 157 Ų | 157 | 124.7 Ų | 124.7 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 141 | -176 | -74.8 | 160.9 | 0 | 0 | 0 | 111.2 | G887 G891 | G887-L889 PolarHBondContact O-N 3.35Å; L889-G891 PolarHBondContact O-N 2.86Å |
| 890 | P | 42.2 | Very low | 38.7 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 72% | 0.721 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 125.4 | 179.6 | -28.9 | 35.3 | 0 | 0 | 0 | 112.1 | Y892 | P890-Y892 PolarHBondContact O-N 2.8Š|
| 891 | G | 37.1 | Very low | 38.9 | Very low | 79 Ų | 79 | 124.4 Ų | 124.4 | 81% | 0.814 | 72% | 0.724 | S | S | * | * | trans | -57.7 | 114 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L889 R893 | L889-G891 PolarHBondContact O-N 2.86Å; G891-R893 PolarHBondContact O-N 3.11Å | ||
| 892 | Y | 36.7 | Very low | 38.7 | Very low | 225 Ų | 225 | 120.4 Ų | 120.4 | 88% | 0.882 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 123 | -176 | -84.8 | -87.7 | 0 | 0 | 0 | 111.5 | P890 G894 | P890-Y892 PolarHBondContact O-N 2.8Å; Y892-G894 PolarHBondContact O-N 2.97Å |
| 893 | R | 39.7 | Very low | 38.9 | Very low | 232 Ų | 232 | 120.3 Ų | 120.3 | 88% | 0.875 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 124.4 | 171.9 | -176 | -179.6 | -175.1 | 176.4 | 2.4 | 110.3 | G891 K895 | G891-R893 PolarHBondContact O-N 3.11Å; R893-K895 PolarHBondContact O-N 2.95Å |
| 894 | G | 40.7 | Very low | 39.2 | Very low | 66 Ų | 66 | 121.1 Ų | 121.1 | 68% | 0.68 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 136.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | Y892 | Y892-G894 PolarHBondContact O-N 2.97Š|
| 895 | K | 35.9 | Very low | 39.2 | Very low | 173 Ų | 173 | 121.4 Ų | 121.4 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 137.5 | 176.6 | -63.7 | -175.9 | 178.9 | -177.5 | 0 | 109.4 | Y346 R893 | Y346-K895 VanDerWaalsContact CE2-O 3.28Å; Y346-K895 WeakPolarHBondContact CE2-O 3.2Å; Y346-K895 WeakPolarHBondContact OH-CB 3.07Å; R893-K895 PolarHBondContact O-N 2.95Å |
| 896 | P | 41.6 | Very low | 39.3 | Very low | 109 Ų | 109 | 121.7 Ų | 121.7 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 153.7 | 173 | -21.5 | 33.9 | 0 | 0 | 0 | 112.7 | Y346 | Y346-P896 WeakPolarHBondContact CE2-O 3.22Å; Y346-P896 VanDerWaalsContact CZ-O 3.3Å; Y346-P896 PolarHBondContact OH-O 3.41Å |
| 897 | G | 34.8 | Very low | 39.3 | Very low | 28 Ų | 28 | 121 Ų | 121 | 29% | 0.289 | 74% | 0.741 | S | S | . | * | P | Polyproline II helix | trans | -67 | 171.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 898 | R | 40.8 | Very low | 39.3 | Very low | 217 Ų | 217 | 123.6 Ų | 123.6 | 82% | 0.819 | 74% | 0.743 | S | S | * | * | trans | -141 | 91.6 | 171.9 | -125.9 | -169.8 | -173.6 | -140.6 | 1.2 | 111.3 | ||||
| 899 | I | 41.2 | Very low | 39.5 | Very low | 109 Ų | 109 | 123.8 Ų | 123.8 | 56% | 0.559 | 75% | 0.745 | S | S | * | * | trans | 26.4 | 104.6 | 134.7 | -49.2 | 170.9 | 0 | 0 | 0 | 115.4 | D343 F901 | D343-I899 PolarHBondContact OD1-N 3.34Å; I899-F901 HydrophobicContact CG2-CD2 3.82Å; I899-F901 HydrophobicContact CG2-CE2 3.61Å | ||
| 900 | G | 52.1 | Low | 39.4 | Very low | 53 Ų | 53 | 125.3 Ų | 125.3 | 55% | 0.546 | 75% | 0.748 | S | S | . | * | trans | -94.3 | 173.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E344 | E344-G900 PolarHBondContact O-N 3.2Å; E344-G900 VanDerWaalsContact O-N 3.11Å | ||
| 901 | F | 36.1 | Very low | 39 | Very low | 197 Ų | 197 | 129.9 Ų | 129.9 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -146.5 | 156.3 | 168.9 | -94.6 | -70.7 | 0 | 0 | 0 | 113.3 | I899 | I899-F901 HydrophobicContact CG2-CD2 3.82Å; I899-F901 HydrophobicContact CG2-CE2 3.61Å | ||
| 902 | A | 39.7 | Very low | 38.9 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | trans | -102.7 | -173.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 903 | G | 41.6 | Very low | 38.9 | Very low | 62 Ų | 62 | 128.6 Ų | 128.6 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | cis | -160.9 | -177.4 | 10.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 904 | V | 39.7 | Very low | 38.8 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | 72.9 | 137.3 | 70.9 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 905 | P | 41.8 | Very low | 38.7 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 84% | 0.844 | 76% | 0.761 | S | S | * | * | cis | -123.2 | -173.8 | 15.1 | 20.8 | 5.3 | 0 | 0 | 0 | 114.9 | ||||
| 906 | G | 40.5 | Very low | 38.6 | Very low | 70 Ų | 70 | 127.4 Ų | 127.4 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | cis | 178 | 167.1 | -5.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 907 | V | 36.1 | Very low | 38.6 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -33.6 | 176.2 | 167.1 | -77.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 908 | P | 40 | Very low | 38.8 | Very low | 127 Ų | 127 | 131 Ų | 131 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | cis | -138 | 176.7 | -25 | 33 | -12.7 | 0 | 0 | 0 | 116.1 | ||||
| 909 | G | 38.9 | Very low | 38.4 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -171.6 | 148.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 910 | Q | 30.9 | Very low | 38.3 | Very low | 189 Ų | 189 | 129.1 Ų | 129.1 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -113.2 | 143.2 | -161.5 | -58.7 | -176.6 | 14.7 | 0 | 0 | 118 | ||||
| 911 | K | 32.5 | Very low | 37.8 | Very low | 207 Ų | 207 | 130.1 Ų | 130.1 | 90% | 0.9 | 81% | 0.81 | S | S | * | * | trans | 66.8 | 119.5 | 132.6 | -171.2 | -179.3 | -179.4 | -177.6 | 0 | 122.6 | ||||
| 912 | G | 35.4 | Very low | 38.3 | Very low | 70 Ų | 70 | 125.9 Ų | 125.9 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | 145.6 | 138.8 | 161 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 913 | E | 36.2 | Very low | 38.6 | Very low | 207 Ų | 207 | 127.2 Ų | 127.2 | 97% | 0.967 | 81% | 0.812 | S | S | * | * | cis | -129.6 | -124.5 | 1.4 | -64.4 | -159.8 | 103.3 | 0 | 0 | 114 | ||||
| 914 | R | 38.6 | Very low | 38.4 | Very low | 246 Ų | 246 | 127.7 Ų | 127.7 | 93% | 0.928 | 82% | 0.816 | S | S | * | * | trans | -139.2 | 133.1 | -150.8 | 178.1 | -161.6 | -61.6 | 174.4 | 1.6 | 113.5 | ||||
| 915 | G | 38.6 | Very low | 38.3 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | trans | -177.4 | 124.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 916 | T | 34.1 | Very low | 38 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | trans | -36.5 | 140.5 | 165.2 | 42.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 917 | D | 41.1 | Very low | 37.7 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | cis | -136.4 | 160.1 | 12.1 | -76.6 | -46.9 | 0 | 0 | 0 | 113.4 | ||||
| 918 | G | 38.8 | Very low | 37.8 | Very low | 68 Ų | 68 | 127.6 Ų | 127.6 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | trans | -75.6 | 125.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 919 | L | 32.8 | Very low | 37.7 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | 73.6 | 145 | 65.8 | -72.5 | 171.2 | 0 | 0 | 0 | 113.9 | |||||
| 920 | P | 39.6 | Very low | 37.7 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | cis | -135.4 | 162.6 | -2.8 | 37.5 | -19.9 | 0 | 0 | 0 | 116.9 | ||||
| 921 | G | 41.5 | Very low | 38 | Very low | 75 Ų | 75 | 133.2 Ų | 133.2 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | 95.8 | 88.8 | 129 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 922 | A | 45.1 | Very low | 38.2 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 88% | 0.884 | 81% | 0.814 | S | S | * | * | trans | -91.2 | 134.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 923 | P | 46 | Very low | 38.4 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -117.4 | 133.4 | 151.3 | 1.7 | 19.9 | 0 | 0 | 0 | 111.2 | ||||
| 924 | G | 37.8 | Very low | 38.1 | Very low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -88.7 | 151.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 925 | L | 37.6 | Very low | 37.9 | Very low | 168 Ų | 168 | 122.1 Ų | 122.1 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | trans | 40.3 | 84.5 | 146.1 | -63.5 | 170.8 | 0 | 0 | 0 | 118.2 | ||||
| 926 | T | 35.2 | Very low | 37.6 | Very low | 121 Ų | 121 | 122.1 Ų | 122.1 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | 177.6 | 150.7 | 98.8 | 30.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 927 | G | 33.9 | Very low | 37.4 | Very low | 74 Ų | 74 | 123.9 Ų | 123.9 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 114.3 | 109.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R929 | G927-R929 PolarHBondContact O-N 2.61Å; G927-R929 VanDerWaalsContact O-N 3.13Å | ||
| 928 | A | 39.5 | Very low | 37.1 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 94% | 0.942 | 80% | 0.8 | S | S | * | * | trans | -76.6 | 96.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 929 | R | 37.2 | Very low | 37 | Very low | 252 Ų | 252 | 123.7 Ų | 123.7 | 95% | 0.951 | 80% | 0.8 | S | S | * | * | trans | -75.5 | 134.8 | 175.5 | 177.8 | -178.4 | 178.8 | -179.3 | -0.7 | 110 | G927 | G927-R929 PolarHBondContact O-N 2.61Å; G927-R929 VanDerWaalsContact O-N 3.13Å | ||
| 930 | G | 40.1 | Very low | 36.9 | Very low | 69 Ų | 69 | 124.8 Ų | 124.8 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | cis | 174.4 | 177.8 | -6.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 931 | E | 35.5 | Very low | 36.8 | Very low | 190 Ų | 190 | 124 Ų | 124 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -93.9 | 176.8 | 163.8 | -67.9 | -170.8 | 141.6 | 0 | 0 | 110.4 | ||||
| 932 | P | 37.8 | Very low | 36.7 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | cis | -111.3 | 173.4 | -7.3 | 16.8 | 8.1 | 0 | 0 | 0 | 112 | ||||
| 933 | G | 38.6 | Very low | 36.2 | Very low | 63 Ų | 63 | 126.5 Ų | 126.5 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | cis | 79.1 | 118.3 | 49.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 934 | F | 30.4 | Very low | 35.7 | Very low | 197 Ų | 197 | 125.3 Ų | 125.3 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | cis | -156.2 | -172.6 | 33.4 | -83.8 | -87.8 | 0 | 0 | 0 | 109 | ||||
| 935 | P | 35.4 | Very low | 35.7 | Very low | 123 Ų | 123 | 124 Ų | 124 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | cis | -119 | 171.8 | -3.4 | 37.1 | -20.4 | 0 | 0 | 0 | 114 | ||||
| 936 | G | 32.1 | Very low | 35.6 | Very low | 71 Ų | 71 | 124.4 Ų | 124.4 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | trans | -98.3 | 171.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 937 | M | 29.5 | Very low | 35.8 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | trans | -129.8 | 139 | 145.9 | -85.5 | -170.4 | 69 | 0 | 0 | 109.7 | ||||
| 938 | D | 34.8 | Very low | 36.5 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | 26.4 | 113.4 | 146 | -53.2 | -35.5 | 0 | 0 | 0 | 120.2 | ||||
| 939 | G | 37.4 | Very low | 36.2 | Very low | 67 Ų | 67 | 129.1 Ų | 129.1 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | 76.3 | 125.3 | 138.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | P941 | G939-P941 WeakPolarHBondContact O-CD 3.34Å; G939-P941 VanDerWaalsContact O-N 3.16Å | ||
| 940 | M | 30.4 | Very low | 36.6 | Very low | 188 Ų | 188 | 122.1 Ų | 122.1 | 93% | 0.926 | 77% | 0.771 | S | S | * | * | trans | -57 | 120.3 | 162.4 | -64.8 | 178.8 | 76.1 | 0 | 0 | 109 | G942 | M940-G942 PolarHBondContact O-N 2.83Š| ||
| 941 | P | 36.9 | Very low | 36.6 | Very low | 105 Ų | 105 | 121.9 Ų | 121.9 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | trans | -65.4 | 106.4 | 167.3 | -16.7 | 32.2 | 0 | 0 | 0 | 106.9 | G939 L943 | G939-P941 WeakPolarHBondContact O-CD 3.34Å; G939-P941 VanDerWaalsContact O-N 3.16Å; P941-L943 PolarHBondContact O-N 2.85Å | ||
| 942 | G | 38.5 | Very low | 36.3 | Very low | 72 Ų | 72 | 120.9 Ų | 120.9 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | -55.2 | 125.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | M940 P944 | M940-G942 PolarHBondContact O-N 2.83Å; G942-P944 VanDerWaalsContact O-N 3.14Å | ||
| 943 | L | 36.3 | Very low | 36 | Very low | 162 Ų | 162 | 120.2 Ų | 120.2 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | trans | -9.7 | 97.8 | -169.6 | -87 | 168.8 | 0 | 0 | 0 | 114.5 | P941 G945 | P941-L943 PolarHBondContact O-N 2.85Å; L943-G945 PolarHBondContact O-N 2.88Å | ||
| 944 | P | 35.8 | Very low | 35.7 | Very low | 102 Ų | 102 | 119.5 Ų | 119.5 | 66% | 0.662 | 75% | 0.747 | S | S | * | * | trans | -50.2 | 119 | 169.4 | -27.5 | 35.7 | 0 | 0 | 0 | 109.4 | G942 L946 | G942-P944 VanDerWaalsContact O-N 3.14Å; P944-L946 PolarHBondContact O-N 3.45Å | ||
| 945 | G | 37.6 | Very low | 35.7 | Very low | 43 Ų | 43 | 117.2 Ų | 117.2 | 44% | 0.443 | 74% | 0.739 | S | S | . | * | trans | -62.4 | 137.6 | -179 | 0 | 0 | 0 | 0 | 0 | 110.3 | L943 K947 | L943-G945 PolarHBondContact O-N 2.88Å; G945-K947 PolarHBondContact O-N 3.06Å | ||
| 946 | L | 35.6 | Very low | 35.9 | Very low | 178 Ų | 178 | 115.1 Ų | 115.1 | 93% | 0.932 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -69.3 | 71.6 | 168.3 | -81.5 | 171.9 | 0 | 0 | 0 | 110.9 | P944 | P944-L946 PolarHBondContact O-N 3.45Š|
| 947 | K | 38.7 | Very low | 36.4 | Very low | 205 Ų | 205 | 114.5 Ų | 114.5 | 89% | 0.891 | 72% | 0.719 | S | S | * | * | trans | -171.1 | 111.8 | 158.9 | -161.7 | 172.4 | -171 | 176.6 | 0 | 108.1 | G945 | G945-K947 PolarHBondContact O-N 3.06Š| ||
| 948 | G | 47.8 | Very low | 37 | Very low | 59 Ų | 59 | 116.7 Ų | 116.7 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | cis | 168.2 | 158.4 | -4.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | A950 | G948-A950 PolarHBondContact O-N 3.3Å; G948-A950 VanDerWaalsContact O-N 3.16Å | ||
| 949 | P | 34.1 | Very low | 37.2 | Very low | 144 Ų | 144 | 114.5 Ų | 114.5 | 94% | 0.935 | 71% | 0.712 | S | S | * | * | trans | -71.9 | 110.5 | -179.4 | 28.5 | -33.3 | 0 | 0 | 0 | 111.4 | ||||
| 950 | A | 45.8 | Very low | 37.3 | Very low | 104 Ų | 104 | 113.5 Ų | 113.5 | 86% | 0.86 | 70% | 0.702 | S | S | * | * | trans | -129.1 | 129.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 108 | G948 | G948-A950 PolarHBondContact O-N 3.3Å; G948-A950 VanDerWaalsContact O-N 3.16Å | ||
| 951 | G | 39.1 | Very low | 37.7 | Very low | 64 Ų | 64 | 112.6 Ų | 112.6 | 66% | 0.66 | 70% | 0.7 | S | S | * | * | cis | 156.2 | 179.4 | -5.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 952 | K | 30.7 | Very low | 37.7 | Very low | 170 Ų | 170 | 113.7 Ų | 113.7 | 74% | 0.739 | 71% | 0.707 | S | S | * | * | trans | 65.5 | 156 | 179.9 | -41.4 | -175.2 | -178.7 | -175.7 | 0 | 113.5 | G861 | G861-K952 PolarHBondContact O-NZ 2.93Š| ||
| 953 | V | 29.7 | Very low | 38.1 | Very low | 99 Ų | 99 | 113.2 Ų | 113.2 | 60% | 0.6 | 70% | 0.702 | S | S | * | * | cis | -132.9 | 129.9 | 7.1 | -162.2 | 0 | 0 | 0 | 0 | 107.2 | Q857 | Q857-V953 HydrophobicContact CG-CG1 4.29Å; Q857-V953 PolarHBondContact NE2-O 3.34Å | ||
| 954 | G | 33.1 | Very low | 38.4 | Very low | 48 Ų | 48 | 111.7 Ų | 111.7 | 50% | 0.495 | 70% | 0.702 | S | S | . | * | 89.2 | 125.4 | 109.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q857 | Q857-G954 PolarHBondContact NE2-O 3.35Š| |||
| 955 | E | 31.2 | Very low | 38.2 | Very low | 149 Ų | 149 | 118 Ų | 118 | 70% | 0.696 | 71% | 0.712 | S | S | * | * | 72.4 | 142.5 | 86.3 | -79.7 | -157.2 | 140.7 | 0 | 0 | 115.5 | |||||
| 956 | P | 39 | Very low | 38.1 | Very low | 79 Ų | 79 | 118.4 Ų | 118.4 | 51% | 0.513 | 72% | 0.717 | S | S | . | * | cis | -147.1 | 134.8 | -28.7 | 36.2 | -16.6 | 0 | 0 | 0 | 116.9 | ||||
| 957 | G | 41.9 | Very low | 37.7 | Very low | 59 Ų | 59 | 116.7 Ų | 116.7 | 61% | 0.608 | 71% | 0.708 | S | S | * | * | 69.2 | 145.1 | 122.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 958 | R | 43.7 | Very low | 37.3 | Very low | 213 Ų | 213 | 114.3 Ų | 114.3 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | trans | 71.1 | 171.1 | 171.8 | -56.8 | 176.9 | -177 | -98.9 | -3.7 | 112.6 | E851 G852 | E851-R958 VanDerWaalsContact CA-C 3.48Å; G852-R958 VanDerWaalsContact N-C 3.32Å; G852-R958 WeakPolarHBondContact O-CB 3.18Å | ||
| 959 | P | 38.6 | Very low | 36.7 | Very low | 95 Ų | 95 | 114.2 Ų | 114.2 | 62% | 0.617 | 71% | 0.71 | S | S | * | * | cis | -66.3 | -154.8 | 20 | 3 | -2.6 | 0 | 0 | 0 | 114.6 | K850 E851 G852 | K850-P959 VanDerWaalsContact C-C 3.49Å; K850-P959 CarbonylContact C-O 3.47Å; K850-P959 VanDerWaalsContact C-O 3.29Å; K850-P959 CarbonylContact O-C 3.55Å; E851-P959 VanDerWaalsContact CA-CA 3.41Å; E851-P959 VanDerWaalsContact CA-CG 3.49Å; E851-P959 HydrophobicContact CB-CG 3.76Å; E851-P959 PolarHBondContact N-O 3.1Å; E851-P959 CarbonylContact O-C 3.59Å; E851-P959 WeakPolarHBondContact O-CA 3.44Å; E851-P959 WeakPolarHBondContact O-CB 3.47Å; E851-P959 WeakPolarHBondContact O-CD 3.38Å; E851-P959 WeakPolarHBondContact O-CG 3.48Å; G852-P959 VanDerWaalsContact O-CA 3.27Å; G852-P959 WeakPolarHBondContact O-CA 3.32Å | ||
| 960 | G | 38.4 | Very low | 36.4 | Very low | 46 Ų | 46 | 115.7 Ų | 115.7 | 47% | 0.474 | 70% | 0.702 | S | S | . | * | cis | -162.2 | -62.8 | 10.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | K850 E851 | K850-G960 PolarHBondContact O-N 3.26Å; E851-G960 WeakPolarHBondContact O-CA 3.44Å; E851-G960 PolarHBondContact O-N 2.82Å | ||
| 961 | L | 39.1 | Very low | 35.7 | Very low | 168 Ų | 168 | 113.8 Ų | 113.8 | 88% | 0.88 | 69% | 0.686 | S | S | * | * | trans | 86.1 | 153.4 | -162.6 | -57.9 | 165.2 | 0 | 0 | 0 | 114.6 | ||||
| 962 | P | 37.6 | Very low | 35.5 | Very low | 129 Ų | 129 | 112.8 Ų | 112.8 | 84% | 0.838 | 68% | 0.676 | S | S | * | * | -121.1 | 156.6 | 87.2 | -3 | 24.2 | 0 | 0 | 0 | 116.1 | |||||
| 963 | G | 47.4 | Very low | 36.1 | Very low | 62 Ų | 62 | 114 Ų | 114 | 64% | 0.639 | 68% | 0.682 | S | S | * | * | trans | -95 | -155.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 964 | P | 41.8 | Very low | 36.3 | Very low | 130 Ų | 130 | 115.5 Ų | 115.5 | 84% | 0.844 | 69% | 0.693 | S | S | * | * | cis | -141 | -156 | 13.6 | 44.7 | -25.7 | 0 | 0 | 0 | 114.8 | ||||
| 965 | R | 32.4 | Very low | 36.1 | Very low | 234 Ų | 234 | 116 Ų | 116 | 88% | 0.883 | 70% | 0.698 | S | S | * | * | trans | 87 | 127.3 | 174.2 | -139 | 174.5 | -170.6 | 163 | 3.6 | 113.3 | ||||
| 966 | G | 34.1 | Very low | 36.2 | Very low | 52 Ų | 52 | 115.6 Ų | 115.6 | 54% | 0.536 | 71% | 0.706 | S | S | . | * | cis | 102.2 | 127.3 | 23.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 967 | D | 27.3 | Very low | 35.8 | Very low | 141 Ų | 141 | 119.4 Ų | 119.4 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | cis | -155.2 | 173.2 | 8.9 | -59.6 | -69.9 | 0 | 0 | 0 | 110.1 | ||||
| 968 | V | 30.1 | Very low | 35.9 | Very low | 155 Ų | 155 | 120 Ų | 120 | 94% | 0.939 | 73% | 0.728 | S | S | * | * | trans | 70 | 144.6 | 165 | -176.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 969 | G | 36.5 | Very low | 35.6 | Very low | 58 Ų | 58 | 118.4 Ų | 118.4 | 60% | 0.598 | 73% | 0.734 | S | S | * | * | cis | -165.5 | -169 | 5.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 970 | F | 27.3 | Very low | 35.6 | Very low | 175 Ų | 175 | 121.6 Ų | 121.6 | 77% | 0.768 | 75% | 0.745 | S | S | * | * | trans | -88.6 | 160.3 | -163.5 | -94.7 | -105.2 | 0 | 0 | 0 | 117 | P1436 P1438 | F970-P1436 CarbonylContact O-C 3.56Å; F970-P1436 WeakPolarHBondContact O-CG 3.23Å; F970-P1438 HydrophobicContact CB-CB 4.47Å | ||
| 971 | A | 31.5 | Very low | 35.2 | Very low | 63 Ų | 63 | 122.4 Ų | 122.4 | 52% | 0.521 | 75% | 0.753 | S | S | . | * | trans | -21.5 | 159.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 120 | G1437 P1438 | A971-G1437 CarbonylContact O-C 3.5Å; A971-G1437 WeakPolarHBondContact O-CA 3.23Å; A971-G1437 PolarHBondContact O-N 2.97Å; A971-G1437 VanDerWaalsContact O-O 3.13Å; A971-P1438 WeakPolarHBondContact O-CA 3.33Å; A971-P1438 VanDerWaalsContact O-CB 3.23Å; A971-P1438 WeakPolarHBondContact O-CB 3.33Å | ||
| 972 | G | 34.5 | Very low | 35.4 | Very low | 44 Ų | 44 | 123.5 Ų | 123.5 | 45% | 0.454 | 75% | 0.753 | S | S | . | * | trans | -164.6 | 132.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | G1437 | G972-G1437 WeakPolarHBondContact CA-O 3.23Š| ||
| 973 | K | 42.4 | Very low | 35 | Very low | 196 Ų | 196 | 123.2 Ų | 123.2 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | trans | -129.2 | 146.1 | 164.3 | -61.5 | 178.6 | -178.4 | 177.3 | 0 | 104.9 | ||||
| 974 | P | 33.9 | Very low | 34.5 | Very low | 129 Ų | 129 | 124.1 Ų | 124.1 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | -121.5 | -171.4 | 53.4 | 7.8 | 17.8 | 0 | 0 | 0 | 112.2 | |||||
| 975 | G | 30 | Very low | 34.2 | Very low | 59 Ų | 59 | 126 Ų | 126 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | cis | 115.9 | 121 | 1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 976 | V | 33 | Very low | 34.6 | Very low | 140 Ų | 140 | 120.7 Ų | 120.7 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | trans | 55.2 | 160.1 | -173.3 | -92.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 977 | D | 30.5 | Very low | 34.4 | Very low | 159 Ų | 159 | 121.6 Ų | 121.6 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | cis | -123 | -176 | 8.4 | -88.4 | -60.9 | 0 | 0 | 0 | 112.2 | ||||
| 978 | G | 44 | Very low | 34.6 | Very low | 72 Ų | 72 | 122.2 Ų | 122.2 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | 152.8 | 23.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | I980 | G978-I980 PolarHBondContact O-N 2.87Š| ||
| 979 | L | 37.4 | Very low | 34.6 | Very low | 179 Ų | 179 | 122.6 Ų | 122.6 | 94% | 0.937 | 77% | 0.768 | S | S | * | * | trans | -69.8 | 108.5 | 173.3 | -84.3 | 169 | 0 | 0 | 0 | 111.8 | ||||
| 980 | I | 39.1 | Very low | 34.5 | Very low | 163 Ų | 163 | 122.9 Ų | 122.9 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -144.9 | 124.1 | 148.3 | -91.6 | 148 | 0 | 0 | 0 | 102.7 | G978 | G978-I980 PolarHBondContact O-N 2.87Š| ||
| 981 | G | 30.6 | Very low | 34.8 | Very low | 62 Ų | 62 | 122 Ų | 122 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | 78.2 | 122.6 | 78.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 982 | E | 41.3 | Very low | 34.9 | Very low | 191 Ų | 191 | 128.4 Ų | 128.4 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | cis | -136.7 | 144.5 | 39.4 | -73.3 | 166.9 | 155.1 | 0 | 0 | 115.2 | ||||
| 983 | S | 29.5 | Very low | 34.7 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -52.7 | 142.9 | 159.2 | 45.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 984 | G | 36.8 | Very low | 34.1 | Very low | 81 Ų | 81 | 128.5 Ų | 128.5 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -163.7 | 38.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 985 | L | 35.8 | Very low | 34.1 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -82.5 | 161 | 161.1 | -72.1 | 164.3 | 0 | 0 | 0 | 109.6 | ||||
| 986 | P | 40.6 | Very low | 34.2 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | cis | -129.4 | -174.6 | -31.1 | 39.4 | -23.9 | 0 | 0 | 0 | 111.4 | ||||
| 987 | G | 31 | Very low | 34 | Very low | 71 Ų | 71 | 128 Ų | 128 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | 154.9 | 122.6 | 158 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 988 | I | 30.1 | Very low | 34.3 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -18.5 | 138.4 | 152.1 | 43.4 | 167 | 0 | 0 | 0 | 120.7 | ||||
| 989 | I | 32 | Very low | 34.1 | Very low | 163 Ų | 163 | 125.2 Ų | 125.2 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | 62 | 130.7 | 142.9 | -54.4 | 165.5 | 0 | 0 | 0 | 117.8 | ||||
| 990 | G | 33.9 | Very low | 33.9 | Very low | 63 Ų | 63 | 125.1 Ų | 125.1 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | cis | 149.2 | 97.8 | -2.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 991 | L | 33.8 | Very low | 34.1 | Very low | 157 Ų | 157 | 123.3 Ų | 123.3 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -140 | 138.4 | 173 | -69.4 | 175.2 | 0 | 0 | 0 | 108 | ||||
| 992 | K | 32.2 | Very low | 34.7 | Very low | 198 Ų | 198 | 123.7 Ų | 123.7 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | 68 | 107.1 | 53.7 | -173.6 | -167.6 | 178.5 | -173.3 | 0 | 111.7 | |||||
| 993 | G | 31.6 | Very low | 34.2 | Very low | 64 Ų | 64 | 119.3 Ų | 119.3 | 66% | 0.66 | 81% | 0.812 | S | S | * | * | cis | 156.8 | 147.3 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 994 | L | 28.3 | Very low | 34.9 | Very low | 177 Ų | 177 | 119 Ų | 119 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | trans | 65.4 | 165.5 | -175.4 | -51.6 | 170.3 | 0 | 0 | 0 | 114.7 | ||||
| 995 | P | 34.7 | Very low | 35.3 | Very low | 133 Ų | 133 | 118.1 Ų | 118.1 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | cis | -111.1 | -161.5 | -19.5 | 33.6 | -15.8 | 0 | 0 | 0 | 111.2 | ||||
| 996 | G | 31.9 | Very low | 35.1 | Very low | 79 Ų | 79 | 120.3 Ų | 120.3 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | -149.7 | -177.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 997 | A | 29.4 | Very low | 34.9 | Very low | 107 Ų | 107 | 124 Ų | 124 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | trans | -155.5 | 154.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 998 | A | 36.8 | Very low | 35.4 | Very low | 99 Ų | 99 | 123.9 Ų | 123.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | cis | -132.9 | 159.5 | -5.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 999 | G | 39.6 | Very low | 35.6 | Very low | 73 Ų | 73 | 125 Ų | 125 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 151.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1000 | L | 33.5 | Very low | 35.9 | Very low | 177 Ų | 177 | 123 Ų | 123 | 93% | 0.927 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 125.7 | 162.1 | -76.3 | 168.3 | 0 | 0 | 0 | 108.8 | ||
| 1001 | P | 43 | Very low | 36.1 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 151.9 | -178.3 | -25.8 | 35.9 | 0 | 0 | 0 | 114.1 | ||
| 1002 | G | 42.5 | Very low | 36.1 | Very low | 69 Ų | 69 | 125.7 Ų | 125.7 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 165.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P1004 | G1002-P1004 WeakPolarHBondContact O-CD 3.41Š|
| 1003 | A | 32.3 | Very low | 36.1 | Very low | 99 Ų | 99 | 124.3 Ų | 124.3 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 127.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | G1005 | A1003-G1005 PolarHBondContact O-N 3.37Š|
| 1004 | P | 42.4 | Very low | 36.3 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 133.9 | 166.7 | -24.6 | 35.5 | 0 | 0 | 0 | 111.3 | G1002 | G1002-P1004 WeakPolarHBondContact O-CD 3.41Š|
| 1005 | G | 45.7 | Very low | 36.4 | Very low | 62 Ų | 62 | 122.6 Ų | 122.6 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 162 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1003 Q1007 | A1003-G1005 PolarHBondContact O-N 3.37Å; G1005-Q1007 PolarHBondContact O-N 3.03Å |
| 1006 | K | 32.7 | Very low | 36.2 | Very low | 217 Ų | 217 | 123.1 Ų | 123.1 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 119.3 | 172.6 | -65.4 | 179.5 | -179.5 | 178.5 | 0 | 111.2 | ||
| 1007 | Q | 35.2 | Very low | 36.3 | Very low | 201 Ų | 201 | 124.1 Ų | 124.1 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | trans | -162 | 132.5 | 162.4 | -151.8 | 173.1 | 14 | 0 | 0 | 107.7 | G1005 | G1005-Q1007 PolarHBondContact O-N 3.03Š| ||
| 1008 | G | 41.1 | Very low | 36.4 | Very low | 68 Ų | 68 | 124.7 Ų | 124.7 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | cis | -165.5 | 164 | -11.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1009 | L | 35 | Very low | 36.7 | Very low | 178 Ų | 178 | 121.7 Ų | 121.7 | 93% | 0.932 | 74% | 0.738 | S | S | * | * | trans | -73.4 | 151.8 | 171.9 | -80.5 | 172.8 | 0 | 0 | 0 | 110.5 | ||||
| 1010 | P | 39.3 | Very low | 36.7 | Very low | 121 Ų | 121 | 119 Ų | 119 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | trans | -84.4 | 163.4 | -147.9 | 32.6 | -38.1 | 0 | 0 | 0 | 115.4 | ||||
| 1011 | G | 36.8 | Very low | 36.7 | Very low | 76 Ų | 76 | 119.7 Ų | 119.7 | 78% | 0.784 | 71% | 0.706 | S | S | * | * | trans | -132.2 | 150.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1012 | E | 33.9 | Very low | 36.4 | Very low | 200 Ų | 200 | 125.4 Ų | 125.4 | 94% | 0.935 | 71% | 0.712 | S | S | * | * | trans | -89.1 | 147.6 | -173.1 | -65.4 | -171.7 | 104.6 | 0 | 0 | 114.4 | ||||
| 1013 | K | 32.1 | Very low | 36.1 | Very low | 169 Ų | 169 | 124.9 Ų | 124.9 | 74% | 0.735 | 71% | 0.706 | S | S | * | * | trans | 18.7 | 119.1 | 153.7 | -164.9 | -167.2 | 175.8 | -152.1 | 0 | 120.7 | E1015 | K1013-E1015 WeakPolarHBondContact CE-OE1 3.42Å; K1013-E1015 IonicContact NZ-OE1 3.18Å; K1013-E1015 PolarHBondContact NZ-OE1 3.22Å | ||
| 1014 | G | 35.8 | Very low | 36.1 | Very low | 66 Ų | 66 | 128.5 Ų | 128.5 | 68% | 0.68 | 71% | 0.711 | S | S | * | * | -125.2 | 149.7 | 128.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 1015 | E | 30.6 | Very low | 35.6 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 65% | 0.645 | 72% | 0.716 | S | S | * | * | cis | 55.5 | 124.3 | 39.5 | -76.5 | 172.3 | -158.3 | 0 | 0 | 113.2 | K1013 | K1013-E1015 WeakPolarHBondContact CE-OE1 3.42Å; K1013-E1015 IonicContact NZ-OE1 3.18Å; K1013-E1015 PolarHBondContact NZ-OE1 3.22Å | ||
| 1016 | Q | 30.6 | Very low | 35.2 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | cis | -147.8 | -163 | -10.8 | -145.2 | 160.5 | -14.7 | 0 | 0 | 108.6 | ||||
| 1017 | N | 34 | Very low | 35.4 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 54% | 0.535 | 72% | 0.716 | S | S | . | * | trans | -176.2 | 92.2 | 157.6 | -112.1 | -96.6 | 0 | 0 | 0 | 111.6 | R387 D390 P1019 | R387-N1017 PolarHBondContact NH2-O 3.03Å; D390-N1017 VanDerWaalsContact OD2-CA 3.23Å; D390-N1017 WeakPolarHBondContact OD2-CA 3.39Å; D390-N1017 PolarHBondContact OD2-N 3.13Å; N1017-P1019 WeakPolarHBondContact O-CG 3.05Å | ||
| 1018 | E | 31.3 | Very low | 35.9 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 56% | 0.556 | 71% | 0.712 | S | S | * | * | trans | -60.1 | 139.4 | 135.3 | -59.4 | -171.4 | 111.2 | 0 | 0 | 109.1 | G388 K389 D390 | G388-E1018 CarbonylContact O-C 3.45Å; G388-E1018 WeakPolarHBondContact O-CB 3.37Å; K389-E1018 CarbonylContact C-O 3.48Å; K389-E1018 WeakPolarHBondContact CA-O 3.4Å; D390-E1018 HydrophobicContact CB-CB 4.45Å; D390-E1018 VanDerWaalsContact N-C 3.32Å; D390-E1018 PolarHBondContact N-O 2.91Å; D390-E1018 WeakPolarHBondContact OD1-CA 3.05Å; D390-E1018 WeakPolarHBondContact OD1-CB 3.02Å; D390-E1018 PolarHBondContact OD1-N 3.34Å | ||
| 1019 | P | 44.1 | Very low | 35.5 | Very low | 35 Ų | 35 | 124.7 Ų | 124.7 | 23% | 0.227 | 72% | 0.718 | C | S | . | * | trans | -138.6 | 31 | -134.2 | 19.1 | 9.2 | 0 | 0 | 0 | 119.7 | R387 G388 N1017 | R387-P1019 HydrophobicContact CB-CB 3.76Å; R387-P1019 HydrophobicContact CB-CG 3.49Å; R387-P1019 VanDerWaalsContact CB-CG 3.49Å; R387-P1019 HydrophobicContact CG-CB 4.03Å; R387-P1019 HydrophobicContact CG-CG 3.57Å; G388-P1019 VanDerWaalsContact C-CD 3.43Å; G388-P1019 WeakPolarHBondContact O-CD 3.42Å; N1017-P1019 WeakPolarHBondContact O-CG 3.05Å | ||
| 1020 | G | 37.9 | Very low | 35.4 | Very low | 17 Ų | 17 | 125.3 Ų | 125.3 | 18% | 0.175 | 72% | 0.716 | C | S | . | * | trans | -172.1 | 140 | 172.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | G388 K389 | G388-G1020 CarbonylContact C-O 3.51Å; G388-G1020 WeakPolarHBondContact CA-O 3.04Å; K389-G1020 VanDerWaalsContact CA-N 3.31Å; K389-G1020 WeakPolarHBondContact CB-O 3.44Å; K389-G1020 PolarHBondContact N-O 2.96Å | ||
| 1021 | F | 34.7 | Very low | 35.6 | Very low | 192 Ų | 192 | 125.6 Ų | 125.6 | 84% | 0.842 | 72% | 0.718 | S | S | * | * | trans | -160.6 | 152.3 | 146.8 | -119.3 | -66.7 | 0 | 0 | 0 | 108.2 | ||||
| 1022 | R | 37 | Very low | 35.6 | Very low | 244 Ų | 244 | 125.1 Ų | 125.1 | 92% | 0.921 | 71% | 0.713 | S | S | * | * | trans | -155.7 | 143.9 | -166 | 178.6 | -172.2 | -172.2 | -167.5 | 4.2 | 107.4 | ||||
| 1023 | G | 35.4 | Very low | 35.5 | Very low | 58 Ų | 58 | 121.5 Ų | 121.5 | 60% | 0.598 | 71% | 0.71 | S | S | * | * | cis | -172.5 | -139.3 | 1.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1024 | L | 32.7 | Very low | 35.6 | Very low | 175 Ų | 175 | 118.6 Ų | 118.6 | 92% | 0.916 | 72% | 0.718 | S | S | * | * | trans | 78.8 | 146.1 | -175.1 | -54.3 | 170.5 | 0 | 0 | 0 | 114.3 | ||||
| 1025 | K | 31.6 | Very low | 35.3 | Very low | 201 Ų | 201 | 120.6 Ų | 120.6 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | cis | -167 | 145 | -18.1 | 168.1 | -177.6 | 177.5 | -172.3 | 0 | 108.8 | ||||
| 1026 | G | 37.3 | Very low | 35.5 | Very low | 76 Ų | 76 | 119.1 Ų | 119.1 | 78% | 0.784 | 74% | 0.739 | S | S | * | * | trans | 111.8 | 146.2 | 152.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1027 | A | 36.5 | Very low | 35.7 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 79% | 0.793 | 75% | 0.752 | S | S | * | * | trans | -152.2 | -178.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1028 | P | 45.6 | Very low | 36.4 | Very low | 133 Ų | 133 | 122.6 Ų | 122.6 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | cis | -119.7 | -176.3 | -24.9 | 39 | -24.9 | 0 | 0 | 0 | 111.6 | ||||
| 1029 | G | 33.2 | Very low | 36.6 | Very low | 80 Ų | 80 | 123.1 Ų | 123.1 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | 158.9 | 122.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1030 | E | 33 | Very low | 36.4 | Very low | 190 Ų | 190 | 129.3 Ų | 129.3 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -100.4 | -179.3 | 152 | -68.3 | -170.9 | 143.5 | 0 | 0 | 108.6 | ||||
| 1031 | P | 44.3 | Very low | 36.8 | Very low | 127 Ų | 127 | 132 Ų | 132 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | cis | -124.6 | -171.9 | -48.1 | 34.3 | -18.2 | 0 | 0 | 0 | 111.1 | ||||
| 1032 | G | 35.5 | Very low | 37.1 | Very low | 66 Ų | 66 | 128.8 Ų | 128.8 | 68% | 0.68 | 83% | 0.831 | S | S | * | * | trans | 155 | 73.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1033 | S | 31.8 | Very low | 36.8 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | 75.5 | 96.4 | 76.5 | 78.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1034 | A | 34.5 | Very low | 36.9 | Very low | 109 Ų | 109 | 124.1 Ų | 124.1 | 90% | 0.901 | 83% | 0.832 | S | S | * | * | trans | -143.5 | 129.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1035 | A | 30.8 | Very low | 37.2 | Very low | 107 Ų | 107 | 121.3 Ų | 121.3 | 88% | 0.884 | 82% | 0.824 | S | S | * | * | trans | -116.6 | 140.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1036 | A | 33.9 | Very low | 37.2 | Very low | 108 Ų | 108 | 118.4 Ų | 118.4 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | -152.9 | 149.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1037 | R | 33.5 | Very low | 37.2 | Very low | 250 Ų | 250 | 118.5 Ų | 118.5 | 94% | 0.943 | 82% | 0.824 | S | S | * | * | trans | -142.5 | 126.4 | -176.7 | 173.1 | -170.1 | 172.7 | -149.2 | -2.5 | 109.6 | ||||
| 1038 | G | 48.7 | Very low | 37.2 | Very low | 68 Ų | 68 | 123.4 Ų | 123.4 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | trans | 75 | 175.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1039 | P | 36.4 | Very low | 36.5 | Very low | 129 Ų | 129 | 121.9 Ų | 121.9 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | cis | -117.2 | -174.5 | 12.7 | 41.6 | -30.5 | 0 | 0 | 0 | 115.1 | ||||
| 1040 | D | 39 | Very low | 36.7 | Very low | 165 Ų | 165 | 121.9 Ų | 121.9 | 88% | 0.882 | 83% | 0.826 | S | S | * | * | trans | -101 | 161.1 | -171.3 | -55.3 | -85.4 | 0 | 0 | 0 | 115.9 | ||||
| 1041 | G | 48.4 | Very low | 36.8 | Very low | 75 Ų | 75 | 119.6 Ų | 119.6 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | 90 | 167.3 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1042 | P | 39.1 | Very low | 36.4 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 80% | 0.799 | 83% | 0.831 | S | S | * | * | cis | -129.7 | 167.2 | 11.3 | 41.6 | -26.7 | 0 | 0 | 0 | 117.5 | ||||
| 1043 | V | 32.1 | Very low | 36.3 | Very low | 135 Ų | 135 | 123.1 Ų | 123.1 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | 10.7 | 121.8 | 142.6 | -172.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1044 | G | 37.7 | Very low | 36.9 | Very low | 70 Ų | 70 | 122.3 Ų | 122.3 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | 108.1 | -172.1 | 64.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1045 | P | 38.8 | Very low | 36.7 | Very low | 115 Ų | 115 | 125.2 Ų | 125.2 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | cis | -134 | -175.5 | -11.6 | 44.6 | -28.7 | 0 | 0 | 0 | 114.1 | ||||
| 1046 | V | 30.5 | Very low | 37.2 | Very low | 140 Ų | 140 | 123.5 Ų | 123.5 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | 53.4 | 125.2 | 154.8 | 173.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1047 | G | 38.5 | Very low | 37.1 | Very low | 78 Ų | 78 | 124.5 Ų | 124.5 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -160.7 | 52.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1048 | F | 36.1 | Very low | 37.1 | Very low | 200 Ų | 200 | 121.5 Ų | 121.5 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -88.5 | 167.3 | 177.9 | -90.4 | -81.1 | 0 | 0 | 0 | 112.4 | ||||
| 1049 | A | 30 | Very low | 36.7 | Very low | 101 Ų | 101 | 121.2 Ų | 121.2 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | 75.6 | 150.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1050 | G | 38.1 | Very low | 36.6 | Very low | 79 Ų | 79 | 123 Ų | 123 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | cis | -106.8 | 133.9 | 6.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1051 | T | 34.2 | Very low | 36.5 | Very low | 142 Ų | 142 | 125 Ų | 125 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | trans | -82 | 119.8 | 157.6 | 46.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1052 | Q | 37.8 | Very low | 35.9 | Very low | 202 Ų | 202 | 124.1 Ų | 124.1 | 94% | 0.944 | 79% | 0.79 | S | S | * | * | trans | -140.8 | 149.6 | 151.3 | -79.9 | -171.6 | -19.4 | 0 | 0 | 107.5 | ||||
| 1053 | G | 32 | Very low | 35.6 | Very low | 65 Ų | 65 | 127.8 Ų | 127.8 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | cis | 159.5 | 130.8 | 0.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1054 | P | 45.6 | Very low | 35.8 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -91.1 | 176.4 | -168 | 37.4 | -38.1 | 0 | 0 | 0 | 114.2 | ||||
| 1055 | H | 29.4 | Very low | 35.7 | Very low | 170 Ų | 170 | 130 Ų | 130 | 79% | 0.787 | 80% | 0.796 | S | S | * | * | trans | 77.8 | 157.4 | 173.1 | -46.3 | -22.2 | 0 | 0 | 0 | 115.4 | V1057 | H1055-V1057 HydrophobicContact CB-CG2 4.36Š| ||
| 1056 | G | 40.9 | Very low | 35.5 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | cis | -86.2 | 159.9 | -12.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1057 | V | 32.6 | Very low | 35.7 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | cis | 68.3 | 139.7 | 27.7 | -159.4 | 0 | 0 | 0 | 0 | 114 | H1055 | H1055-V1057 HydrophobicContact CB-CG2 4.36Š| ||
| 1058 | Q | 33.7 | Very low | 35.5 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | 88.1 | 128.1 | 167.7 | -149.3 | 168.2 | 18.3 | 0 | 0 | 117.1 | ||||
| 1059 | G | 40 | Very low | 35.7 | Very low | 61 Ų | 61 | 132.1 Ų | 132.1 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | cis | -173.7 | 141.8 | -6.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1060 | I | 35.1 | Very low | 36 | Very low | 166 Ų | 166 | 131 Ų | 131 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | 23.7 | 120.7 | 134 | 48.5 | 162.8 | 0 | 0 | 0 | 120.8 | ||||
| 1061 | K | 36.4 | Very low | 36.2 | Very low | 209 Ų | 209 | 135.5 Ų | 135.5 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | -161.1 | 141.4 | 125.4 | -163.2 | 172.8 | -177.3 | 178.9 | 0 | 109.7 | |||||
| 1062 | G | 35.8 | Very low | 36.6 | Very low | 56 Ų | 56 | 135 Ų | 135 | 58% | 0.577 | 81% | 0.805 | S | S | * | * | cis | 153.4 | 99.4 | -9.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1063 | E | 32.1 | Very low | 36.5 | Very low | 200 Ų | 200 | 129.1 Ų | 129.1 | 94% | 0.935 | 80% | 0.799 | S | S | * | * | trans | 59.2 | 131.6 | 149.3 | -60.1 | 176.1 | 147.5 | 0 | 0 | 122.5 | ||||
| 1064 | M | 35.8 | Very low | 36.8 | Very low | 195 Ų | 195 | 130.4 Ų | 130.4 | 96% | 0.961 | 80% | 0.803 | S | S | * | * | 158.7 | 137 | 127.5 | -172.4 | 172.8 | 71.4 | 0 | 0 | 109.7 | |||||
| 1065 | G | 36.7 | Very low | 36.6 | Very low | 56 Ų | 56 | 133.4 Ų | 133.4 | 58% | 0.577 | 81% | 0.813 | S | S | * | * | cis | 177.6 | 136.7 | -9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1066 | D | 34.6 | Very low | 36.9 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | 53.9 | 141.6 | 149.7 | -54.7 | -35.6 | 0 | 0 | 0 | 125.9 | ||||
| 1067 | S | 35.3 | Very low | 37.1 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | 104.9 | 135.1 | 136.6 | 74.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 1068 | L | 32.5 | Very low | 37.8 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -106.5 | -178.3 | 173.8 | -71.6 | 159.5 | 0 | 0 | 0 | 108.6 | ||||
| 1069 | P | 41.1 | Very low | 37.7 | Very low | 128 Ų | 128 | 129 Ų | 129 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | cis | -128.4 | 176.7 | -31.3 | 31.7 | -13.7 | 0 | 0 | 0 | 112.6 | ||||
| 1070 | G | 37 | Very low | 38.1 | Very low | 78 Ų | 78 | 135.1 Ų | 135.1 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | 178.1 | 131.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1071 | L | 41.6 | Very low | 38.5 | Very low | 174 Ų | 174 | 133.2 Ų | 133.2 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | trans | -128.5 | 161.9 | 160.5 | -75.5 | 168.4 | 0 | 0 | 0 | 106.8 | ||||
| 1072 | P | 41.7 | Very low | 38.5 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | cis | -128.3 | -177.7 | -13.3 | 40.4 | -24.9 | 0 | 0 | 0 | 113.1 | ||||
| 1073 | G | 37.3 | Very low | 39.1 | Very low | 78 Ų | 78 | 134.1 Ų | 134.1 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | trans | 168.9 | 151.2 | 168 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1074 | A | 37.4 | Very low | 39.5 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 75% | 0.752 | 83% | 0.833 | S | S | * | * | trans | -136.7 | 153.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1075 | D | 41.5 | Very low | 39.4 | Very low | 171 Ų | 171 | 124.9 Ų | 124.9 | 91% | 0.914 | 82% | 0.821 | S | S | * | * | trans | 63.4 | 136 | 159.8 | -56.9 | -18 | 0 | 0 | 0 | 121.5 | ||||
| 1076 | G | 34.8 | Very low | 39.9 | Very low | 82 Ų | 82 | 128.4 Ų | 128.4 | 85% | 0.845 | 83% | 0.834 | S | S | * | * | trans | 166.6 | 72.7 | 176 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1077 | E | 45.6 | Very low | 39.8 | Very low | 187 Ų | 187 | 127.8 Ų | 127.8 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -87.9 | 169.9 | 158.4 | -93.4 | -155.3 | 145.6 | 0 | 0 | 111 | ||||
| 1078 | P | 46.7 | Very low | 40.1 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | cis | -132.9 | -174 | -16.2 | 32.9 | -12.7 | 0 | 0 | 0 | 113.3 | ||||
| 1079 | G | 32.7 | Very low | 39.9 | Very low | 77 Ų | 77 | 126 Ų | 126 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | -174 | 99.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1080 | Q | 48.6 | Very low | 39.5 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | -106.8 | 164 | 151 | -75.9 | -170.4 | 5.2 | 0 | 0 | 108 | ||||
| 1081 | P | 43.1 | Very low | 39.6 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | cis | -142.6 | -169.5 | 22.2 | 43.9 | -24.9 | 0 | 0 | 0 | 116 | ||||
| 1082 | G | 37.2 | Very low | 39.6 | Very low | 70 Ų | 70 | 132.4 Ų | 132.4 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | -172.2 | 87.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1083 | F | 48 | Very low | 39.6 | Very low | 214 Ų | 214 | 132 Ų | 132 | 94% | 0.939 | 82% | 0.817 | S | S | * | * | trans | -124.4 | 115.2 | 164.6 | -88.2 | -74.6 | 0 | 0 | 0 | 109.3 | ||||
| 1084 | P | 39.4 | Very low | 39.3 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | -142.2 | 174.8 | 119 | 36.4 | -21.5 | 0 | 0 | 0 | 111.6 | |||||
| 1085 | G | 34.9 | Very low | 39 | Very low | 69 Ų | 69 | 135.8 Ų | 135.8 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | cis | -165.1 | -176.8 | 3.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1086 | P | 47.6 | Very low | 38.7 | Very low | 131 Ų | 131 | 135 Ų | 135 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -111.4 | 178 | -154.2 | 41.4 | -37 | 0 | 0 | 0 | 117.1 | ||||
| 1087 | E | 31.6 | Very low | 38.7 | Very low | 147 Ų | 147 | 134 Ų | 134 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | trans | 108.3 | 132 | 153.1 | -163.8 | 155.2 | -141.1 | 0 | 0 | 118.2 | K1089 | E1087-K1089 HydrophobicContact CG-CG 4.47Å; E1087-K1089 WeakPolarHBondContact OE1-CD 3.09Å; E1087-K1089 WeakPolarHBondContact OE1-CE 3.24Å; E1087-K1089 IonicContact OE1-NZ 2.67Å; E1087-K1089 PolarHBondContact OE1-NZ 2.97Å | ||
| 1088 | G | 41 | Very low | 38 | Very low | 79 Ų | 79 | 132 Ų | 132 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | trans | 179.8 | 49.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1089 | K | 30.1 | Very low | 37.6 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -78.8 | 134.3 | -176.2 | -64.4 | 168.2 | 179.9 | 149.9 | 0 | 112.1 | E1087 | E1087-K1089 HydrophobicContact CG-CG 4.47Å; E1087-K1089 WeakPolarHBondContact OE1-CD 3.09Å; E1087-K1089 WeakPolarHBondContact OE1-CE 3.24Å; E1087-K1089 IonicContact OE1-NZ 2.67Å; E1087-K1089 PolarHBondContact OE1-NZ 2.97Å | ||
| 1090 | R | 31.3 | Very low | 38.2 | Very low | 242 Ų | 242 | 137.8 Ų | 137.8 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | 161.9 | 131.9 | 123.5 | -176.3 | 171.2 | -65.2 | -143.7 | 0.1 | 111.3 | |||||
| 1091 | G | 38.7 | Very low | 37.3 | Very low | 77 Ų | 77 | 133.4 Ų | 133.4 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -166 | 3.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1092 | F | 42.5 | Very low | 37 | Very low | 195 Ų | 195 | 136.7 Ų | 136.7 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -101.9 | 149.9 | 158.2 | -64.9 | -83.6 | 0 | 0 | 0 | 106.8 | ||||
| 1093 | P | 41.1 | Very low | 37 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | cis | -125.3 | -175.2 | 29.6 | 37 | -19.1 | 0 | 0 | 0 | 114.1 | ||||
| 1094 | G | 31.8 | Very low | 36.1 | Very low | 65 Ų | 65 | 135.6 Ų | 135.6 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | cis | 134.7 | 172.8 | -6.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1095 | Q | 30.4 | Very low | 36.4 | Very low | 184 Ų | 184 | 135.3 Ų | 135.3 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | 68.8 | 162.6 | 170.6 | -60.1 | 175.2 | -2.4 | 0 | 0 | 116.1 | ||||
| 1096 | M | 35.2 | Very low | 36.3 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | cis | -138.4 | 150.5 | 0.4 | -136.2 | 160.5 | 70.4 | 0 | 0 | 107.8 | ||||
| 1097 | G | 35.1 | Very low | 35.4 | Very low | 62 Ų | 62 | 138 Ų | 138 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | 92.1 | 138.5 | 73.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1098 | D | 31.7 | Very low | 35.3 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | cis | -162.3 | 179.9 | 3.7 | -80 | -55.1 | 0 | 0 | 0 | 110.8 | ||||
| 1099 | R | 37.5 | Very low | 34.8 | Very low | 250 Ų | 250 | 139.1 Ų | 139.1 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | trans | 121.3 | 122.6 | 133.4 | -157.9 | 171.4 | -167.1 | 156.5 | 3.3 | 117.3 | ||||
| 1100 | G | 46.5 | Very low | 34.6 | Very low | 70 Ų | 70 | 137.5 Ų | 137.5 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 94.2 | 75.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1101 | A | 28.6 | Very low | 34.7 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | cis | 76.2 | 137.1 | 22.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1102 | Q | 37.8 | Very low | 34.4 | Very low | 195 Ų | 195 | 133.5 Ų | 133.5 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | 72 | 128.9 | 170.8 | -161.9 | 171.8 | 1.2 | 0 | 0 | 116.2 | ||||
| 1103 | G | 37.1 | Very low | 33.8 | Very low | 60 Ų | 60 | 128.7 Ų | 128.7 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | cis | -157.3 | 155.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1104 | F | 29.3 | Very low | 33.4 | Very low | 201 Ų | 201 | 131.9 Ų | 131.9 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | 92.9 | 152.6 | 60.3 | -80.6 | -52 | 0 | 0 | 0 | 113.6 | |||||
| 1105 | P | 45.3 | Very low | 33.7 | Very low | 126 Ų | 126 | 132 Ų | 132 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | -130.4 | -172.2 | -127.4 | 44.2 | -28.4 | 0 | 0 | 0 | 115.8 | |||||
| 1106 | G | 32.2 | Very low | 34.1 | Very low | 65 Ų | 65 | 130.9 Ų | 130.9 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | trans | 137.2 | 116.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1107 | E | 28.9 | Very low | 34.3 | Very low | 190 Ų | 190 | 134.9 Ų | 134.9 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | 92.5 | 172.4 | 61.5 | -79.7 | -143.5 | 119.4 | 0 | 0 | 113.5 | |||||
| 1108 | Q | 30.3 | Very low | 34.9 | Very low | 184 Ų | 184 | 135 Ų | 135 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -53.6 | 153.1 | -160.7 | -60.8 | 170.6 | -26.5 | 0 | 0 | 115.2 | ||||
| 1109 | G | 30 | Very low | 35.3 | Very low | 66 Ų | 66 | 132 Ų | 132 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | cis | 152.9 | -155.7 | 0.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1110 | V | 25.4 | Very low | 35.2 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | 62.7 | 138.3 | 169.6 | -129.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 1111 | Q | 32.7 | Very low | 34.9 | Very low | 176 Ų | 176 | 128.5 Ų | 128.5 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | 62.4 | 118.9 | 148.9 | -164.7 | 163.3 | -7.9 | 0 | 0 | 119.9 | ||||
| 1112 | G | 32.8 | Very low | 35.4 | Very low | 59 Ų | 59 | 132.1 Ų | 132.1 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | trans | -97.1 | -146.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1113 | S | 30.2 | Very low | 35.8 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | 71.2 | 151.3 | -176.1 | 81.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1114 | F | 32.6 | Very low | 35.5 | Very low | 192 Ų | 192 | 129.5 Ų | 129.5 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | cis | -120.5 | 161.4 | -7 | -82.1 | -99.7 | 0 | 0 | 0 | 108.9 | ||||
| 1115 | G | 37.9 | Very low | 35.3 | Very low | 67 Ų | 67 | 127.9 Ų | 127.9 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | cis | -169.1 | -173.6 | -2.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1116 | L | 38.1 | Very low | 35.3 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | cis | -159.3 | 161.5 | 18.2 | -80.9 | 169.5 | 0 | 0 | 0 | 105.5 | ||||
| 1117 | R | 40.4 | Very low | 35.4 | Very low | 238 Ų | 238 | 128.3 Ų | 128.3 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | cis | -173.2 | 147.1 | -3.9 | 162.1 | -174.6 | -170.1 | 179.7 | 4.8 | 107.4 | ||||
| 1118 | G | 47.3 | Very low | 35.5 | Very low | 65 Ų | 65 | 128 Ų | 128 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | trans | 107.3 | 99.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1119 | A | 40.9 | Very low | 36 | Very low | 81 Ų | 81 | 126.3 Ų | 126.3 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | 74.2 | 108.8 | 70.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1120 | D | 34.6 | Very low | 36.2 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | 73.6 | 126.1 | 87.4 | -55.2 | -39.6 | 0 | 0 | 0 | 111.8 | |||||
| 1121 | G | 40.5 | Very low | 36.6 | Very low | 76 Ų | 76 | 126.7 Ų | 126.7 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | cis | 177.9 | -179 | -2.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1122 | L | 38.2 | Very low | 37 | Very low | 172 Ų | 172 | 121.8 Ų | 121.8 | 90% | 0.901 | 75% | 0.754 | S | S | * | * | trans | -75.5 | 164 | 159.5 | -68.7 | 163 | 0 | 0 | 0 | 109.5 | ||||
| 1123 | P | 47.4 | Very low | 37.2 | Very low | 123 Ų | 123 | 122.5 Ų | 122.5 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | cis | -126.5 | 162 | -35.9 | 36.8 | -23.2 | 0 | 0 | 0 | 112.1 | ||||
| 1124 | G | 31.3 | Very low | 37 | Very low | 77 Ų | 77 | 123.5 Ų | 123.5 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -116.5 | 116 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1125 | L | 25.2 | Very low | 37.8 | Very low | 167 Ų | 167 | 118.7 Ų | 118.7 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | -68.9 | 154.4 | 169.4 | -76 | 162.5 | 0 | 0 | 0 | 111.4 | G1127 | L1125-G1127 PolarHBondContact O-N 3Š| ||
| 1126 | P | 44.2 | Very low | 37.7 | Very low | 127 Ų | 127 | 118.9 Ų | 118.9 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | -63.8 | 87.1 | 171.5 | -23.7 | 35.6 | 0 | 0 | 0 | 113.7 | ||||
| 1127 | G | 34.7 | Very low | 37.4 | Very low | 74 Ų | 74 | 117.5 Ų | 117.5 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | trans | -69 | 140.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1125 | L1125-G1127 PolarHBondContact O-N 3Š| ||
| 1128 | R | 30.4 | Very low | 37.3 | Very low | 182 Ų | 182 | 111.9 Ų | 111.9 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | trans | -84 | 156.6 | -179.4 | -74.4 | 176 | 168.9 | -178.7 | -0.1 | 113 | E703 | E703-R1128 VanDerWaalsContact O-CZ 3.29Å; E703-R1128 PolarHBondContact O-NH1 3.1Å; E703-R1128 PolarHBondContact O-NH2 3.27Å | ||
| 1129 | K | 41.6 | Very low | 36.7 | Very low | 150 Ų | 150 | 112.4 Ų | 112.4 | 65% | 0.652 | 75% | 0.747 | S | S | * | * | trans | 11.2 | 110.1 | 150 | -174.8 | -166.2 | 175 | -174.4 | 0 | 116.5 | ||||
| 1130 | G | 33.8 | Very low | 36.4 | Very low | 71 Ų | 71 | 113.7 Ų | 113.7 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | -129.1 | 143.1 | 128.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1131 | E | 33 | Very low | 36.7 | Very low | 141 Ų | 141 | 114.5 Ų | 114.5 | 66% | 0.659 | 75% | 0.749 | S | S | * | * | cis | -156.2 | 168 | -21.6 | -144.3 | 162.6 | -158.5 | 0 | 0 | 107.7 | ||||
| 1132 | A | 41.9 | Very low | 36.9 | Very low | 72 Ų | 72 | 113.9 Ų | 113.9 | 60% | 0.595 | 74% | 0.743 | S | S | * | * | trans | -93.8 | 109.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108 | T1134 | A1132-T1134 VanDerWaalsContact C-N 3.27Å; A1132-T1134 WeakPolarHBondContact O-CG2 3.45Å; A1132-T1134 PolarHBondContact O-N 2.7Å | ||
| 1133 | G | 36.2 | Very low | 36.7 | Very low | 74 Ų | 74 | 117.6 Ų | 117.6 | 76% | 0.763 | 75% | 0.745 | S | S | * | * | trans | -82.6 | 74.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1134 | T | 27.7 | Very low | 36.2 | Very low | 115 Ų | 115 | 117.9 Ų | 117.9 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | 70.8 | 115.5 | 98.6 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | A1132 | A1132-T1134 VanDerWaalsContact C-N 3.27Å; A1132-T1134 WeakPolarHBondContact O-CG2 3.45Å; A1132-T1134 PolarHBondContact O-N 2.7Å | |||
| 1135 | P | 49.3 | Very low | 36.7 | Very low | 91 Ų | 91 | 117.6 Ų | 117.6 | 59% | 0.591 | 74% | 0.744 | S | S | * | * | trans | -67 | 132.9 | 176.2 | -19.2 | 31.6 | 0 | 0 | 0 | 114 | M709 | M709-P1135 HydrophobicContact SD-CB 4.19Å; M709-P1135 HydrophobicContact SD-CG 4.11Å | ||
| 1136 | G | 35.4 | Very low | 37 | Very low | 71 Ų | 71 | 118 Ų | 118 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | -103.5 | 134.5 | 128.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 1137 | L | 32.1 | Very low | 36.6 | Very low | 132 Ų | 132 | 117.8 Ų | 117.8 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | cis | 56.7 | 139.7 | 28.7 | -57.2 | 175.5 | 0 | 0 | 0 | 114.2 | M709 | M709-L1137 HydrophobicContact CE-CD1 3.69Å; M709-L1137 HydrophobicContact SD-CD1 4.24Å | ||
| 1138 | P | 38 | Very low | 36.4 | Very low | 120 Ų | 120 | 117.8 Ų | 117.8 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | cis | -130.9 | 160.4 | -17.7 | 37.2 | -21.2 | 0 | 0 | 0 | 114.6 | ||||
| 1139 | G | 34.9 | Very low | 36.4 | Very low | 76 Ų | 76 | 117.4 Ų | 117.4 | 78% | 0.784 | 75% | 0.751 | S | S | * | * | trans | 83.9 | 172.4 | 163 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1140 | S | 33.8 | Very low | 35.9 | Very low | 108 Ų | 108 | 114.1 Ų | 114.1 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | cis | -163.5 | 169.4 | -8 | 44.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1141 | Q | 40.4 | Very low | 35.9 | Very low | 185 Ų | 185 | 113 Ų | 113 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | trans | 64.4 | 80.5 | 147.5 | -165.3 | 168.5 | -5.9 | 0 | 0 | 116.8 | ||||
| 1142 | G | 45.5 | Very low | 36.3 | Very low | 63 Ų | 63 | 110.6 Ų | 110.6 | 65% | 0.649 | 73% | 0.73 | S | S | * | * | trans | -84.3 | -161.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1143 | R | 33.9 | Very low | 36 | Very low | 250 Ų | 250 | 109.2 Ų | 109.2 | 94% | 0.943 | 72% | 0.718 | S | S | * | * | trans | 74.4 | 159.3 | -165.8 | -51.5 | 179.3 | 174.1 | -151.2 | -0.8 | 113.6 | ||||
| 1144 | P | 37.9 | Very low | 36.1 | Very low | 129 Ų | 129 | 109 Ų | 109 | 84% | 0.838 | 72% | 0.716 | S | S | * | * | cis | -109.6 | 174.8 | -21 | 14 | 9.4 | 0 | 0 | 0 | 111.7 | ||||
| 1145 | G | 41.2 | Very low | 36.6 | Very low | 72 Ų | 72 | 113.2 Ų | 113.2 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | trans | -96.5 | -175.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1146 | L | 31.2 | Very low | 35.8 | Very low | 176 Ų | 176 | 118.3 Ų | 118.3 | 92% | 0.921 | 74% | 0.741 | S | S | * | * | trans | -134.3 | 157 | 165.4 | -78.9 | 176 | 0 | 0 | 0 | 111.2 | ||||
| 1147 | P | 34.9 | Very low | 35.9 | Very low | 121 Ų | 121 | 118.2 Ų | 118.2 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | trans | -114.2 | 156.2 | -168.6 | 18.8 | 3.6 | 0 | 0 | 0 | 115.7 | ||||
| 1148 | G | 32.1 | Very low | 35.8 | Very low | 74 Ų | 74 | 121.3 Ų | 121.3 | 76% | 0.763 | 74% | 0.743 | S | S | * | * | trans | 77.2 | 170.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1149 | E | 29.6 | Very low | 35.9 | Very low | 175 Ų | 175 | 119.2 Ų | 119.2 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | cis | -171.6 | 159.4 | -18.3 | -133.9 | -165.4 | -118.3 | 0 | 0 | 111.4 | ||||
| 1150 | S | 31.8 | Very low | 35.8 | Very low | 80 Ų | 80 | 118.7 Ų | 118.7 | 56% | 0.559 | 72% | 0.724 | S | S | * | * | trans | 50.1 | 156.8 | 148 | -59.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 1151 | G | 32.2 | Very low | 36.1 | Very low | 47 Ų | 47 | 119.7 Ų | 119.7 | 49% | 0.485 | 73% | 0.725 | S | S | . | * | cis | -158.7 | 159.1 | -14 | 0 | 0 | 0 | 0 | 0 | 110.3 | L1348 | G1151-L1348 WeakPolarHBondContact O-CD2 2.99Š| ||
| 1152 | V | 42.9 | Very low | 36 | Very low | 92 Ų | 92 | 114.8 Ų | 114.8 | 56% | 0.558 | 71% | 0.71 | S | S | * | * | trans | -77.5 | 151.6 | -153.7 | -163.3 | 0 | 0 | 0 | 0 | 117.8 | P1346 | V1152-P1346 HydrophobicContact CG2-CB 4.02Š| ||
| 1153 | A | 36 | Very low | 36.1 | Very low | 43 Ų | 43 | 114.4 Ų | 114.4 | 36% | 0.355 | 71% | 0.706 | S | S | . | * | trans | -149.8 | 156.3 | 150.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1154 | G | 37.3 | Very low | 35.9 | Very low | 70 Ų | 70 | 110.2 Ų | 110.2 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | trans | -175.1 | -179.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1155 | Q | 38.8 | Very low | 35.7 | Very low | 202 Ų | 202 | 110.4 Ų | 110.4 | 94% | 0.944 | 70% | 0.704 | S | S | * | * | trans | 63.6 | 147.5 | -172.6 | -57.4 | -166.8 | 17.2 | 0 | 0 | 114.2 | ||||
| 1156 | K | 31.6 | Very low | 35.2 | Very low | 199 Ų | 199 | 108.2 Ų | 108.2 | 87% | 0.865 | 68% | 0.681 | S | S | * | * | cis | -140.9 | 148 | 31.3 | -177.5 | 177.4 | 178.9 | 178.9 | 0 | 111.4 | ||||
| 1157 | G | 38.3 | Very low | 35.2 | Very low | 68 Ų | 68 | 104.6 Ų | 104.6 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | trans | -83.4 | -174.7 | -163.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1158 | Y | 29.1 | Very low | 35 | Very low | 197 Ų | 197 | 105 Ų | 105 | 77% | 0.773 | 66% | 0.657 | S | S | * | * | trans | -128 | 166.2 | -178.8 | -81.1 | -46.7 | 0 | 0 | 0 | 112.3 | ||||
| 1159 | P | 39.6 | Very low | 35.7 | Very low | 77 Ų | 77 | 103.3 Ų | 103.3 | 50% | 0.5 | 64% | 0.639 | S | S | . | * | trans | -110.5 | -167.4 | -135.1 | 42.8 | -38.6 | 0 | 0 | 0 | 115.3 | G210 | G210-P1159 VanDerWaalsContact O-CG 3.3Å; G210-P1159 WeakPolarHBondContact O-CG 3.17Å | ||
| 1160 | G | 33.8 | Very low | 35.9 | Very low | 65 Ų | 65 | 102.4 Ų | 102.4 | 67% | 0.67 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 153 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1161 | V | 39.8 | Very low | 36.5 | Very low | 128 Ų | 128 | 107.5 Ų | 107.5 | 78% | 0.776 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 142.3 | -170 | -163 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1162 | P | 39.6 | Very low | 37.5 | Very low | 82 Ų | 82 | 108.6 Ų | 108.6 | 53% | 0.532 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -72.6 | 125.9 | 164.8 | -7.5 | 25.2 | 0 | 0 | 0 | 109.4 | P212 | P212-P1162 HydrophobicContact CB-CG 3.23Å; P212-P1162 HydrophobicContact CG-CG 3.57Å |
| 1163 | G | 46.9 | Very low | 37.5 | Very low | 56 Ų | 56 | 110.3 Ų | 110.3 | 58% | 0.577 | 68% | 0.678 | S | S | * | * | trans | -89.7 | -173.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1164 | N | 29.3 | Very low | 38 | Very low | 162 Ų | 162 | 114.3 Ų | 114.3 | 87% | 0.866 | 70% | 0.7 | S | S | * | * | trans | 75 | 163.4 | 167.3 | -43.5 | -26.2 | 0 | 0 | 0 | 115.5 | ||||
| 1165 | P | 33.8 | Very low | 38.3 | Very low | 133 Ų | 133 | 114.9 Ų | 114.9 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | cis | -121 | 175.1 | -47.8 | 32.9 | -18 | 0 | 0 | 0 | 109.7 | ||||
| 1166 | G | 29.9 | Very low | 38.7 | Very low | 25 Ų | 25 | 117.1 Ų | 117.1 | 26% | 0.258 | 71% | 0.706 | S | S | . | * | cis | 148.7 | -160.3 | 16.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | R1315 K1316 | G1166-R1315 CarbonylContact O-C 3.25Å; G1166-K1316 PolarHBondContact O-N 3.32Å | ||
| 1167 | I | 31.2 | Very low | 38.7 | Very low | 101 Ų | 101 | 113.7 Ų | 113.7 | 52% | 0.518 | 69% | 0.693 | S | S | . | * | trans | 67.9 | 67.9 | 175.3 | 12.9 | -169.1 | 0 | 0 | 0 | 117 | R1315 K1316 | I1167-R1315 CarbonylContact O-C 3.18Å; I1167-R1315 WeakPolarHBondContact O-CA 3.26Å; I1167-R1315 PolarHBondContact O-N 3.39Å; I1167-K1316 PolarHBondContact O-N 3.24Å | ||
| 1168 | D | 31.7 | Very low | 39 | Very low | 128 Ų | 128 | 112.7 Ų | 112.7 | 68% | 0.684 | 68% | 0.683 | S | S | * | * | 47.4 | 167.9 | 104.4 | -58.5 | -68.5 | 0 | 0 | 0 | 123.3 | K222 | K222-D1168 PolarHBondContact NZ-O 3.13Š| |||
| 1169 | G | 45.6 | Very low | 39.1 | Very low | 39 Ų | 39 | 109 Ų | 109 | 40% | 0.402 | 69% | 0.686 | S | S | . | * | trans | 65.4 | 169.1 | 138.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | K222 | K222-G1169 PolarHBondContact NZ-O 3.45Š| ||
| 1170 | I | 34.6 | Very low | 39.3 | Very low | 157 Ų | 157 | 115.5 Ų | 115.5 | 81% | 0.805 | 71% | 0.706 | S | S | * | * | cis | -132.8 | 112.7 | -22.6 | -61.6 | -175.8 | 0 | 0 | 0 | 106.6 | ||||
| 1171 | Q | 45.3 | Very low | 39.3 | Very low | 187 Ų | 187 | 115.6 Ų | 115.6 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | 37.1 | 125.9 | 129.6 | -155.6 | 172.5 | 7.2 | 0 | 0 | 119.9 | |||||
| 1172 | G | 52.4 | Low | 38.8 | Very low | 70 Ų | 70 | 118.2 Ų | 118.2 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | trans | -110.6 | 161.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1173 | P | 42.4 | Very low | 38.8 | Very low | 128 Ų | 128 | 123.5 Ų | 123.5 | 83% | 0.831 | 73% | 0.728 | S | S | * | * | trans | -118.8 | -174.3 | 179.9 | 48.1 | -35.7 | 0 | 0 | 0 | 111.9 | ||||
| 1174 | P | 47.8 | Very low | 38.1 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | -139.9 | 137.4 | -120.4 | 33.7 | -8.8 | 0 | 0 | 0 | 120 | |||||
| 1175 | G | 43.3 | Very low | 38.4 | Very low | 83 Ų | 83 | 124.7 Ų | 124.7 | 86% | 0.856 | 74% | 0.736 | S | S | * | * | trans | 78.4 | 155.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1176 | R | 47.3 | Very low | 38.5 | Very low | 248 Ų | 248 | 123 Ų | 123 | 94% | 0.936 | 73% | 0.733 | S | S | * | * | cis | -153.2 | -163.1 | 12.1 | -133.3 | 178.7 | -172.9 | -179.4 | 4.4 | 108.9 | ||||
| 1177 | H | 31.1 | Very low | 39 | Very low | 127 Ų | 127 | 125.6 Ų | 125.6 | 59% | 0.588 | 76% | 0.76 | S | S | * | * | trans | 72.7 | 175.5 | -179.4 | -103 | 94.8 | 0 | 0 | 0 | 115.9 | R308 | R308-H1177 PolarHBondContact O-CD2 3.31Å; R308-H1177 PolarHBondContact O-NE2 3.06Å | ||
| 1178 | G | 44.1 | Very low | 39.5 | Very low | 47 Ų | 47 | 127.4 Ų | 127.4 | 49% | 0.485 | 78% | 0.776 | S | S | . | * | trans | -162.8 | -177.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1179 | S | 32.5 | Very low | 40 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | 62.3 | 86.2 | 177.7 | 52 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1180 | K | 44.1 | Very low | 39.7 | Very low | 214 Ų | 214 | 129.4 Ų | 129.4 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | 64.5 | 133.2 | 136.5 | -160.2 | 179.8 | 179.3 | -170.3 | 0 | 120.7 | ||||
| 1181 | G | 33.3 | Very low | 40 | Very low | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | trans | 109.4 | 129.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1182 | E | 29.5 | Very low | 39.5 | Very low | 183 Ų | 183 | 122.2 Ų | 122.2 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | cis | -150.1 | -140 | -18.8 | -158.7 | 143.2 | -122.5 | 0 | 0 | 109.4 | ||||
| 1183 | Q | 38.3 | Very low | 38.8 | Very low | 193 Ų | 193 | 120.4 Ų | 120.4 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | -74.3 | 157.8 | 179.1 | -62.4 | 168.5 | -90.6 | 0 | 0 | 113.1 | ||||
| 1184 | G | 33.5 | Very low | 38.9 | Very low | 70 Ų | 70 | 118.7 Ų | 118.7 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | 134.5 | 88.6 | 144.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1185 | I | 34.9 | Very low | 38.3 | Very low | 173 Ų | 173 | 118.4 Ų | 118.4 | 89% | 0.887 | 74% | 0.744 | S | S | * | * | trans | 22.4 | 138.7 | 139.1 | -19.1 | -178.6 | 0 | 0 | 0 | 122.1 | ||||
| 1186 | A | 37 | Very low | 38 | Very low | 97 Ų | 97 | 117.8 Ų | 117.8 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | trans | 114.6 | 137 | 132.9 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1187 | G | 38.7 | Very low | 37.4 | Very low | 80 Ų | 80 | 113.6 Ų | 113.6 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | trans | 93.6 | 94.8 | 137.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1188 | T | 42.9 | Very low | 37.5 | Very low | 140 Ų | 140 | 113.5 Ų | 113.5 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | trans | -97.9 | 147.7 | 157.2 | 53.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1189 | P | 40.5 | Very low | 37.2 | Very low | 135 Ų | 135 | 115 Ų | 115 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | -155.7 | 166.9 | 111.5 | 38.1 | -20.5 | 0 | 0 | 0 | 117.1 | |||||
| 1190 | G | 39.7 | Very low | 37.2 | Very low | 73 Ų | 73 | 117.5 Ų | 117.5 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | trans | 131.9 | 126.7 | 154 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1191 | L | 42.2 | Very low | 36.8 | Very low | 106 Ų | 106 | 116.9 Ų | 116.9 | 56% | 0.555 | 75% | 0.754 | S | S | * | * | trans | -154.1 | 156.3 | 169.9 | -76.4 | 169.7 | 0 | 0 | 0 | 110.4 | A1307 G1308 P1310 | L1191-A1307 HydrophobicContact CD2-CB 4.17Å; L1191-G1308 WeakPolarHBondContact CB-O 3.26Å; L1191-P1310 HydrophobicContact CD1-CG 4.27Å | ||
| 1192 | S | 34.3 | Very low | 37.3 | Very low | 87 Ų | 87 | 116.7 Ų | 116.7 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | trans | -163.4 | 127.8 | 171 | 59 | 0 | 0 | 0 | 0 | 117.2 | A1307 | S1192-A1307 WeakPolarHBondContact O-CB 3.48Å; S1192-A1307 PolarHBondContact O-N 3.04Å | ||
| 1193 | G | 38.1 | Very low | 37.5 | Very low | 33 Ų | 33 | 112.8 Ų | 112.8 | 34% | 0.34 | 74% | 0.742 | S | S | . | * | trans | 65.8 | 133.9 | 140.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | E1306 A1307 | G1193-E1306 CarbonylContact O-C 3.49Å; G1193-E1306 VanDerWaalsContact O-CA 3.29Å; G1193-E1306 WeakPolarHBondContact O-CA 2.99Å; G1193-E1306 WeakPolarHBondContact O-CB 3.49Å; G1193-E1306 WeakPolarHBondContact O-CG 3.35Å; G1193-A1307 CarbonylContact C-O 3.14Å; G1193-A1307 VanDerWaalsContact C-O 3.25Å; G1193-A1307 WeakPolarHBondContact CA-O 3.45Å; G1193-A1307 PolarHBondContact N-O 3.19Å; G1193-A1307 PolarHBondContact O-N 2.61Å | ||
| 1194 | P | 43.1 | Very low | 37.3 | Very low | 92 Ų | 92 | 111.2 Ų | 111.2 | 60% | 0.597 | 74% | 0.74 | S | S | * | * | trans | -129.7 | 142.2 | 169.3 | 38.7 | -23.9 | 0 | 0 | 0 | 118.6 | E1306 A1307 | P1194-E1306 VanDerWaalsContact CA-OE2 3.24Å; P1194-E1306 WeakPolarHBondContact CA-OE2 3.3Å; P1194-E1306 HydrophobicContact CB-CB 4.47Å; P1194-A1307 WeakPolarHBondContact CD-O 3.34Å | ||
| 1195 | T | 35 | Very low | 37.6 | Very low | 119 Ų | 119 | 111.1 Ų | 111.1 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | trans | 134.5 | 139.5 | 139.5 | -56 | 0 | 0 | 0 | 0 | 115.7 | E1306 | T1195-E1306 PolarHBondContact N-OE2 3.43Š| ||
| 1196 | G | 37.9 | Very low | 38.1 | Very low | 71 Ų | 71 | 111.4 Ų | 111.4 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | trans | -161.6 | 146.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1197 | L | 34 | Very low | 38.3 | Very low | 160 Ų | 160 | 112.9 Ų | 112.9 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | -146 | 154 | -168.4 | -100.8 | 176.1 | 0 | 0 | 0 | 115.1 | ||||
| 1198 | V | 34.4 | Very low | 38.3 | Very low | 124 Ų | 124 | 112 Ų | 112 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | trans | 68.2 | 126.7 | 160.2 | 175.7 | 0 | 0 | 0 | 0 | 119.4 | M1200 | V1198-M1200 HydrophobicContact CG1-CG 4.39Š| ||
| 1199 | G | 38 | Very low | 37.9 | Very low | 78 Ų | 78 | 113.8 Ų | 113.8 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | -161.9 | 127.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1200 | M | 32.2 | Very low | 37.6 | Very low | 174 Ų | 174 | 115.5 Ų | 115.5 | 86% | 0.857 | 72% | 0.721 | S | S | * | * | trans | -115.1 | 165.1 | -165.3 | -64.4 | 168.8 | 61 | 0 | 0 | 114 | V1198 | V1198-M1200 HydrophobicContact CG1-CG 4.39Š| ||
| 1201 | K | 35.8 | Very low | 37.7 | Very low | 200 Ų | 200 | 114.8 Ų | 114.8 | 87% | 0.87 | 71% | 0.713 | S | S | * | * | trans | 123.1 | 142.2 | 130.6 | -163.4 | 174.5 | -179.2 | -178.2 | 0 | 116 | ||||
| 1202 | G | 44.1 | Very low | 37.3 | Very low | 63 Ų | 63 | 115.8 Ų | 115.8 | 65% | 0.649 | 72% | 0.718 | S | S | * | * | trans | 111.7 | 96.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1203 | T | 32.9 | Very low | 37.5 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | cis | 60.6 | 124.1 | 9.3 | 67.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1204 | D | 34.9 | Very low | 37.4 | Very low | 160 Ų | 160 | 121 Ų | 121 | 86% | 0.856 | 74% | 0.743 | S | S | * | * | cis | -157.8 | 170.3 | -4 | -84.9 | -39.7 | 0 | 0 | 0 | 106.9 | ||||
| 1205 | G | 40 | Very low | 37 | Very low | 67 Ų | 67 | 125 Ų | 125 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | cis | 175.7 | -176.6 | -0.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1206 | L | 45.4 | Very low | 37.3 | Very low | 179 Ų | 179 | 126.4 Ų | 126.4 | 94% | 0.937 | 75% | 0.754 | S | S | * | * | trans | -91.8 | 141.1 | 174.2 | -67.2 | 159.5 | 0 | 0 | 0 | 110.8 | ||||
| 1207 | P | 40.2 | Very low | 37 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | -146.1 | 164.6 | 120.8 | 36.4 | -21.5 | 0 | 0 | 0 | 113.5 | |||||
| 1208 | G | 39.1 | Very low | 36.8 | Very low | 62 Ų | 62 | 128.8 Ų | 128.8 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | cis | -140.8 | 161.5 | -3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1209 | Q | 33.5 | Very low | 37.2 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | 59.8 | 139.2 | 77.8 | -58.9 | -167.7 | 21.9 | 0 | 0 | 113.1 | |||||
| 1210 | R | 35.9 | Very low | 37.2 | Very low | 172 Ų | 172 | 128 Ų | 128 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | cis | -157.1 | 153.5 | 29.5 | -148.3 | 175.6 | -163.5 | -151.7 | -1.4 | 108.3 | E172 L1212 | E172-R1210 IonicContact OE1-CZ 2.8Å; E172-R1210 IonicContact OE1-NH1 2.83Å; E172-R1210 IonicContact OE1-NH2 3.26Å; E172-R1210 PolarHBondContact OE1-NH2 2.91Å; R1210-L1212 HydrophobicContact CG-CD1 4.28Å | ||
| 1211 | G | 41.9 | Very low | 37.3 | Very low | 57 Ų | 57 | 131.1 Ų | 131.1 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | cis | -166.7 | 165.7 | -2.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1212 | L | 32.6 | Very low | 37 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 67% | 0.665 | 75% | 0.749 | S | S | * | * | 71.8 | 136.8 | 87.2 | -60.2 | 166.2 | 0 | 0 | 0 | 113.1 | R1210 | R1210-L1212 HydrophobicContact CG-CD1 4.28Š| |||
| 1213 | Q | 39.5 | Very low | 37 | Very low | 157 Ų | 157 | 127.6 Ų | 127.6 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | cis | -168.1 | 153.1 | 25 | -151.8 | 166.1 | -53.3 | 0 | 0 | 114 | ||||
| 1214 | G | 34.4 | Very low | 36.6 | Very low | 72 Ų | 72 | 130 Ų | 130 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | 73.3 | 144.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1215 | E | 35.7 | Very low | 36.4 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | cis | -145 | 161 | -1.2 | -81.6 | -163.1 | 157.6 | 0 | 0 | 108.2 | ||||
| 1216 | M | 41 | Very low | 36 | Very low | 149 Ų | 149 | 127.9 Ų | 127.9 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | cis | -155 | 105.7 | -20.7 | 175.7 | -171.4 | -47.5 | 0 | 0 | 106 | ||||
| 1217 | G | 31.6 | Very low | 35.1 | Very low | 72 Ų | 72 | 127.2 Ų | 127.2 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 129.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P1219 | G1217-P1219 WeakPolarHBondContact O-CD 3.42Š|
| 1218 | F | 31 | Very low | 35.1 | Very low | 208 Ų | 208 | 128.9 Ų | 128.9 | 91% | 0.912 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -64 | 124.7 | 169.2 | -101.6 | -78.8 | 0 | 0 | 0 | 110 | G1220 | F1218-G1220 PolarHBondContact O-N 3.28Š|
| 1219 | P | 42.9 | Very low | 34.8 | Very low | 111 Ų | 111 | 129 Ų | 129 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 127.3 | 179.9 | -22.9 | 34 | 0 | 0 | 0 | 111.6 | G1217 R1221 | G1217-P1219 WeakPolarHBondContact O-CD 3.42Å; P1219-R1221 PolarHBondContact O-N 2.96Å; P1219-R1221 VanDerWaalsContact O-N 3.09Å |
| 1220 | G | 36.3 | Very low | 34.7 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | trans | -63.3 | 110.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | F1218 | F1218-G1220 PolarHBondContact O-N 3.28Š| ||
| 1221 | R | 35 | Very low | 34.6 | Very low | 241 Ų | 241 | 132.1 Ų | 132.1 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | trans | -69.8 | 127.2 | 171.2 | -82.4 | -169.2 | 168.9 | -137.6 | -2.8 | 109.4 | P1219 | P1219-R1221 PolarHBondContact O-N 2.96Å; P1219-R1221 VanDerWaalsContact O-N 3.09Å | ||
| 1222 | P | 30.4 | Very low | 34.1 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | trans | -60.8 | 151.8 | -179.5 | -25.8 | 35.2 | 0 | 0 | 0 | 113.6 | I1224 | P1222-I1224 PolarHBondContact O-N 2.91Š| ||
| 1223 | G | 43.1 | Very low | 34 | Very low | 82 Ų | 82 | 135.3 Ų | 135.3 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -70.3 | 106.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1224 | I | 25.5 | Very low | 33.7 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -128.7 | 128.6 | 170.9 | -68.8 | -178.2 | 0 | 0 | 0 | 105.8 | P1222 | P1222-I1224 PolarHBondContact O-N 2.91Š| ||
| 1225 | P | 30 | Very low | 33.8 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | -117.5 | -138.5 | -102.1 | 39.9 | -33.5 | 0 | 0 | 0 | 112.9 | |||||
| 1226 | G | 31.2 | Very low | 33.4 | Very low | 62 Ų | 62 | 132 Ų | 132 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | trans | -54.9 | 161.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1227 | L | 27.7 | Very low | 33.2 | Very low | 166 Ų | 166 | 129 Ų | 129 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | -153.4 | 168.7 | 71.1 | -92.9 | 162 | 0 | 0 | 0 | 114.3 | |||||
| 1228 | I | 39.1 | Very low | 33.7 | Very low | 163 Ų | 163 | 127.2 Ų | 127.2 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | 73.7 | 126.6 | 167.4 | -63.4 | 148.1 | 0 | 0 | 0 | 115.1 | ||||
| 1229 | G | 32.3 | Very low | 33.6 | Very low | 65 Ų | 65 | 126.8 Ų | 126.8 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | trans | -106.4 | -151 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1230 | E | 32.7 | Very low | 33.2 | Very low | 205 Ų | 205 | 127.8 Ų | 127.8 | 96% | 0.958 | 77% | 0.767 | S | S | * | * | cis | -130.7 | 171.1 | 8.8 | -75.4 | -159.7 | 127.5 | 0 | 0 | 114.4 | ||||
| 1231 | K | 32 | Very low | 33.3 | Very low | 209 Ų | 209 | 127.5 Ų | 127.5 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | trans | -121.6 | 115.4 | -157.7 | 173.8 | -174.7 | 175.9 | -179.4 | 0 | 111.1 | ||||
| 1232 | G | 33.3 | Very low | 33.1 | Very low | 72 Ų | 72 | 125.8 Ų | 125.8 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | 88.6 | 168.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1233 | I | 29.2 | Very low | 33.7 | Very low | 179 Ų | 179 | 125.4 Ų | 125.4 | 92% | 0.918 | 76% | 0.761 | S | S | * | * | cis | -110.1 | 144.4 | 12.1 | -53.1 | 177.4 | 0 | 0 | 0 | 110.7 | ||||
| 1234 | A | 33.9 | Very low | 33.2 | Very low | 97 Ų | 97 | 125 Ų | 125 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | trans | -78 | 145.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1235 | G | 37.2 | Very low | 33.5 | Very low | 64 Ų | 64 | 124.2 Ų | 124.2 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | trans | 85.2 | 92.1 | 134.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1236 | L | 26.5 | Very low | 33.9 | Very low | 175 Ų | 175 | 124.5 Ų | 124.5 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | trans | -125.5 | 68.7 | 140 | -88.2 | 178.8 | 0 | 0 | 0 | 110.5 | ||||
| 1237 | Q | 37.1 | Very low | 34 | Very low | 85 Ų | 85 | 124.5 Ų | 124.5 | 40% | 0.397 | 76% | 0.756 | S | S | . | * | trans | -68.3 | 163 | 162.8 | -153 | 148.1 | -62.8 | 0 | 0 | 109.7 | P875 G876 L877 | P875-Q1237 VanDerWaalsContact C-CG 3.42Å; P875-Q1237 HydrophobicContact CB-CG 3.96Å; P875-Q1237 HydrophobicContact CG-CG 3.83Å; P875-Q1237 WeakPolarHBondContact O-CG 3.38Å; G876-Q1237 PolarHBondContact O-NE2 2.89Å; L877-Q1237 HydrophobicContact CD2-CB 3.83Å; L877-Q1237 HydrophobicContact CG-CB 4.15Å; L877-Q1237 WeakPolarHBondContact CG-O 3.09Å | ||
| 1238 | G | 40.8 | Very low | 34.2 | Very low | 36 Ų | 36 | 127.4 Ų | 127.4 | 37% | 0.371 | 76% | 0.757 | S | S | . | * | B | Isolated β-bridge | trans | -68.9 | 135.2 | -160.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | P875 L877 V1240 | P875-G1238 PolarHBondContact O-N 2.91Å; L877-G1238 WeakPolarHBondContact CB-O 3.31Å; L877-G1238 VanDerWaalsContact CD1-O 3.26Å; L877-G1238 WeakPolarHBondContact CD1-O 3.35Å; L877-G1238 WeakPolarHBondContact CG-O 3.17Å; G1238-V1240 PolarHBondContact O-N 2.89Å |
| 1239 | K | 28.6 | Very low | 34.2 | Very low | 199 Ų | 199 | 125.6 Ų | 125.6 | 87% | 0.865 | 76% | 0.756 | S | S | * | * | trans | -66.2 | 93.1 | 171.5 | -78 | -174.2 | 178.4 | 178.5 | 0 | 112.5 | ||||
| 1240 | V | 34.9 | Very low | 34.3 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | -137.3 | 133.5 | 155.6 | -176.9 | 0 | 0 | 0 | 0 | 106.1 | G1238 | G1238-V1240 PolarHBondContact O-N 2.89Š| ||
| 1241 | G | 38.4 | Very low | 34.4 | Very low | 68 Ų | 68 | 121.8 Ų | 121.8 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | cis | -157.7 | 159.9 | -12.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1242 | K | 30.8 | Very low | 34.5 | Very low | 206 Ų | 206 | 118.6 Ų | 118.6 | 90% | 0.896 | 75% | 0.746 | S | S | * | * | trans | -124.7 | 150.7 | 174.1 | -89.4 | -162.5 | 177.5 | -168.6 | 0 | 109.9 | ||||
| 1243 | P | 42.5 | Very low | 34.8 | Very low | 99 Ų | 99 | 118.3 Ų | 118.3 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | cis | -136.9 | 171.1 | -25.7 | 39.3 | -23.9 | 0 | 0 | 0 | 113.5 | ||||
| 1244 | G | 33.5 | Very low | 35 | Very low | 72 Ų | 72 | 118 Ų | 118 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | -116 | 101.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | P1246 | G1244-P1246 WeakPolarHBondContact O-CD 3.44Š| ||
| 1245 | N | 32.5 | Very low | 35.2 | Very low | 135 Ų | 135 | 118.2 Ų | 118.2 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | -104.1 | 103.4 | 175.1 | -81.9 | 28 | 0 | 0 | 0 | 111 | ||||
| 1246 | P | 38.4 | Very low | 35.3 | Very low | 126 Ų | 126 | 118.5 Ų | 118.5 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -121.6 | 128.3 | 145.6 | 33.8 | -23 | 0 | 0 | 0 | 109.7 | G1244 | G1244-P1246 WeakPolarHBondContact O-CD 3.44Š| ||
| 1247 | G | 33.6 | Very low | 35.7 | Very low | 63 Ų | 63 | 118.1 Ų | 118.1 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | cis | -158 | -169.2 | -7.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | P1249 | G1247-P1249 WeakPolarHBondContact O-CD 3.2Š| ||
| 1248 | Y | 31 | Very low | 35.6 | Very low | 226 Ų | 226 | 120.1 Ų | 120.1 | 89% | 0.886 | 77% | 0.765 | S | S | * | * | trans | -107.8 | 104.9 | 175.5 | -78.2 | -86.4 | 0 | 0 | 0 | 111.7 | ||||
| 1249 | P | 39.9 | Very low | 35.7 | Very low | 125 Ų | 125 | 122 Ų | 122 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -82 | 119.5 | 156.6 | -10.8 | 28.5 | 0 | 0 | 0 | 110.2 | G1247 | G1247-P1249 WeakPolarHBondContact O-CD 3.2Š| ||
| 1250 | G | 33.7 | Very low | 36 | Very low | 60 Ų | 60 | 118 Ų | 118 | 62% | 0.619 | 79% | 0.789 | S | S | * | * | trans | 50.1 | 99.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | V1252 | G1250-V1252 PolarHBondContact O-N 2.96Å; G1250-V1252 VanDerWaalsContact O-N 3.14Å | ||
| 1251 | P | 34.8 | Very low | 36.1 | Very low | 130 Ų | 130 | 116.9 Ų | 116.9 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | trans | -65.9 | 106.2 | 149.5 | 29.9 | -31.5 | 0 | 0 | 0 | 109.2 | ||||
| 1252 | V | 33.2 | Very low | 36.2 | Very low | 143 Ų | 143 | 116.8 Ų | 116.8 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 125.2 | 159.7 | 179.1 | 0 | 0 | 0 | 0 | 106.5 | G1250 | G1250-V1252 PolarHBondContact O-N 2.96Å; G1250-V1252 VanDerWaalsContact O-N 3.14Å |
| 1253 | G | 39.7 | Very low | 36.6 | Very low | 66 Ų | 66 | 114.3 Ų | 114.3 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 144.7 | -159.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1254 | D | 34 | Very low | 36.3 | Very low | 172 Ų | 172 | 117.5 Ų | 117.5 | 92% | 0.92 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 147.2 | 164.9 | -77.7 | -56.3 | 0 | 0 | 0 | 111.1 | ||
| 1255 | A | 37.6 | Very low | 36.7 | Very low | 101 Ų | 101 | 117.1 Ų | 117.1 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 148.9 | -168 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1256 | G | 39.8 | Very low | 36.9 | Very low | 70 Ų | 70 | 121.4 Ų | 121.4 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 157.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1257 | I | 34.4 | Very low | 37.1 | Very low | 168 Ų | 168 | 118.7 Ų | 118.7 | 86% | 0.862 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 131.7 | -175.8 | -57.6 | 166.6 | 0 | 0 | 0 | 110.6 | ||
| 1258 | P | 36.5 | Very low | 37.8 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 134.9 | 177.4 | -21.9 | 33.7 | 0 | 0 | 0 | 114.2 | ||
| 1259 | G | 41 | Very low | 38.1 | Very low | 76 Ų | 76 | 120.9 Ų | 120.9 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -117.5 | 160 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1260 | A | 36.6 | Very low | 38.2 | Very low | 114 Ų | 114 | 118.5 Ų | 118.5 | 94% | 0.942 | 80% | 0.804 | S | S | * | * | trans | -83.1 | 172.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1261 | A | 35.8 | Very low | 38.3 | Very low | 108 Ų | 108 | 120.6 Ų | 120.6 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -130.5 | 162.9 | -163.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1262 | G | 41.6 | Very low | 38.6 | Very low | 66 Ų | 66 | 121.5 Ų | 121.5 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | trans | 155.1 | 158.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1263 | L | 38.4 | Very low | 39 | Very low | 154 Ų | 154 | 117.7 Ų | 117.7 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | cis | -170.5 | 138.3 | -18.6 | -147.8 | 77.8 | 0 | 0 | 0 | 110.5 | ||||
| 1264 | L | 36.6 | Very low | 38.8 | Very low | 165 Ų | 165 | 121.9 Ų | 121.9 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | 62.2 | 154.6 | 166.1 | -59.9 | 161.8 | 0 | 0 | 0 | 118.8 | ||||
| 1265 | G | 41 | Very low | 39.2 | Very low | 64 Ų | 64 | 120.1 Ų | 120.1 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | cis | 132 | 116.3 | -23.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1266 | K | 37.7 | Very low | 39.2 | Very low | 225 Ų | 225 | 118.1 Ų | 118.1 | 98% | 0.978 | 79% | 0.786 | S | S | * | * | trans | 173.4 | 163.1 | 149.6 | -104.3 | 170.3 | -177 | -179.2 | 0 | 115.6 | ||||
| 1267 | G | 42.7 | Very low | 39.3 | Very low | 70 Ų | 70 | 121.2 Ų | 121.2 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -178.4 | 171.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1268 | P | 48.6 | Very low | 39.3 | Very low | 127 Ų | 127 | 117.7 Ų | 117.7 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -107.2 | 164.3 | 166.2 | 39 | -31 | 0 | 0 | 0 | 112 | ||||
| 1269 | R | 36.5 | Very low | 39.3 | Very low | 208 Ų | 208 | 115 Ų | 115 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | cis | 86.2 | 124.5 | 4.4 | -163.6 | 172.6 | -176.9 | 156 | 5.9 | 120 | D1271 | R1269-D1271 IonicContact CZ-OD1 3.66Å; R1269-D1271 IonicContact CZ-OD2 3.52Å; R1269-D1271 IonicContact NE-OD1 2.69Å; R1269-D1271 IonicContact NE-OD2 3.52Å; R1269-D1271 PolarHBondContact NE-OD2 2.91Å; R1269-D1271 IonicContact NH2-OD1 3.79Å; R1269-D1271 PolarHBondContact NH2-OD1 3.05Å; R1269-D1271 IonicContact NH2-OD2 2.7Å; R1269-D1271 PolarHBondContact NH2-OD2 2.91Å | ||
| 1270 | G | 41.4 | Very low | 38.8 | Very low | 75 Ų | 75 | 115.9 Ų | 115.9 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -162.3 | 126.3 | 160 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1271 | D | 35.7 | Very low | 38.5 | Very low | 104 Ų | 104 | 115.8 Ų | 115.8 | 56% | 0.556 | 78% | 0.777 | S | S | * | * | trans | -88 | -175.3 | -166.5 | -67.9 | -110.9 | 0 | 0 | 0 | 113.1 | R1269 | R1269-D1271 IonicContact CZ-OD1 3.66Å; R1269-D1271 IonicContact CZ-OD2 3.52Å; R1269-D1271 IonicContact NE-OD1 2.69Å; R1269-D1271 IonicContact NE-OD2 3.52Å; R1269-D1271 PolarHBondContact NE-OD2 2.91Å; R1269-D1271 IonicContact NH2-OD1 3.79Å; R1269-D1271 PolarHBondContact NH2-OD1 3.05Å; R1269-D1271 IonicContact NH2-OD2 2.7Å; R1269-D1271 PolarHBondContact NH2-OD2 2.91Å | ||
| 1272 | V | 42.1 | Very low | 38.6 | Very low | 148 Ų | 148 | 119.9 Ų | 119.9 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | cis | -160.8 | 157.2 | 41.4 | 172.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1273 | G | 40.6 | Very low | 38.7 | Very low | 64 Ų | 64 | 122.8 Ų | 122.8 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | cis | -167 | -174.5 | 5.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1274 | I | 36.8 | Very low | 38.3 | Very low | 154 Ų | 154 | 119.1 Ų | 119.1 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -136.1 | 158.2 | -159.4 | -11.7 | 176.2 | 0 | 0 | 0 | 111.2 | ||||
| 1275 | P | 42.8 | Very low | 38.9 | Very low | 135 Ų | 135 | 119.6 Ų | 119.6 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | -142.3 | 160.2 | 79.1 | 36.8 | -20 | 0 | 0 | 0 | 114.5 | |||||
| 1276 | G | 36.8 | Very low | 39 | Very low | 59 Ų | 59 | 122.7 Ų | 122.7 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | cis | -156 | 179.2 | 0.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1277 | P | 41.6 | Very low | 39 | Very low | 134 Ų | 134 | 115.6 Ų | 115.6 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | -82 | 167.5 | -161.4 | 33.2 | -37.9 | 0 | 0 | 0 | 115.3 | ||||
| 1278 | A | 35.5 | Very low | 38.6 | Very low | 95 Ų | 95 | 118.1 Ų | 118.1 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | cis | -166.1 | 165.7 | -15.2 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 1279 | G | 35.3 | Very low | 37.8 | Very low | 69 Ų | 69 | 122.1 Ų | 122.1 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | cis | 84.7 | 93.8 | 38 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1280 | A | 30 | Very low | 37.8 | Very low | 96 Ų | 96 | 115.1 Ų | 115.1 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | cis | 82.2 | 119.2 | 45.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1281 | S | 30 | Very low | 37.5 | Very low | 112 Ų | 112 | 118.9 Ų | 118.9 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | 63.1 | 101.7 | 159.6 | -53.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1282 | E | 39.1 | Very low | 37.1 | Very low | 193 Ų | 193 | 123.9 Ų | 123.9 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | 62 | 170.9 | 149.2 | -62.6 | -164.2 | 139.1 | 0 | 0 | 119 | ||||
| 1283 | P | 42.9 | Very low | 37.2 | Very low | 128 Ų | 128 | 119.9 Ų | 119.9 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | cis | -116.9 | 172.9 | -15.5 | 36.7 | -23.1 | 0 | 0 | 0 | 113.3 | ||||
| 1284 | G | 31.5 | Very low | 36.6 | Very low | 77 Ų | 77 | 124.7 Ų | 124.7 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 174.7 | 121.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1285 | L | 49.1 | Very low | 36.3 | Very low | 175 Ų | 175 | 124 Ų | 124 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -139.1 | 153.1 | 157.9 | -78.9 | 162.7 | 0 | 0 | 0 | 106.4 | ||||
| 1286 | P | 41.2 | Very low | 36.1 | Very low | 128 Ų | 128 | 120.6 Ų | 120.6 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | cis | -127.5 | -176.6 | 9.6 | 42.4 | -27.6 | 0 | 0 | 0 | 114.2 | ||||
| 1287 | G | 38.7 | Very low | 36.2 | Very low | 77 Ų | 77 | 124.5 Ų | 124.5 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -176.6 | 143 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1288 | S | 35.3 | Very low | 35.9 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -143.3 | 154.4 | -174.1 | 76.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1289 | K | 30.2 | Very low | 35.9 | Very low | 211 Ų | 211 | 122 Ų | 122 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | trans | 76.5 | 134.6 | 170.4 | -164.2 | -175.5 | 176.3 | -171.8 | 0 | 116.8 | ||||
| 1290 | G | 36.9 | Very low | 35.7 | Very low | 62 Ų | 62 | 126.4 Ų | 126.4 | 64% | 0.639 | 78% | 0.777 | S | S | * | * | trans | 142.4 | 84.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1291 | E | 35.4 | Very low | 35.9 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | 61.9 | 106.5 | 98 | -63.2 | -144.8 | 132.8 | 0 | 0 | 112.1 | |||||
| 1292 | R | 27.7 | Very low | 36.4 | Very low | 209 Ų | 209 | 125.3 Ų | 125.3 | 79% | 0.789 | 77% | 0.771 | S | S | * | * | 73.7 | 126.6 | 83.8 | -177.3 | -166.3 | -72.5 | 134.2 | 3.9 | 111.9 | |||||
| 1293 | G | 44.6 | Very low | 35.9 | Very low | 65 Ų | 65 | 124.1 Ų | 124.1 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | trans | 114.9 | 88.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1294 | E | 27.8 | Very low | 35.4 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | cis | 59.8 | 122 | 24.1 | -141.3 | 172.5 | -150.2 | 0 | 0 | 112.1 | ||||
| 1295 | D | 29.7 | Very low | 35.6 | Very low | 138 Ų | 138 | 127.9 Ų | 127.9 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | 55.9 | 106.4 | -179 | -53.7 | -24.8 | 0 | 0 | 0 | 115.3 | ||||
| 1296 | G | 39.4 | Very low | 34.7 | Very low | 65 Ų | 65 | 125.8 Ų | 125.8 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | cis | 74 | 159.1 | 21.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1297 | I | 37.9 | Very low | 34.4 | Very low | 141 Ų | 141 | 121.4 Ų | 121.4 | 72% | 0.723 | 72% | 0.722 | S | S | * | * | trans | 72.7 | 136.3 | -172.2 | -45.1 | 150 | 0 | 0 | 0 | 109.7 | ||||
| 1298 | P | 36.4 | Very low | 34.6 | Very low | 120 Ų | 120 | 120 Ų | 120 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | cis | -119.8 | 156.2 | 25.4 | 19.3 | 4.5 | 0 | 0 | 0 | 115.2 | ||||
| 1299 | G | 34.3 | Very low | 34.4 | Very low | 55 Ų | 55 | 121.2 Ų | 121.2 | 57% | 0.567 | 70% | 0.703 | S | S | * | * | cis | 95.2 | 137.2 | -0.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1300 | L | 31.5 | Very low | 35 | Very low | 162 Ų | 162 | 116.5 Ų | 116.5 | 85% | 0.848 | 69% | 0.694 | S | S | * | * | trans | 68.2 | 173.2 | 172.8 | -45.8 | 132.5 | 0 | 0 | 0 | 114.5 | ||||
| 1301 | P | 33.5 | Very low | 34.8 | Very low | 123 Ų | 123 | 116.6 Ų | 116.6 | 80% | 0.799 | 70% | 0.695 | S | S | * | * | cis | -108.2 | 166.5 | -26.2 | 9.6 | 13.9 | 0 | 0 | 0 | 110.7 | ||||
| 1302 | G | 40.6 | Very low | 34.6 | Very low | 62 Ų | 62 | 117.4 Ų | 117.4 | 64% | 0.639 | 70% | 0.704 | S | S | * | * | cis | 124.1 | 177.2 | 16.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1303 | L | 29.8 | Very low | 35.1 | Very low | 168 Ų | 168 | 113.1 Ų | 113.1 | 88% | 0.88 | 70% | 0.703 | S | S | * | * | trans | 71.8 | 148.2 | -175.7 | -50.8 | 174.5 | 0 | 0 | 0 | 113.8 | ||||
| 1304 | R | 31.1 | Very low | 34.5 | Very low | 226 Ų | 226 | 112.1 Ų | 112.1 | 85% | 0.853 | 69% | 0.693 | S | S | * | * | cis | -166.7 | 142.2 | -18 | 171.3 | 173.1 | -173.7 | 173.9 | 0.7 | 105 | ||||
| 1305 | G | 37 | Very low | 34.8 | Very low | 59 Ų | 59 | 110.9 Ų | 110.9 | 61% | 0.608 | 68% | 0.681 | S | S | * | * | cis | 114.5 | 88.5 | 18.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1306 | E | 30.4 | Very low | 34.9 | Very low | 130 Ų | 130 | 105.9 Ų | 105.9 | 61% | 0.607 | 65% | 0.653 | S | S | * | * | trans | -155.2 | 142.7 | -163.9 | -112.2 | -154.5 | 159.2 | 0 | 0 | 108.4 | G1193 P1194 T1195 | G1193-E1306 CarbonylContact O-C 3.49Å; G1193-E1306 VanDerWaalsContact O-CA 3.29Å; G1193-E1306 WeakPolarHBondContact O-CA 2.99Å; G1193-E1306 WeakPolarHBondContact O-CB 3.49Å; G1193-E1306 WeakPolarHBondContact O-CG 3.35Å; P1194-E1306 VanDerWaalsContact CA-OE2 3.24Å; P1194-E1306 WeakPolarHBondContact CA-OE2 3.3Å; P1194-E1306 HydrophobicContact CB-CB 4.47Å; T1195-E1306 PolarHBondContact N-OE2 3.43Å | ||
| 1307 | A | 33.6 | Very low | 34.8 | Very low | 37 Ų | 37 | 105.9 Ų | 105.9 | 31% | 0.306 | 65% | 0.652 | S | S | . | * | trans | -125.5 | -178.7 | -148.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | L1191 S1192 G1193 P1194 | L1191-A1307 HydrophobicContact CD2-CB 4.17Å; S1192-A1307 WeakPolarHBondContact O-CB 3.48Å; S1192-A1307 PolarHBondContact O-N 3.04Å; G1193-A1307 CarbonylContact C-O 3.14Å; G1193-A1307 VanDerWaalsContact C-O 3.25Å; G1193-A1307 WeakPolarHBondContact CA-O 3.45Å; G1193-A1307 PolarHBondContact N-O 3.19Å; G1193-A1307 PolarHBondContact O-N 2.61Å; P1194-A1307 WeakPolarHBondContact CD-O 3.34Å | ||
| 1308 | G | 43.9 | Very low | 34.4 | Very low | 48 Ų | 48 | 106.8 Ų | 106.8 | 50% | 0.495 | 65% | 0.653 | S | S | . | * | trans | -102.9 | -166.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1191 | L1191-G1308 WeakPolarHBondContact CB-O 3.26Š| ||
| 1309 | I | 30.5 | Very low | 34.5 | Very low | 147 Ų | 147 | 108.4 Ų | 108.4 | 75% | 0.754 | 66% | 0.661 | S | S | * | * | trans | -143.5 | 149.1 | 169.8 | -67.1 | -172.3 | 0 | 0 | 0 | 108.9 | ||||
| 1310 | P | 42.3 | Very low | 34.5 | Very low | 111 Ų | 111 | 109 Ų | 109 | 72% | 0.721 | 67% | 0.668 | S | S | * | * | trans | -123.2 | 165.4 | -160.6 | 41.7 | -28.7 | 0 | 0 | 0 | 118.4 | L1191 | L1191-P1310 HydrophobicContact CD1-CG 4.27Š| ||
| 1311 | G | 33.6 | Very low | 34.4 | Very low | 65 Ų | 65 | 109.9 Ų | 109.9 | 67% | 0.67 | 67% | 0.672 | S | S | * | * | trans | 178.3 | 121.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1312 | L | 31.5 | Very low | 34.5 | Very low | 170 Ų | 170 | 113 Ų | 113 | 89% | 0.89 | 68% | 0.678 | S | S | * | * | 70.8 | 141.4 | 65.4 | -69 | 174.7 | 0 | 0 | 0 | 114.4 | |||||
| 1313 | P | 37.7 | Very low | 34.2 | Very low | 118 Ų | 118 | 112.7 Ų | 112.7 | 77% | 0.766 | 68% | 0.675 | S | S | * | * | cis | -137.2 | -174.8 | -47.2 | 37.4 | -19.5 | 0 | 0 | 0 | 112.8 | ||||
| 1314 | G | 33.2 | Very low | 34.2 | Very low | 45 Ų | 45 | 111.5 Ų | 111.5 | 46% | 0.464 | 67% | 0.669 | S | S | . | * | trans | -170.4 | -27.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1315 | R | 32.6 | Very low | 34.4 | Very low | 138 Ų | 138 | 106.9 Ų | 106.9 | 52% | 0.521 | 67% | 0.668 | S | S | . | * | trans | 69.4 | 112 | 165.5 | -64.4 | -176.4 | 158.3 | -168 | -2.9 | 122.5 | M218 F221 G1166 I1167 | M218-R1315 HydrophobicContact CE-CB 3.77Å; M218-R1315 WeakPolarHBondContact CE-O 3.31Å; M218-R1315 HydrophobicContact SD-CB 3.89Å; F221-R1315 HydrophobicContact CZ-CG 4.15Å; G1166-R1315 CarbonylContact O-C 3.25Å; I1167-R1315 CarbonylContact O-C 3.18Å; I1167-R1315 WeakPolarHBondContact O-CA 3.26Å; I1167-R1315 PolarHBondContact O-N 3.39Å | ||
| 1316 | K | 33.3 | Very low | 34.2 | Very low | 34 Ų | 34 | 105.7 Ų | 105.7 | 15% | 0.148 | 66% | 0.656 | C | S | . | * | 67.7 | 124.3 | 122.6 | -168.2 | -166.2 | 75.5 | -161 | 0 | 123.4 | M218 G219 S220 F221 G1166 I1167 | M218-K1316 VanDerWaalsContact C-NZ 3.34Å; M218-K1316 VanDerWaalsContact CG-CE 3.48Å; M218-K1316 PolarHBondContact O-NZ 3.31Å; M218-K1316 HydrophobicContact SD-CB 4.41Å; M218-K1316 VanDerWaalsContact SD-CE 3.54Å; M218-K1316 PolarHBondContact SD-NZ 3.35Å; M218-K1316 VanDerWaalsContact SD-NZ 3.38Å; G219-K1316 VanDerWaalsContact C-NZ 3.33Å; G219-K1316 VanDerWaalsContact O-CD 3.29Å; G219-K1316 WeakPolarHBondContact O-CD 3.36Å; G219-K1316 WeakPolarHBondContact O-CE 3.25Å; G219-K1316 PolarHBondContact O-NZ 3.29Å; S220-K1316 PolarHBondContact OG-NZ 3.33Å; F221-K1316 HydrophobicContact CD1-CD 3.97Å; F221-K1316 HydrophobicContact CD1-CG 4.2Å; F221-K1316 HydrophobicContact CE1-CB 3.96Å; F221-K1316 HydrophobicContact CE1-CD 3.9Å; F221-K1316 HydrophobicContact CE1-CG 3.93Å; F221-K1316 HydrophobicContact CG-CD 4.48Å; F221-K1316 HydrophobicContact CZ-CB 4.43Å; F221-K1316 HydrophobicContact CZ-CD 4.36Å; G1166-K1316 PolarHBondContact O-N 3.32Å; I1167-K1316 PolarHBondContact O-N 3.24Å | |||
| 1317 | G | 36.8 | Very low | 34.6 | Very low | 64 Ų | 64 | 109 Ų | 109 | 66% | 0.66 | 67% | 0.668 | S | S | * | * | trans | 166.2 | 147.7 | 150 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1318 | E | 29.7 | Very low | 34.7 | Very low | 160 Ų | 160 | 116.8 Ų | 116.8 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | cis | -136.8 | 178.9 | -8.6 | -82.1 | -166.1 | 142.7 | 0 | 0 | 110 | K215 | K215-E1318 IonicContact NZ-OE1 2.76Å; K215-E1318 PolarHBondContact NZ-OE1 3.43Å; K215-E1318 IonicContact NZ-OE2 2.59Å; K215-E1318 PolarHBondContact NZ-OE2 3.45Å | ||
| 1319 | V | 37.9 | Very low | 34.4 | Very low | 154 Ų | 154 | 115.6 Ų | 115.6 | 93% | 0.933 | 68% | 0.677 | S | S | * | * | trans | -98.8 | 137.6 | 179.2 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1320 | G | 33.8 | Very low | 34.5 | Very low | 69 Ų | 69 | 118.2 Ų | 118.2 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | trans | 117.5 | 126.1 | 148 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1321 | L | 29.9 | Very low | 34.3 | Very low | 180 Ų | 180 | 121 Ų | 121 | 94% | 0.942 | 68% | 0.681 | S | S | * | * | trans | -130.6 | 79 | 159.6 | -120.3 | 170.6 | 0 | 0 | 0 | 108.8 | ||||
| 1322 | M | 36.2 | Very low | 34.8 | Very low | 188 Ų | 188 | 120.7 Ų | 120.7 | 93% | 0.926 | 68% | 0.678 | S | S | * | * | trans | -90.6 | 114.7 | 173.2 | 178.8 | 175.1 | 68.4 | 0 | 0 | 109.7 | ||||
| 1323 | G | 34.4 | Very low | 35.4 | Very low | 55 Ų | 55 | 119.4 Ų | 119.4 | 57% | 0.567 | 68% | 0.677 | S | S | * | * | trans | 81.9 | 119.6 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1324 | L | 29 | Very low | 35.9 | Very low | 143 Ų | 143 | 120 Ų | 120 | 75% | 0.749 | 68% | 0.681 | S | S | * | * | trans | -125 | 112.2 | 133.6 | -77.3 | 174.2 | 0 | 0 | 0 | 106.8 | ||||
| 1325 | P | 35 | Very low | 36.2 | Very low | 129 Ų | 129 | 120.6 Ų | 120.6 | 84% | 0.838 | 69% | 0.687 | S | S | * | * | -94.2 | 164 | 111 | -24.5 | 36.5 | 0 | 0 | 0 | 112.8 | |||||
| 1326 | G | 33.1 | Very low | 36.4 | Very low | 35 Ų | 35 | 122.1 Ų | 122.1 | 36% | 0.361 | 71% | 0.705 | S | S | . | * | trans | 114.8 | 26.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | R1328 | G1326-R1328 PolarHBondContact O-N 2.94Š| ||
| 1327 | K | 39.8 | Very low | 37 | Very low | 198 Ų | 198 | 126.6 Ų | 126.6 | 86% | 0.861 | 74% | 0.737 | S | S | * | * | trans | -89.6 | 63.6 | 169.4 | -94 | -164.3 | 177.1 | -176.5 | 0 | 113.7 | ||||
| 1328 | R | 34.8 | Very low | 37.8 | Very low | 201 Ų | 201 | 126 Ų | 126 | 76% | 0.758 | 73% | 0.731 | S | S | * | * | trans | -150.1 | 121.5 | 140.8 | -160.5 | 176.3 | -170.5 | -177 | 3.4 | 108.5 | G1326 | G1326-R1328 PolarHBondContact O-N 2.94Š| ||
| 1329 | G | 38.1 | Very low | 37.7 | Very low | 23 Ų | 23 | 124.5 Ų | 124.5 | 24% | 0.237 | 74% | 0.735 | C | S | . | * | cis | -164.8 | 157.2 | -10.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | K1727 P1728 | G1329-K1727 WeakPolarHBondContact O-CA 3.24Å; G1329-K1727 WeakPolarHBondContact O-CG 3.38Å; G1329-P1728 WeakPolarHBondContact O-CD 3.31Å | ||
| 1330 | K | 32.8 | Very low | 37.8 | Very low | 203 Ų | 203 | 126.9 Ų | 126.9 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | trans | -89.2 | 114.3 | 161.6 | -79.2 | -169.7 | 174.1 | -172.2 | 0 | 107.4 | ||||
| 1331 | Y | 37.1 | Very low | 37.7 | Very low | 169 Ų | 169 | 126.7 Ų | 126.7 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | trans | -82.4 | 155.2 | 156.6 | -107.5 | -80.1 | 0 | 0 | 0 | 109.5 | ||||
| 1332 | G | 44.2 | Very low | 37.8 | Very low | 59 Ų | 59 | 126 Ų | 126 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | trans | 64.5 | 99.5 | 149.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | P1334 | G1332-P1334 WeakPolarHBondContact O-CD 3.49Š| ||
| 1333 | T | 43.5 | Very low | 37.7 | Very low | 142 Ų | 142 | 122.4 Ų | 122.4 | 87% | 0.871 | 73% | 0.731 | S | S | * | * | trans | -78.8 | 110.6 | 134.4 | 43.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1334 | P | 48.4 | Very low | 38 | Very low | 131 Ų | 131 | 122.8 Ų | 122.8 | 85% | 0.851 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -71 | 147.7 | -179.7 | -17.2 | 33.2 | 0 | 0 | 0 | 111.7 | G1332 | G1332-P1334 WeakPolarHBondContact O-CD 3.49Š|
| 1335 | G | 40.5 | Very low | 38 | Very low | 57 Ų | 57 | 124.1 Ų | 124.1 | 59% | 0.588 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 171.9 | -161 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 1336 | L | 36.6 | Very low | 37.8 | Very low | 171 Ų | 171 | 123.2 Ų | 123.2 | 90% | 0.895 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -67.8 | 146.2 | 156.4 | -68.2 | 160.1 | 0 | 0 | 0 | 109.4 | ||
| 1337 | P | 46.1 | Very low | 37.9 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 83% | 0.831 | 74% | 0.736 | S | S | * | * | S | Bend | cis | -137.9 | 101.7 | -34.1 | 32.9 | -13.7 | 0 | 0 | 0 | 111 | ||
| 1338 | G | 52.9 | Low | 37.6 | Very low | 52 Ų | 52 | 118.8 Ų | 118.8 | 54% | 0.536 | 72% | 0.718 | S | S | . | * | cis | -143.3 | -32.4 | -1.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1339 | P | 27.9 | Very low | 38 | Very low | 128 Ų | 128 | 116.8 Ų | 116.8 | 83% | 0.831 | 72% | 0.715 | S | S | * | * | cis | -68.8 | 121.8 | -47.6 | 32.8 | -29.2 | 0 | 0 | 0 | 110.6 | ||||
| 1340 | Q | 40 | Very low | 38.2 | Very low | 204 Ų | 204 | 117.8 Ų | 117.8 | 95% | 0.953 | 73% | 0.725 | S | S | * | * | trans | -25.9 | 120.4 | 171.2 | 176.6 | -179.8 | -21.6 | 0 | 0 | 117.8 | ||||
| 1341 | G | 32.3 | Very low | 38.5 | Very low | 65 Ų | 65 | 114 Ų | 114 | 67% | 0.67 | 72% | 0.719 | S | S | * | * | trans | 149.5 | 132.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1342 | D | 31.6 | Very low | 39.3 | Very low | 165 Ų | 165 | 112 Ų | 112 | 88% | 0.882 | 73% | 0.727 | S | S | * | * | cis | -117.4 | 150.2 | 6.7 | -66.4 | -46.3 | 0 | 0 | 0 | 113.2 | ||||
| 1343 | A | 34.7 | Very low | 39.2 | Very low | 112 Ų | 112 | 112.6 Ų | 112.6 | 93% | 0.926 | 73% | 0.733 | S | S | * | * | trans | -81.3 | 114.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1344 | G | 40.2 | Very low | 39.1 | Very low | 64 Ų | 64 | 117.8 Ų | 117.8 | 66% | 0.66 | 74% | 0.737 | S | S | * | * | trans | -133.5 | 57.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1345 | F | 29 | Very low | 39 | Very low | 170 Ų | 170 | 117.8 Ų | 117.8 | 75% | 0.746 | 74% | 0.737 | S | S | * | * | trans | 178.8 | 137.4 | 132 | -99.4 | -68.2 | 0 | 0 | 0 | 110.4 | T253 | T253-F1345 HydrophobicContact CG2-CE1 4.05Å; T253-F1345 HydrophobicContact CG2-CZ 4.21Å | ||
| 1346 | P | 31.4 | Very low | 39 | Very low | 111 Ų | 111 | 118.3 Ų | 118.3 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | trans | -80.3 | 150 | -178.4 | -14.2 | 30.7 | 0 | 0 | 0 | 114.6 | V1152 | V1152-P1346 HydrophobicContact CG2-CB 4.02Š| ||
| 1347 | G | 34.6 | Very low | 39 | Very low | 48 Ų | 48 | 116.3 Ų | 116.3 | 50% | 0.495 | 74% | 0.742 | S | S | . | * | trans | 101.6 | 154.5 | 147.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1348 | L | 34 | Very low | 38.5 | Very low | 91 Ų | 91 | 122.2 Ų | 122.2 | 48% | 0.476 | 75% | 0.748 | S | S | . | * | cis | -165.4 | 138.4 | -10.4 | -141.7 | 155 | 0 | 0 | 0 | 113.3 | G1151 | G1151-L1348 WeakPolarHBondContact O-CD2 2.99Š| ||
| 1349 | K | 41.6 | Very low | 37.7 | Very low | 160 Ų | 160 | 122.6 Ų | 122.6 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | trans | 71.7 | 137.4 | 162.2 | -112.4 | 167.5 | -178.7 | 164.8 | 0 | 119.1 | ||||
| 1350 | G | 43 | Very low | 38.2 | Very low | 43 Ų | 43 | 127.6 Ų | 127.6 | 44% | 0.443 | 76% | 0.756 | S | S | . | * | cis | 142.5 | 141.4 | -30.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1351 | T | 37.9 | Very low | 38.5 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | trans | 67.9 | 168.9 | 146.1 | 65.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1352 | P | 54.6 | Low | 38.7 | Very low | 128 Ų | 128 | 124.2 Ų | 124.2 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | cis | -124.1 | -175.9 | -10.5 | 24.9 | -1.5 | 0 | 0 | 0 | 113.5 | ||||
| 1353 | G | 41.7 | Very low | 39 | Very low | 71 Ų | 71 | 126.3 Ų | 126.3 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | cis | 153.1 | 123.4 | -17.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1354 | R | 41.6 | Very low | 39.4 | Very low | 250 Ų | 250 | 127.2 Ų | 127.2 | 94% | 0.943 | 75% | 0.752 | S | S | * | * | trans | 63.2 | 173.5 | 162.6 | -76.5 | -175.6 | 168.7 | -165.1 | -3.2 | 118.4 | ||||
| 1355 | P | 47 | Very low | 39.3 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | cis | -120.2 | -162.7 | -4.5 | 43 | -27.9 | 0 | 0 | 0 | 113.4 | ||||
| 1356 | G | 40.1 | Very low | 39.8 | Very low | 68 Ų | 68 | 124.8 Ų | 124.8 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | cis | 156.8 | 118.8 | -24.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1357 | S | 36.1 | Very low | 40.1 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | trans | 91.4 | 139.5 | 152.3 | 81.4 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1358 | R | 37.3 | Very low | 40.4 | Very low | 253 Ų | 253 | 127.6 Ų | 127.6 | 96% | 0.955 | 78% | 0.777 | S | S | * | * | trans | 82.7 | 135.7 | 150.6 | -157.1 | 174.5 | -171.5 | 172.5 | 3 | 123.2 | ||||
| 1359 | G | 36.2 | Very low | 40.3 | Very low | 60 Ų | 60 | 130.6 Ų | 130.6 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | trans | 101 | 142.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1360 | Y | 38.2 | Very low | 40.4 | Very low | 232 Ų | 232 | 128.8 Ų | 128.8 | 91% | 0.91 | 79% | 0.793 | S | S | * | * | cis | -146.5 | 165.2 | 0.8 | -87.4 | -94.8 | 0 | 0 | 0 | 111 | ||||
| 1361 | P | 44.9 | Very low | 40.4 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -107.7 | 156 | -178.8 | 39 | -32.3 | 0 | 0 | 0 | 116.2 | ||||
| 1362 | G | 37.7 | Very low | 40.4 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | 104.2 | 132.5 | 137.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1363 | K | 36.3 | Very low | 39.9 | Very low | 208 Ų | 208 | 130.8 Ų | 130.8 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | -137.6 | 150.9 | 135.3 | -87.4 | -164.6 | 175.6 | -176.1 | 0 | 109.4 | ||||
| 1364 | P | 44.5 | Very low | 39.8 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | trans | -94.5 | 167.2 | -165.1 | -2.3 | 24.3 | 0 | 0 | 0 | 113.8 | ||||
| 1365 | G | 36.9 | Very low | 39.5 | Very low | 82 Ų | 82 | 126.9 Ų | 126.9 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -96.3 | -178.5 | 171 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1366 | A | 39.8 | Very low | 38.9 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -118.8 | 136.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1367 | N | 37.5 | Very low | 38.8 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -129.2 | 151.5 | 179.3 | -96.5 | -9.8 | 0 | 0 | 0 | 110.3 | ||||
| 1368 | G | 40.7 | Very low | 38.7 | Very low | 63 Ų | 63 | 133.3 Ų | 133.3 | 65% | 0.649 | 81% | 0.813 | S | S | * | * | trans | 152.4 | 100.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1369 | H | 33 | Very low | 38.8 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | cis | 75.3 | 147.1 | 45.6 | -48.6 | -2.3 | 0 | 0 | 0 | 113 | ||||
| 1370 | P | 42.6 | Very low | 39 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | cis | -142.8 | 136.4 | -42 | 36.5 | -19.4 | 0 | 0 | 0 | 115.5 | ||||
| 1371 | G | 44.8 | Very low | 39.1 | Very low | 84 Ų | 84 | 125.6 Ų | 125.6 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | 65.9 | 143 | 141.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1372 | S | 36.3 | Very low | 38.9 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -153.9 | 150.3 | 153.4 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1373 | P | 45.7 | Very low | 39.2 | Very low | 135 Ų | 135 | 127.1 Ų | 127.1 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -116.5 | 162.4 | -178 | 40.7 | -32.3 | 0 | 0 | 0 | 115 | ||||
| 1374 | G | 38.2 | Very low | 39.7 | Very low | 81 Ų | 81 | 123 Ų | 123 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 156.3 | 152.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1375 | E | 35.4 | Very low | 39.7 | Very low | 157 Ų | 157 | 120.9 Ų | 120.9 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -110.7 | 158.8 | 178.3 | -57.8 | -168 | 165.5 | 0 | 0 | 114.7 | ||||
| 1376 | R | 34.5 | Very low | 40.1 | Very low | 225 Ų | 225 | 120 Ų | 120 | 85% | 0.849 | 78% | 0.784 | S | S | * | * | trans | 79.4 | 123.7 | 138.1 | -153.7 | 179.7 | -59.5 | -151 | 2.2 | 120.1 | ||||
| 1377 | G | 38.1 | Very low | 40 | Very low | 70 Ų | 70 | 121 Ų | 121 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | 178 | 149.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1378 | L | 33.9 | Very low | 40.2 | Very low | 168 Ų | 168 | 124.4 Ų | 124.4 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | trans | -142.2 | 151.4 | -171.2 | -87.1 | 170.7 | 0 | 0 | 0 | 114.1 | ||||
| 1379 | S | 39.6 | Very low | 40 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 62.5 | 147.9 | 161.1 | 49.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1380 | G | 40 | Very low | 40.5 | Very low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | cis | -134 | -138.7 | -1.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1381 | E | 40.1 | Very low | 40.4 | Very low | 190 Ų | 190 | 129.4 Ų | 129.4 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | cis | -153.1 | -173.4 | 1.7 | -92 | -147.1 | 71.6 | 0 | 0 | 111.1 | ||||
| 1382 | Q | 41.9 | Very low | 39.9 | Very low | 171 Ų | 171 | 128.4 Ų | 128.4 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | trans | -57.5 | 150 | 165.8 | 177.1 | 173.2 | -116.1 | 0 | 0 | 111 | ||||
| 1383 | G | 44 | Very low | 39.8 | Very low | 60 Ų | 60 | 132.6 Ų | 132.6 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | cis | 102.9 | -174.5 | 20 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1384 | P | 46.1 | Very low | 39.3 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | cis | -76 | -162.3 | -5.8 | 38.5 | -39.8 | 0 | 0 | 0 | 110.7 | ||||
| 1385 | A | 45.3 | Very low | 38.9 | Very low | 87 Ų | 87 | 134.7 Ų | 134.7 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | cis | -148.1 | 178.5 | 11.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1386 | G | 45.4 | Very low | 38.7 | Very low | 64 Ų | 64 | 135 Ų | 135 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | cis | 88.4 | 123.4 | 17.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1387 | D | 36.4 | Very low | 39 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 65% | 0.652 | 76% | 0.76 | S | S | * | * | cis | -146.6 | 159.2 | 2 | -100.8 | -1 | 0 | 0 | 0 | 107.2 | ||||
| 1388 | R | 41.4 | Very low | 38.9 | Very low | 225 Ų | 225 | 127 Ų | 127 | 85% | 0.849 | 74% | 0.744 | S | S | * | * | cis | -161 | 175.2 | -10.6 | -112.5 | 165.1 | 176 | 138.7 | -5.5 | 104.7 | ||||
| 1389 | G | 38 | Very low | 38.9 | Very low | 73 Ų | 73 | 124.5 Ų | 124.5 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | cis | 178.4 | -168.9 | 7.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1390 | R | 43 | Very low | 38.8 | Very low | 228 Ų | 228 | 128.2 Ų | 128.2 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | cis | -139.9 | 110.7 | -1 | 177.2 | -172.6 | -171.3 | 178.2 | 4.6 | 107.3 | ||||
| 1391 | D | 39.3 | Very low | 38.8 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | trans | 55 | 111.9 | 149.5 | -39.7 | -29.5 | 0 | 0 | 0 | 121.1 | ||||
| 1392 | G | 35.3 | Very low | 38.6 | Very low | 63 Ų | 63 | 127.7 Ų | 127.7 | 65% | 0.649 | 73% | 0.726 | S | S | * | * | trans | -80.2 | -170.4 | 137.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1393 | Y | 35 | Very low | 38.4 | Very low | 206 Ų | 206 | 131.4 Ų | 131.4 | 81% | 0.808 | 73% | 0.732 | S | S | * | * | cis | -170.8 | 165.1 | 32.9 | -110.1 | -72.3 | 0 | 0 | 0 | 112.8 | ||||
| 1394 | F | 33.5 | Very low | 38.2 | Very low | 195 Ų | 195 | 132.1 Ų | 132.1 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | trans | 64.1 | 125.9 | 147.9 | -81.4 | -58.3 | 0 | 0 | 0 | 125.1 | ||||
| 1395 | G | 31 | Very low | 37.8 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | trans | 172.1 | 143.6 | 153.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1396 | I | 30.8 | Very low | 37.4 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | cis | -151.2 | 154.5 | -1.9 | -46.7 | 168.9 | 0 | 0 | 0 | 105.5 | ||||
| 1397 | P | 41.5 | Very low | 37 | Very low | 90 Ų | 90 | 138.6 Ų | 138.6 | 58% | 0.584 | 76% | 0.756 | S | S | * | * | trans | -114.5 | 125.5 | 156.2 | 4.1 | 17.1 | 0 | 0 | 0 | 112.6 | A806 | A806-P1397 WeakPolarHBondContact O-CB 3.47Š| ||
| 1398 | G | 36.3 | Very low | 37 | Very low | 38 Ų | 38 | 143.1 Ų | 143.1 | 39% | 0.392 | 77% | 0.77 | S | S | . | * | trans | -171.1 | 107 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P803 | P803-G1398 WeakPolarHBondContact O-CA 3.26Š| ||
| 1399 | Q | 33.2 | Very low | 37 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 53% | 0.533 | 77% | 0.767 | S | S | . | * | trans | 171.6 | 148.8 | 130.5 | -98.6 | -172.6 | 55 | 0 | 0 | 113.8 | P803 | P803-Q1399 HydrophobicContact CB-CG 4.28Å; P803-Q1399 HydrophobicContact CG-CG 3.39Å | ||
| 1400 | K | 36.6 | Very low | 37.1 | Very low | 203 Ų | 203 | 138.4 Ų | 138.4 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -147.4 | 128.5 | 147.1 | 178.7 | -177.8 | 176.5 | -178.3 | 0 | 110.3 | ||||
| 1401 | G | 40 | Very low | 36.8 | Very low | 70 Ų | 70 | 135.4 Ų | 135.4 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | 119.4 | 63.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1402 | E | 35.8 | Very low | 36.7 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -83.2 | 124.9 | 164.5 | -69.5 | -166.2 | 146.5 | 0 | 0 | 112.7 | ||||
| 1403 | R | 39.4 | Very low | 36.9 | Very low | 249 Ų | 249 | 134.9 Ų | 134.9 | 94% | 0.94 | 78% | 0.775 | S | S | * | * | trans | -160 | 117.2 | 137.5 | -177 | 179 | -65.8 | -162.5 | 0.3 | 110 | ||||
| 1404 | G | 39.8 | Very low | 37.4 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | 164 | 67.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1405 | L | 36.9 | Very low | 37.6 | Very low | 168 Ų | 168 | 129 Ų | 129 | 88% | 0.88 | 77% | 0.773 | S | S | * | * | trans | -79 | 119.9 | 169.9 | -71.8 | 172.2 | 0 | 0 | 0 | 109.4 | ||||
| 1406 | D | 36.1 | Very low | 37.8 | Very low | 171 Ų | 171 | 129.3 Ų | 129.3 | 91% | 0.914 | 78% | 0.776 | S | S | * | * | -172.3 | 144.1 | 129.8 | -100 | -25.1 | 0 | 0 | 0 | 111.8 | |||||
| 1407 | G | 37.9 | Very low | 38.2 | Very low | 70 Ų | 70 | 128.3 Ų | 128.3 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | 93.7 | 101.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1408 | F | 35.6 | Very low | 38 | Very low | 218 Ų | 218 | 135.6 Ų | 135.6 | 96% | 0.956 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 117.2 | 163.6 | -86.8 | -80 | 0 | 0 | 0 | 111.7 | ||
| 1409 | P | 42.6 | Very low | 38.5 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 121.9 | 159 | 3.2 | 18 | 0 | 0 | 0 | 110.6 | ||
| 1410 | G | 40.5 | Very low | 38.7 | Very low | 80 Ų | 80 | 136.2 Ų | 136.2 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 152.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1411 | I | 35.6 | Very low | 39.3 | Very low | 164 Ų | 164 | 136.5 Ų | 136.5 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -142.3 | 178.5 | 176.3 | -12.2 | 177.7 | 0 | 0 | 0 | 110.5 | ||||
| 1412 | P | 37.8 | Very low | 39.1 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | -111.1 | 178.6 | -115.6 | 40.9 | -25.9 | 0 | 0 | 0 | 115 | |||||
| 1413 | G | 38.2 | Very low | 38.9 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | -111.9 | 155.7 | -165.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1414 | L | 46 | Very low | 39.2 | Very low | 149 Ų | 149 | 124.2 Ų | 124.2 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | trans | 69 | 134.2 | 154.5 | -65.5 | 166 | 0 | 0 | 0 | 119 | ||||
| 1415 | P | 38.4 | Very low | 39.5 | Very low | 129 Ų | 129 | 123 Ų | 123 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | -146.7 | 161 | 98 | 39.2 | -25 | 0 | 0 | 0 | 116.8 | |||||
| 1416 | G | 35.6 | Very low | 39.5 | Very low | 71 Ų | 71 | 120.9 Ų | 120.9 | 73% | 0.732 | 72% | 0.717 | S | S | * | * | trans | 89.6 | 108.8 | 146.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1417 | Q | 38.5 | Very low | 40.1 | Very low | 143 Ų | 143 | 118.9 Ų | 118.9 | 67% | 0.668 | 71% | 0.713 | S | S | * | * | trans | -75.3 | 155.2 | 172.2 | -66.7 | 163.1 | -49 | 0 | 0 | 113.4 | P835 K836 | P835-Q1417 HydrophobicContact CB-CG 4.38Å; K836-Q1417 PolarHBondContact O-NE2 3.48Å | ||
| 1418 | R | 36.8 | Very low | 40 | Very low | 242 Ų | 242 | 118.7 Ų | 118.7 | 91% | 0.913 | 71% | 0.711 | S | S | * | * | trans | -134.3 | 139.9 | 140 | 172.9 | 169.4 | -83.2 | -165.7 | -5.3 | 108.1 | ||||
| 1419 | G | 46.8 | Very low | 40.2 | Very low | 40 Ų | 40 | 114.9 Ų | 114.9 | 41% | 0.412 | 71% | 0.708 | S | S | . | * | trans | -90.6 | 160.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116 | G837 | G837-G1419 CarbonylContact O-C 3.53Å; G837-G1419 WeakPolarHBondContact O-CA 3.14Å | ||
| 1420 | D | 37.7 | Very low | 40.1 | Very low | 126 Ų | 126 | 115.9 Ų | 115.9 | 67% | 0.674 | 71% | 0.706 | S | S | * | * | trans | -79.9 | 138.9 | 178.4 | -59.7 | -60.7 | 0 | 0 | 0 | 111.5 | G837 R839 | G837-D1420 PolarHBondContact O-N 3.49Å; G837-D1420 VanDerWaalsContact O-N 3.1Å; R839-D1420 PolarHBondContact N-O 3.09Å | ||
| 1421 | R | 49.5 | Very low | 40 | Very low | 209 Ų | 209 | 118.8 Ų | 118.8 | 79% | 0.789 | 70% | 0.702 | S | S | * | * | trans | -113.7 | 111.7 | -168.4 | -179.7 | -169.8 | 177.5 | -166 | -0.7 | 112.9 | ||||
| 1422 | G | 34.9 | Very low | 40.1 | Very low | 25 Ų | 25 | 119.4 Ų | 119.4 | 26% | 0.258 | 70% | 0.695 | S | S | . | * | -98.6 | 172.7 | 117.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | G840 | G840-G1422 VanDerWaalsContact CA-O 3.27Å; G840-G1422 WeakPolarHBondContact CA-O 3.49Å; G840-G1422 PolarHBondContact N-O 2.95Å | |||
| 1423 | D | 31.5 | Very low | 40.2 | Very low | 93 Ų | 93 | 119.2 Ų | 119.2 | 50% | 0.497 | 69% | 0.692 | S | S | . | * | cis | -168 | -164.7 | -7.1 | -116.9 | 8.1 | 0 | 0 | 0 | 107.1 | G840 S842 | G840-D1423 VanDerWaalsContact O-CB 3.28Å; G840-D1423 WeakPolarHBondContact O-CB 3.03Å; G840-D1423 PolarHBondContact O-N 2.94Å; S842-D1423 PolarHBondContact N-OD2 2.81Å; S842-D1423 WeakPolarHBondContact O-CB 3.44Å | ||
| 1424 | I | 45.7 | Very low | 40.2 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 62% | 0.621 | 70% | 0.697 | S | S | * | * | trans | -122.8 | 107.9 | -169.1 | -57.3 | 177.9 | 0 | 0 | 0 | 113.3 | S842 | S842-I1424 PolarHBondContact O-N 2.89Å; S842-I1424 PolarHBondContact OG-O 2.81Å; S842-I1424 VanDerWaalsContact OG-O 3.1Å | ||
| 1425 | G | 47.4 | Very low | 39.9 | Very low | 48 Ų | 48 | 124 Ų | 124 | 50% | 0.495 | 70% | 0.698 | S | S | . | * | P | Polyproline II helix | trans | -65.1 | 154.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S842 | S842-G1425 PolarHBondContact OG-N 3.38Š|
| 1426 | P | 36.2 | Very low | 40.4 | Very low | 124 Ų | 124 | 121.9 Ų | 121.9 | 81% | 0.805 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -73 | 149.9 | -167.8 | 28.8 | -35.9 | 0 | 0 | 0 | 114.1 | ||
| 1427 | P | 49.3 | Very low | 40.4 | Very low | 130 Ų | 130 | 120.6 Ų | 120.6 | 84% | 0.844 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 149.1 | -166.8 | -12.4 | 30.7 | 0 | 0 | 0 | 115.6 | ||
| 1428 | G | 35.3 | Very low | 40.8 | Very low | 66 Ų | 66 | 117.7 Ų | 117.7 | 68% | 0.68 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 172 | 159.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1429 | P | 41 | Very low | 40.7 | Very low | 137 Ų | 137 | 113 Ų | 113 | 89% | 0.89 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 172.1 | -154.6 | 31.3 | -37 | 0 | 0 | 0 | 117.6 | ||
| 1430 | I | 38.6 | Very low | 40.8 | Very low | 141 Ų | 141 | 114.2 Ų | 114.2 | 72% | 0.723 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 145 | -165.1 | -52.6 | 155.2 | 0 | 0 | 0 | 112.3 | Y1432 | I1430-Y1432 HydrophobicContact CG2-CE1 4.41Š|
| 1431 | D | 39.4 | Very low | 41.1 | Very low | 140 Ų | 140 | 113.9 Ų | 113.9 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | trans | -156.1 | -178.2 | 136.4 | -149 | -91.9 | 0 | 0 | 0 | 111.1 | ||||
| 1432 | Y | 36.6 | Very low | 41 | Very low | 178 Ų | 178 | 110.3 Ų | 110.3 | 70% | 0.698 | 68% | 0.683 | S | S | * | * | trans | -113 | 163.3 | -155.9 | -46.8 | -89.1 | 0 | 0 | 0 | 113.3 | I1430 | I1430-Y1432 HydrophobicContact CG2-CE1 4.41Š| ||
| 1433 | T | 40.8 | Very low | 41.7 | Very low | 122 Ų | 122 | 112.3 Ų | 112.3 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | cis | -169.3 | 152.9 | 44.9 | 36.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1434 | K | 37.8 | Very low | 42.7 | Very low | 187 Ų | 187 | 113.8 Ų | 113.8 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | trans | 25.2 | 153.3 | 138.3 | -57.5 | 175.8 | -178.7 | 176.5 | 0 | 122.9 | ||||
| 1435 | T | 40.1 | Very low | 42.7 | Very low | 131 Ų | 131 | 114.1 Ų | 114.1 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | cis | -170.3 | 169.9 | -16.4 | 28.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1436 | P | 48.2 | Very low | 42.5 | Very low | 85 Ų | 85 | 115.7 Ų | 115.7 | 55% | 0.552 | 75% | 0.745 | S | S | * | * | trans | -120.7 | 178.8 | -162.3 | 34.6 | -17.1 | 0 | 0 | 0 | 119.6 | F970 | F970-P1436 CarbonylContact O-C 3.56Å; F970-P1436 WeakPolarHBondContact O-CG 3.23Å | ||
| 1437 | G | 36.9 | Very low | 42.8 | Very low | 44 Ų | 44 | 118.9 Ų | 118.9 | 45% | 0.454 | 75% | 0.75 | S | S | . | * | trans | -163.2 | 155.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | A971 G972 | A971-G1437 CarbonylContact O-C 3.5Å; A971-G1437 WeakPolarHBondContact O-CA 3.23Å; A971-G1437 PolarHBondContact O-N 2.97Å; A971-G1437 VanDerWaalsContact O-O 3.13Å; G972-G1437 WeakPolarHBondContact CA-O 3.23Å | ||
| 1438 | P | 45.6 | Very low | 42.8 | Very low | 82 Ų | 82 | 118.9 Ų | 118.9 | 53% | 0.532 | 75% | 0.749 | S | S | . | * | -124.2 | 177 | -127.1 | 39.8 | -29.5 | 0 | 0 | 0 | 119.4 | F970 A971 | F970-P1438 HydrophobicContact CB-CB 4.47Å; A971-P1438 WeakPolarHBondContact O-CA 3.33Å; A971-P1438 VanDerWaalsContact O-CB 3.23Å; A971-P1438 WeakPolarHBondContact O-CB 3.33Å | |||
| 1439 | V | 35.4 | Very low | 43.2 | Very low | 143 Ų | 143 | 119.3 Ų | 119.3 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | trans | 153.5 | 149.4 | 135.6 | 161.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 1440 | G | 49.2 | Very low | 43 | Very low | 66 Ų | 66 | 118.8 Ų | 118.8 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | trans | 159.3 | 115.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1441 | P | 42.9 | Very low | 43 | Very low | 120 Ų | 120 | 121.4 Ų | 121.4 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 165.1 | -174.7 | 33.9 | -35.8 | 0 | 0 | 0 | 115.1 | ||
| 1442 | P | 48.9 | Very low | 43.2 | Very low | 133 Ų | 133 | 117.7 Ų | 117.7 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 152.6 | 178.6 | -20.1 | 33.9 | 0 | 0 | 0 | 114.4 | ||
| 1443 | G | 48.6 | Very low | 43.6 | Very low | 67 Ų | 67 | 115 Ų | 115 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 169.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1444 | P | 52.9 | Low | 43.9 | Very low | 124 Ų | 124 | 115.1 Ų | 115.1 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 150.6 | -178.9 | 31.5 | -35.7 | 0 | 0 | 0 | 113.3 | ||
| 1445 | P | 45.4 | Very low | 43.8 | Very low | 128 Ų | 128 | 110 Ų | 110 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 155.2 | 166.1 | -21 | 34.2 | 0 | 0 | 0 | 112.8 | ||
| 1446 | G | 42.6 | Very low | 44.1 | Very low | 82 Ų | 82 | 112.3 Ų | 112.3 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 150.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 1447 | E | 42.7 | Very low | 44.1 | Very low | 191 Ų | 191 | 112.6 Ų | 112.6 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 156.1 | 174 | -61.5 | -176.2 | 134.1 | 0 | 0 | 112.4 | ||
| 1448 | P | 50 | Low | 44.2 | Very low | 129 Ų | 129 | 114.3 Ų | 114.3 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -106.1 | 125.3 | -168 | 11.3 | 11 | 0 | 0 | 0 | 114.7 | ||||
| 1449 | G | 44 | Very low | 44 | Very low | 75 Ų | 75 | 120.4 Ų | 120.4 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | 93.7 | 133.1 | 142.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1450 | S | 36.4 | Very low | 44.6 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | -166 | 167.2 | 147 | 37.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1451 | Q | 38.1 | Very low | 44.3 | Very low | 196 Ų | 196 | 125.2 Ų | 125.2 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 141.5 | -167 | -163.7 | 169 | -2 | 0 | 0 | 112.9 | ||
| 1452 | G | 43.8 | Very low | 44.2 | Very low | 62 Ų | 62 | 127.8 Ų | 127.8 | 64% | 0.639 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 173.2 | -164.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 1453 | P | 45 | Very low | 44.3 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 151 | 179.5 | 30.8 | -35.4 | 0 | 0 | 0 | 112.9 | ||
| 1454 | P | 47.2 | Very low | 44.5 | Very low | 124 Ų | 124 | 127 Ų | 127 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 157.8 | 179.7 | -24.1 | 34.9 | 0 | 0 | 0 | 115.1 | ||
| 1455 | G | 36.8 | Very low | 44.1 | Very low | 80 Ų | 80 | 127.1 Ų | 127.1 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 138.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1456 | L | 45.1 | Very low | 44.5 | Very low | 179 Ų | 179 | 127 Ų | 127 | 94% | 0.937 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 132.8 | 177.1 | -72.1 | 171.1 | 0 | 0 | 0 | 111.5 | ||
| 1457 | A | 48.6 | Very low | 44.8 | Very low | 91 Ų | 91 | 126.4 Ų | 126.4 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 145.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K1459 | A1457-K1459 PolarHBondContact O-N 3.39Š|
| 1458 | G | 39.6 | Very low | 44.7 | Very low | 80 Ų | 80 | 124.3 Ų | 124.3 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 118.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1460 | G1458-R1460 PolarHBondContact O-N 3.38Š|
| 1459 | K | 41.7 | Very low | 44.2 | Very low | 210 Ų | 210 | 129.1 Ų | 129.1 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | trans | -79.7 | 87.9 | 178.9 | -72.3 | -175.5 | 178.4 | 176.4 | 0 | 111.6 | A1457 | A1457-K1459 PolarHBondContact O-N 3.39Š| ||
| 1460 | R | 46.5 | Very low | 44.5 | Very low | 235 Ų | 235 | 128.5 Ų | 128.5 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | trans | 27.2 | 108.7 | 147.8 | -168.6 | -177 | -128.9 | 177.6 | 3.4 | 115.6 | G1458 L1462 | G1458-R1460 PolarHBondContact O-N 3.38Å; R1460-L1462 PolarHBondContact O-N 2.9Å | ||
| 1461 | G | 44.4 | Very low | 44.7 | Very low | 75 Ų | 75 | 127.3 Ų | 127.3 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 135 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1462 | L | 40.6 | Very low | 44.7 | Very low | 174 Ų | 174 | 129 Ų | 129 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 138 | 173.3 | -82.6 | 165 | 0 | 0 | 0 | 110.1 | R1460 | R1460-L1462 PolarHBondContact O-N 2.9Š|
| 1463 | T | 50.4 | Low | 45 | Very low | 133 Ų | 133 | 129 Ų | 129 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -51 | 137.4 | -175.6 | -30.5 | 0 | 0 | 0 | 0 | 112 | ||
| 1464 | G | 53 | Low | 44.8 | Very low | 49 Ų | 49 | 132.2 Ų | 132.2 | 51% | 0.505 | 81% | 0.807 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 159.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1465 | P | 45.1 | Very low | 44.5 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 133.7 | 177.9 | 24.1 | -33.8 | 0 | 0 | 0 | 109.8 | G1467 | P1465-G1467 PolarHBondContact O-N 2.76Š|
| 1466 | P | 53.3 | Low | 44.9 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 126.1 | 179.8 | -28.1 | 35.4 | 0 | 0 | 0 | 110.9 | V1468 | P1466-V1468 PolarHBondContact O-N 3.04Š|
| 1467 | G | 48.8 | Very low | 44.9 | Very low | 69 Ų | 69 | 129.8 Ų | 129.8 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 133.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | P1465 R1469 | P1465-G1467 PolarHBondContact O-N 2.76Å; G1467-R1469 PolarHBondContact O-N 3Å; G1467-R1469 VanDerWaalsContact O-N 3.12Å |
| 1468 | V | 40 | Very low | 44.6 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 122.6 | -176.1 | -172.8 | 0 | 0 | 0 | 0 | 108.9 | P1466 G1470 | P1466-V1468 PolarHBondContact O-N 3.04Å; V1468-G1470 PolarHBondContact O-N 2.8Å |
| 1469 | R | 40.9 | Very low | 44.7 | Very low | 230 Ų | 230 | 130.2 Ų | 130.2 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | -57.2 | 106.7 | -169.7 | -171.1 | -177.8 | -164.7 | 166.9 | 7.3 | 109.9 | G1467 A1471 | G1467-R1469 PolarHBondContact O-N 3Å; G1467-R1469 VanDerWaalsContact O-N 3.12Å; R1469-A1471 PolarHBondContact O-N 3.42Å | ||
| 1470 | G | 49.8 | Very low | 45.2 | Very low | 61 Ų | 61 | 128 Ų | 128 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | trans | -51.7 | 140.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110 | V1468 R1472 | V1468-G1470 PolarHBondContact O-N 2.8Å; G1470-R1472 PolarHBondContact O-N 3.27Å | ||
| 1471 | A | 40 | Very low | 45.3 | Very low | 103 Ų | 103 | 122.8 Ų | 122.8 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -52 | 137.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | R1469 G1473 | R1469-A1471 PolarHBondContact O-N 3.42Å; A1471-G1473 VanDerWaalsContact C-N 3.33Å; A1471-G1473 PolarHBondContact O-N 2.98Å | ||
| 1472 | R | 39.1 | Very low | 44.9 | Very low | 231 Ų | 231 | 122.6 Ų | 122.6 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -67.5 | 90.9 | -178.6 | -178.1 | -175.5 | 179.7 | 178.9 | -0.9 | 109.6 | G1470 | G1470-R1472 PolarHBondContact O-N 3.27Š| ||
| 1473 | G | 48.6 | Very low | 45.1 | Very low | 63 Ų | 63 | 125.9 Ų | 125.9 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | -56 | 143 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | A1471 | A1471-G1473 VanDerWaalsContact C-N 3.33Å; A1471-G1473 PolarHBondContact O-N 2.98Å | ||
| 1474 | E | 41.3 | Very low | 44.8 | Very low | 188 Ų | 188 | 125.8 Ų | 125.8 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -72.8 | 158.1 | -175 | -61.3 | -175.3 | 129.7 | 0 | 0 | 111.7 | G1476 | E1474-G1476 PolarHBondContact O-N 3.03Š| ||
| 1475 | A | 41.3 | Very low | 44.1 | Very low | 94 Ų | 94 | 126.6 Ų | 126.6 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -77.8 | 108 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1476 | G | 46 | Very low | 44.1 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -65.5 | 132.5 | 160 | 0 | 0 | 0 | 0 | 0 | 110.6 | E1474 | E1474-G1476 PolarHBondContact O-N 3.03Š| ||
| 1477 | L | 44.5 | Very low | 43.9 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -83.4 | 128.8 | -169.1 | -82.1 | 161.6 | 0 | 0 | 0 | 113.9 | ||||
| 1478 | S | 41.2 | Very low | 43.9 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | 49.4 | 116.4 | 146.8 | 60.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1479 | G | 42.7 | Very low | 44.2 | Very low | 75 Ų | 75 | 128.7 Ų | 128.7 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -120.8 | 130.4 | 141.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1480 | I | 50.9 | Low | 44.7 | Very low | 162 Ų | 162 | 127.6 Ų | 127.6 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | trans | -88.1 | 128.9 | -170.5 | -57.7 | 174.9 | 0 | 0 | 0 | 110.8 | ||||
| 1481 | P | 49.2 | Very low | 44.6 | Very low | 126 Ų | 126 | 128 Ų | 128 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -86.9 | 145.9 | 178.8 | -7.8 | 26.1 | 0 | 0 | 0 | 114.5 | ||||
| 1482 | G | 35.8 | Very low | 44.7 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | 149.5 | 143.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1483 | R | 46.3 | Very low | 44.9 | Very low | 243 Ų | 243 | 129.3 Ų | 129.3 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | cis | -141.3 | 148.8 | 4.4 | -60.2 | 176.2 | 173.9 | -176.2 | -2.9 | 110.8 | ||||
| 1484 | P | 42.5 | Very low | 45.1 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | trans | -74.7 | 154.6 | 149.8 | 34.5 | -32.4 | 0 | 0 | 0 | 109.6 | ||||
| 1485 | G | 39.3 | Very low | 45.5 | Very low | 66 Ų | 66 | 127.7 Ų | 127.7 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | cis | 168.9 | 147.7 | -5.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1486 | L | 45.2 | Very low | 46.3 | Very low | 177 Ų | 177 | 127.9 Ų | 127.9 | 93% | 0.927 | 81% | 0.812 | S | S | * | * | trans | -125.9 | 130.1 | -178 | -71.5 | 175.2 | 0 | 0 | 0 | 111.4 | ||||
| 1487 | P | 48.3 | Very low | 46.7 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -94.2 | 137.5 | -176 | -2.6 | 23 | 0 | 0 | 0 | 114.7 | ||||
| 1488 | G | 48.7 | Very low | 47.1 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | 82.8 | 158.9 | 168 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1489 | P | 45.8 | Very low | 48.4 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | cis | -107.9 | -178.3 | 21.1 | 40.1 | -34.4 | 0 | 0 | 0 | 115.1 | ||||
| 1490 | K | 52 | Low | 49.2 | Very low | 208 Ų | 208 | 131.1 Ų | 131.1 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -89 | 116.9 | -176 | -171.5 | 179.2 | -176.5 | -178.7 | 0 | 111.7 | ||||
| 1491 | G | 47.5 | Very low | 49.5 | Very low | 70 Ų | 70 | 133.2 Ų | 133.2 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -88.8 | 156.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1492 | L | 42.9 | Very low | 50 | Low | 183 Ų | 183 | 135.7 Ų | 135.7 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | trans | -87.7 | 174.6 | 175.3 | -80.1 | 163.3 | 0 | 0 | 0 | 112.2 | ||||
| 1493 | H | 42.2 | Very low | 51.2 | Low | 177 Ų | 177 | 135.1 Ų | 135.1 | 82% | 0.819 | 81% | 0.808 | S | S | * | * | trans | -60.2 | 140.8 | -172.5 | -151.6 | 72.9 | 0 | 0 | 0 | 112.7 | ||||
| 1494 | G | 52.8 | Low | 51.9 | Low | 60 Ų | 60 | 132.4 Ų | 132.4 | 62% | 0.619 | 81% | 0.808 | S | S | * | * | trans | -127.5 | 143.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1495 | D | 50.2 | Low | 53.2 | Low | 157 Ų | 157 | 131.8 Ų | 131.8 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -62.1 | 146 | -164.1 | -59.2 | -72.1 | 0 | 0 | 0 | 114.3 | G1497 | D1495-G1497 PolarHBondContact O-N 3.44Š| ||
| 1496 | A | 57.8 | Low | 54.5 | Low | 98 Ų | 98 | 132 Ų | 132 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -69.2 | 103.7 | -176 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1497 | G | 54.7 | Low | 55.7 | Low | 64 Ų | 64 | 131.5 Ų | 131.5 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 140 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D1495 | D1495-G1497 PolarHBondContact O-N 3.44Š|
| 1498 | Y | 54 | Low | 56.9 | Low | 232 Ų | 232 | 131.1 Ų | 131.1 | 91% | 0.91 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 126 | -177.5 | -69.1 | -82.3 | 0 | 0 | 0 | 111.9 | G1500 | Y1498-G1500 PolarHBondContact O-N 3.21Å; Y1498-G1500 VanDerWaalsContact O-N 3.11Å |
| 1499 | P | 67.5 | Low | 58 | Low | 122 Ų | 122 | 130.5 Ų | 130.5 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -55 | 120.5 | 172.4 | -26.5 | 35.2 | 0 | 0 | 0 | 110.3 | K1501 | P1499-K1501 PolarHBondContact O-N 2.98Š|
| 1500 | G | 60.3 | Low | 59.3 | Low | 69 Ų | 69 | 129.7 Ų | 129.7 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 135.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y1498 M1502 | Y1498-G1500 PolarHBondContact O-N 3.21Å; Y1498-G1500 VanDerWaalsContact O-N 3.11Å; G1500-M1502 PolarHBondContact O-N 3.25Å |
| 1501 | K | 57.3 | Low | 60.4 | Low | 207 Ų | 207 | 125.9 Ų | 125.9 | 90% | 0.9 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 119.8 | -179.4 | -72.9 | -176.6 | 177.8 | 179.9 | 0 | 109.2 | P1499 G1503 | P1499-K1501 PolarHBondContact O-N 2.98Å; K1501-G1503 PolarHBondContact O-N 3Å; K1501-G1503 VanDerWaalsContact O-N 3.11Å |
| 1502 | M | 58.1 | Low | 61.5 | Low | 177 Ų | 177 | 125.8 Ų | 125.8 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 121.4 | 175.9 | -171.6 | -176.2 | -61.5 | 0 | 0 | 108.2 | G1500 M1504 | G1500-M1502 PolarHBondContact O-N 3.25Å; M1502-M1504 PolarHBondContact O-N 3.4Å |
| 1503 | G | 61.5 | Low | 62.8 | Low | 61 Ų | 61 | 128 Ų | 128 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 135.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109 | K1501 | K1501-G1503 PolarHBondContact O-N 3Å; K1501-G1503 VanDerWaalsContact O-N 3.11Å |
| 1504 | M | 60.4 | Low | 64.2 | Low | 185 Ų | 185 | 125.4 Ų | 125.4 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 130.9 | 176.6 | -81 | -177.6 | 161.5 | 0 | 0 | 109 | M1502 G1506 | M1502-M1504 PolarHBondContact O-N 3.4Å; M1504-G1506 PolarHBondContact O-N 2.89Å; M1504-G1506 VanDerWaalsContact O-N 3.14Å |
| 1505 | P | 70.2 | Confident | 64.7 | Low | 117 Ų | 117 | 125.8 Ų | 125.8 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 126.2 | 172.3 | -27.6 | 35.2 | 0 | 0 | 0 | 109.1 | L1507 | P1505-L1507 PolarHBondContact O-N 2.76Š|
| 1506 | G | 67.8 | Low | 65.4 | Low | 70 Ų | 70 | 124.8 Ų | 124.8 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 133.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | M1504 | M1504-G1506 PolarHBondContact O-N 2.89Å; M1504-G1506 VanDerWaalsContact O-N 3.14Å |
| 1507 | L | 68.9 | Low | 65.4 | Low | 167 Ų | 167 | 125.6 Ų | 125.6 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 129.1 | 178.7 | -77.6 | 169 | 0 | 0 | 0 | 109.1 | P1505 G1509 | P1505-L1507 PolarHBondContact O-N 2.76Å; L1507-G1509 PolarHBondContact O-N 2.85Å; L1507-G1509 VanDerWaalsContact O-N 3.13Å |
| 1508 | P | 73.8 | Confident | 64.9 | Low | 121 Ų | 121 | 125.9 Ų | 125.9 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 126 | 177.2 | -29 | 35.3 | 0 | 0 | 0 | 109.5 | ||
| 1509 | G | 73 | Confident | 64.6 | Low | 60 Ų | 60 | 121.5 Ų | 121.5 | 62% | 0.619 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 137.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | L1507 | L1507-G1509 PolarHBondContact O-N 2.85Å; L1507-G1509 VanDerWaalsContact O-N 3.13Å |
| 1510 | P | 72.9 | Confident | 63.4 | Low | 119 Ų | 119 | 126.5 Ų | 126.5 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 135.2 | -177.7 | 22.9 | -33.6 | 0 | 0 | 0 | 108.8 | G1512 | P1510-G1512 PolarHBondContact O-N 2.87Å; P1510-G1512 VanDerWaalsContact O-N 3.11Å |
| 1511 | P | 75.5 | Confident | 62.7 | Low | 127 Ų | 127 | 125.8 Ų | 125.8 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -48 | 124.7 | -177.9 | -30 | 35.3 | 0 | 0 | 0 | 110.3 | Y1513 | P1511-Y1513 PolarHBondContact O-N 3.45Š|
| 1512 | G | 69.6 | Low | 62.4 | Low | 69 Ų | 69 | 127.4 Ų | 127.4 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 136.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | P1510 | P1510-G1512 PolarHBondContact O-N 2.87Å; P1510-G1512 VanDerWaalsContact O-N 3.11Å |
| 1513 | Y | 69.4 | Low | 62.1 | Low | 228 Ų | 228 | 124.7 Ų | 124.7 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 130.9 | 179.3 | -71.2 | -79.8 | 0 | 0 | 0 | 109.6 | P1511 G1515 | P1511-Y1513 PolarHBondContact O-N 3.45Å; Y1513-G1515 PolarHBondContact O-N 3.17Å; Y1513-G1515 VanDerWaalsContact O-N 3.13Å |
| 1514 | P | 71.6 | Confident | 61.8 | Low | 124 Ų | 124 | 122.9 Ų | 122.9 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 126.5 | 176 | -28.2 | 34.9 | 0 | 0 | 0 | 109.3 | V1516 | P1514-V1516 PolarHBondContact O-N 3.24Š|
| 1515 | G | 64.1 | Low | 61.7 | Low | 67 Ų | 67 | 119.3 Ų | 119.3 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 135.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y1513 P1517 | Y1513-G1515 PolarHBondContact O-N 3.17Å; Y1513-G1515 VanDerWaalsContact O-N 3.13Å; G1515-P1517 WeakPolarHBondContact O-CD 3.37Å; G1515-P1517 VanDerWaalsContact O-N 3.09Å |
| 1516 | V | 64.2 | Low | 61.4 | Low | 136 Ų | 136 | 116.6 Ų | 116.6 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 122.9 | 178 | -176.7 | 0 | 0 | 0 | 0 | 107.2 | P1514 G1518 | P1514-V1516 PolarHBondContact O-N 3.24Å; V1516-G1518 PolarHBondContact O-N 3.02Å; V1516-G1518 VanDerWaalsContact O-N 3.12Å |
| 1517 | P | 57.9 | Low | 61.7 | Low | 115 Ų | 115 | 120.4 Ų | 120.4 | 75% | 0.747 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 125.6 | -176.2 | -30.3 | 35.5 | 0 | 0 | 0 | 109.8 | G1515 V1519 | G1515-P1517 WeakPolarHBondContact O-CD 3.37Å; G1515-P1517 VanDerWaalsContact O-N 3.09Å; P1517-V1519 PolarHBondContact O-N 2.83Å |
| 1518 | G | 45.4 | Very low | 62.4 | Low | 70 Ų | 70 | 114.4 Ų | 114.4 | 72% | 0.722 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -49 | 131.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V1516 R1520 | V1516-G1518 PolarHBondContact O-N 3.02Å; V1516-G1518 VanDerWaalsContact O-N 3.12Å; G1518-R1520 PolarHBondContact O-N 3.42Å |
| 1519 | V | 47 | Very low | 63.3 | Low | 140 Ų | 140 | 112.1 Ų | 112.1 | 85% | 0.848 | 67% | 0.669 | S | S | * | * | trans | -51.4 | 112.6 | -179.6 | 177.8 | 0 | 0 | 0 | 0 | 107.2 | P1517 G1521 | P1517-V1519 PolarHBondContact O-N 2.83Å; V1519-G1521 WeakPolarHBondContact O-CA 3.23Å; V1519-G1521 PolarHBondContact O-N 3.16Å | ||
| 1520 | R | 42.6 | Very low | 64.3 | Low | 227 Ų | 227 | 113.5 Ų | 113.5 | 86% | 0.857 | 66% | 0.658 | S | S | * | * | trans | -41.5 | 113.3 | -167 | -173.1 | -177.6 | -169.3 | 179.2 | 3.5 | 109 | G1518 R1522 | G1518-R1520 PolarHBondContact O-N 3.42Å; R1520-R1522 PolarHBondContact O-N 2.94Å | ||
| 1521 | G | 44.8 | Very low | 65.4 | Low | 54 Ų | 54 | 107.9 Ų | 107.9 | 56% | 0.557 | 62% | 0.622 | S | S | * | * | trans | -45.6 | 136.4 | -160.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1519 L1523 | V1519-G1521 WeakPolarHBondContact O-CA 3.23Å; V1519-G1521 PolarHBondContact O-N 3.16Å; G1521-L1523 PolarHBondContact O-N 2.53Å | ||
| 1522 | R | 50.8 | Low | 66.5 | Low | 241 Ų | 241 | 101.9 Ų | 101.9 | 91% | 0.909 | 58% | 0.583 | S | S | * | * | trans | -48.4 | 136.2 | 173 | -75.3 | -172.5 | 173 | -151.7 | -1 | 107.8 | R1520 A1524 | R1520-R1522 PolarHBondContact O-N 2.94Å; R1522-A1524 PolarHBondContact O-N 3.22Å | ||
| 1523 | L | 52.4 | Low | 67.8 | Low | 121 Ų | 121 | 100.6 Ų | 100.6 | 63% | 0.634 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -41.5 | 121.1 | 176.8 | -79.1 | 163.8 | 0 | 0 | 0 | 108.9 | G1521 | G1521-L1523 PolarHBondContact O-N 2.53Š|
| 1524 | A | 56 | Low | 69.2 | Low | 23 Ų | 23 | 90.2 Ų | 90.2 | 19% | 0.19 | 52% | 0.516 | C | S | . | . | trans | -51.9 | 133.3 | -165.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | R1522 S1526 P1637 | R1522-A1524 PolarHBondContact O-N 3.22Å; A1524-S1526 PolarHBondContact O-N 2.78Å; A1524-P1637 HydrophobicContact CB-CB 4.1Å | ||
| 1525 | P | 58.8 | Low | 70.4 | Confident | 110 Ų | 110 | 85.6 Ų | 85.6 | 71% | 0.714 | 49% | 0.487 | S | S | * | . | trans | -54.6 | 138.6 | -174.2 | 22.8 | -33.7 | 0 | 0 | 0 | 110 | R1527 | P1525-R1527 PolarHBondContact O-N 3.13Š| ||
| 1526 | S | 63.8 | Low | 72 | Confident | 60 Ų | 60 | 82.4 Ų | 82.4 | 42% | 0.42 | 45% | 0.454 | S | S | . | . | trans | -45.7 | 125.5 | -168.2 | 178.3 | 0 | 0 | 0 | 0 | 112.4 | A1524 G1528 E1635 | A1524-S1526 PolarHBondContact O-N 2.78Å; S1526-G1528 VanDerWaalsContact C-N 3.33Å; S1526-G1528 PolarHBondContact OG-N 3.17Å; S1526-E1635 VanDerWaalsContact CB-CD 3.5Å; S1526-E1635 WeakPolarHBondContact CB-OE1 3.28Å; S1526-E1635 VanDerWaalsContact OG-CG 3.3Å; S1526-E1635 WeakPolarHBondContact OG-CG 3.4Å; S1526-E1635 PolarHBondContact OG-OE1 3.22Å | ||
| 1527 | R | 73.3 | Confident | 73.6 | Confident | 149 Ų | 149 | 77.7 Ų | 77.7 | 56% | 0.562 | 43% | 0.426 | S | S | * | . | trans | -95.6 | 14.7 | 178.5 | -64.6 | -170.1 | 174.2 | -171.1 | -1.4 | 112.6 | P1525 F1529 | P1525-R1527 PolarHBondContact O-N 3.13Å; R1527-F1529 VanDerWaalsContact C-N 3.29Å; R1527-F1529 HydrophobicContact CB-CD2 3.83Å; R1527-F1529 HydrophobicContact CB-CE2 3.74Å; R1527-F1529 PolarHBondContact O-N 2.78Å | ||
| 1528 | G | 83 | Confident | 75.5 | Confident | 42 Ų | 42 | 75.9 Ų | 75.9 | 43% | 0.433 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 72 | 19.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1526 F1530 | S1526-G1528 VanDerWaalsContact C-N 3.33Å; S1526-G1528 PolarHBondContact OG-N 3.17Å; G1528-F1530 WeakPolarHBondContact O-CD2 3.13Å; G1528-F1530 WeakPolarHBondContact O-CE2 3.15Å |
| 1529 | F | 92.6 | Very high | 77.9 | Confident | 73 Ų | 73 | 77.5 Ų | 77.5 | 32% | 0.32 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 140.4 | 166.5 | -60 | -66.5 | 0 | 0 | 0 | 109.3 | R1527 L1636 T1638 Q1639 | R1527-F1529 VanDerWaalsContact C-N 3.29Å; R1527-F1529 HydrophobicContact CB-CD2 3.83Å; R1527-F1529 HydrophobicContact CB-CE2 3.74Å; R1527-F1529 PolarHBondContact O-N 2.78Å; F1529-L1636 VanDerWaalsContact C-CD2 3.5Å; F1529-L1636 HydrophobicContact CB-CD2 3.94Å; F1529-L1636 HydrophobicContact CB-CG 3.9Å; F1529-L1636 WeakPolarHBondContact O-CD2 3.36Å; F1529-L1636 PolarHBondContact O-N 3.38Å; F1529-T1638 WeakPolarHBondContact CB-O 3.3Å; F1529-T1638 VanDerWaalsContact CD2-C 3.44Å; F1529-T1638 WeakPolarHBondContact CG-O 3.35Å; F1529-Q1639 HydrophobicContact CD1-CG 4.19Å; F1529-Q1639 HydrophobicContact CE1-CG 3.63Å; F1529-Q1639 HydrophobicContact CZ-CG 3.85Å |
| 1530 | F | 94.9 | Very high | 80.4 | Confident | 89 Ų | 89 | 73.8 Ų | 73.8 | 39% | 0.39 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 150 | 178.4 | -46.3 | -70 | 0 | 0 | 0 | 110 | G1528 L1550 P1573 V1633 C1634 E1635 | G1528-F1530 WeakPolarHBondContact O-CD2 3.13Å; G1528-F1530 WeakPolarHBondContact O-CE2 3.15Å; F1530-L1550 HydrophobicContact CD1-CD1 3.5Å; F1530-L1550 HydrophobicContact CE1-CD1 3.67Å; F1530-L1550 HydrophobicContact CG-CD1 4.45Å; F1530-P1573 HydrophobicContact CB-CG 3.81Å; F1530-V1633 HydrophobicContact CB-CG1 4.45Å; F1530-C1634 CarbonylContact C-O 3.57Å; F1530-C1634 VanDerWaalsContact CA-O 3.25Å; F1530-C1634 WeakPolarHBondContact CA-O 3.43Å; F1530-E1635 HydrophobicContact CD1-CB 3.91Å; F1530-E1635 HydrophobicContact CD1-CG 4.26Å; F1530-E1635 HydrophobicContact CE1-CB 4.08Å; F1530-E1635 HydrophobicContact CE1-CG 4.02Å |
| 1531 | F | 96.3 | Very high | 82.9 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 0% | 0.004 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 155.9 | 163 | 65 | -87 | 0 | 0 | 0 | 112.2 | R1533 P1544 T1547 G1571 V1633 C1634 L1636 I1640 W1661 P1684 | F1531-R1533 HydrophobicContact CD2-CB 4.35Å; F1531-R1533 HydrophobicContact CE2-CB 4.08Å; F1531-P1544 HydrophobicContact CE2-CG 4.43Å; F1531-P1544 HydrophobicContact CZ-CG 3.92Å; F1531-T1547 HydrophobicContact CE1-CG2 4.25Å; F1531-T1547 HydrophobicContact CZ-CG2 4.5Å; F1531-G1571 CarbonylContact C-O 3.52Å; F1531-G1571 WeakPolarHBondContact CA-O 3.48Å; F1531-G1571 VanDerWaalsContact CB-O 3.29Å; F1531-G1571 WeakPolarHBondContact CB-O 3.41Å; F1531-V1633 WeakPolarHBondContact O-CA 3.31Å; F1531-C1634 HydrophobicContact CD1-CB 4.48Å; F1531-C1634 HydrophobicContact CE1-CB 3.91Å; F1531-C1634 HydrophobicContact CE2-CB 4.11Å; F1531-C1634 HydrophobicContact CZ-CB 3.7Å; F1531-C1634 PolarHBondContact N-O 3.04Å; F1531-C1634 PolarHBondContact O-N 3.38Å; F1531-L1636 HydrophobicContact CD1-CD1 3.86Å; F1531-L1636 HydrophobicContact CD1-CD2 3.42Å; F1531-L1636 VanDerWaalsContact CD1-CD2 3.42Å; F1531-L1636 HydrophobicContact CD1-CG 4.25Å; F1531-L1636 HydrophobicContact CE1-CB 4.49Å; F1531-L1636 HydrophobicContact CE1-CD1 3.88Å; F1531-L1636 HydrophobicContact CE1-CD2 3.76Å; F1531-L1636 HydrophobicContact CE1-CG 4.28Å; F1531-I1640 HydrophobicContact CB-CG2 4.07Å; F1531-I1640 HydrophobicContact CD1-CD1 3.58Å; F1531-I1640 HydrophobicContact CD1-CG2 3.85Å; F1531-I1640 HydrophobicContact CD2-CD1 4.25Å; F1531-I1640 HydrophobicContact CE1-CD1 3.59Å; F1531-I1640 HydrophobicContact CE2-CD1 4.25Å; F1531-I1640 HydrophobicContact CG-CD1 3.94Å; F1531-I1640 HydrophobicContact CG-CG2 4.21Å; F1531-I1640 HydrophobicContact CZ-CD1 3.94Å; F1531-W1661 AromaticContact CD2-CH2 3.86Å; F1531-W1661 HydrophobicContact CD2-CH2 3.86Å; F1531-W1661 HydrophobicContact CD2-CZ3 4.09Å; F1531-W1661 AromaticContact CE2-CH2 3.83Å; F1531-W1661 HydrophobicContact CE2-CH2 3.83Å; F1531-W1661 AromaticContact CE2-CZ3 3.58Å; F1531-W1661 HydrophobicContact CE2-CZ3 3.58Å; F1531-W1661 HydrophobicContact CZ-CZ3 4.26Å; F1531-P1684 HydrophobicContact CB-CG 4.42Å |
| 1532 | A | 97.7 | Very high | 85.4 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.008 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 142 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | G1571 L1572 S1575 C1576 V1632 V1633 | A1532-G1571 PolarHBondContact N-O 2.04Å; A1532-L1572 WeakPolarHBondContact CB-O 3.3Å; A1532-S1575 WeakPolarHBondContact CB-OG 3.5Å; A1532-C1576 HydrophobicContact CB-CB 4.27Å; A1532-V1632 WeakPolarHBondContact CA-O 3.27Å; A1532-V1633 HydrophobicContact CB-CG2 4.37Å |
| 1533 | R | 97.8 | Very high | 87.5 | Confident | 41 Ų | 41 | 58.8 Ų | 58.8 | 16% | 0.155 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 135 | 169.5 | -175 | -178.4 | -178.4 | -174.5 | 8.8 | 109 | F1531 P1541 Q1542 C1631 V1632 W1661 E1689 | F1531-R1533 HydrophobicContact CD2-CB 4.35Å; F1531-R1533 HydrophobicContact CE2-CB 4.08Å; R1533-P1541 HydrophobicContact CG-CB 4.29Å; R1533-P1541 VanDerWaalsContact O-CG 3.23Å; R1533-P1541 WeakPolarHBondContact O-CG 3.42Å; R1533-Q1542 PolarHBondContact NH1-O 3.35Å; R1533-C1631 CarbonylContact O-C 3.53Å; R1533-C1631 WeakPolarHBondContact O-CA 3.18Å; R1533-C1631 VanDerWaalsContact O-CB 3.26Å; R1533-C1631 WeakPolarHBondContact O-CB 3.39Å; R1533-V1632 HydrophobicContact CB-CG1 4.09Å; R1533-V1632 PolarHBondContact N-O 3.4Å; R1533-V1632 PolarHBondContact O-N 2.86Å; R1533-W1661 HydrophobicContact CB-CH2 4.36Å; R1533-W1661 HydrophobicContact CG-CH2 4.23Å; R1533-W1661 HydrophobicContact CG-CZ3 4.26Å; R1533-E1689 IonicContact CZ-OE1 3.93Å; R1533-E1689 VanDerWaalsContact CZ-OE1 3.27Å; R1533-E1689 IonicContact CZ-OE2 3.92Å; R1533-E1689 IonicContact NE-OE1 2.81Å; R1533-E1689 PolarHBondContact NE-OE1 2.91Å; R1533-E1689 IonicContact NH2-OE1 2.67Å; R1533-E1689 PolarHBondContact NH2-OE1 2.04Å; R1533-E1689 IonicContact NH2-OE2 3.13Å; R1533-E1689 PolarHBondContact NH2-OE2 3.49Å |
| 1534 | H | 98 | Very high | 89.3 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 5% | 0.051 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 130.1 | -174.4 | -61.1 | -88.9 | 0 | 0 | 0 | 110.6 | S1555 L1570 S1575 L1606 C1631 | H1534-S1555 WeakPolarHBondContact ND1-CB 3.14Å; H1534-S1555 PolarHBondContact ND1-OG 2.83Å; H1534-L1570 PolarHBondContact CD2-O 3Å; H1534-L1570 PolarHBondContact NE2-O 2.88Å; H1534-S1575 PolarHBondContact CE1-OG 2.79Å; H1534-S1575 PolarHBondContact NE2-OG 2.72Å; H1534-S1575 VanDerWaalsContact NE2-OG 3.16Å; H1534-L1606 HydrophobicContact CB-CD1 3.74Å; H1534-C1631 WeakPolarHBondContact ND1-CB 3.15Å |
| 1535 | S | 97.2 | Very high | 90.8 | Very high | 26 Ų | 26 | 58.3 Ų | 58.3 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | trans | -79.8 | -23.6 | -178 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | T1537 D1539 R1630 | S1535-T1537 PolarHBondContact O-N 3.19Å; S1535-T1537 PolarHBondContact OG-N 3.11Å; S1535-T1537 PolarHBondContact OG-O 3.21Å; S1535-T1537 VanDerWaalsContact OG-O 3.1Å; S1535-T1537 PolarHBondContact OG-OG1 2.86Å; S1535-D1539 WeakPolarHBondContact CB-O 3.36Å; S1535-D1539 PolarHBondContact OG-O 3.02Å; S1535-R1630 PolarHBondContact N-O 2.73Å; S1535-R1630 PolarHBondContact OG-O 3.5Å | ||
| 1536 | Q | 97.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 54.8 | 28.9 | -166.8 | -50.3 | 174.3 | -102 | 0 | 0 | 111.9 | T1608 S1629 L1688 D1690 R1692 | Q1536-T1608 WeakPolarHBondContact O-CA 3.44Å; Q1536-S1629 VanDerWaalsContact CA-OG 3.23Å; Q1536-S1629 WeakPolarHBondContact CA-OG 3.48Å; Q1536-S1629 PolarHBondContact N-OG 3.41Å; Q1536-L1688 HydrophobicContact CG-CD2 4.42Å; Q1536-D1690 PolarHBondContact NE2-O 3.44Å; Q1536-D1690 PolarHBondContact OE1-O 3.25Å; Q1536-R1692 VanDerWaalsContact CB-NH2 3.3Å; Q1536-R1692 PolarHBondContact O-NH1 2.7Å; Q1536-R1692 PolarHBondContact O-NH2 2.76Å |
| 1537 | T | 97.7 | Very high | 93.1 | Very high | 38 Ų | 38 | 52.6 Ų | 52.6 | 23% | 0.233 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -141.9 | 176.5 | 173.8 | 74.5 | 0 | 0 | 0 | 0 | 110.8 | S1535 D1539 T1608 S1629 R1630 | S1535-T1537 PolarHBondContact O-N 3.19Å; S1535-T1537 PolarHBondContact OG-N 3.11Å; S1535-T1537 PolarHBondContact OG-O 3.21Å; S1535-T1537 VanDerWaalsContact OG-O 3.1Å; S1535-T1537 PolarHBondContact OG-OG1 2.86Å; T1537-D1539 PolarHBondContact O-N 3.28Å; T1537-D1539 PolarHBondContact OG1-N 3.09Å; T1537-D1539 VanDerWaalsContact OG1-N 3.12Å; T1537-D1539 PolarHBondContact OG1-OD2 3.43Å; T1537-T1608 VanDerWaalsContact C-CG2 3.44Å; T1537-S1629 WeakPolarHBondContact O-CA 3.44Å; T1537-R1630 PolarHBondContact O-N 2.86Å |
| 1538 | T | 97.5 | Very high | 93.9 | Very high | 77 Ų | 77 | 48 Ų | 48 | 47% | 0.472 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -70.2 | -10.7 | 171.5 | 44.3 | 0 | 0 | 0 | 0 | 114 | T1608 P1626 R1630 | T1538-T1608 HydrophobicContact CG2-CG2 4.25Å; T1538-P1626 WeakPolarHBondContact CG2-O 3.21Å; T1538-R1630 WeakPolarHBondContact O-CG 3.26Å |
| 1539 | D | 97.5 | Very high | 94.5 | Very high | 104 Ų | 104 | 51.6 Ų | 51.6 | 56% | 0.556 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -93.4 | 141.7 | -174.4 | -43.3 | -62.2 | 0 | 0 | 0 | 110.4 | S1535 T1537 P1541 R1630 | S1535-D1539 WeakPolarHBondContact CB-O 3.36Å; S1535-D1539 PolarHBondContact OG-O 3.02Å; T1537-D1539 PolarHBondContact O-N 3.28Å; T1537-D1539 PolarHBondContact OG1-N 3.09Å; T1537-D1539 VanDerWaalsContact OG1-N 3.12Å; T1537-D1539 PolarHBondContact OG1-OD2 3.43Å; D1539-P1541 WeakPolarHBondContact O-CD 3.38Å; D1539-R1630 WeakPolarHBondContact O-CB 3.06Å |
| 1540 | V | 98 | Very high | 94.6 | Very high | 61 Ų | 61 | 51.6 Ų | 51.6 | 37% | 0.37 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 123.4 | 176.9 | 172.7 | 0 | 0 | 0 | 0 | 109.5 | V1552 R1630 V1632 | V1540-V1552 HydrophobicContact CG1-CB 4.06Å; V1540-V1552 HydrophobicContact CG1-CG1 3.5Å; V1540-V1552 HydrophobicContact CG2-CB 4.3Å; V1540-V1552 HydrophobicContact CG2-CG1 4.5Å; V1540-R1630 HydrophobicContact CG2-CB 4.33Å; V1540-R1630 HydrophobicContact CG2-CG 4.4Å; V1540-V1632 HydrophobicContact CG1-CB 4.48Å |
| 1541 | P | 96.7 | Very high | 94.8 | Very high | 13 Ų | 13 | 51 Ų | 51 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 145.3 | 175.5 | 26.2 | -29.2 | 0 | 0 | 0 | 110.7 | R1533 D1539 V1632 | R1533-P1541 HydrophobicContact CG-CB 4.29Å; R1533-P1541 VanDerWaalsContact O-CG 3.23Å; R1533-P1541 WeakPolarHBondContact O-CG 3.42Å; D1539-P1541 WeakPolarHBondContact O-CD 3.38Å; P1541-V1632 HydrophobicContact CB-CG1 4.47Å; P1541-V1632 HydrophobicContact CG-CB 4.32Å; P1541-V1632 HydrophobicContact CG-CG1 4.02Å; P1541-V1632 WeakPolarHBondContact O-CB 3.11Å; P1541-V1632 VanDerWaalsContact O-CG1 3.23Å; P1541-V1632 WeakPolarHBondContact O-CG1 3.46Å |
| 1542 | Q | 96 | Very high | 94.9 | Very high | 165 Ų | 165 | 53.2 Ų | 53.2 | 77% | 0.771 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -83.3 | 143.7 | 179 | -68.1 | -177.3 | -11.2 | 0 | 0 | 111.9 | R1533 | R1533-Q1542 PolarHBondContact NH1-O 3.35Š|
| 1543 | C | 95.6 | Very high | 94.9 | Very high | 29 Ų | 29 | 53.1 Ų | 53.1 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 133.5 | 169.7 | -77 | 0 | 0 | 0 | 0 | 111 | T1547 V1632 C1634 | C1543-T1547 WeakPolarHBondContact CB-OG1 3.3Å; C1543-V1632 VanDerWaalsContact SG-CG2 3.58Å; C1543-C1634 WeakPolarHBondContact CA-SG 3.29Å; C1543-C1634 HydrophobicContact CB-CB 3.99Å; C1543-C1634 WeakPolarHBondContact CB-SG 3.28Å; C1543-C1634 WeakPolarHBondContact SG-CB 3.43Å; C1543-C1634 CovalentContact SG-SG 2.04Å; C1543-C1634 PolarHBondContact SG-SG 2.91Å |
| 1544 | P | 90.6 | Very high | 94.9 | Very high | 17 Ų | 17 | 53.5 Ų | 53.5 | 11% | 0.11 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 156.2 | 177.6 | -26 | 35 | 0 | 0 | 0 | 114.5 | F1531 G1546 T1547 V1660 | F1531-P1544 HydrophobicContact CE2-CG 4.43Å; F1531-P1544 HydrophobicContact CZ-CG 3.92Å; P1544-G1546 PolarHBondContact O-N 2.98Å; P1544-T1547 HydrophobicContact CB-CG2 4.4Å; P1544-T1547 WeakPolarHBondContact CD-OG1 3.36Å; P1544-T1547 WeakPolarHBondContact O-CB 3.12Å; P1544-T1547 PolarHBondContact O-N 3.12Å; P1544-T1547 PolarHBondContact O-OG1 3.01Å; P1544-V1660 HydrophobicContact CB-CG1 3.5Å; P1544-V1660 HydrophobicContact CG-CG1 3.28Å |
| 1545 | S | 85.8 | Confident | 94.9 | Very high | 118 Ų | 118 | 53 Ų | 53 | 83% | 0.825 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 127.7 | 176.1 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1546 | G | 81.6 | Confident | 95 | Very high | 27 Ų | 27 | 52.3 Ų | 52.3 | 28% | 0.278 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 6.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115 | P1544 P1637 | P1544-G1546 PolarHBondContact O-N 2.98Å; G1546-P1637 WeakPolarHBondContact O-CD 3.25Å |
| 1547 | T | 89.9 | Confident | 95 | Very high | 23 Ų | 23 | 52.3 Ų | 52.3 | 14% | 0.141 | 29% | 0.294 | C | S | . | . | trans | -123.3 | 148 | 177.3 | 72.5 | 0 | 0 | 0 | 0 | 111.3 | F1531 C1543 P1544 E1635 L1636 M1749 | F1531-T1547 HydrophobicContact CE1-CG2 4.25Å; F1531-T1547 HydrophobicContact CZ-CG2 4.5Å; C1543-T1547 WeakPolarHBondContact CB-OG1 3.3Å; P1544-T1547 HydrophobicContact CB-CG2 4.4Å; P1544-T1547 WeakPolarHBondContact CD-OG1 3.36Å; P1544-T1547 WeakPolarHBondContact O-CB 3.12Å; P1544-T1547 PolarHBondContact O-N 3.12Å; P1544-T1547 PolarHBondContact O-OG1 3.01Å; T1547-E1635 CarbonylContact C-O 3.49Å; T1547-E1635 WeakPolarHBondContact CA-O 3.43Å; T1547-E1635 WeakPolarHBondContact CB-O 3.46Å; T1547-L1636 HydrophobicContact CG2-CB 3.7Å; T1547-M1749 HydrophobicContact CG2-SD 4.01Å | ||
| 1548 | S | 91 | Very high | 95 | Very high | 52 Ų | 52 | 50.5 Ų | 50.5 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 137.7 | 179.1 | 20.2 | 0 | 0 | 0 | 0 | 111 | C1634 E1635 | S1548-C1634 CarbonylContact O-C 3.55Å; S1548-C1634 VanDerWaalsContact O-CA 3.24Å; S1548-C1634 WeakPolarHBondContact O-CA 3.49Å; S1548-E1635 PolarHBondContact N-O 3.34Å; S1548-E1635 PolarHBondContact O-N 3.09Å; S1548-E1635 WeakPolarHBondContact OG-CB 3.14Å; S1548-E1635 PolarHBondContact OG-O 3.03Å; S1548-E1635 PolarHBondContact OG-OE2 3.19Å |
| 1549 | Q | 95 | Very high | 94.9 | Very high | 117 Ų | 117 | 49 Ų | 49 | 55% | 0.547 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 128.9 | 171 | 176.5 | 179.7 | -71.4 | 0 | 0 | 110.5 | V1632 | Q1549-V1632 HydrophobicContact CB-CG2 4.41Å; Q1549-V1632 HydrophobicContact CG-CG2 3.64Å |
| 1550 | L | 95.1 | Very high | 94.7 | Very high | 73 Ų | 73 | 44.3 Ų | 44.3 | 38% | 0.382 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -58 | 170.5 | -60.7 | -175.3 | 0 | 0 | 0 | 112 | F1530 V1633 E1635 | F1530-L1550 HydrophobicContact CD1-CD1 3.5Å; F1530-L1550 HydrophobicContact CE1-CD1 3.67Å; F1530-L1550 HydrophobicContact CG-CD1 4.45Å; L1550-V1633 HydrophobicContact CD1-CG1 4.35Å; L1550-V1633 PolarHBondContact N-O 3.38Å; L1550-E1635 HydrophobicContact CD1-CB 4.08Å; L1550-E1635 HydrophobicContact CD2-CB 3.92Å; L1550-E1635 HydrophobicContact CG-CB 3.9Å |
| 1551 | W | 97.7 | Very high | 94.4 | Very high | 76 Ų | 76 | 42.5 Ų | 42.5 | 29% | 0.288 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 170.3 | 175.5 | 72.3 | 88.4 | 0 | 0 | 0 | 112.7 | P1573 C1576 Q1578 V1632 V1633 | W1551-P1573 HydrophobicContact CH2-CB 3.72Å; W1551-P1573 HydrophobicContact CZ2-CB 3.81Å; W1551-C1576 PolarHBondContact NE1-O 3.17Å; W1551-Q1578 HydrophobicContact CB-CG 4.49Å; W1551-Q1578 HydrophobicContact CG-CG 4.09Å; W1551-V1632 WeakPolarHBondContact O-CA 3.27Å; W1551-V1632 WeakPolarHBondContact O-CG2 3.22Å; W1551-V1633 HydrophobicContact CD2-CB 4Å; W1551-V1633 HydrophobicContact CD2-CG2 4.13Å; W1551-V1633 HydrophobicContact CE3-CB 4.2Å; W1551-V1633 HydrophobicContact CE3-CG1 4.39Å; W1551-V1633 HydrophobicContact CH2-CB 4.23Å; W1551-V1633 HydrophobicContact CH2-CG1 3.95Å; W1551-V1633 HydrophobicContact CH2-CG2 4.19Å; W1551-V1633 HydrophobicContact CZ2-CB 4.05Å; W1551-V1633 HydrophobicContact CZ2-CG1 4.2Å; W1551-V1633 HydrophobicContact CZ2-CG2 3.57Å; W1551-V1633 HydrophobicContact CZ3-CB 4.29Å; W1551-V1633 HydrophobicContact CZ3-CG1 4.04Å; W1551-V1633 PolarHBondContact O-N 3.4Å |
| 1552 | V | 98.4 | Very high | 94 | Very high | 48 Ų | 48 | 47.5 Ų | 47.5 | 29% | 0.291 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 143.4 | 179.6 | -61.2 | 0 | 0 | 0 | 0 | 109.8 | V1540 C1631 V1632 | V1540-V1552 HydrophobicContact CG1-CB 4.06Å; V1540-V1552 HydrophobicContact CG1-CG1 3.5Å; V1540-V1552 HydrophobicContact CG2-CB 4.3Å; V1540-V1552 HydrophobicContact CG2-CG1 4.5Å; V1552-C1631 WeakPolarHBondContact CA-O 3.43Å; V1552-V1632 HydrophobicContact CG1-CG2 4.04Å |
| 1553 | G | 98.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | -169.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1577 R1630 C1631 | G1553-L1577 CarbonylContact C-O 3.56Å; G1553-L1577 VanDerWaalsContact CA-O 3.24Å; G1553-L1577 WeakPolarHBondContact CA-O 3.33Å; G1553-R1630 CarbonylContact O-C 3.41Å; G1553-R1630 WeakPolarHBondContact O-CA 3.39Å; G1553-R1630 PolarHBondContact O-NE 3.47Å; G1553-R1630 PolarHBondContact O-NH1 3.44Å; G1553-C1631 PolarHBondContact N-O 3.31Å; G1553-C1631 PolarHBondContact O-N 3.4Å; G1553-C1631 PolarHBondContact O-SG 3.35Å; G1553-C1631 VanDerWaalsContact O-SG 3.38Å |
| 1554 | Y | 98.6 | Very high | 93.3 | Very high | 49 Ų | 49 | 47.9 Ų | 47.9 | 19% | 0.192 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 146.1 | 173.8 | -59.1 | -87.7 | 0 | 0 | 0 | 109.5 | L1556 L1577 F1580 I1628 R1630 C1631 | Y1554-L1556 PolarHBondContact O-N 2.66Å; Y1554-L1556 VanDerWaalsContact O-N 3.17Å; Y1554-L1577 PolarHBondContact N-O 3.48Å; Y1554-L1577 PolarHBondContact O-N 3.32Å; Y1554-L1577 VanDerWaalsContact O-N 3.13Å; Y1554-F1580 HydrophobicContact CD1-CB 4.03Å; Y1554-F1580 HydrophobicContact CD2-CB 3.59Å; Y1554-F1580 HydrophobicContact CE1-CB 4.23Å; Y1554-F1580 HydrophobicContact CE2-CB 3.8Å; Y1554-F1580 HydrophobicContact CG-CB 3.69Å; Y1554-I1628 HydrophobicContact CD1-CB 4.35Å; Y1554-I1628 HydrophobicContact CD1-CG2 3.78Å; Y1554-I1628 HydrophobicContact CG-CG2 4.32Å; Y1554-R1630 VanDerWaalsContact CE1-NH1 3.3Å; Y1554-C1631 VanDerWaalsContact C-SG 3.58Å |
| 1555 | S | 98.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 87.1 | -166.2 | -53.9 | 0 | 0 | 0 | 0 | 112.1 | H1534 S1575 W1605 L1606 S1629 R1630 | H1534-S1555 WeakPolarHBondContact ND1-CB 3.14Å; H1534-S1555 PolarHBondContact ND1-OG 2.83Å; S1555-S1575 CarbonylContact C-O 2.81Å; S1555-S1575 WeakPolarHBondContact CA-O 3.47Å; S1555-W1605 CarbonylContact O-C 3.47Å; S1555-W1605 WeakPolarHBondContact O-CA 3.33Å; S1555-L1606 PolarHBondContact O-N 3.27Å; S1555-S1629 VanDerWaalsContact CB-O 3.3Å; S1555-S1629 WeakPolarHBondContact CB-O 3.42Å; S1555-S1629 PolarHBondContact N-O 3.21Å; S1555-S1629 VanDerWaalsContact OG-C 3.28Å; S1555-S1629 WeakPolarHBondContact OG-CB 3.48Å; S1555-S1629 PolarHBondContact OG-O 3.04Å; S1555-S1629 PolarHBondContact OG-OG 2.95Å; S1555-R1630 PolarHBondContact OG-O 3.49Å; S1555-R1630 VanDerWaalsContact OG-O 3.13Å |
| 1556 | L | 98.3 | Very high | 93.8 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 130.4 | 171 | 179.3 | 67.5 | 0 | 0 | 0 | 109.6 | Y1554 I1559 Q1568 S1575 L1577 W1605 | Y1554-L1556 PolarHBondContact O-N 2.66Å; Y1554-L1556 VanDerWaalsContact O-N 3.17Å; L1556-I1559 HydrophobicContact CD1-CG2 4.01Å; L1556-I1559 HydrophobicContact CD2-CG2 4.27Å; L1556-Q1568 HydrophobicContact CD2-CG 4.03Å; L1556-S1575 PolarHBondContact N-O 3.17Å; L1556-S1575 WeakPolarHBondContact O-CA 3.25Å; L1556-S1575 WeakPolarHBondContact O-CB 3.39Å; L1556-L1577 HydrophobicContact CB-CD1 4.33Å; L1556-L1577 HydrophobicContact CB-CG 4.25Å; L1556-L1577 HydrophobicContact CD2-CD1 3.75Å; L1556-L1577 HydrophobicContact CD2-CG 4.16Å; L1556-W1605 HydrophobicContact CB-CE3 4.14Å; L1556-W1605 HydrophobicContact CB-CH2 4.31Å; L1556-W1605 HydrophobicContact CB-CZ3 3.93Å; L1556-W1605 HydrophobicContact CD1-CD2 4.35Å; L1556-W1605 HydrophobicContact CD1-CH2 4.37Å; L1556-W1605 HydrophobicContact CD1-CZ2 4.1Å |
| 1557 | L | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -55.6 | 175.7 | -175.9 | 67.5 | 0 | 0 | 0 | 110.8 | Q1568 L1570 Y1604 L1606 F1666 H1669 F1696 | L1557-Q1568 PolarHBondContact O-N 2.82Å; L1557-L1570 HydrophobicContact CD1-CD1 3.73Å; L1557-L1570 HydrophobicContact CD1-CD2 3.88Å; L1557-L1570 HydrophobicContact CD1-CG 3.93Å; L1557-Y1604 WeakPolarHBondContact CB-O 3.33Å; L1557-Y1604 PolarHBondContact N-O 2.99Å; L1557-L1606 HydrophobicContact CD1-CD2 4.24Å; L1557-F1666 HydrophobicContact CD1-CE1 4.11Å; L1557-F1666 HydrophobicContact CD1-CZ 4.46Å; L1557-H1669 VanDerWaalsContact CG-CE1 3.48Å; L1557-H1669 WeakPolarHBondContact CG-CE1 3.34Å; L1557-F1696 HydrophobicContact CD2-CB 3.57Å; L1557-F1696 HydrophobicContact CD2-CD1 3.99Å; L1557-F1696 HydrophobicContact CD2-CD2 4.33Å; L1557-F1696 HydrophobicContact CD2-CG 3.71Å |
| 1558 | Y | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 162.7 | 173 | 72.3 | -74.7 | 0 | 0 | 0 | 112.2 | A1566 Y1604 H1669 A1671 E1675 | Y1558-A1566 WeakPolarHBondContact CA-O 3.42Å; Y1558-A1566 WeakPolarHBondContact CB-O 3.27Å; Y1558-Y1604 AromaticContact CD1-CD2 3.66Å; Y1558-Y1604 HydrophobicContact CD1-CD2 3.66Å; Y1558-Y1604 AromaticContact CD1-CG 3.64Å; Y1558-Y1604 HydrophobicContact CD1-CG 3.64Å; Y1558-Y1604 AromaticContact CD2-CD2 3.54Å; Y1558-Y1604 HydrophobicContact CD2-CD2 3.54Å; Y1558-Y1604 AromaticContact CD2-CE2 3.87Å; Y1558-Y1604 HydrophobicContact CD2-CE2 3.87Å; Y1558-Y1604 HydrophobicContact CD2-CG 4.36Å; Y1558-Y1604 AromaticContact CE1-CD1 3.74Å; Y1558-Y1604 HydrophobicContact CE1-CD1 3.74Å; Y1558-Y1604 AromaticContact CE1-CD2 3.38Å; Y1558-Y1604 HydrophobicContact CE1-CD2 3.38Å; Y1558-Y1604 HydrophobicContact CE1-CE1 4.3Å; Y1558-Y1604 HydrophobicContact CE1-CE2 4Å; Y1558-Y1604 AromaticContact CE1-CG 3.21Å; Y1558-Y1604 HydrophobicContact CE1-CG 3.21Å; Y1558-Y1604 AromaticContact CE2-CD2 3.29Å; Y1558-Y1604 HydrophobicContact CE2-CD2 3.29Å; Y1558-Y1604 AromaticContact CE2-CE2 3.24Å; Y1558-Y1604 HydrophobicContact CE2-CE2 3.24Å; Y1558-Y1604 HydrophobicContact CE2-CG 4.04Å; Y1558-Y1604 AromaticContact CE2-CZ 3.94Å; Y1558-Y1604 AromaticContact CG-CD2 3.74Å; Y1558-Y1604 HydrophobicContact CG-CD2 3.74Å; Y1558-Y1604 HydrophobicContact CG-CG 4.21Å; Y1558-Y1604 AromaticContact CZ-CD1 3.84Å; Y1558-Y1604 AromaticContact CZ-CD2 3.24Å; Y1558-Y1604 AromaticContact CZ-CE1 3.92Å; Y1558-Y1604 AromaticContact CZ-CE2 3.35Å; Y1558-Y1604 AromaticContact CZ-CG 3.48Å; Y1558-Y1604 VanDerWaalsContact CZ-CG 3.48Å; Y1558-Y1604 AromaticContact CZ-CZ 3.67Å; Y1558-Y1604 PolarHBondContact N-O 2.89Å; Y1558-Y1604 PolarHBondContact O-N 2.95Å; Y1558-H1669 AromaticContact CD1-CD2 3.46Å; Y1558-H1669 VanDerWaalsContact CD1-CD2 3.46Å; Y1558-H1669 WeakPolarHBondContact CD1-CD2 3.46Å; Y1558-H1669 AromaticContact CD1-NE2 3.1Å; Y1558-H1669 WeakPolarHBondContact CD1-NE2 3.26Å; Y1558-H1669 AromaticContact CE1-CD2 3.19Å; Y1558-H1669 WeakPolarHBondContact CE1-CD2 3.43Å; Y1558-H1669 AromaticContact CE1-NE2 3.41Å; Y1558-H1669 WeakPolarHBondContact CE1-NE2 3.39Å; Y1558-H1669 AromaticContact CG-NE2 3.79Å; Y1558-H1669 AromaticContact CZ-CD2 3.93Å; Y1558-A1671 WeakPolarHBondContact OH-CB 2.9Å; Y1558-A1671 PolarHBondContact OH-N 2.9Å; Y1558-E1675 PolarHBondContact OH-O 3.4Å |
| 1559 | I | 95.6 | Very high | 95 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 23% | 0.231 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 155.9 | 167.6 | 67 | 173.7 | 0 | 0 | 0 | 109.5 | L1556 S1565 A1566 F1585 T1603 | L1556-I1559 HydrophobicContact CD1-CG2 4.01Å; L1556-I1559 HydrophobicContact CD2-CG2 4.27Å; I1559-S1565 CarbonylContact O-C 3.6Å; I1559-S1565 WeakPolarHBondContact O-CA 3.37Å; I1559-A1566 HydrophobicContact CG1-CB 4.01Å; I1559-A1566 PolarHBondContact N-O 3.48Å; I1559-A1566 PolarHBondContact O-N 3.06Å; I1559-F1585 HydrophobicContact CB-CD1 3.97Å; I1559-F1585 HydrophobicContact CB-CE1 3.68Å; I1559-F1585 HydrophobicContact CB-CZ 4.4Å; I1559-F1585 HydrophobicContact CD1-CD1 3.93Å; I1559-F1585 HydrophobicContact CD1-CE1 4.19Å; I1559-F1585 HydrophobicContact CD1-CG 4.1Å; I1559-F1585 HydrophobicContact CG1-CE1 4.4Å; I1559-F1585 HydrophobicContact CG2-CD1 3.96Å; I1559-F1585 HydrophobicContact CG2-CE1 4.09Å; I1559-T1603 HydrophobicContact CB-CG2 4.17Å; I1559-T1603 HydrophobicContact CG2-CG2 3.68Å |
| 1560 | Q | 94.5 | Very high | 95.1 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 108.1 | 173.8 | -175.7 | 179.7 | 8.2 | 0 | 0 | 109.6 | G1563 K1564 Y1602 Y1604 A1672 | Q1560-G1563 PolarHBondContact NE2-O 3.07Å; Q1560-K1564 CarbonylContact C-O 3.29Å; Q1560-K1564 VanDerWaalsContact CA-O 3.24Å; Q1560-K1564 WeakPolarHBondContact CA-O 3.35Å; Q1560-Y1602 HydrophobicContact CB-CD2 4.37Å; Q1560-Y1602 HydrophobicContact CG-CD2 4.31Å; Q1560-Y1602 PolarHBondContact N-O 3.38Å; Q1560-Y1602 PolarHBondContact O-N 2.87Å; Q1560-Y1604 HydrophobicContact CB-CE2 3.94Å; Q1560-Y1604 PolarHBondContact OE1-OH 3.37Å; Q1560-A1672 PolarHBondContact NE2-O 3.25Å |
| 1561 | G | 91.1 | Very high | 95.2 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 24% | 0.237 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G1563 K1564 D1601 | G1561-G1563 PolarHBondContact O-N 3.26Å; G1561-G1563 VanDerWaalsContact O-N 3.14Å; G1561-K1564 PolarHBondContact N-O 2.96Å; G1561-K1564 PolarHBondContact O-N 3.41Å; G1561-D1601 WeakPolarHBondContact CA-OD1 3.24Å |
| 1562 | D | 87.8 | Confident | 95.2 | Very high | 118 Ų | 118 | 39 Ų | 39 | 63% | 0.631 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 36.3 | -176.1 | -154.4 | 52.3 | 0 | 0 | 0 | 112.1 | K1564 R1599 D1601 | D1562-K1564 VanDerWaalsContact C-N 3.33Å; D1562-K1564 PolarHBondContact O-N 3.04Å; D1562-R1599 IonicContact OD1-CZ 2.72Å; D1562-R1599 IonicContact OD1-NH1 3.69Å; D1562-R1599 PolarHBondContact OD1-NH1 3.29Å; D1562-D1601 PolarHBondContact N-OD1 3.31Å |
| 1563 | G | 86.2 | Confident | 95.1 | Very high | 44 Ų | 44 | 38.2 Ų | 38.2 | 45% | 0.454 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | -18.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q1560 G1561 E1675 | Q1560-G1563 PolarHBondContact NE2-O 3.07Å; G1561-G1563 PolarHBondContact O-N 3.26Å; G1561-G1563 VanDerWaalsContact O-N 3.14Å; G1563-E1675 WeakPolarHBondContact O-CG 3.26Å |
| 1564 | K | 90.8 | Very high | 95.1 | Very high | 158 Ų | 158 | 39.6 Ų | 39.6 | 69% | 0.687 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 134.5 | -174.6 | -67.2 | 176.4 | -179.3 | 169.8 | 0 | 113.1 | Q1560 G1561 D1562 | Q1560-K1564 CarbonylContact C-O 3.29Å; Q1560-K1564 VanDerWaalsContact CA-O 3.24Å; Q1560-K1564 WeakPolarHBondContact CA-O 3.35Å; G1561-K1564 PolarHBondContact N-O 2.96Å; G1561-K1564 PolarHBondContact O-N 3.41Å; D1562-K1564 VanDerWaalsContact C-N 3.33Å; D1562-K1564 PolarHBondContact O-N 3.04Å |
| 1565 | S | 92.8 | Very high | 95 | Very high | 32 Ų | 32 | 37.3 Ų | 37.3 | 22% | 0.224 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 142.4 | 173.3 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | I1559 E1675 G1676 | I1559-S1565 CarbonylContact O-C 3.6Å; I1559-S1565 WeakPolarHBondContact O-CA 3.37Å; S1565-E1675 WeakPolarHBondContact CB-OE2 3.49Å; S1565-E1675 PolarHBondContact N-OE2 3.1Å; S1565-E1675 PolarHBondContact OG-OE2 3.01Å; S1565-G1676 PolarHBondContact OG-N 3.18Å |
| 1566 | A | 94.6 | Very high | 95 | Very high | 53 Ų | 53 | 37.4 Ų | 37.4 | 44% | 0.438 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 114.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y1558 I1559 | Y1558-A1566 WeakPolarHBondContact CA-O 3.42Å; Y1558-A1566 WeakPolarHBondContact CB-O 3.27Å; I1559-A1566 HydrophobicContact CG1-CB 4.01Å; I1559-A1566 PolarHBondContact N-O 3.48Å; I1559-A1566 PolarHBondContact O-N 3.06Å |
| 1567 | G | 94.2 | Very high | 95 | Very high | 25 Ų | 25 | 39.5 Ų | 39.5 | 26% | 0.258 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 164.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | T1677 | G1567-T1677 WeakPolarHBondContact CA-OG1 3.09Å |
| 1568 | Q | 96 | Very high | 95.1 | Very high | 77 Ų | 77 | 45.7 Ų | 45.7 | 36% | 0.36 | 27% | 0.27 | S | S | . | . | trans | -119.3 | 141.6 | 161.5 | -63.8 | -63.9 | -76.3 | 0 | 0 | 108.8 | L1556 L1557 G1574 Q1679 | L1556-Q1568 HydrophobicContact CD2-CG 4.03Å; L1557-Q1568 PolarHBondContact O-N 2.82Å; Q1568-G1574 VanDerWaalsContact OE1-CA 3.29Å; Q1568-Q1679 PolarHBondContact O-NE2 3.19Å; Q1568-Q1679 VanDerWaalsContact O-NE2 3.16Å | ||
| 1569 | D | 97.7 | Very high | 95.1 | Very high | 26 Ų | 26 | 56 Ų | 56 | 14% | 0.139 | 31% | 0.308 | C | S | . | . | trans | -78.2 | 127.6 | 170.5 | -167.8 | -68.1 | 0 | 0 | 0 | 109.2 | G1571 L1572 S1575 D1680 S1683 | D1569-G1571 PolarHBondContact O-N 3.15Å; D1569-G1571 PolarHBondContact OD1-N 2.88Å; D1569-L1572 HydrophobicContact CB-CB 4.37Å; D1569-L1572 HydrophobicContact CB-CD1 4.05Å; D1569-L1572 HydrophobicContact CB-CG 4.07Å; D1569-L1572 PolarHBondContact O-N 2.93Å; D1569-S1575 WeakPolarHBondContact O-CB 3.42Å; D1569-S1575 PolarHBondContact O-OG 3.07Å; D1569-D1680 PolarHBondContact OD2-N 2.91Å; D1569-S1683 VanDerWaalsContact OD1-CB 3.29Å; D1569-S1683 WeakPolarHBondContact OD1-CB 3.31Å; D1569-S1683 PolarHBondContact OD1-OG 3.01Å | ||
| 1570 | L | 98.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -7.3 | -176.6 | -61.5 | 167.3 | 0 | 0 | 0 | 113 | H1534 L1557 L1606 F1666 G1685 L1688 | H1534-L1570 PolarHBondContact CD2-O 3Å; H1534-L1570 PolarHBondContact NE2-O 2.88Å; L1557-L1570 HydrophobicContact CD1-CD1 3.73Å; L1557-L1570 HydrophobicContact CD1-CD2 3.88Å; L1557-L1570 HydrophobicContact CD1-CG 3.93Å; L1570-L1606 HydrophobicContact CD1-CD1 3.93Å; L1570-L1606 HydrophobicContact CD1-CD2 4.16Å; L1570-L1606 HydrophobicContact CD1-CG 4.35Å; L1570-L1606 HydrophobicContact CD2-CD1 3.69Å; L1570-L1606 HydrophobicContact CD2-CG 3.99Å; L1570-L1606 HydrophobicContact CG-CD1 4.41Å; L1570-F1666 HydrophobicContact CD1-CD1 4.09Å; L1570-F1666 HydrophobicContact CD1-CE1 3.86Å; L1570-G1685 VanDerWaalsContact C-CA 3.48Å; L1570-L1688 HydrophobicContact CD1-CD2 4.16Å |
| 1571 | G | 97 | Very high | 95.2 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -16.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1531 A1532 D1569 S1683 | F1531-G1571 CarbonylContact C-O 3.52Å; F1531-G1571 WeakPolarHBondContact CA-O 3.48Å; F1531-G1571 VanDerWaalsContact CB-O 3.29Å; F1531-G1571 WeakPolarHBondContact CB-O 3.41Å; A1532-G1571 PolarHBondContact N-O 2.04Å; D1569-G1571 PolarHBondContact O-N 3.15Å; D1569-G1571 PolarHBondContact OD1-N 2.88Å; G1571-S1683 WeakPolarHBondContact CA-OG 3.38Å |
| 1572 | L | 96.8 | Very high | 95.5 | Very high | 99 Ų | 99 | 58.1 Ų | 58.1 | 52% | 0.518 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -99.6 | 148.5 | -177.2 | -63.5 | -178.3 | 0 | 0 | 0 | 112.4 | A1532 D1569 G1574 S1575 | A1532-L1572 WeakPolarHBondContact CB-O 3.3Å; D1569-L1572 HydrophobicContact CB-CB 4.37Å; D1569-L1572 HydrophobicContact CB-CD1 4.05Å; D1569-L1572 HydrophobicContact CB-CG 4.07Å; D1569-L1572 PolarHBondContact O-N 2.93Å; L1572-G1574 PolarHBondContact O-N 3.16Å; L1572-S1575 PolarHBondContact O-N 3.34Å; L1572-S1575 PolarHBondContact O-OG 2.93Å |
| 1573 | P | 97.2 | Very high | 95.9 | Very high | 33 Ų | 33 | 53 Ų | 53 | 21% | 0.214 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -56.2 | -25 | -175.5 | -28.5 | 35.7 | 0 | 0 | 0 | 116.6 | F1530 W1551 S1575 C1576 V1633 | F1530-P1573 HydrophobicContact CB-CG 3.81Å; W1551-P1573 HydrophobicContact CH2-CB 3.72Å; W1551-P1573 HydrophobicContact CZ2-CB 3.81Å; P1573-S1575 PolarHBondContact O-N 3.08Å; P1573-C1576 PolarHBondContact O-N 3.29Å; P1573-V1633 HydrophobicContact CB-CG1 3.93Å; P1573-V1633 HydrophobicContact CB-CG2 4.09Å; P1573-V1633 HydrophobicContact CG-CG1 3.87Å |
| 1574 | G | 96.5 | Very high | 96.3 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -66.1 | -21.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q1568 L1572 C1576 | Q1568-G1574 VanDerWaalsContact OE1-CA 3.29Å; L1572-G1574 PolarHBondContact O-N 3.16Å; G1574-C1576 PolarHBondContact O-N 3.23Å |
| 1575 | S | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -70.7 | -11.1 | 169.7 | 63 | 0 | 0 | 0 | 0 | 113.9 | A1532 H1534 S1555 L1556 D1569 L1572 P1573 | A1532-S1575 WeakPolarHBondContact CB-OG 3.5Å; H1534-S1575 PolarHBondContact CE1-OG 2.79Å; H1534-S1575 PolarHBondContact NE2-OG 2.72Å; H1534-S1575 VanDerWaalsContact NE2-OG 3.16Å; S1555-S1575 CarbonylContact C-O 2.81Å; S1555-S1575 WeakPolarHBondContact CA-O 3.47Å; L1556-S1575 PolarHBondContact N-O 3.17Å; L1556-S1575 WeakPolarHBondContact O-CA 3.25Å; L1556-S1575 WeakPolarHBondContact O-CB 3.39Å; D1569-S1575 WeakPolarHBondContact O-CB 3.42Å; D1569-S1575 PolarHBondContact O-OG 3.07Å; L1572-S1575 PolarHBondContact O-N 3.34Å; L1572-S1575 PolarHBondContact O-OG 2.93Å; P1573-S1575 PolarHBondContact O-N 3.08Å |
| 1576 | C | 98.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 73.1 | -172.2 | -166 | 0 | 0 | 0 | 0 | 112.9 | A1532 W1551 P1573 G1574 C1631 V1633 | A1532-C1576 HydrophobicContact CB-CB 4.27Å; W1551-C1576 PolarHBondContact NE1-O 3.17Å; P1573-C1576 PolarHBondContact O-N 3.29Å; G1574-C1576 PolarHBondContact O-N 3.23Å; C1576-C1631 WeakPolarHBondContact CA-SG 3.14Å; C1576-C1631 HydrophobicContact CB-CB 3.94Å; C1576-C1631 WeakPolarHBondContact CB-SG 3.15Å; C1576-C1631 VanDerWaalsContact SG-C 3.52Å; C1576-C1631 WeakPolarHBondContact SG-CB 3.46Å; C1576-C1631 CovalentContact SG-SG 2.04Å; C1576-C1631 PolarHBondContact SG-SG 3.31Å; C1576-V1633 HydrophobicContact CB-CG2 3.59Å |
| 1577 | L | 98.3 | Very high | 96.2 | Very high | 57 Ų | 57 | 50.7 Ų | 50.7 | 30% | 0.298 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 127.9 | -179.6 | -64.7 | -171.6 | 0 | 0 | 0 | 111.8 | G1553 Y1554 L1556 R1579 P1584 W1605 | G1553-L1577 CarbonylContact C-O 3.56Å; G1553-L1577 VanDerWaalsContact CA-O 3.24Å; G1553-L1577 WeakPolarHBondContact CA-O 3.33Å; Y1554-L1577 PolarHBondContact N-O 3.48Å; Y1554-L1577 PolarHBondContact O-N 3.32Å; Y1554-L1577 VanDerWaalsContact O-N 3.13Å; L1556-L1577 HydrophobicContact CB-CD1 4.33Å; L1556-L1577 HydrophobicContact CB-CG 4.25Å; L1556-L1577 HydrophobicContact CD2-CD1 3.75Å; L1556-L1577 HydrophobicContact CD2-CG 4.16Å; L1577-R1579 PolarHBondContact O-N 3.18Å; L1577-P1584 HydrophobicContact CD1-CB 4.28Å; L1577-W1605 HydrophobicContact CB-CH2 4.35Å; L1577-W1605 HydrophobicContact CB-CZ3 4.42Å; L1577-W1605 HydrophobicContact CD1-CH2 3.98Å |
| 1578 | Q | 97.6 | Very high | 96.1 | Very high | 130 Ų | 130 | 53.1 Ų | 53.1 | 61% | 0.607 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -58.9 | -32.9 | -179.7 | -66.1 | 179.7 | 5.5 | 0 | 0 | 113.2 | W1551 | W1551-Q1578 HydrophobicContact CB-CG 4.49Å; W1551-Q1578 HydrophobicContact CG-CG 4.09Å |
| 1579 | R | 97 | Very high | 95.8 | Very high | 215 Ų | 215 | 52.5 Ų | 52.5 | 81% | 0.811 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -115.1 | 133.4 | 178.5 | -63.9 | -175.8 | 178.4 | -166.6 | -2.4 | 110.3 | L1577 | L1577-R1579 PolarHBondContact O-N 3.18Š|
| 1580 | F | 97.5 | Very high | 95.6 | Very high | 55 Ų | 55 | 59.6 Ų | 59.6 | 24% | 0.241 | 31% | 0.314 | C | S | . | . | trans | -81.2 | 142.3 | 167.9 | 173.6 | -102.1 | 0 | 0 | 0 | 109.8 | Y1554 T1582 W1605 V1624 I1628 | Y1554-F1580 HydrophobicContact CD1-CB 4.03Å; Y1554-F1580 HydrophobicContact CD2-CB 3.59Å; Y1554-F1580 HydrophobicContact CE1-CB 4.23Å; Y1554-F1580 HydrophobicContact CE2-CB 3.8Å; Y1554-F1580 HydrophobicContact CG-CB 3.69Å; F1580-T1582 HydrophobicContact CE1-CG2 4.08Å; F1580-T1582 HydrophobicContact CZ-CG2 3.94Å; F1580-W1605 AromaticContact CD2-CD2 3.71Å; F1580-W1605 HydrophobicContact CD2-CD2 3.71Å; F1580-W1605 AromaticContact CD2-CE2 3.65Å; F1580-W1605 AromaticContact CD2-CE3 3.88Å; F1580-W1605 HydrophobicContact CD2-CE3 3.88Å; F1580-W1605 HydrophobicContact CD2-CG 4.34Å; F1580-W1605 AromaticContact CD2-CH2 3.98Å; F1580-W1605 HydrophobicContact CD2-CH2 3.98Å; F1580-W1605 AromaticContact CD2-CZ2 3.8Å; F1580-W1605 HydrophobicContact CD2-CZ2 3.8Å; F1580-W1605 HydrophobicContact CD2-CZ3 4.02Å; F1580-W1605 AromaticContact CE2-CD1 3.79Å; F1580-W1605 AromaticContact CE2-CD2 3.7Å; F1580-W1605 HydrophobicContact CE2-CD2 3.7Å; F1580-W1605 AromaticContact CE2-CE2 3.55Å; F1580-W1605 HydrophobicContact CE2-CE3 4.32Å; F1580-W1605 AromaticContact CE2-CG 3.88Å; F1580-W1605 HydrophobicContact CE2-CG 3.88Å; F1580-W1605 HydrophobicContact CE2-CZ2 4.08Å; F1580-W1605 AromaticContact CE2-NE1 3.6Å; F1580-V1624 HydrophobicContact CE1-CG1 3.82Å; F1580-V1624 HydrophobicContact CZ-CG1 3.63Å; F1580-I1628 HydrophobicContact CD2-CD1 4.29Å; F1580-I1628 HydrophobicContact CD2-CG1 4Å; F1580-I1628 HydrophobicContact CD2-CG2 3.95Å; F1580-I1628 HydrophobicContact CE2-CD1 3.57Å; F1580-I1628 HydrophobicContact CE2-CG1 3.7Å; F1580-I1628 HydrophobicContact CE2-CG2 4.28Å; F1580-I1628 HydrophobicContact CZ-CD1 3.92Å; F1580-I1628 HydrophobicContact CZ-CG1 4Å | ||
| 1581 | S | 96.2 | Very high | 95.4 | Very high | 43 Ų | 43 | 65 Ų | 65 | 30% | 0.301 | 34% | 0.343 | S | S | . | . | trans | -149.8 | 146.6 | 161.3 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | M1583 W1605 | S1581-M1583 WeakPolarHBondContact CB-O 3.3Å; S1581-M1583 PolarHBondContact O-N 2.86Å; S1581-M1583 PolarHBondContact OG-N 2.93Å; S1581-M1583 PolarHBondContact OG-O 2.91Å; S1581-W1605 WeakPolarHBondContact O-CZ2 3.43Å | ||
| 1582 | T | 96.5 | Very high | 95.1 | Very high | 22 Ų | 22 | 72.1 Ų | 72.1 | 14% | 0.135 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -64.7 | -20.1 | 167.3 | 52.2 | 0 | 0 | 0 | 0 | 112 | F1580 T1603 C1699 H1700 | F1580-T1582 HydrophobicContact CE1-CG2 4.08Å; F1580-T1582 HydrophobicContact CZ-CG2 3.94Å; T1582-T1603 PolarHBondContact O-OG1 3.32Å; T1582-C1699 HydrophobicContact CG2-CB 4.18Å; T1582-H1700 WeakPolarHBondContact CB-O 3.07Å |
| 1583 | M | 95.3 | Very high | 95 | Very high | 11 Ų | 11 | 72.4 Ų | 72.4 | 5% | 0.054 | 38% | 0.379 | C | S | . | . | trans | -139.6 | 93.2 | 171.7 | -169.2 | 49.2 | 55.7 | 0 | 0 | 110.5 | S1581 F1585 A1597 D1601 | S1581-M1583 WeakPolarHBondContact CB-O 3.3Å; S1581-M1583 PolarHBondContact O-N 2.86Å; S1581-M1583 PolarHBondContact OG-N 2.93Å; S1581-M1583 PolarHBondContact OG-O 2.91Å; M1583-F1585 HydrophobicContact CE-CE1 4.07Å; M1583-F1585 HydrophobicContact CE-CZ 4.3Å; M1583-F1585 WeakPolarHBondContact CG-O 3.08Å; M1583-F1585 HydrophobicContact SD-CD1 3.62Å; M1583-F1585 HydrophobicContact SD-CD2 4.35Å; M1583-F1585 HydrophobicContact SD-CE1 3.43Å; M1583-F1585 WeakPolarHBondContact SD-CE1 3.37Å; M1583-F1585 HydrophobicContact SD-CE2 4.2Å; M1583-F1585 HydrophobicContact SD-CG 4.09Å; M1583-F1585 HydrophobicContact SD-CZ 3.77Å; M1583-A1597 HydrophobicContact CB-CB 4.38Å; M1583-A1597 HydrophobicContact CG-CB 4.25Å; M1583-D1601 VanDerWaalsContact CE-C 3.49Å; M1583-D1601 HydrophobicContact CE-CB 3.66Å; M1583-D1601 VanDerWaalsContact CE-O 3.25Å; M1583-D1601 WeakPolarHBondContact CE-O 3.4Å; M1583-D1601 HydrophobicContact SD-CB 4.35Å | ||
| 1584 | P | 94.7 | Very high | 94.8 | Very high | 52 Ų | 52 | 73.8 Ų | 73.8 | 34% | 0.338 | 39% | 0.389 | S | S | . | . | trans | -92.3 | 6.1 | 179.9 | 38 | -35.2 | 0 | 0 | 0 | 113.3 | L1577 T1603 W1605 | L1577-P1584 HydrophobicContact CD1-CB 4.28Å; P1584-T1603 HydrophobicContact CG-CG2 3.8Å; P1584-W1605 HydrophobicContact CG-CZ2 4.2Å | ||
| 1585 | F | 94.1 | Very high | 94.4 | Very high | 43 Ų | 43 | 75.5 Ų | 75.5 | 19% | 0.189 | 39% | 0.391 | C | S | . | . | trans | -135 | 168.8 | -179.9 | 72.5 | -87.3 | 0 | 0 | 0 | 111.6 | I1559 M1583 D1601 T1603 | I1559-F1585 HydrophobicContact CB-CD1 3.97Å; I1559-F1585 HydrophobicContact CB-CE1 3.68Å; I1559-F1585 HydrophobicContact CB-CZ 4.4Å; I1559-F1585 HydrophobicContact CD1-CD1 3.93Å; I1559-F1585 HydrophobicContact CD1-CE1 4.19Å; I1559-F1585 HydrophobicContact CD1-CG 4.1Å; I1559-F1585 HydrophobicContact CG1-CE1 4.4Å; I1559-F1585 HydrophobicContact CG2-CD1 3.96Å; I1559-F1585 HydrophobicContact CG2-CE1 4.09Å; M1583-F1585 HydrophobicContact CE-CE1 4.07Å; M1583-F1585 HydrophobicContact CE-CZ 4.3Å; M1583-F1585 WeakPolarHBondContact CG-O 3.08Å; M1583-F1585 HydrophobicContact SD-CD1 3.62Å; M1583-F1585 HydrophobicContact SD-CD2 4.35Å; M1583-F1585 HydrophobicContact SD-CE1 3.43Å; M1583-F1585 WeakPolarHBondContact SD-CE1 3.37Å; M1583-F1585 HydrophobicContact SD-CE2 4.2Å; M1583-F1585 HydrophobicContact SD-CG 4.09Å; M1583-F1585 HydrophobicContact SD-CZ 3.77Å; F1585-D1601 HydrophobicContact CE2-CB 4.38Å; F1585-D1601 HydrophobicContact CZ-CB 3.89Å; F1585-T1603 HydrophobicContact CD1-CG2 4.09Å; F1585-T1603 HydrophobicContact CE1-CG2 3.79Å | ||
| 1586 | M | 92.5 | Very high | 94 | Very high | 97 Ų | 97 | 80.7 Ų | 80.7 | 48% | 0.478 | 42% | 0.418 | S | S | . | . | trans | -145.1 | 117.6 | 179.9 | 53.8 | -169.4 | -74.5 | 0 | 0 | 110.4 | C1594 N1595 I1596 | M1586-C1594 HydrophobicContact CE-CB 3.47Å; M1586-C1594 VanDerWaalsContact CE-CB 3.47Å; M1586-N1595 WeakPolarHBondContact CA-O 3.28Å; M1586-N1595 VanDerWaalsContact CB-O 3.31Å; M1586-N1595 WeakPolarHBondContact CB-O 3.33Å; M1586-I1596 HydrophobicContact CB-CB 4Å; M1586-I1596 HydrophobicContact CB-CG1 4.27Å | ||
| 1587 | P | 90 | Very high | 93.6 | Very high | 45 Ų | 45 | 82.8 Ų | 82.8 | 29% | 0.292 | 44% | 0.435 | S | S | . | . | trans | -72.2 | 137.5 | 170.7 | 27.4 | -34.8 | 0 | 0 | 0 | 112 | N1595 | P1587-N1595 VanDerWaalsContact CD-O 3.24Å; P1587-N1595 WeakPolarHBondContact CD-O 3.17Å; P1587-N1595 PolarHBondContact O-N 3.33Å | ||
| 1588 | C | 92.3 | Very high | 93.1 | Very high | 76 Ų | 76 | 83.8 Ų | 83.8 | 51% | 0.514 | 45% | 0.447 | S | S | . | . | B | Isolated β-bridge | trans | -112.9 | 145 | 169.8 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | E1593 C1594 | C1588-E1593 WeakPolarHBondContact CA-O 3.22Å; C1588-C1594 HydrophobicContact CB-CB 4.05Å; C1588-C1594 WeakPolarHBondContact CB-SG 3.49Å; C1588-C1594 WeakPolarHBondContact SG-CB 3.45Å; C1588-C1594 CovalentContact SG-SG 2.04Å; C1588-C1594 PolarHBondContact SG-SG 3.48Å |
| 1589 | N | 89.9 | Confident | 92.5 | Very high | 65 Ų | 65 | 83.4 Ų | 83.4 | 35% | 0.348 | 44% | 0.44 | S | S | . | . | trans | -96.3 | 175.3 | 176.5 | 74.8 | 11.1 | 0 | 0 | 0 | 112.1 | N1591 N1592 E1593 | N1589-N1591 PolarHBondContact O-N 3.05Å; N1589-N1591 WeakPolarHBondContact OD1-CA 3.41Å; N1589-N1591 VanDerWaalsContact OD1-CB 3.3Å; N1589-N1591 WeakPolarHBondContact OD1-CB 3.41Å; N1589-N1591 PolarHBondContact OD1-N 3.21Å; N1589-N1592 PolarHBondContact O-N 3.3Å; N1589-N1592 PolarHBondContact OD1-N 3.14Å; N1589-E1593 PolarHBondContact N-O 3.17Å; N1589-E1593 PolarHBondContact ND2-OE2 3.21Å; N1589-E1593 WeakPolarHBondContact OD1-CB 3.29Å; N1589-E1593 PolarHBondContact OD1-N 3.07Å; N1589-E1593 PolarHBondContact OD1-O 3.42Å | ||
| 1590 | L | 93.3 | Very high | 92.1 | Very high | 174 Ų | 174 | 79.5 Ų | 79.5 | 91% | 0.911 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -8.8 | 179 | -63.8 | 174.6 | 0 | 0 | 0 | 114.1 | N1592 | L1590-N1592 VanDerWaalsContact C-N 3.26Š|
| 1591 | N | 94.2 | Very high | 91.9 | Very high | 115 Ų | 115 | 77.3 Ų | 77.3 | 62% | 0.615 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 1.9 | 175.3 | -53.1 | -17 | 0 | 0 | 0 | 112.1 | N1589 E1593 | N1589-N1591 PolarHBondContact O-N 3.05Å; N1589-N1591 WeakPolarHBondContact OD1-CA 3.41Å; N1589-N1591 VanDerWaalsContact OD1-CB 3.3Å; N1589-N1591 WeakPolarHBondContact OD1-CB 3.41Å; N1589-N1591 PolarHBondContact OD1-N 3.21Å; N1591-E1593 VanDerWaalsContact C-N 3.3Å; N1591-E1593 HydrophobicContact CB-CG 4.01Å; N1591-E1593 WeakPolarHBondContact CB-OE2 2.99Å; N1591-E1593 PolarHBondContact ND2-OE2 3.31Å |
| 1592 | N | 91.4 | Very high | 91.8 | Very high | 151 Ų | 151 | 77.9 Ų | 77.9 | 81% | 0.807 | 42% | 0.422 | S | S | * | . | S | Bend | trans | 67.8 | 21 | -168.7 | -49.2 | -73.2 | 0 | 0 | 0 | 114.5 | N1589 L1590 | N1589-N1592 PolarHBondContact O-N 3.3Å; N1589-N1592 PolarHBondContact OD1-N 3.14Å; L1590-N1592 VanDerWaalsContact C-N 3.26Å |
| 1593 | E | 93.2 | Very high | 91.8 | Very high | 105 Ų | 105 | 76.8 Ų | 76.8 | 49% | 0.491 | 42% | 0.416 | S | S | . | . | trans | -93 | 123.1 | 173.9 | -53 | 166.2 | 116.8 | 0 | 0 | 109.6 | C1588 N1589 N1591 | C1588-E1593 WeakPolarHBondContact CA-O 3.22Å; N1589-E1593 PolarHBondContact N-O 3.17Å; N1589-E1593 PolarHBondContact ND2-OE2 3.21Å; N1589-E1593 WeakPolarHBondContact OD1-CB 3.29Å; N1589-E1593 PolarHBondContact OD1-N 3.07Å; N1589-E1593 PolarHBondContact OD1-O 3.42Å; N1591-E1593 VanDerWaalsContact C-N 3.3Å; N1591-E1593 HydrophobicContact CB-CG 4.01Å; N1591-E1593 WeakPolarHBondContact CB-OE2 2.99Å; N1591-E1593 PolarHBondContact ND2-OE2 3.31Å | ||
| 1594 | C | 93.1 | Very high | 91.9 | Very high | 63 Ų | 63 | 76.3 Ų | 76.3 | 43% | 0.426 | 41% | 0.413 | S | S | . | . | B | Isolated β-bridge | trans | -108.1 | 136 | 178.2 | -60 | 0 | 0 | 0 | 0 | 111.6 | M1586 C1588 | M1586-C1594 HydrophobicContact CE-CB 3.47Å; M1586-C1594 VanDerWaalsContact CE-CB 3.47Å; C1588-C1594 HydrophobicContact CB-CB 4.05Å; C1588-C1594 WeakPolarHBondContact CB-SG 3.49Å; C1588-C1594 WeakPolarHBondContact SG-CB 3.45Å; C1588-C1594 CovalentContact SG-SG 2.04Å; C1588-C1594 PolarHBondContact SG-SG 3.48Å |
| 1595 | N | 89.4 | Confident | 92.1 | Very high | 65 Ų | 65 | 73.8 Ų | 73.8 | 35% | 0.348 | 40% | 0.397 | S | S | . | . | trans | -113.9 | 132.5 | 179.2 | -78.1 | -89.7 | 0 | 0 | 0 | 110 | M1586 P1587 S1598 | M1586-N1595 WeakPolarHBondContact CA-O 3.28Å; M1586-N1595 VanDerWaalsContact CB-O 3.31Å; M1586-N1595 WeakPolarHBondContact CB-O 3.33Å; P1587-N1595 VanDerWaalsContact CD-O 3.24Å; P1587-N1595 WeakPolarHBondContact CD-O 3.17Å; P1587-N1595 PolarHBondContact O-N 3.33Å; N1595-S1598 WeakPolarHBondContact OD1-CB 3.44Å; N1595-S1598 PolarHBondContact OD1-OG 3.08Å | ||
| 1596 | I | 88.9 | Confident | 92.2 | Very high | 108 Ų | 108 | 71.8 Ų | 71.8 | 55% | 0.554 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -123.4 | 120 | 176.3 | -173.1 | 169.8 | 0 | 0 | 0 | 108.7 | M1586 S1598 | M1586-I1596 HydrophobicContact CB-CB 4Å; M1586-I1596 HydrophobicContact CB-CG1 4.27Å; I1596-S1598 PolarHBondContact O-N 3.48Å; I1596-S1598 PolarHBondContact O-OG 3.38Å |
| 1597 | A | 90.5 | Very high | 92.5 | Very high | 47 Ų | 47 | 67.2 Ų | 67.2 | 39% | 0.388 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 57.1 | -2.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 117 | M1583 R1599 G1701 | M1583-A1597 HydrophobicContact CB-CB 4.38Å; M1583-A1597 HydrophobicContact CG-CB 4.25Å; A1597-R1599 PolarHBondContact O-N 2.97Å; A1597-G1701 WeakPolarHBondContact CB-O 3.08Å |
| 1598 | S | 87.1 | Confident | 92.8 | Very high | 78 Ų | 78 | 65.8 Ų | 65.8 | 55% | 0.545 | 36% | 0.356 | S | S | . | . | trans | -68.4 | 6 | 179 | -29.6 | 0 | 0 | 0 | 0 | 115.7 | N1595 I1596 | N1595-S1598 WeakPolarHBondContact OD1-CB 3.44Å; N1595-S1598 PolarHBondContact OD1-OG 3.08Å; I1596-S1598 PolarHBondContact O-N 3.48Å; I1596-S1598 PolarHBondContact O-OG 3.38Å | ||
| 1599 | R | 86.2 | Confident | 92.9 | Very high | 121 Ų | 121 | 69 Ų | 69 | 46% | 0.457 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -140.3 | 160.4 | -172.3 | -85.4 | 179.8 | 159.5 | -136 | -3.6 | 111 | D1562 A1597 D1601 | D1562-R1599 IonicContact OD1-CZ 2.72Å; D1562-R1599 IonicContact OD1-NH1 3.69Å; D1562-R1599 PolarHBondContact OD1-NH1 3.29Å; A1597-R1599 PolarHBondContact O-N 2.97Å; R1599-D1601 VanDerWaalsContact CB-OD2 3.22Å; R1599-D1601 WeakPolarHBondContact CB-OD2 3.37Å; R1599-D1601 PolarHBondContact O-N 3.15Å |
| 1600 | N | 88.3 | Confident | 93.1 | Very high | 134 Ų | 134 | 70.1 Ų | 70.1 | 72% | 0.717 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -78.2 | 58.8 | 174 | -69.3 | -29 | 0 | 0 | 0 | 111.3 | Y1602 | N1600-Y1602 WeakPolarHBondContact O-CE2 3.48Š|
| 1601 | D | 92.6 | Very high | 93.1 | Very high | 8 Ų | 8 | 66 Ų | 66 | 4% | 0.043 | 35% | 0.349 | C | S | . | . | trans | -96 | 154.1 | 172.4 | -62.8 | -48.4 | 0 | 0 | 0 | 109.9 | G1561 D1562 M1583 F1585 R1599 G1701 | G1561-D1601 WeakPolarHBondContact CA-OD1 3.24Å; D1562-D1601 PolarHBondContact N-OD1 3.31Å; M1583-D1601 VanDerWaalsContact CE-C 3.49Å; M1583-D1601 HydrophobicContact CE-CB 3.66Å; M1583-D1601 VanDerWaalsContact CE-O 3.25Å; M1583-D1601 WeakPolarHBondContact CE-O 3.4Å; M1583-D1601 HydrophobicContact SD-CB 4.35Å; F1585-D1601 HydrophobicContact CE2-CB 4.38Å; F1585-D1601 HydrophobicContact CZ-CB 3.89Å; R1599-D1601 VanDerWaalsContact CB-OD2 3.22Å; R1599-D1601 WeakPolarHBondContact CB-OD2 3.37Å; R1599-D1601 PolarHBondContact O-N 3.15Å; D1601-G1701 PolarHBondContact O-N 2.93Å | ||
| 1602 | Y | 94.5 | Very high | 92.9 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 22% | 0.216 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 155.7 | -170.7 | -46.3 | -105.1 | 0 | 0 | 0 | 112 | Q1560 N1600 A1672 E1698 C1699 H1700 | Q1560-Y1602 HydrophobicContact CB-CD2 4.37Å; Q1560-Y1602 HydrophobicContact CG-CD2 4.31Å; Q1560-Y1602 PolarHBondContact N-O 3.38Å; Q1560-Y1602 PolarHBondContact O-N 2.87Å; N1600-Y1602 WeakPolarHBondContact O-CE2 3.48Å; Y1602-A1672 HydrophobicContact CD1-CB 4.46Å; Y1602-A1672 HydrophobicContact CE1-CB 4.22Å; Y1602-E1698 HydrophobicContact CD1-CG 4.25Å; Y1602-C1699 CarbonylContact C-O 3.54Å; Y1602-C1699 VanDerWaalsContact CA-O 3.26Å; Y1602-C1699 WeakPolarHBondContact CA-O 3.41Å; Y1602-C1699 WeakPolarHBondContact CB-O 3.15Å; Y1602-H1700 AromaticContact CD1-CE1 3.94Å; Y1602-H1700 AromaticContact CD1-ND1 3.93Å; Y1602-H1700 AromaticContact CE1-CD2 3.93Å; Y1602-H1700 AromaticContact CE1-CE1 3.96Å; Y1602-H1700 AromaticContact CE1-NE2 3.81Å |
| 1603 | T | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 153 | 164.1 | 57.9 | 0 | 0 | 0 | 0 | 111.9 | I1559 T1582 P1584 F1585 W1605 C1699 | I1559-T1603 HydrophobicContact CB-CG2 4.17Å; I1559-T1603 HydrophobicContact CG2-CG2 3.68Å; T1582-T1603 PolarHBondContact O-OG1 3.32Å; P1584-T1603 HydrophobicContact CG-CG2 3.8Å; F1585-T1603 HydrophobicContact CD1-CG2 4.09Å; F1585-T1603 HydrophobicContact CE1-CG2 3.79Å; T1603-W1605 PolarHBondContact OG1-NE1 3.4Å; T1603-C1699 PolarHBondContact N-O 2.75Å; T1603-C1699 WeakPolarHBondContact O-CA 3.37Å; T1603-C1699 WeakPolarHBondContact O-CB 3.35Å; T1603-C1699 PolarHBondContact O-N 3.47Å |
| 1604 | Y | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 132 | -173.7 | -58.7 | -94 | 0 | 0 | 0 | 109.6 | L1557 Y1558 Q1560 A1671 A1672 F1696 I1697 E1698 | L1557-Y1604 WeakPolarHBondContact CB-O 3.33Å; L1557-Y1604 PolarHBondContact N-O 2.99Å; Y1558-Y1604 AromaticContact CD1-CD2 3.66Å; Y1558-Y1604 HydrophobicContact CD1-CD2 3.66Å; Y1558-Y1604 AromaticContact CD1-CG 3.64Å; Y1558-Y1604 HydrophobicContact CD1-CG 3.64Å; Y1558-Y1604 AromaticContact CD2-CD2 3.54Å; Y1558-Y1604 HydrophobicContact CD2-CD2 3.54Å; Y1558-Y1604 AromaticContact CD2-CE2 3.87Å; Y1558-Y1604 HydrophobicContact CD2-CE2 3.87Å; Y1558-Y1604 HydrophobicContact CD2-CG 4.36Å; Y1558-Y1604 AromaticContact CE1-CD1 3.74Å; Y1558-Y1604 HydrophobicContact CE1-CD1 3.74Å; Y1558-Y1604 AromaticContact CE1-CD2 3.38Å; Y1558-Y1604 HydrophobicContact CE1-CD2 3.38Å; Y1558-Y1604 HydrophobicContact CE1-CE1 4.3Å; Y1558-Y1604 HydrophobicContact CE1-CE2 4Å; Y1558-Y1604 AromaticContact CE1-CG 3.21Å; Y1558-Y1604 HydrophobicContact CE1-CG 3.21Å; Y1558-Y1604 AromaticContact CE2-CD2 3.29Å; Y1558-Y1604 HydrophobicContact CE2-CD2 3.29Å; Y1558-Y1604 AromaticContact CE2-CE2 3.24Å; Y1558-Y1604 HydrophobicContact CE2-CE2 3.24Å; Y1558-Y1604 HydrophobicContact CE2-CG 4.04Å; Y1558-Y1604 AromaticContact CE2-CZ 3.94Å; Y1558-Y1604 AromaticContact CG-CD2 3.74Å; Y1558-Y1604 HydrophobicContact CG-CD2 3.74Å; Y1558-Y1604 HydrophobicContact CG-CG 4.21Å; Y1558-Y1604 AromaticContact CZ-CD1 3.84Å; Y1558-Y1604 AromaticContact CZ-CD2 3.24Å; Y1558-Y1604 AromaticContact CZ-CE1 3.92Å; Y1558-Y1604 AromaticContact CZ-CE2 3.35Å; Y1558-Y1604 AromaticContact CZ-CG 3.48Å; Y1558-Y1604 VanDerWaalsContact CZ-CG 3.48Å; Y1558-Y1604 AromaticContact CZ-CZ 3.67Å; Y1558-Y1604 PolarHBondContact N-O 2.89Å; Y1558-Y1604 PolarHBondContact O-N 2.95Å; Q1560-Y1604 HydrophobicContact CB-CE2 3.94Å; Q1560-Y1604 PolarHBondContact OE1-OH 3.37Å; Y1604-A1671 HydrophobicContact CD1-CB 4.2Å; Y1604-A1671 HydrophobicContact CE1-CB 3.39Å; Y1604-A1672 VanDerWaalsContact OH-CB 3.29Å; Y1604-A1672 WeakPolarHBondContact OH-CB 3.29Å; Y1604-A1672 PolarHBondContact OH-N 3.01Å; Y1604-F1696 HydrophobicContact CD1-CD2 4.03Å; Y1604-F1696 AromaticContact CD1-CE2 3.97Å; Y1604-F1696 HydrophobicContact CD1-CE2 3.97Å; Y1604-F1696 HydrophobicContact CE1-CE2 4.5Å; Y1604-I1697 WeakPolarHBondContact CA-O 3.4Å; Y1604-E1698 HydrophobicContact CD1-CB 3.76Å; Y1604-E1698 HydrophobicContact CD1-CG 4Å; Y1604-E1698 HydrophobicContact CE1-CB 3.54Å; Y1604-E1698 HydrophobicContact CE1-CG 3.37Å |
| 1605 | W | 98.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 143 | -171.2 | -59.2 | 79.1 | 0 | 0 | 0 | 109 | S1555 L1556 L1577 F1580 S1581 P1584 T1603 A1607 I1628 F1696 I1697 | S1555-W1605 CarbonylContact O-C 3.47Å; S1555-W1605 WeakPolarHBondContact O-CA 3.33Å; L1556-W1605 HydrophobicContact CB-CE3 4.14Å; L1556-W1605 HydrophobicContact CB-CH2 4.31Å; L1556-W1605 HydrophobicContact CB-CZ3 3.93Å; L1556-W1605 HydrophobicContact CD1-CD2 4.35Å; L1556-W1605 HydrophobicContact CD1-CH2 4.37Å; L1556-W1605 HydrophobicContact CD1-CZ2 4.1Å; L1577-W1605 HydrophobicContact CB-CH2 4.35Å; L1577-W1605 HydrophobicContact CB-CZ3 4.42Å; L1577-W1605 HydrophobicContact CD1-CH2 3.98Å; F1580-W1605 AromaticContact CD2-CD2 3.71Å; F1580-W1605 HydrophobicContact CD2-CD2 3.71Å; F1580-W1605 AromaticContact CD2-CE2 3.65Å; F1580-W1605 AromaticContact CD2-CE3 3.88Å; F1580-W1605 HydrophobicContact CD2-CE3 3.88Å; F1580-W1605 HydrophobicContact CD2-CG 4.34Å; F1580-W1605 AromaticContact CD2-CH2 3.98Å; F1580-W1605 HydrophobicContact CD2-CH2 3.98Å; F1580-W1605 AromaticContact CD2-CZ2 3.8Å; F1580-W1605 HydrophobicContact CD2-CZ2 3.8Å; F1580-W1605 HydrophobicContact CD2-CZ3 4.02Å; F1580-W1605 AromaticContact CE2-CD1 3.79Å; F1580-W1605 AromaticContact CE2-CD2 3.7Å; F1580-W1605 HydrophobicContact CE2-CD2 3.7Å; F1580-W1605 AromaticContact CE2-CE2 3.55Å; F1580-W1605 HydrophobicContact CE2-CE3 4.32Å; F1580-W1605 AromaticContact CE2-CG 3.88Å; F1580-W1605 HydrophobicContact CE2-CG 3.88Å; F1580-W1605 HydrophobicContact CE2-CZ2 4.08Å; F1580-W1605 AromaticContact CE2-NE1 3.6Å; S1581-W1605 WeakPolarHBondContact O-CZ2 3.43Å; P1584-W1605 HydrophobicContact CG-CZ2 4.2Å; T1603-W1605 PolarHBondContact OG1-NE1 3.4Å; W1605-A1607 PolarHBondContact O-N 2.78Å; W1605-I1628 HydrophobicContact CB-CD1 4.07Å; W1605-I1628 HydrophobicContact CB-CG2 4.27Å; W1605-I1628 HydrophobicContact CE3-CG2 4.23Å; W1605-I1628 HydrophobicContact CG-CD1 4.37Å; W1605-F1696 CarbonylContact O-C 3.57Å; W1605-F1696 WeakPolarHBondContact O-CA 3.35Å; W1605-F1696 VanDerWaalsContact O-CB 3.32Å; W1605-F1696 WeakPolarHBondContact O-CB 3.19Å; W1605-I1697 HydrophobicContact CB-CG2 4.31Å; W1605-I1697 PolarHBondContact N-O 3.34Å; W1605-I1697 VanDerWaalsContact N-O 3.15Å; W1605-I1697 PolarHBondContact O-N 2.99Å |
| 1606 | L | 98.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 139 | 171.7 | -70.7 | 179.9 | 0 | 0 | 0 | 109.5 | H1534 S1555 L1557 L1570 S1629 L1688 P1695 | H1534-L1606 HydrophobicContact CB-CD1 3.74Å; S1555-L1606 PolarHBondContact O-N 3.27Å; L1557-L1606 HydrophobicContact CD1-CD2 4.24Å; L1570-L1606 HydrophobicContact CD1-CD1 3.93Å; L1570-L1606 HydrophobicContact CD1-CD2 4.16Å; L1570-L1606 HydrophobicContact CD1-CG 4.35Å; L1570-L1606 HydrophobicContact CD2-CD1 3.69Å; L1570-L1606 HydrophobicContact CD2-CG 3.99Å; L1570-L1606 HydrophobicContact CG-CD1 4.41Å; L1606-S1629 WeakPolarHBondContact O-CB 3.5Å; L1606-S1629 PolarHBondContact O-N 2.78Å; L1606-L1688 HydrophobicContact CD1-CD2 3.96Å; L1606-L1688 HydrophobicContact CD2-CD1 4.46Å; L1606-P1695 CarbonylContact C-O 3.51Å; L1606-P1695 WeakPolarHBondContact CA-O 3.36Å; L1606-P1695 HydrophobicContact CD2-CB 4.37Å; L1606-P1695 WeakPolarHBondContact CD2-O 3.26Å |
| 1607 | A | 97 | Very high | 92.8 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 2% | 0.017 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -100.9 | 152.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | W1605 Y1627 R1692 P1695 I1697 | W1605-A1607 PolarHBondContact O-N 2.78Å; A1607-Y1627 CarbonylContact C-O 3.58Å; A1607-Y1627 VanDerWaalsContact CA-O 3.26Å; A1607-Y1627 WeakPolarHBondContact CA-O 3.16Å; A1607-R1692 PolarHBondContact O-NH1 2.69Å; A1607-P1695 PolarHBondContact N-O 3.14Å; A1607-I1697 HydrophobicContact CB-CB 4.32Å |
| 1608 | T | 97.2 | Very high | 93 | Very high | 14 Ų | 14 | 57.6 Ų | 57.6 | 9% | 0.086 | 33% | 0.326 | C | S | . | . | trans | -81.7 | -168.6 | 172.8 | 69.4 | 0 | 0 | 0 | 0 | 111.7 | Q1536 T1537 T1538 E1610 P1626 Y1627 R1692 | Q1536-T1608 WeakPolarHBondContact O-CA 3.44Å; T1537-T1608 VanDerWaalsContact C-CG2 3.44Å; T1538-T1608 HydrophobicContact CG2-CG2 4.25Å; T1608-E1610 WeakPolarHBondContact OG1-CB 3.41Å; T1608-E1610 PolarHBondContact OG1-N 2.74Å; T1608-P1626 WeakPolarHBondContact CB-O 3.38Å; T1608-P1626 WeakPolarHBondContact CG2-O 3.3Å; T1608-P1626 PolarHBondContact OG1-O 2.82Å; T1608-Y1627 PolarHBondContact N-O 3.05Å; T1608-R1692 PolarHBondContact O-NH1 2.83Å | ||
| 1609 | K | 94.6 | Very high | 93.4 | Very high | 143 Ų | 143 | 54.5 Ų | 54.5 | 62% | 0.622 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -83.6 | 0.7 | 172.1 | -66.9 | -177.5 | 176.6 | 176.2 | 0 | 113 | D1690 | K1609-D1690 WeakPolarHBondContact CE-OD2 3.37Å; K1609-D1690 IonicContact NZ-OD2 3.42Å; K1609-D1690 PolarHBondContact NZ-OD2 3.46Å |
| 1610 | E | 94.6 | Very high | 93.9 | Very high | 89 Ų | 89 | 52.6 Ų | 52.6 | 42% | 0.416 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 124.6 | -175.9 | -165.3 | 63.3 | -152.5 | 0 | 0 | 110.5 | T1608 P1626 Y1627 | T1608-E1610 WeakPolarHBondContact OG1-CB 3.41Å; T1608-E1610 PolarHBondContact OG1-N 2.74Å; E1610-P1626 HydrophobicContact CG-CB 4.01Å; E1610-Y1627 HydrophobicContact CB-CD1 3.8Å; E1610-Y1627 HydrophobicContact CB-CE1 3.79Å; E1610-Y1627 HydrophobicContact CB-CG 4.34Å; E1610-Y1627 HydrophobicContact CG-CD1 4Å; E1610-Y1627 HydrophobicContact CG-CD2 4.46Å; E1610-Y1627 HydrophobicContact CG-CE1 3.58Å; E1610-Y1627 HydrophobicContact CG-CE2 4.09Å; E1610-Y1627 HydrophobicContact CG-CG 4.4Å |
| 1611 | P | 91.9 | Very high | 94.2 | Very high | 89 Ų | 89 | 49 Ų | 49 | 58% | 0.578 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 146.3 | 176.2 | 28.5 | -34.5 | 0 | 0 | 0 | 110.3 | Y1627 | P1611-Y1627 VanDerWaalsContact O-CE1 3.25Å; P1611-Y1627 WeakPolarHBondContact O-CE1 3.32Å; P1611-Y1627 PolarHBondContact O-OH 3.49Å |
| 1612 | M | 90.5 | Very high | 94.2 | Very high | 33 Ų | 33 | 57 Ų | 57 | 16% | 0.163 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 147.4 | 168.2 | -90.2 | -57.2 | -52.3 | 0 | 0 | 110.8 | M1616 V1619 Y1627 N1706 H1707 | M1612-M1616 HydrophobicContact CB-CE 4.44Å; M1612-M1616 HydrophobicContact CB-SD 3.79Å; M1612-V1619 HydrophobicContact CE-CG2 4.32Å; M1612-Y1627 HydrophobicContact SD-CE1 4.4Å; M1612-N1706 WeakPolarHBondContact CE-OD1 3.5Å; M1612-N1706 PolarHBondContact SD-OD1 3.34Å; M1612-N1706 VanDerWaalsContact SD-OD1 3.41Å; M1612-H1707 HydrophobicContact CG-CB 4.03Å; M1612-H1707 HydrophobicContact SD-CB 4.37Å |
| 1613 | T | 90.7 | Very high | 94.3 | Very high | 39 Ų | 39 | 57.2 Ų | 57.2 | 24% | 0.239 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -46.6 | 141.2 | 172.2 | 57.1 | 0 | 0 | 0 | 0 | 110.8 | S1615 M1616 A1617 V1619 | T1613-S1615 PolarHBondContact O-N 3.09Å; T1613-M1616 WeakPolarHBondContact O-CA 3.4Å; T1613-M1616 PolarHBondContact O-N 2.04Å; T1613-A1617 PolarHBondContact OG1-N 3.09Å; T1613-A1617 PolarHBondContact OG1-O 3.14Å; T1613-A1617 VanDerWaalsContact OG1-O 3.07Å; T1613-V1619 HydrophobicContact CG2-CG2 3.95Å |
| 1614 | A | 89 | Confident | 94.3 | Very high | 105 Ų | 105 | 57.3 Ų | 57.3 | 87% | 0.868 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1615 | S | 91.1 | Very high | 94.2 | Very high | 85 Ų | 85 | 65.1 Ų | 65.1 | 59% | 0.594 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -8.5 | 173 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | T1613 A1617 | T1613-S1615 PolarHBondContact O-N 3.09Å; S1615-A1617 PolarHBondContact O-N 3.33Å; S1615-A1617 VanDerWaalsContact O-N 3.08Å; S1615-A1617 WeakPolarHBondContact OG-CB 3.45Å; S1615-A1617 PolarHBondContact OG-N 3.45Å |
| 1616 | M | 91.3 | Very high | 94.2 | Very high | 116 Ų | 116 | 67.4 Ų | 67.4 | 57% | 0.571 | 39% | 0.389 | S | S | * | . | trans | 54.5 | 17.2 | -168.6 | -57.6 | -68.7 | 160 | 0 | 0 | 113.8 | M1612 T1613 N1706 | M1612-M1616 HydrophobicContact CB-CE 4.44Å; M1612-M1616 HydrophobicContact CB-SD 3.79Å; T1613-M1616 WeakPolarHBondContact O-CA 3.4Å; T1613-M1616 PolarHBondContact O-N 2.04Å; M1616-N1706 PolarHBondContact O-ND2 3.23Å | ||
| 1617 | A | 92.2 | Very high | 94.1 | Very high | 44 Ų | 44 | 68.2 Ų | 68.2 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 144.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1613 S1615 V1619 | T1613-A1617 PolarHBondContact OG1-N 3.09Å; T1613-A1617 PolarHBondContact OG1-O 3.14Å; T1613-A1617 VanDerWaalsContact OG1-O 3.07Å; S1615-A1617 PolarHBondContact O-N 3.33Å; S1615-A1617 VanDerWaalsContact O-N 3.08Å; S1615-A1617 WeakPolarHBondContact OG-CB 3.45Å; S1615-A1617 PolarHBondContact OG-N 3.45Å; A1617-V1619 PolarHBondContact O-N 2.87Å |
| 1618 | P | 94.6 | Very high | 94.2 | Very high | 55 Ų | 55 | 68.2 Ų | 68.2 | 36% | 0.357 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 132.1 | 175.6 | -20.4 | 30.8 | 0 | 0 | 0 | 111.9 | T1704 C1705 N1706 | P1618-T1704 HydrophobicContact CB-CG2 4.14Å; P1618-C1705 CarbonylContact C-O 3.21Å; P1618-C1705 WeakPolarHBondContact CA-O 3.27Å; P1618-N1706 HydrophobicContact CB-CB 4.22Å; P1618-N1706 HydrophobicContact CG-CB 4.43Å |
| 1619 | V | 96.1 | Very high | 94.2 | Very high | 13 Ų | 13 | 67.5 Ų | 67.5 | 8% | 0.079 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 143.5 | -178.9 | -156.4 | 0 | 0 | 0 | 0 | 109.6 | M1612 T1613 A1617 A1623 V1624 Y1627 T1704 C1705 | M1612-V1619 HydrophobicContact CE-CG2 4.32Å; T1613-V1619 HydrophobicContact CG2-CG2 3.95Å; A1617-V1619 PolarHBondContact O-N 2.87Å; V1619-A1623 VanDerWaalsContact CG1-C 3.48Å; V1619-A1623 HydrophobicContact CG1-CB 3.67Å; V1619-A1623 VanDerWaalsContact CG1-O 3.3Å; V1619-A1623 WeakPolarHBondContact CG1-O 3.02Å; V1619-V1624 HydrophobicContact CB-CG2 4.23Å; V1619-V1624 HydrophobicContact CG1-CG2 4.38Å; V1619-V1624 WeakPolarHBondContact O-CG2 3.27Å; V1619-Y1627 HydrophobicContact CB-CE2 4.43Å; V1619-Y1627 HydrophobicContact CG1-CD2 4.46Å; V1619-Y1627 HydrophobicContact CG1-CE2 4.06Å; V1619-Y1627 HydrophobicContact CG2-CD2 4.37Å; V1619-Y1627 HydrophobicContact CG2-CE2 3.87Å; V1619-T1704 CarbonylContact O-C 3.58Å; V1619-T1704 WeakPolarHBondContact O-CA 3.27Å; V1619-C1705 PolarHBondContact N-O 3.34Å; V1619-C1705 PolarHBondContact O-N 3.38Å |
| 1620 | T | 95.6 | Very high | 94.4 | Very high | 81 Ų | 81 | 62.3 Ų | 62.3 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 158.4 | -174.1 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | A1623 G1703 T1704 | T1620-A1623 WeakPolarHBondContact O-CB 3.25Å; T1620-A1623 PolarHBondContact O-N 2.82Å; T1620-G1703 WeakPolarHBondContact CA-O 3.36Å; T1620-T1704 HydrophobicContact CG2-CG2 3.71Å |
| 1621 | G | 94 | Very high | 94.6 | Very high | 59 Ų | 59 | 58.1 Ų | 58.1 | 61% | 0.608 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | 56.2 | -140.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1623 V1624 | G1621-A1623 PolarHBondContact O-N 2.99Å; G1621-V1624 WeakPolarHBondContact O-CB 3.4Å; G1621-V1624 PolarHBondContact O-N 2.86Å; G1621-V1624 VanDerWaalsContact O-N 3.17Å |
| 1622 | Y | 93.8 | Very high | 94.9 | Very high | 176 Ų | 176 | 53.9 Ų | 53.9 | 69% | 0.69 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -63.3 | -23.4 | -179.3 | -68.8 | -72.6 | 0 | 0 | 0 | 114.2 | V1624 R1625 | Y1622-V1624 PolarHBondContact O-N 2.91Å; Y1622-R1625 WeakPolarHBondContact O-CB 3.48Å; Y1622-R1625 PolarHBondContact O-N 3.39Å |
| 1623 | A | 95 | Very high | 95.3 | Very high | 58 Ų | 58 | 52.3 Ų | 52.3 | 48% | 0.479 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -67.4 | -12.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1619 T1620 G1621 R1625 P1626 | V1619-A1623 VanDerWaalsContact CG1-C 3.48Å; V1619-A1623 HydrophobicContact CG1-CB 3.67Å; V1619-A1623 VanDerWaalsContact CG1-O 3.3Å; V1619-A1623 WeakPolarHBondContact CG1-O 3.02Å; T1620-A1623 WeakPolarHBondContact O-CB 3.25Å; T1620-A1623 PolarHBondContact O-N 2.82Å; G1621-A1623 PolarHBondContact O-N 2.99Å; A1623-R1625 VanDerWaalsContact C-N 3.31Å; A1623-P1626 WeakPolarHBondContact O-CD 3.37Å |
| 1624 | V | 96.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -70.2 | -26.7 | 169.6 | 176.7 | 0 | 0 | 0 | 0 | 111.9 | F1580 V1619 G1621 Y1622 Y1627 I1628 C1705 | F1580-V1624 HydrophobicContact CE1-CG1 3.82Å; F1580-V1624 HydrophobicContact CZ-CG1 3.63Å; V1619-V1624 HydrophobicContact CB-CG2 4.23Å; V1619-V1624 HydrophobicContact CG1-CG2 4.38Å; V1619-V1624 WeakPolarHBondContact O-CG2 3.27Å; G1621-V1624 WeakPolarHBondContact O-CB 3.4Å; G1621-V1624 PolarHBondContact O-N 2.86Å; G1621-V1624 VanDerWaalsContact O-N 3.17Å; Y1622-V1624 PolarHBondContact O-N 2.91Å; V1624-Y1627 WeakPolarHBondContact O-CB 3.32Å; V1624-Y1627 PolarHBondContact O-N 3.24Å; V1624-I1628 HydrophobicContact CG1-CD1 3.82Å; V1624-I1628 HydrophobicContact CG1-CG1 3.85Å; V1624-C1705 HydrophobicContact CG1-CB 4.15Å; V1624-C1705 VanDerWaalsContact CG1-SG 3.55Å; V1624-C1705 HydrophobicContact CG2-CB 4.27Å |
| 1625 | R | 95.9 | Very high | 95.8 | Very high | 165 Ų | 165 | 47.5 Ų | 47.5 | 62% | 0.623 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -55.1 | -41.6 | -170.6 | -177.4 | 176.9 | 175.5 | 171.6 | -2.2 | 115.1 | Y1622 A1623 Y1627 I1628 | Y1622-R1625 WeakPolarHBondContact O-CB 3.48Å; Y1622-R1625 PolarHBondContact O-N 3.39Å; A1623-R1625 VanDerWaalsContact C-N 3.31Å; R1625-Y1627 PolarHBondContact O-N 3.29Å; R1625-I1628 PolarHBondContact O-N 3.29Å |
| 1626 | P | 97.1 | Very high | 95.8 | Very high | 48 Ų | 48 | 43.6 Ų | 43.6 | 31% | 0.312 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -61.4 | -25.8 | 176.9 | -25 | 37 | 0 | 0 | 0 | 113.9 | T1538 T1608 E1610 A1623 | T1538-P1626 WeakPolarHBondContact CG2-O 3.21Å; T1608-P1626 WeakPolarHBondContact CB-O 3.38Å; T1608-P1626 WeakPolarHBondContact CG2-O 3.3Å; T1608-P1626 PolarHBondContact OG1-O 2.82Å; E1610-P1626 HydrophobicContact CG-CB 4.01Å; A1623-P1626 WeakPolarHBondContact O-CD 3.37Å |
| 1627 | Y | 97.2 | Very high | 95.7 | Very high | 16 Ų | 16 | 38.5 Ų | 38.5 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -82.2 | -17.5 | -176.5 | -64.7 | -86.1 | 0 | 0 | 0 | 114.3 | A1607 T1608 E1610 P1611 M1612 V1619 V1624 R1625 I1697 | A1607-Y1627 CarbonylContact C-O 3.58Å; A1607-Y1627 VanDerWaalsContact CA-O 3.26Å; A1607-Y1627 WeakPolarHBondContact CA-O 3.16Å; T1608-Y1627 PolarHBondContact N-O 3.05Å; E1610-Y1627 HydrophobicContact CB-CD1 3.8Å; E1610-Y1627 HydrophobicContact CB-CE1 3.79Å; E1610-Y1627 HydrophobicContact CB-CG 4.34Å; E1610-Y1627 HydrophobicContact CG-CD1 4Å; E1610-Y1627 HydrophobicContact CG-CD2 4.46Å; E1610-Y1627 HydrophobicContact CG-CE1 3.58Å; E1610-Y1627 HydrophobicContact CG-CE2 4.09Å; E1610-Y1627 HydrophobicContact CG-CG 4.4Å; P1611-Y1627 VanDerWaalsContact O-CE1 3.25Å; P1611-Y1627 WeakPolarHBondContact O-CE1 3.32Å; P1611-Y1627 PolarHBondContact O-OH 3.49Å; M1612-Y1627 HydrophobicContact SD-CE1 4.4Å; V1619-Y1627 HydrophobicContact CB-CE2 4.43Å; V1619-Y1627 HydrophobicContact CG1-CD2 4.46Å; V1619-Y1627 HydrophobicContact CG1-CE2 4.06Å; V1619-Y1627 HydrophobicContact CG2-CD2 4.37Å; V1619-Y1627 HydrophobicContact CG2-CE2 3.87Å; V1624-Y1627 WeakPolarHBondContact O-CB 3.32Å; V1624-Y1627 PolarHBondContact O-N 3.24Å; R1625-Y1627 PolarHBondContact O-N 3.29Å; Y1627-I1697 HydrophobicContact CD1-CD1 4.17Å; Y1627-I1697 HydrophobicContact CG-CD1 4.09Å |
| 1628 | I | 98.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -96.2 | 120.6 | -171 | -49.9 | -58 | 0 | 0 | 0 | 112.1 | Y1554 F1580 W1605 V1624 R1625 I1697 | Y1554-I1628 HydrophobicContact CD1-CB 4.35Å; Y1554-I1628 HydrophobicContact CD1-CG2 3.78Å; Y1554-I1628 HydrophobicContact CG-CG2 4.32Å; F1580-I1628 HydrophobicContact CD2-CD1 4.29Å; F1580-I1628 HydrophobicContact CD2-CG1 4Å; F1580-I1628 HydrophobicContact CD2-CG2 3.95Å; F1580-I1628 HydrophobicContact CE2-CD1 3.57Å; F1580-I1628 HydrophobicContact CE2-CG1 3.7Å; F1580-I1628 HydrophobicContact CE2-CG2 4.28Å; F1580-I1628 HydrophobicContact CZ-CD1 3.92Å; F1580-I1628 HydrophobicContact CZ-CG1 4Å; W1605-I1628 HydrophobicContact CB-CD1 4.07Å; W1605-I1628 HydrophobicContact CB-CG2 4.27Å; W1605-I1628 HydrophobicContact CE3-CG2 4.23Å; W1605-I1628 HydrophobicContact CG-CD1 4.37Å; V1624-I1628 HydrophobicContact CG1-CD1 3.82Å; V1624-I1628 HydrophobicContact CG1-CG1 3.85Å; R1625-I1628 PolarHBondContact O-N 3.29Å; I1628-I1697 HydrophobicContact CD1-CG2 3.76Å |
| 1629 | S | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 134.8 | 175.4 | 175.1 | 0 | 0 | 0 | 0 | 112.1 | Q1536 T1537 S1555 L1606 | Q1536-S1629 VanDerWaalsContact CA-OG 3.23Å; Q1536-S1629 WeakPolarHBondContact CA-OG 3.48Å; Q1536-S1629 PolarHBondContact N-OG 3.41Å; T1537-S1629 WeakPolarHBondContact O-CA 3.44Å; S1555-S1629 VanDerWaalsContact CB-O 3.3Å; S1555-S1629 WeakPolarHBondContact CB-O 3.42Å; S1555-S1629 PolarHBondContact N-O 3.21Å; S1555-S1629 VanDerWaalsContact OG-C 3.28Å; S1555-S1629 WeakPolarHBondContact OG-CB 3.48Å; S1555-S1629 PolarHBondContact OG-O 3.04Å; S1555-S1629 PolarHBondContact OG-OG 2.95Å; L1606-S1629 WeakPolarHBondContact O-CB 3.5Å; L1606-S1629 PolarHBondContact O-N 2.78Å |
| 1630 | R | 98.5 | Very high | 95.5 | Very high | 34 Ų | 34 | 39.8 Ų | 39.8 | 13% | 0.128 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 162.6 | 168.4 | -62.3 | -65.6 | -68 | 160.6 | 4.3 | 112.2 | S1535 T1537 T1538 D1539 V1540 G1553 Y1554 S1555 | S1535-R1630 PolarHBondContact N-O 2.73Å; S1535-R1630 PolarHBondContact OG-O 3.5Å; T1537-R1630 PolarHBondContact O-N 2.86Å; T1538-R1630 WeakPolarHBondContact O-CG 3.26Å; D1539-R1630 WeakPolarHBondContact O-CB 3.06Å; V1540-R1630 HydrophobicContact CG2-CB 4.33Å; V1540-R1630 HydrophobicContact CG2-CG 4.4Å; G1553-R1630 CarbonylContact O-C 3.41Å; G1553-R1630 WeakPolarHBondContact O-CA 3.39Å; G1553-R1630 PolarHBondContact O-NE 3.47Å; G1553-R1630 PolarHBondContact O-NH1 3.44Å; Y1554-R1630 VanDerWaalsContact CE1-NH1 3.3Å; S1555-R1630 PolarHBondContact OG-O 3.49Å; S1555-R1630 VanDerWaalsContact OG-O 3.13Å |
| 1631 | C | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 164.4 | 175.5 | 57.6 | 0 | 0 | 0 | 0 | 111.5 | R1533 H1534 V1552 G1553 Y1554 C1576 | R1533-C1631 CarbonylContact O-C 3.53Å; R1533-C1631 WeakPolarHBondContact O-CA 3.18Å; R1533-C1631 VanDerWaalsContact O-CB 3.26Å; R1533-C1631 WeakPolarHBondContact O-CB 3.39Å; H1534-C1631 WeakPolarHBondContact ND1-CB 3.15Å; V1552-C1631 WeakPolarHBondContact CA-O 3.43Å; G1553-C1631 PolarHBondContact N-O 3.31Å; G1553-C1631 PolarHBondContact O-N 3.4Å; G1553-C1631 PolarHBondContact O-SG 3.35Å; G1553-C1631 VanDerWaalsContact O-SG 3.38Å; Y1554-C1631 VanDerWaalsContact C-SG 3.58Å; C1576-C1631 WeakPolarHBondContact CA-SG 3.14Å; C1576-C1631 HydrophobicContact CB-CB 3.94Å; C1576-C1631 WeakPolarHBondContact CB-SG 3.15Å; C1576-C1631 VanDerWaalsContact SG-C 3.52Å; C1576-C1631 WeakPolarHBondContact SG-CB 3.46Å; C1576-C1631 CovalentContact SG-SG 2.04Å; C1576-C1631 PolarHBondContact SG-SG 3.31Å |
| 1632 | V | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 146.7 | 169.2 | 71.4 | 0 | 0 | 0 | 0 | 108.4 | A1532 R1533 V1540 P1541 C1543 Q1549 W1551 V1552 | A1532-V1632 WeakPolarHBondContact CA-O 3.27Å; R1533-V1632 HydrophobicContact CB-CG1 4.09Å; R1533-V1632 PolarHBondContact N-O 3.4Å; R1533-V1632 PolarHBondContact O-N 2.86Å; V1540-V1632 HydrophobicContact CG1-CB 4.48Å; P1541-V1632 HydrophobicContact CB-CG1 4.47Å; P1541-V1632 HydrophobicContact CG-CB 4.32Å; P1541-V1632 HydrophobicContact CG-CG1 4.02Å; P1541-V1632 WeakPolarHBondContact O-CB 3.11Å; P1541-V1632 VanDerWaalsContact O-CG1 3.23Å; P1541-V1632 WeakPolarHBondContact O-CG1 3.46Å; C1543-V1632 VanDerWaalsContact SG-CG2 3.58Å; Q1549-V1632 HydrophobicContact CB-CG2 4.41Å; Q1549-V1632 HydrophobicContact CG-CG2 3.64Å; W1551-V1632 WeakPolarHBondContact O-CA 3.27Å; W1551-V1632 WeakPolarHBondContact O-CG2 3.22Å; V1552-V1632 HydrophobicContact CG1-CG2 4.04Å |
| 1633 | V | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 124.3 | 166.6 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | F1530 F1531 A1532 L1550 W1551 P1573 C1576 | F1530-V1633 HydrophobicContact CB-CG1 4.45Å; F1531-V1633 WeakPolarHBondContact O-CA 3.31Å; A1532-V1633 HydrophobicContact CB-CG2 4.37Å; L1550-V1633 HydrophobicContact CD1-CG1 4.35Å; L1550-V1633 PolarHBondContact N-O 3.38Å; W1551-V1633 HydrophobicContact CD2-CB 4Å; W1551-V1633 HydrophobicContact CD2-CG2 4.13Å; W1551-V1633 HydrophobicContact CE3-CB 4.2Å; W1551-V1633 HydrophobicContact CE3-CG1 4.39Å; W1551-V1633 HydrophobicContact CH2-CB 4.23Å; W1551-V1633 HydrophobicContact CH2-CG1 3.95Å; W1551-V1633 HydrophobicContact CH2-CG2 4.19Å; W1551-V1633 HydrophobicContact CZ2-CB 4.05Å; W1551-V1633 HydrophobicContact CZ2-CG1 4.2Å; W1551-V1633 HydrophobicContact CZ2-CG2 3.57Å; W1551-V1633 HydrophobicContact CZ3-CB 4.29Å; W1551-V1633 HydrophobicContact CZ3-CG1 4.04Å; W1551-V1633 PolarHBondContact O-N 3.4Å; P1573-V1633 HydrophobicContact CB-CG1 3.93Å; P1573-V1633 HydrophobicContact CB-CG2 4.09Å; P1573-V1633 HydrophobicContact CG-CG1 3.87Å; C1576-V1633 HydrophobicContact CB-CG2 3.59Å |
| 1634 | C | 96.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 139.6 | -178.7 | -50.4 | 0 | 0 | 0 | 0 | 110.7 | F1530 F1531 C1543 S1548 | F1530-C1634 CarbonylContact C-O 3.57Å; F1530-C1634 VanDerWaalsContact CA-O 3.25Å; F1530-C1634 WeakPolarHBondContact CA-O 3.43Å; F1531-C1634 HydrophobicContact CD1-CB 4.48Å; F1531-C1634 HydrophobicContact CE1-CB 3.91Å; F1531-C1634 HydrophobicContact CE2-CB 4.11Å; F1531-C1634 HydrophobicContact CZ-CB 3.7Å; F1531-C1634 PolarHBondContact N-O 3.04Å; F1531-C1634 PolarHBondContact O-N 3.38Å; C1543-C1634 WeakPolarHBondContact CA-SG 3.29Å; C1543-C1634 HydrophobicContact CB-CB 3.99Å; C1543-C1634 WeakPolarHBondContact CB-SG 3.28Å; C1543-C1634 WeakPolarHBondContact SG-CB 3.43Å; C1543-C1634 CovalentContact SG-SG 2.04Å; C1543-C1634 PolarHBondContact SG-SG 2.91Å; S1548-C1634 CarbonylContact O-C 3.55Å; S1548-C1634 VanDerWaalsContact O-CA 3.24Å; S1548-C1634 WeakPolarHBondContact O-CA 3.49Å |
| 1635 | E | 94.6 | Very high | 96.1 | Very high | 43 Ų | 43 | 29.2 Ų | 29.2 | 20% | 0.201 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 143 | 170.4 | 168.7 | -175.6 | -116 | 0 | 0 | 109.6 | S1526 F1530 T1547 S1548 L1550 | S1526-E1635 VanDerWaalsContact CB-CD 3.5Å; S1526-E1635 WeakPolarHBondContact CB-OE1 3.28Å; S1526-E1635 VanDerWaalsContact OG-CG 3.3Å; S1526-E1635 WeakPolarHBondContact OG-CG 3.4Å; S1526-E1635 PolarHBondContact OG-OE1 3.22Å; F1530-E1635 HydrophobicContact CD1-CB 3.91Å; F1530-E1635 HydrophobicContact CD1-CG 4.26Å; F1530-E1635 HydrophobicContact CE1-CB 4.08Å; F1530-E1635 HydrophobicContact CE1-CG 4.02Å; T1547-E1635 CarbonylContact C-O 3.49Å; T1547-E1635 WeakPolarHBondContact CA-O 3.43Å; T1547-E1635 WeakPolarHBondContact CB-O 3.46Å; S1548-E1635 PolarHBondContact N-O 3.34Å; S1548-E1635 PolarHBondContact O-N 3.09Å; S1548-E1635 WeakPolarHBondContact OG-CB 3.14Å; S1548-E1635 PolarHBondContact OG-O 3.03Å; S1548-E1635 PolarHBondContact OG-OE2 3.19Å; L1550-E1635 HydrophobicContact CD1-CB 4.08Å; L1550-E1635 HydrophobicContact CD2-CB 3.92Å; L1550-E1635 HydrophobicContact CG-CB 3.9Å |
| 1636 | L | 91.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 152.9 | -170.2 | 61.6 | 161.8 | 0 | 0 | 0 | 112.3 | F1529 F1531 T1547 T1638 I1640 M1749 | F1529-L1636 VanDerWaalsContact C-CD2 3.5Å; F1529-L1636 HydrophobicContact CB-CD2 3.94Å; F1529-L1636 HydrophobicContact CB-CG 3.9Å; F1529-L1636 WeakPolarHBondContact O-CD2 3.36Å; F1529-L1636 PolarHBondContact O-N 3.38Å; F1531-L1636 HydrophobicContact CD1-CD1 3.86Å; F1531-L1636 HydrophobicContact CD1-CD2 3.42Å; F1531-L1636 VanDerWaalsContact CD1-CD2 3.42Å; F1531-L1636 HydrophobicContact CD1-CG 4.25Å; F1531-L1636 HydrophobicContact CE1-CB 4.49Å; F1531-L1636 HydrophobicContact CE1-CD1 3.88Å; F1531-L1636 HydrophobicContact CE1-CD2 3.76Å; F1531-L1636 HydrophobicContact CE1-CG 4.28Å; T1547-L1636 HydrophobicContact CG2-CB 3.7Å; L1636-T1638 WeakPolarHBondContact CD1-O 3.35Å; L1636-T1638 VanDerWaalsContact CG-O 3.26Å; L1636-T1638 WeakPolarHBondContact CG-O 3.11Å; L1636-T1638 PolarHBondContact O-N 3.24Å; L1636-I1640 HydrophobicContact CD1-CB 3.7Å; L1636-I1640 HydrophobicContact CD1-CD1 4.47Å; L1636-I1640 HydrophobicContact CD1-CG2 3.85Å; L1636-M1749 HydrophobicContact CB-SD 4.18Å; L1636-M1749 HydrophobicContact CD1-CG 4.22Å; L1636-M1749 HydrophobicContact CD1-SD 4.03Å |
| 1637 | P | 87.8 | Confident | 96.1 | Very high | 10 Ų | 10 | 25 Ų | 25 | 7% | 0.065 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -73.8 | -12.2 | -174.5 | 29.1 | -36.6 | 0 | 0 | 0 | 114.3 | A1524 G1546 | A1524-P1637 HydrophobicContact CB-CB 4.1Å; G1546-P1637 WeakPolarHBondContact O-CD 3.25Å |
| 1638 | T | 91.4 | Very high | 95.9 | Very high | 12 Ų | 12 | 27.1 Ų | 27.1 | 7% | 0.074 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -148.9 | 174.6 | -167.4 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | F1529 L1636 M1749 K1750 P1752 | F1529-T1638 WeakPolarHBondContact CB-O 3.3Å; F1529-T1638 VanDerWaalsContact CD2-C 3.44Å; F1529-T1638 WeakPolarHBondContact CG-O 3.35Å; L1636-T1638 WeakPolarHBondContact CD1-O 3.35Å; L1636-T1638 VanDerWaalsContact CG-O 3.26Å; L1636-T1638 WeakPolarHBondContact CG-O 3.11Å; L1636-T1638 PolarHBondContact O-N 3.24Å; T1638-M1749 WeakPolarHBondContact OG1-CG 3.2Å; T1638-K1750 VanDerWaalsContact CB-O 3.24Å; T1638-K1750 WeakPolarHBondContact CB-O 3.28Å; T1638-K1750 WeakPolarHBondContact CG2-O 3.33Å; T1638-K1750 PolarHBondContact OG1-O 2.69Å; T1638-P1752 HydrophobicContact CG2-CB 3.97Å |
| 1639 | Q | 92.4 | Very high | 95.7 | Very high | 101 Ų | 101 | 31.6 Ų | 31.6 | 47% | 0.472 | 17% | 0.168 | S | C | . | . | trans | -66.8 | 150.9 | 173.8 | -69.6 | 170 | -26 | 0 | 0 | 112.4 | F1529 W1657 K1750 | F1529-Q1639 HydrophobicContact CD1-CG 4.19Å; F1529-Q1639 HydrophobicContact CE1-CG 3.63Å; F1529-Q1639 HydrophobicContact CZ-CG 3.85Å; Q1639-W1657 HydrophobicContact CB-CH2 4.08Å; Q1639-W1657 HydrophobicContact CB-CZ3 4.38Å; Q1639-W1657 WeakPolarHBondContact O-CZ3 3.3Å; Q1639-K1750 PolarHBondContact O-N 2.94Å | ||
| 1640 | I | 94.9 | Very high | 95.7 | Very high | 25 Ų | 25 | 35.1 Ų | 35.1 | 13% | 0.128 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 140.6 | 174.1 | -169.1 | 173.9 | 0 | 0 | 0 | 109.1 | F1531 L1636 V1660 W1661 P1684 V1747 C1748 M1749 | F1531-I1640 HydrophobicContact CB-CG2 4.07Å; F1531-I1640 HydrophobicContact CD1-CD1 3.58Å; F1531-I1640 HydrophobicContact CD1-CG2 3.85Å; F1531-I1640 HydrophobicContact CD2-CD1 4.25Å; F1531-I1640 HydrophobicContact CE1-CD1 3.59Å; F1531-I1640 HydrophobicContact CE2-CD1 4.25Å; F1531-I1640 HydrophobicContact CG-CD1 3.94Å; F1531-I1640 HydrophobicContact CG-CG2 4.21Å; F1531-I1640 HydrophobicContact CZ-CD1 3.94Å; L1636-I1640 HydrophobicContact CD1-CB 3.7Å; L1636-I1640 HydrophobicContact CD1-CD1 4.47Å; L1636-I1640 HydrophobicContact CD1-CG2 3.85Å; I1640-V1660 HydrophobicContact CD1-CG2 4.28Å; I1640-W1661 HydrophobicContact CD1-CZ3 4.29Å; I1640-P1684 HydrophobicContact CD1-CG 4.24Å; I1640-P1684 HydrophobicContact CG1-CG 4.08Å; I1640-P1684 HydrophobicContact CG2-CG 3.88Å; I1640-V1747 HydrophobicContact CD1-CG1 3.57Å; I1640-V1747 HydrophobicContact CG1-CG1 3.56Å; I1640-C1748 CarbonylContact C-O 3.59Å; I1640-C1748 VanDerWaalsContact CA-O 3.32Å; I1640-C1748 WeakPolarHBondContact CA-O 3.17Å; I1640-C1748 WeakPolarHBondContact CG1-O 3.09Å; I1640-M1749 HydrophobicContact CG1-CB 4.48Å |
| 1641 | I | 97.2 | Very high | 95.6 | Very high | 43 Ų | 43 | 34.2 Ų | 34.2 | 22% | 0.221 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 156.9 | -178.6 | 64.1 | -179.9 | 0 | 0 | 0 | 111 | V1643 P1654 W1657 Q1682 V1747 C1748 | I1641-V1643 HydrophobicContact CD1-CG2 4.31Å; I1641-V1643 HydrophobicContact CG1-CG2 4.34Å; I1641-P1654 HydrophobicContact CD1-CG 4.34Å; I1641-W1657 HydrophobicContact CB-CZ3 4.24Å; I1641-W1657 HydrophobicContact CD1-CD2 4.34Å; I1641-W1657 HydrophobicContact CD1-CE3 4.02Å; I1641-W1657 HydrophobicContact CD1-CH2 3.86Å; I1641-W1657 HydrophobicContact CD1-CZ2 4.15Å; I1641-W1657 HydrophobicContact CD1-CZ3 3.79Å; I1641-W1657 HydrophobicContact CG1-CE3 3.91Å; I1641-W1657 HydrophobicContact CG1-CH2 4.11Å; I1641-W1657 HydrophobicContact CG1-CZ3 3.6Å; I1641-W1657 HydrophobicContact CG2-CH2 3.87Å; I1641-W1657 HydrophobicContact CG2-CZ3 3.9Å; I1641-Q1682 CarbonylContact C-O 3.5Å; I1641-Q1682 VanDerWaalsContact CA-O 3.31Å; I1641-Q1682 WeakPolarHBondContact CA-O 3.24Å; I1641-V1747 CarbonylContact O-C 3.3Å; I1641-V1747 WeakPolarHBondContact O-CA 3.38Å; I1641-C1748 HydrophobicContact CG1-CB 4.21Å; I1641-C1748 PolarHBondContact N-O 3.33Å; I1641-C1748 PolarHBondContact O-N 3.02Å |
| 1642 | A | 98.4 | Very high | 95.6 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 151.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q1682 S1683 S1686 C1687 V1747 | A1642-Q1682 PolarHBondContact N-O 2.92Å; A1642-S1683 WeakPolarHBondContact CB-O 3.31Å; A1642-S1686 VanDerWaalsContact CB-OG 3.28Å; A1642-S1686 WeakPolarHBondContact CB-OG 3.47Å; A1642-C1687 HydrophobicContact CB-CB 4.16Å; A1642-V1747 HydrophobicContact CB-CG2 4.27Å |
| 1643 | V | 98.4 | Very high | 95.5 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 20% | 0.2 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 137.8 | 173.5 | -163.4 | 0 | 0 | 0 | 0 | 107.9 | I1641 P1651 C1745 Q1746 | I1641-V1643 HydrophobicContact CD1-CG2 4.31Å; I1641-V1643 HydrophobicContact CG1-CG2 4.34Å; V1643-P1651 HydrophobicContact CB-CG 4.37Å; V1643-P1651 HydrophobicContact CG1-CB 4.19Å; V1643-P1651 WeakPolarHBondContact O-CG 3.06Å; V1643-C1745 CarbonylContact O-C 3.56Å; V1643-C1745 WeakPolarHBondContact O-CA 2.78Å; V1643-C1745 VanDerWaalsContact O-CB 3.22Å; V1643-C1745 WeakPolarHBondContact O-CB 3.19Å; V1643-Q1746 PolarHBondContact N-O 2.7Å; V1643-Q1746 PolarHBondContact O-N 3.4Å |
| 1644 | H | 98.3 | Very high | 95.5 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 18% | 0.181 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 138 | -177.2 | -59.9 | -79.4 | 0 | 0 | 0 | 111 | S1665 L1681 S1686 L1716 C1745 | H1644-S1665 WeakPolarHBondContact ND1-CB 3.49Å; H1644-S1665 PolarHBondContact ND1-OG 3.15Å; H1644-L1681 PolarHBondContact CD2-O 2.96Å; H1644-L1681 PolarHBondContact NE2-O 3.49Å; H1644-S1686 PolarHBondContact CE1-OG 3.14Å; H1644-S1686 PolarHBondContact NE2-OG 3.13Å; H1644-L1716 HydrophobicContact CB-CD1 4.13Å; H1644-C1745 WeakPolarHBondContact ND1-CB 3.35Å |
| 1645 | S | 96.9 | Very high | 95.4 | Very high | 30 Ų | 30 | 53.3 Ų | 53.3 | 21% | 0.21 | 29% | 0.289 | C | S | . | . | trans | -87.2 | -26.7 | 179.9 | 55 | 0 | 0 | 0 | 0 | 114 | T1647 D1649 R1744 | S1645-T1647 PolarHBondContact O-N 2.79Å; S1645-T1647 PolarHBondContact OG-N 3.04Å; S1645-T1647 VanDerWaalsContact OG-N 3.15Å; S1645-T1647 PolarHBondContact OG-O 2.95Å; S1645-T1647 VanDerWaalsContact OG-O 3.08Å; S1645-D1649 WeakPolarHBondContact CB-O 3.4Å; S1645-D1649 PolarHBondContact OG-O 2.99Å; S1645-R1744 PolarHBondContact N-O 2.72Å; S1645-R1744 VanDerWaalsContact N-O 3.13Å; S1645-R1744 PolarHBondContact OG-O 2.62Å | ||
| 1646 | Q | 96.2 | Very high | 95.4 | Very high | 93 Ų | 93 | 52.8 Ų | 52.8 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 55.1 | 21.3 | -161.6 | -57.7 | -175.8 | -107.8 | 0 | 0 | 113.1 | V1718 I1719 S1743 | Q1646-V1718 CarbonylContact O-C 3.5Å; Q1646-V1718 WeakPolarHBondContact O-CA 3.38Å; Q1646-I1719 PolarHBondContact O-N 3.25Å; Q1646-S1743 VanDerWaalsContact CA-OG 3.26Å; Q1646-S1743 WeakPolarHBondContact CA-OG 3.34Å; Q1646-S1743 PolarHBondContact N-OG 3.4Å |
| 1647 | T | 95.4 | Very high | 95.5 | Very high | 31 Ų | 31 | 54.7 Ų | 54.7 | 19% | 0.19 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -132.4 | 176.6 | 174.4 | 76.1 | 0 | 0 | 0 | 0 | 111.7 | S1645 D1649 S1743 R1744 | S1645-T1647 PolarHBondContact O-N 2.79Å; S1645-T1647 PolarHBondContact OG-N 3.04Å; S1645-T1647 VanDerWaalsContact OG-N 3.15Å; S1645-T1647 PolarHBondContact OG-O 2.95Å; S1645-T1647 VanDerWaalsContact OG-O 3.08Å; T1647-D1649 VanDerWaalsContact CB-OD2 3.3Å; T1647-D1649 WeakPolarHBondContact CB-OD2 3.43Å; T1647-D1649 PolarHBondContact O-N 3.04Å; T1647-D1649 WeakPolarHBondContact OG1-CB 3.1Å; T1647-D1649 PolarHBondContact OG1-N 3.09Å; T1647-D1649 VanDerWaalsContact OG1-N 3.16Å; T1647-D1649 PolarHBondContact OG1-OD2 2.86Å; T1647-S1743 WeakPolarHBondContact O-CA 3.46Å; T1647-R1744 PolarHBondContact O-N 3.3Å |
| 1648 | S | 93.2 | Very high | 95.8 | Very high | 61 Ų | 61 | 57.4 Ų | 57.4 | 43% | 0.427 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -65.5 | -11.8 | 171.8 | 43.4 | 0 | 0 | 0 | 0 | 113.9 | R1744 | S1648-R1744 VanDerWaalsContact C-CG 3.4Å; S1648-R1744 WeakPolarHBondContact O-CG 3.41Å |
| 1649 | D | 95.3 | Very high | 96 | Very high | 96 Ų | 96 | 60 Ų | 60 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -104.1 | 145 | -166 | -29.7 | -57.6 | 0 | 0 | 0 | 109 | S1645 T1647 R1744 | S1645-D1649 WeakPolarHBondContact CB-O 3.4Å; S1645-D1649 PolarHBondContact OG-O 2.99Å; T1647-D1649 VanDerWaalsContact CB-OD2 3.3Å; T1647-D1649 WeakPolarHBondContact CB-OD2 3.43Å; T1647-D1649 PolarHBondContact O-N 3.04Å; T1647-D1649 WeakPolarHBondContact OG1-CB 3.1Å; T1647-D1649 PolarHBondContact OG1-N 3.09Å; T1647-D1649 VanDerWaalsContact OG1-N 3.16Å; T1647-D1649 PolarHBondContact OG1-OD2 2.86Å; D1649-R1744 WeakPolarHBondContact O-CB 3.49Å |
| 1650 | I | 97.6 | Very high | 96.1 | Very high | 74 Ų | 74 | 56.6 Ų | 56.6 | 38% | 0.379 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 126.5 | -177.2 | -59.2 | 169.8 | 0 | 0 | 0 | 108.5 | R1744 Q1746 | I1650-R1744 HydrophobicContact CG1-CB 4.4Å; I1650-Q1746 HydrophobicContact CG2-CB 4.04Å; I1650-Q1746 HydrophobicContact CG2-CG 4.43Å; I1650-Q1746 VanDerWaalsContact CG2-OE1 3.31Å |
| 1651 | P | 97.4 | Very high | 96.2 | Very high | 15 Ų | 15 | 56.4 Ų | 56.4 | 10% | 0.097 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 140.3 | 178 | 26.6 | -30.6 | 0 | 0 | 0 | 110.6 | V1643 Q1746 | V1643-P1651 HydrophobicContact CB-CG 4.37Å; V1643-P1651 HydrophobicContact CG1-CB 4.19Å; V1643-P1651 WeakPolarHBondContact O-CG 3.06Å; P1651-Q1746 HydrophobicContact CG-CB 3.9Å; P1651-Q1746 WeakPolarHBondContact O-CB 3.5Å; P1651-Q1746 WeakPolarHBondContact O-CG 3.39Å |
| 1652 | V | 97.1 | Very high | 96.2 | Very high | 131 Ų | 131 | 56.2 Ų | 56.2 | 79% | 0.794 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 138.6 | 176.9 | -172.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 1653 | C | 97.7 | Very high | 96.1 | Very high | 19 Ų | 19 | 55.8 Ų | 55.8 | 13% | 0.128 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -61 | 148.7 | 173.6 | -71 | 0 | 0 | 0 | 0 | 112 | W1657 A1659 Q1746 C1748 | C1653-W1657 HydrophobicContact CB-CB 4.16Å; C1653-A1659 VanDerWaalsContact SG-CA 3.56Å; C1653-Q1746 VanDerWaalsContact SG-CG 3.51Å; C1653-C1748 WeakPolarHBondContact CA-SG 3.32Å; C1653-C1748 HydrophobicContact CB-CB 3.82Å; C1653-C1748 WeakPolarHBondContact CB-SG 3.4Å; C1653-C1748 WeakPolarHBondContact SG-CB 3.41Å; C1653-C1748 CovalentContact SG-SG 2.04Å; C1653-C1748 PolarHBondContact SG-SG 2.86Å |
| 1654 | P | 97.4 | Very high | 96.1 | Very high | 52 Ų | 52 | 55.7 Ų | 55.7 | 34% | 0.338 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 154.9 | 176.3 | -20.2 | 32.4 | 0 | 0 | 0 | 111.8 | I1641 G1656 W1657 | I1641-P1654 HydrophobicContact CD1-CG 4.34Å; P1654-G1656 PolarHBondContact O-N 2.91Å; P1654-W1657 HydrophobicContact CB-CG 4.37Å; P1654-W1657 WeakPolarHBondContact O-CB 3.42Å; P1654-W1657 PolarHBondContact O-N 2.84Å |
| 1655 | Q | 94.8 | Very high | 96.1 | Very high | 199 Ų | 199 | 53.9 Ų | 53.9 | 93% | 0.93 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 128.6 | 179.6 | -174.1 | 173.8 | -8.2 | 0 | 0 | 111 | ||
| 1656 | G | 93.3 | Very high | 96.1 | Very high | 33 Ų | 33 | 52.4 Ų | 52.4 | 34% | 0.34 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 8.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P1654 R1751 | P1654-G1656 PolarHBondContact O-N 2.91Å; G1656-R1751 VanDerWaalsContact O-CB 3.28Å; G1656-R1751 WeakPolarHBondContact O-CB 3.45Å; G1656-R1751 WeakPolarHBondContact O-CG 3.46Å; G1656-R1751 PolarHBondContact O-N 3.09Å |
| 1657 | W | 95.2 | Very high | 96.2 | Very high | 42 Ų | 42 | 50.4 Ų | 50.4 | 16% | 0.159 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 147.7 | 173.8 | -58.4 | 64.8 | 0 | 0 | 0 | 110.7 | Q1639 I1641 C1653 P1654 C1748 M1749 K1750 | Q1639-W1657 HydrophobicContact CB-CH2 4.08Å; Q1639-W1657 HydrophobicContact CB-CZ3 4.38Å; Q1639-W1657 WeakPolarHBondContact O-CZ3 3.3Å; I1641-W1657 HydrophobicContact CB-CZ3 4.24Å; I1641-W1657 HydrophobicContact CD1-CD2 4.34Å; I1641-W1657 HydrophobicContact CD1-CE3 4.02Å; I1641-W1657 HydrophobicContact CD1-CH2 3.86Å; I1641-W1657 HydrophobicContact CD1-CZ2 4.15Å; I1641-W1657 HydrophobicContact CD1-CZ3 3.79Å; I1641-W1657 HydrophobicContact CG1-CE3 3.91Å; I1641-W1657 HydrophobicContact CG1-CH2 4.11Å; I1641-W1657 HydrophobicContact CG1-CZ3 3.6Å; I1641-W1657 HydrophobicContact CG2-CH2 3.87Å; I1641-W1657 HydrophobicContact CG2-CZ3 3.9Å; C1653-W1657 HydrophobicContact CB-CB 4.16Å; P1654-W1657 HydrophobicContact CB-CG 4.37Å; P1654-W1657 WeakPolarHBondContact O-CB 3.42Å; P1654-W1657 PolarHBondContact O-N 2.84Å; W1657-C1748 HydrophobicContact CB-CB 4.11Å; W1657-C1748 HydrophobicContact CE3-CB 4.16Å; W1657-M1749 CarbonylContact C-O 3.5Å; W1657-M1749 WeakPolarHBondContact CA-O 3.47Å; W1657-M1749 VanDerWaalsContact CE3-C 3.49Å; W1657-K1750 HydrophobicContact CD2-CB 3.73Å; W1657-K1750 HydrophobicContact CD2-CG 4.09Å; W1657-K1750 VanDerWaalsContact CE3-CA 3.49Å; W1657-K1750 HydrophobicContact CE3-CB 3.68Å; W1657-K1750 HydrophobicContact CG-CB 4.43Å; W1657-K1750 HydrophobicContact CH2-CB 3.87Å; W1657-K1750 HydrophobicContact CH2-CD 4.32Å; W1657-K1750 HydrophobicContact CH2-CG 4.43Å; W1657-K1750 HydrophobicContact CZ2-CB 3.94Å; W1657-K1750 HydrophobicContact CZ2-CD 3.86Å; W1657-K1750 HydrophobicContact CZ2-CG 4.01Å; W1657-K1750 HydrophobicContact CZ3-CB 3.74Å |
| 1658 | D | 94.1 | Very high | 96.2 | Very high | 68 Ų | 68 | 52.4 Ų | 52.4 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 141.1 | 174.9 | -78.6 | -48 | 0 | 0 | 0 | 111.3 | C1748 M1749 R1751 | D1658-C1748 CarbonylContact O-C 3.45Å; D1658-C1748 VanDerWaalsContact O-CA 3.29Å; D1658-C1748 WeakPolarHBondContact O-CA 3.47Å; D1658-M1749 PolarHBondContact N-O 3.21Å; D1658-M1749 PolarHBondContact O-N 3.04Å; D1658-R1751 IonicContact OD1-CZ 2.74Å; D1658-R1751 VanDerWaalsContact OD1-CZ 3.27Å; D1658-R1751 IonicContact OD1-NE 3.71Å; D1658-R1751 PolarHBondContact OD1-NE 3.13Å; D1658-R1751 IonicContact OD1-NH2 2.62Å; D1658-R1751 PolarHBondContact OD1-NH2 2.98Å; D1658-R1751 WeakPolarHBondContact OD2-CG 3.29Å; D1658-R1751 IonicContact OD2-CZ 2.97Å; D1658-R1751 IonicContact OD2-NE 3.84Å; D1658-R1751 PolarHBondContact OD2-NE 3.49Å; D1658-R1751 IonicContact OD2-NH2 3.14Å |
| 1659 | A | 95.3 | Very high | 96.4 | Very high | 66 Ų | 66 | 49.5 Ų | 49.5 | 55% | 0.545 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 130.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | C1653 Q1746 | C1653-A1659 VanDerWaalsContact SG-CA 3.56Å; A1659-Q1746 HydrophobicContact CB-CG 4.29Å |
| 1660 | V | 94.3 | Very high | 96.4 | Very high | 30 Ų | 30 | 45.9 Ų | 45.9 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -51.1 | -174.6 | -162.8 | 0 | 0 | 0 | 0 | 111 | P1544 I1640 V1747 M1749 | P1544-V1660 HydrophobicContact CB-CG1 3.5Å; P1544-V1660 HydrophobicContact CG-CG1 3.28Å; I1640-V1660 HydrophobicContact CD1-CG2 4.28Å; V1660-V1747 HydrophobicContact CB-CG1 4.33Å; V1660-V1747 WeakPolarHBondContact CB-O 3.4Å; V1660-V1747 HydrophobicContact CG2-CG1 4.44Å; V1660-V1747 PolarHBondContact N-O 2.67Å; V1660-M1749 HydrophobicContact CG2-CB 3.59Å |
| 1661 | W | 95.8 | Very high | 96.2 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 8% | 0.076 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 170.2 | 167.2 | 67.5 | 86.9 | 0 | 0 | 0 | 110.8 | F1531 R1533 I1640 P1684 C1687 E1689 Q1746 V1747 | F1531-W1661 AromaticContact CD2-CH2 3.86Å; F1531-W1661 HydrophobicContact CD2-CH2 3.86Å; F1531-W1661 HydrophobicContact CD2-CZ3 4.09Å; F1531-W1661 AromaticContact CE2-CH2 3.83Å; F1531-W1661 HydrophobicContact CE2-CH2 3.83Å; F1531-W1661 AromaticContact CE2-CZ3 3.58Å; F1531-W1661 HydrophobicContact CE2-CZ3 3.58Å; F1531-W1661 HydrophobicContact CZ-CZ3 4.26Å; R1533-W1661 HydrophobicContact CB-CH2 4.36Å; R1533-W1661 HydrophobicContact CG-CH2 4.23Å; R1533-W1661 HydrophobicContact CG-CZ3 4.26Å; I1640-W1661 HydrophobicContact CD1-CZ3 4.29Å; W1661-P1684 HydrophobicContact CH2-CB 3.84Å; W1661-P1684 HydrophobicContact CZ2-CB 3.8Å; W1661-C1687 PolarHBondContact NE1-O 2.86Å; W1661-E1689 HydrophobicContact CB-CG 4.24Å; W1661-E1689 HydrophobicContact CG-CG 3.86Å; W1661-Q1746 VanDerWaalsContact C-NE2 3.35Å; W1661-Q1746 PolarHBondContact O-NE2 3.48Å; W1661-V1747 HydrophobicContact CD2-CB 3.8Å; W1661-V1747 HydrophobicContact CD2-CG1 4.25Å; W1661-V1747 HydrophobicContact CD2-CG2 4.04Å; W1661-V1747 VanDerWaalsContact CE2-CG2 3.42Å; W1661-V1747 HydrophobicContact CE3-CB 4.18Å; W1661-V1747 HydrophobicContact CE3-CG1 4.15Å; W1661-V1747 HydrophobicContact CG-CB 4.23Å; W1661-V1747 HydrophobicContact CG-CG2 4.43Å; W1661-V1747 HydrophobicContact CH2-CB 4.4Å; W1661-V1747 HydrophobicContact CH2-CG1 3.91Å; W1661-V1747 HydrophobicContact CH2-CG2 4.41Å; W1661-V1747 HydrophobicContact CZ2-CB 4.06Å; W1661-V1747 HydrophobicContact CZ2-CG1 4.02Å; W1661-V1747 HydrophobicContact CZ2-CG2 3.67Å; W1661-V1747 HydrophobicContact CZ3-CB 4.44Å; W1661-V1747 HydrophobicContact CZ3-CG1 3.97Å; W1661-V1747 PolarHBondContact O-N 3.18Å |
| 1662 | S | 97.4 | Very high | 95.9 | Very high | 40 Ų | 40 | 42.6 Ų | 42.6 | 28% | 0.28 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 150.4 | 172.4 | 78.7 | 0 | 0 | 0 | 0 | 110 | C1745 | S1662-C1745 WeakPolarHBondContact CA-O 3.47Å |
| 1663 | G | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | -150 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1688 R1744 C1745 | G1663-L1688 CarbonylContact C-O 3.52Å; G1663-L1688 WeakPolarHBondContact CA-O 3.42Å; G1663-R1744 PolarHBondContact O-NE 3.47Å; G1663-R1744 PolarHBondContact O-NH2 3.13Å; G1663-C1745 PolarHBondContact N-O 3.4Å; G1663-C1745 PolarHBondContact O-N 2.79Å |
| 1664 | Y | 98.1 | Very high | 95.1 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 12% | 0.122 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 141.8 | 178.4 | -57.6 | -98.4 | 0 | 0 | 0 | 109.5 | F1666 L1688 F1691 K1739 I1742 C1745 | Y1664-F1666 PolarHBondContact O-N 3.38Å; Y1664-L1688 PolarHBondContact N-O 3.18Å; Y1664-L1688 PolarHBondContact O-N 3.21Å; Y1664-F1691 HydrophobicContact CD1-CB 3.83Å; Y1664-F1691 HydrophobicContact CD2-CB 3.66Å; Y1664-F1691 HydrophobicContact CE1-CB 4.12Å; Y1664-F1691 HydrophobicContact CE2-CB 3.99Å; Y1664-F1691 HydrophobicContact CG-CB 3.59Å; Y1664-K1739 HydrophobicContact CE1-CB 4.31Å; Y1664-K1739 HydrophobicContact CE1-CD 4.15Å; Y1664-K1739 HydrophobicContact CE1-CG 4.16Å; Y1664-I1742 HydrophobicContact CD1-CG2 4.09Å; Y1664-C1745 VanDerWaalsContact C-SG 3.52Å; Y1664-C1745 PolarHBondContact N-SG 2.99Å |
| 1665 | S | 98.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 92.2 | -168.4 | -51.9 | 0 | 0 | 0 | 0 | 111.7 | H1644 S1686 W1715 L1716 S1743 R1744 | H1644-S1665 WeakPolarHBondContact ND1-CB 3.49Å; H1644-S1665 PolarHBondContact ND1-OG 3.15Å; S1665-S1686 CarbonylContact C-O 3.47Å; S1665-S1686 WeakPolarHBondContact CA-O 3.07Å; S1665-W1715 CarbonylContact O-C 3.53Å; S1665-W1715 WeakPolarHBondContact O-CA 3.17Å; S1665-W1715 WeakPolarHBondContact O-CB 3.42Å; S1665-L1716 PolarHBondContact O-N 2.88Å; S1665-S1743 WeakPolarHBondContact CB-O 3.47Å; S1665-S1743 PolarHBondContact N-O 3.42Å; S1665-S1743 VanDerWaalsContact OG-CB 3.31Å; S1665-S1743 WeakPolarHBondContact OG-CB 3.27Å; S1665-S1743 PolarHBondContact OG-O 2.86Å; S1665-S1743 PolarHBondContact OG-OG 3.32Å; S1665-R1744 PolarHBondContact OG-O 3.28Å; S1665-R1744 VanDerWaalsContact OG-O 3.05Å |
| 1666 | F | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 133.7 | 174.1 | -179.3 | -129.6 | 0 | 0 | 0 | 109.6 | L1557 L1570 Y1664 M1668 H1669 Q1679 S1686 L1688 P1695 A1713 W1715 | L1557-F1666 HydrophobicContact CD1-CE1 4.11Å; L1557-F1666 HydrophobicContact CD1-CZ 4.46Å; L1570-F1666 HydrophobicContact CD1-CD1 4.09Å; L1570-F1666 HydrophobicContact CD1-CE1 3.86Å; Y1664-F1666 PolarHBondContact O-N 3.38Å; F1666-M1668 WeakPolarHBondContact CE2-O 3.49Å; F1666-H1669 HydrophobicContact CE2-CB 4.26Å; F1666-H1669 HydrophobicContact CZ-CB 4.01Å; F1666-H1669 AromaticContact CZ-ND1 3.48Å; F1666-H1669 WeakPolarHBondContact CZ-ND1 3.38Å; F1666-Q1679 HydrophobicContact CD1-CG 3.8Å; F1666-Q1679 HydrophobicContact CE1-CG 3.91Å; F1666-S1686 PolarHBondContact N-O 2.89Å; F1666-S1686 VanDerWaalsContact O-CA 3.27Å; F1666-S1686 WeakPolarHBondContact O-CA 3.32Å; F1666-S1686 WeakPolarHBondContact O-CB 3.39Å; F1666-L1688 HydrophobicContact CB-CD1 3.98Å; F1666-L1688 HydrophobicContact CB-CG 4.19Å; F1666-L1688 HydrophobicContact CD1-CD1 3.68Å; F1666-L1688 HydrophobicContact CD1-CG 4.18Å; F1666-L1688 HydrophobicContact CD2-CD1 4.46Å; F1666-L1688 HydrophobicContact CE1-CD1 4.22Å; F1666-L1688 HydrophobicContact CG-CD1 3.8Å; F1666-L1688 HydrophobicContact CG-CG 4.42Å; F1666-P1695 HydrophobicContact CE2-CG 4.11Å; F1666-P1695 HydrophobicContact CZ-CG 4.31Å; F1666-A1713 HydrophobicContact CD2-CB 4.49Å; F1666-A1713 HydrophobicContact CE2-CB 3.87Å; F1666-W1715 HydrophobicContact CB-CE3 3.93Å; F1666-W1715 HydrophobicContact CB-CH2 4.22Å; F1666-W1715 HydrophobicContact CB-CZ3 3.73Å; F1666-W1715 HydrophobicContact CD2-CD2 4.4Å; F1666-W1715 HydrophobicContact CD2-CH2 4.34Å; F1666-W1715 HydrophobicContact CD2-CZ2 4.19Å; F1666-W1715 HydrophobicContact CG-CZ3 4.47Å |
| 1667 | I | 97.1 | Very high | 94.7 | Very high | 50 Ų | 50 | 34.6 Ų | 34.6 | 26% | 0.256 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | -37.7 | -175.2 | -174.2 | 171.4 | 0 | 0 | 0 | 114 | G1678 Q1679 L1681 F1714 L1716 | I1667-G1678 CarbonylContact O-C 3.55Å; I1667-G1678 WeakPolarHBondContact O-CA 3.26Å; I1667-Q1679 PolarHBondContact O-N 3.32Å; I1667-L1681 HydrophobicContact CB-CD2 4.15Å; I1667-L1681 HydrophobicContact CD1-CD1 4.07Å; I1667-L1681 HydrophobicContact CD1-CD2 4.07Å; I1667-L1681 HydrophobicContact CD1-CG 4.31Å; I1667-L1681 HydrophobicContact CG1-CD2 3.97Å; I1667-L1681 HydrophobicContact CG1-CG 4.45Å; I1667-F1714 HydrophobicContact CG2-CB 4.1Å; I1667-F1714 WeakPolarHBondContact CG2-O 3.19Å; I1667-F1714 PolarHBondContact N-O 3.22Å; I1667-L1716 HydrophobicContact CD1-CD2 3.95Å |
| 1668 | M | 96.4 | Very high | 94.7 | Very high | 74 Ų | 74 | 34.5 Ų | 34.5 | 37% | 0.365 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 171.9 | 176 | 65.1 | 178.3 | -67.5 | 0 | 0 | 112.1 | F1666 T1670 T1677 F1714 | F1666-M1668 WeakPolarHBondContact CE2-O 3.49Å; M1668-T1670 HydrophobicContact CE-CG2 4.21Å; M1668-T1677 VanDerWaalsContact CA-O 3.27Å; M1668-T1677 WeakPolarHBondContact CA-O 3.25Å; M1668-T1677 WeakPolarHBondContact CB-O 3.24Å; M1668-F1714 HydrophobicContact CG-CB 3.57Å; M1668-F1714 HydrophobicContact CG-CD2 3.67Å; M1668-F1714 HydrophobicContact CG-CG 3.74Å; M1668-F1714 PolarHBondContact O-N 2.96Å; M1668-F1714 HydrophobicContact SD-CD2 4.45Å; M1668-F1714 HydrophobicContact SD-CG 4.45Å |
| 1669 | H | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 158.2 | 178.8 | 51.7 | -91.5 | 0 | 0 | 0 | 111.2 | L1557 Y1558 F1666 G1676 T1677 F1696 H1712 | L1557-H1669 VanDerWaalsContact CG-CE1 3.48Å; L1557-H1669 WeakPolarHBondContact CG-CE1 3.34Å; Y1558-H1669 AromaticContact CD1-CD2 3.46Å; Y1558-H1669 VanDerWaalsContact CD1-CD2 3.46Å; Y1558-H1669 WeakPolarHBondContact CD1-CD2 3.46Å; Y1558-H1669 AromaticContact CD1-NE2 3.1Å; Y1558-H1669 WeakPolarHBondContact CD1-NE2 3.26Å; Y1558-H1669 AromaticContact CE1-CD2 3.19Å; Y1558-H1669 WeakPolarHBondContact CE1-CD2 3.43Å; Y1558-H1669 AromaticContact CE1-NE2 3.41Å; Y1558-H1669 WeakPolarHBondContact CE1-NE2 3.39Å; Y1558-H1669 AromaticContact CG-NE2 3.79Å; Y1558-H1669 AromaticContact CZ-CD2 3.93Å; F1666-H1669 HydrophobicContact CE2-CB 4.26Å; F1666-H1669 HydrophobicContact CZ-CB 4.01Å; F1666-H1669 AromaticContact CZ-ND1 3.48Å; F1666-H1669 WeakPolarHBondContact CZ-ND1 3.38Å; H1669-G1676 CarbonylContact O-C 3.57Å; H1669-G1676 VanDerWaalsContact O-C 3.3Å; H1669-G1676 VanDerWaalsContact O-CA 3.3Å; H1669-G1676 WeakPolarHBondContact O-CA 3.42Å; H1669-T1677 PolarHBondContact CD2-N 3.34Å; H1669-T1677 PolarHBondContact CE1-O 2.99Å; H1669-T1677 PolarHBondContact CE1-OG1 3.14Å; H1669-T1677 PolarHBondContact N-O 2.89Å; H1669-T1677 VanDerWaalsContact N-O 3.07Å; H1669-T1677 PolarHBondContact ND1-O 3.37Å; H1669-T1677 PolarHBondContact NE2-N 2.74Å; H1669-T1677 PolarHBondContact NE2-OG1 2.98Å; H1669-T1677 PolarHBondContact O-N 3Å; H1669-F1696 HydrophobicContact CB-CD1 4.17Å; H1669-F1696 HydrophobicContact CB-CE1 3.66Å; H1669-F1696 HydrophobicContact CB-CZ 4.22Å; H1669-H1712 CarbonylContact C-O 3.6Å; H1669-H1712 VanDerWaalsContact CA-O 3.25Å; H1669-H1712 WeakPolarHBondContact CA-O 3.11Å |
| 1670 | T | 96 | Very high | 94.8 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 148.8 | 175.2 | 59 | 0 | 0 | 0 | 0 | 111.1 | M1668 A1674 E1675 N1711 H1712 F1714 | M1668-T1670 HydrophobicContact CE-CG2 4.21Å; T1670-A1674 WeakPolarHBondContact CG2-O 3.09Å; T1670-E1675 CarbonylContact C-O 3.44Å; T1670-E1675 WeakPolarHBondContact CA-O 3.15Å; T1670-N1711 WeakPolarHBondContact O-CA 2.92Å; T1670-H1712 PolarHBondContact N-O 3.28Å; T1670-H1712 PolarHBondContact O-N 3.04Å; T1670-F1714 HydrophobicContact CG2-CE2 4.07Å |
| 1671 | A | 94.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | trans | -145.9 | -118.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1558 Y1604 G1673 A1674 E1675 F1696 N1711 | Y1558-A1671 WeakPolarHBondContact OH-CB 2.9Å; Y1558-A1671 PolarHBondContact OH-N 2.9Å; Y1604-A1671 HydrophobicContact CD1-CB 4.2Å; Y1604-A1671 HydrophobicContact CE1-CB 3.39Å; A1671-G1673 PolarHBondContact O-N 3.45Å; A1671-A1674 WeakPolarHBondContact O-CA 3.09Å; A1671-A1674 PolarHBondContact O-N 3.25Å; A1671-E1675 PolarHBondContact N-O 2.85Å; A1671-F1696 HydrophobicContact CB-CE2 3.95Å; A1671-F1696 HydrophobicContact CB-CZ 4.24Å; A1671-N1711 HydrophobicContact CB-CB 4.5Å; A1671-N1711 WeakPolarHBondContact CB-OD1 3.45Å | ||
| 1672 | A | 90 | Very high | 95 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -59.6 | 126.7 | -175 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1560 Y1602 Y1604 A1674 E1675 | Q1560-A1672 PolarHBondContact NE2-O 3.25Å; Y1602-A1672 HydrophobicContact CD1-CB 4.46Å; Y1602-A1672 HydrophobicContact CE1-CB 4.22Å; Y1604-A1672 VanDerWaalsContact OH-CB 3.29Å; Y1604-A1672 WeakPolarHBondContact OH-CB 3.29Å; Y1604-A1672 PolarHBondContact OH-N 3.01Å; A1672-A1674 PolarHBondContact O-N 3Å; A1672-E1675 PolarHBondContact O-N 2.89Å |
| 1673 | G | 88.8 | Confident | 95 | Very high | 75 Ų | 75 | 37.9 Ų | 37.9 | 77% | 0.773 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | 74.2 | 5.6 | -174 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1671 E1675 | A1671-G1673 PolarHBondContact O-N 3.45Å; G1673-E1675 PolarHBondContact O-N 3.34Å |
| 1674 | A | 89.2 | Confident | 95 | Very high | 75 Ų | 75 | 38.3 Ų | 38.3 | 62% | 0.62 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | 63.4 | 15.1 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1670 A1671 A1672 | T1670-A1674 WeakPolarHBondContact CG2-O 3.09Å; A1671-A1674 WeakPolarHBondContact O-CA 3.09Å; A1671-A1674 PolarHBondContact O-N 3.25Å; A1672-A1674 PolarHBondContact O-N 3Å |
| 1675 | E | 91.4 | Very high | 95 | Very high | 71 Ų | 71 | 37 Ų | 37 | 33% | 0.332 | 24% | 0.238 | S | C | . | . | trans | -77.6 | 153.1 | 172.4 | -73.7 | -81.9 | 137.9 | 0 | 0 | 111.7 | Y1558 G1563 S1565 T1670 A1671 A1672 G1673 | Y1558-E1675 PolarHBondContact OH-O 3.4Å; G1563-E1675 WeakPolarHBondContact O-CG 3.26Å; S1565-E1675 WeakPolarHBondContact CB-OE2 3.49Å; S1565-E1675 PolarHBondContact N-OE2 3.1Å; S1565-E1675 PolarHBondContact OG-OE2 3.01Å; T1670-E1675 CarbonylContact C-O 3.44Å; T1670-E1675 WeakPolarHBondContact CA-O 3.15Å; A1671-E1675 PolarHBondContact N-O 2.85Å; A1672-E1675 PolarHBondContact O-N 2.89Å; G1673-E1675 PolarHBondContact O-N 3.34Å | ||
| 1676 | G | 91.2 | Very high | 95 | Very high | 18 Ų | 18 | 37 Ų | 37 | 19% | 0.186 | 24% | 0.238 | C | C | . | . | trans | 152.5 | 170 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1565 H1669 | S1565-G1676 PolarHBondContact OG-N 3.18Å; H1669-G1676 CarbonylContact O-C 3.57Å; H1669-G1676 VanDerWaalsContact O-C 3.3Å; H1669-G1676 VanDerWaalsContact O-CA 3.3Å; H1669-G1676 WeakPolarHBondContact O-CA 3.42Å | ||
| 1677 | T | 95.4 | Very high | 95 | Very high | 27 Ų | 27 | 37.1 Ų | 37.1 | 17% | 0.166 | 24% | 0.238 | C | C | . | . | trans | -123.2 | 170.6 | -167.8 | 69.3 | 0 | 0 | 0 | 0 | 114.3 | G1567 M1668 H1669 | G1567-T1677 WeakPolarHBondContact CA-OG1 3.09Å; M1668-T1677 VanDerWaalsContact CA-O 3.27Å; M1668-T1677 WeakPolarHBondContact CA-O 3.25Å; M1668-T1677 WeakPolarHBondContact CB-O 3.24Å; H1669-T1677 PolarHBondContact CD2-N 3.34Å; H1669-T1677 PolarHBondContact CE1-O 2.99Å; H1669-T1677 PolarHBondContact CE1-OG1 3.14Å; H1669-T1677 PolarHBondContact N-O 2.89Å; H1669-T1677 VanDerWaalsContact N-O 3.07Å; H1669-T1677 PolarHBondContact ND1-O 3.37Å; H1669-T1677 PolarHBondContact NE2-N 2.74Å; H1669-T1677 PolarHBondContact NE2-OG1 2.98Å; H1669-T1677 PolarHBondContact O-N 3Å | ||
| 1678 | G | 93.8 | Very high | 95 | Very high | 41 Ų | 41 | 35 Ų | 35 | 42% | 0.423 | 23% | 0.228 | S | C | . | . | B | Isolated β-bridge | trans | -83.8 | -176.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1667 | I1667-G1678 CarbonylContact O-C 3.55Å; I1667-G1678 WeakPolarHBondContact O-CA 3.26Å |
| 1679 | Q | 96.4 | Very high | 95 | Very high | 14 Ų | 14 | 34.6 Ų | 34.6 | 7% | 0.065 | 23% | 0.225 | C | C | . | . | trans | -127 | 148.1 | 159.1 | -61.2 | -66.3 | -78.3 | 0 | 0 | 107 | Q1568 F1666 I1667 | Q1568-Q1679 PolarHBondContact O-NE2 3.19Å; Q1568-Q1679 VanDerWaalsContact O-NE2 3.16Å; F1666-Q1679 HydrophobicContact CD1-CG 3.8Å; F1666-Q1679 HydrophobicContact CE1-CG 3.91Å; I1667-Q1679 PolarHBondContact O-N 3.32Å | ||
| 1680 | D | 96.2 | Very high | 95 | Very high | 78 Ų | 78 | 36 Ų | 36 | 42% | 0.417 | 23% | 0.233 | S | C | . | . | trans | -72.8 | 129.9 | 170.6 | -170.3 | -18.6 | 0 | 0 | 0 | 109.5 | D1569 Q1682 S1683 S1686 | D1569-D1680 PolarHBondContact OD2-N 2.91Å; D1680-Q1682 PolarHBondContact O-N 3.44Å; D1680-Q1682 WeakPolarHBondContact OD1-CG 3.34Å; D1680-Q1682 PolarHBondContact OD1-N 2.81Å; D1680-Q1682 PolarHBondContact OD2-NE2 2.75Å; D1680-S1683 VanDerWaalsContact O-CB 3.3Å; D1680-S1683 WeakPolarHBondContact O-CB 3.22Å; D1680-S1683 PolarHBondContact O-N 2.78Å; D1680-S1686 WeakPolarHBondContact O-CB 2.86Å | ||
| 1681 | L | 97.3 | Very high | 94.9 | Very high | 62 Ų | 62 | 36 Ų | 36 | 33% | 0.325 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22.1 | 179.9 | -67.8 | 178.7 | 0 | 0 | 0 | 113 | H1644 I1667 S1686 L1716 | H1644-L1681 PolarHBondContact CD2-O 2.96Å; H1644-L1681 PolarHBondContact NE2-O 3.49Å; I1667-L1681 HydrophobicContact CB-CD2 4.15Å; I1667-L1681 HydrophobicContact CD1-CD1 4.07Å; I1667-L1681 HydrophobicContact CD1-CD2 4.07Å; I1667-L1681 HydrophobicContact CD1-CG 4.31Å; I1667-L1681 HydrophobicContact CG1-CD2 3.97Å; I1667-L1681 HydrophobicContact CG1-CG 4.45Å; L1681-S1686 PolarHBondContact O-OG 2.67Å; L1681-L1716 HydrophobicContact CD1-CD1 4.23Å; L1681-L1716 HydrophobicContact CD2-CD1 3.93Å; L1681-L1716 HydrophobicContact CD2-CG 4.4Å |
| 1682 | Q | 97 | Very high | 94.8 | Very high | 127 Ų | 127 | 37.4 Ų | 37.4 | 59% | 0.593 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -16.4 | 171.4 | 80 | -165.2 | -44.5 | 0 | 0 | 113.1 | I1641 A1642 D1680 | I1641-Q1682 CarbonylContact C-O 3.5Å; I1641-Q1682 VanDerWaalsContact CA-O 3.31Å; I1641-Q1682 WeakPolarHBondContact CA-O 3.24Å; A1642-Q1682 PolarHBondContact N-O 2.92Å; D1680-Q1682 PolarHBondContact O-N 3.44Å; D1680-Q1682 WeakPolarHBondContact OD1-CG 3.34Å; D1680-Q1682 PolarHBondContact OD1-N 2.81Å; D1680-Q1682 PolarHBondContact OD2-NE2 2.75Å |
| 1683 | S | 97.3 | Very high | 94.9 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -79.1 | 144.2 | -178.2 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | D1569 G1571 A1642 D1680 G1685 S1686 | D1569-S1683 VanDerWaalsContact OD1-CB 3.29Å; D1569-S1683 WeakPolarHBondContact OD1-CB 3.31Å; D1569-S1683 PolarHBondContact OD1-OG 3.01Å; G1571-S1683 WeakPolarHBondContact CA-OG 3.38Å; A1642-S1683 WeakPolarHBondContact CB-O 3.31Å; D1680-S1683 VanDerWaalsContact O-CB 3.3Å; D1680-S1683 WeakPolarHBondContact O-CB 3.22Å; D1680-S1683 PolarHBondContact O-N 2.78Å; S1683-G1685 PolarHBondContact O-N 3.43Å; S1683-G1685 PolarHBondContact OG-N 3.17Å; S1683-S1686 PolarHBondContact O-N 3.49Å; S1683-S1686 VanDerWaalsContact O-N 3.1Å; S1683-S1686 PolarHBondContact O-OG 3.21Å |
| 1684 | P | 97.5 | Very high | 95.2 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 7% | 0.065 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -49.8 | -24.7 | 167.4 | -26.7 | 34.9 | 0 | 0 | 0 | 114.6 | F1531 I1640 W1661 S1686 C1687 V1747 | F1531-P1684 HydrophobicContact CB-CG 4.42Å; I1640-P1684 HydrophobicContact CD1-CG 4.24Å; I1640-P1684 HydrophobicContact CG1-CG 4.08Å; I1640-P1684 HydrophobicContact CG2-CG 3.88Å; W1661-P1684 HydrophobicContact CH2-CB 3.84Å; W1661-P1684 HydrophobicContact CZ2-CB 3.8Å; P1684-S1686 VanDerWaalsContact C-N 3.28Å; P1684-S1686 PolarHBondContact O-N 3.04Å; P1684-C1687 PolarHBondContact O-N 3.31Å; P1684-V1747 HydrophobicContact CB-CG1 4.06Å; P1684-V1747 HydrophobicContact CB-CG2 4.23Å; P1684-V1747 HydrophobicContact CG-CG1 4.14Å |
| 1685 | G | 97.2 | Very high | 95.5 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -65.1 | -24 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1570 S1683 C1687 | L1570-G1685 VanDerWaalsContact C-CA 3.48Å; S1683-G1685 PolarHBondContact O-N 3.43Å; S1683-G1685 PolarHBondContact OG-N 3.17Å; G1685-C1687 PolarHBondContact O-N 2.9Å |
| 1686 | S | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -72.5 | -8 | 172.2 | 71.7 | 0 | 0 | 0 | 0 | 113.3 | A1642 H1644 S1665 F1666 D1680 L1681 S1683 P1684 | A1642-S1686 VanDerWaalsContact CB-OG 3.28Å; A1642-S1686 WeakPolarHBondContact CB-OG 3.47Å; H1644-S1686 PolarHBondContact CE1-OG 3.14Å; H1644-S1686 PolarHBondContact NE2-OG 3.13Å; S1665-S1686 CarbonylContact C-O 3.47Å; S1665-S1686 WeakPolarHBondContact CA-O 3.07Å; F1666-S1686 PolarHBondContact N-O 2.89Å; F1666-S1686 VanDerWaalsContact O-CA 3.27Å; F1666-S1686 WeakPolarHBondContact O-CA 3.32Å; F1666-S1686 WeakPolarHBondContact O-CB 3.39Å; D1680-S1686 WeakPolarHBondContact O-CB 2.86Å; L1681-S1686 PolarHBondContact O-OG 2.67Å; S1683-S1686 PolarHBondContact O-N 3.49Å; S1683-S1686 VanDerWaalsContact O-N 3.1Å; S1683-S1686 PolarHBondContact O-OG 3.21Å; P1684-S1686 VanDerWaalsContact C-N 3.28Å; P1684-S1686 PolarHBondContact O-N 3.04Å |
| 1687 | C | 98.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 70.6 | -170.2 | -166.3 | 0 | 0 | 0 | 0 | 113.3 | A1642 W1661 P1684 G1685 C1745 V1747 | A1642-C1687 HydrophobicContact CB-CB 4.16Å; W1661-C1687 PolarHBondContact NE1-O 2.86Å; P1684-C1687 PolarHBondContact O-N 3.31Å; G1685-C1687 PolarHBondContact O-N 2.9Å; C1687-C1745 WeakPolarHBondContact CA-SG 3.5Å; C1687-C1745 HydrophobicContact CB-CB 3.84Å; C1687-C1745 WeakPolarHBondContact CB-SG 3.21Å; C1687-C1745 VanDerWaalsContact SG-C 3.51Å; C1687-C1745 WeakPolarHBondContact SG-CB 3.41Å; C1687-C1745 CovalentContact SG-SG 2.03Å; C1687-C1745 PolarHBondContact SG-SG 2.76Å; C1687-V1747 HydrophobicContact CB-CG2 3.54Å |
| 1688 | L | 97.8 | Very high | 96.1 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 128.5 | 175.4 | -71.2 | 178.9 | 0 | 0 | 0 | 111.5 | Q1536 L1570 L1606 G1663 Y1664 F1666 D1690 P1695 W1715 | Q1536-L1688 HydrophobicContact CG-CD2 4.42Å; L1570-L1688 HydrophobicContact CD1-CD2 4.16Å; L1606-L1688 HydrophobicContact CD1-CD2 3.96Å; L1606-L1688 HydrophobicContact CD2-CD1 4.46Å; G1663-L1688 CarbonylContact C-O 3.52Å; G1663-L1688 WeakPolarHBondContact CA-O 3.42Å; Y1664-L1688 PolarHBondContact N-O 3.18Å; Y1664-L1688 PolarHBondContact O-N 3.21Å; F1666-L1688 HydrophobicContact CB-CD1 3.98Å; F1666-L1688 HydrophobicContact CB-CG 4.19Å; F1666-L1688 HydrophobicContact CD1-CD1 3.68Å; F1666-L1688 HydrophobicContact CD1-CG 4.18Å; F1666-L1688 HydrophobicContact CD2-CD1 4.46Å; F1666-L1688 HydrophobicContact CE1-CD1 4.22Å; F1666-L1688 HydrophobicContact CG-CD1 3.8Å; F1666-L1688 HydrophobicContact CG-CG 4.42Å; L1688-D1690 VanDerWaalsContact C-N 3.33Å; L1688-D1690 PolarHBondContact O-N 3.29Å; L1688-P1695 HydrophobicContact CD1-CB 4.14Å; L1688-P1695 HydrophobicContact CD1-CG 4.41Å; L1688-W1715 HydrophobicContact CB-CH2 4.34Å; L1688-W1715 HydrophobicContact CB-CZ3 4.34Å; L1688-W1715 HydrophobicContact CD1-CH2 3.83Å; L1688-W1715 HydrophobicContact CD1-CZ3 4.39Å |
| 1689 | E | 96.3 | Very high | 96.3 | Very high | 64 Ų | 64 | 28 Ų | 28 | 30% | 0.299 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -64.4 | -34.5 | -175.8 | -68.2 | -175.1 | -112 | 0 | 0 | 112.6 | R1533 W1661 | R1533-E1689 IonicContact CZ-OE1 3.93Å; R1533-E1689 VanDerWaalsContact CZ-OE1 3.27Å; R1533-E1689 IonicContact CZ-OE2 3.92Å; R1533-E1689 IonicContact NE-OE1 2.81Å; R1533-E1689 PolarHBondContact NE-OE1 2.91Å; R1533-E1689 IonicContact NH2-OE1 2.67Å; R1533-E1689 PolarHBondContact NH2-OE1 2.04Å; R1533-E1689 IonicContact NH2-OE2 3.13Å; R1533-E1689 PolarHBondContact NH2-OE2 3.49Å; W1661-E1689 HydrophobicContact CB-CG 4.24Å; W1661-E1689 HydrophobicContact CG-CG 3.86Å |
| 1690 | D | 94.7 | Very high | 96.2 | Very high | 31 Ų | 31 | 28 Ų | 28 | 17% | 0.166 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -122.6 | 113.9 | -179.2 | -174.1 | 38.4 | 0 | 0 | 0 | 112.9 | Q1536 K1609 L1688 R1692 K1739 | Q1536-D1690 PolarHBondContact NE2-O 3.44Å; Q1536-D1690 PolarHBondContact OE1-O 3.25Å; K1609-D1690 WeakPolarHBondContact CE-OD2 3.37Å; K1609-D1690 IonicContact NZ-OD2 3.42Å; K1609-D1690 PolarHBondContact NZ-OD2 3.46Å; L1688-D1690 VanDerWaalsContact C-N 3.33Å; L1688-D1690 PolarHBondContact O-N 3.29Å; D1690-R1692 PolarHBondContact O-N 3.17Å; D1690-R1692 IonicContact OD2-CZ 2.66Å; D1690-R1692 VanDerWaalsContact OD2-CZ 3.26Å; D1690-R1692 IonicContact OD2-NE 2.86Å; D1690-R1692 PolarHBondContact OD2-NE 3.21Å; D1690-R1692 IonicContact OD2-NH2 2.73Å; D1690-R1692 PolarHBondContact OD2-NH2 2.63Å; D1690-K1739 IonicContact OD1-NZ 2.64Å |
| 1691 | F | 95.4 | Very high | 96 | Very high | 19 Ų | 19 | 24.7 Ų | 24.7 | 8% | 0.083 | 13% | 0.134 | C | C | . | . | trans | -63.6 | 129 | 174.5 | 165.5 | -99.1 | 0 | 0 | 0 | 112.4 | Y1664 A1693 W1715 L1738 K1739 I1742 | Y1664-F1691 HydrophobicContact CD1-CB 3.83Å; Y1664-F1691 HydrophobicContact CD2-CB 3.66Å; Y1664-F1691 HydrophobicContact CE1-CB 4.12Å; Y1664-F1691 HydrophobicContact CE2-CB 3.99Å; Y1664-F1691 HydrophobicContact CG-CB 3.59Å; F1691-A1693 HydrophobicContact CZ-CB 4.43Å; F1691-W1715 AromaticContact CD2-CD2 3.88Å; F1691-W1715 HydrophobicContact CD2-CD2 3.88Å; F1691-W1715 AromaticContact CD2-CE2 3.66Å; F1691-W1715 HydrophobicContact CD2-CE3 4.09Å; F1691-W1715 AromaticContact CD2-CH2 3.95Å; F1691-W1715 HydrophobicContact CD2-CH2 3.95Å; F1691-W1715 AromaticContact CD2-CZ2 3.72Å; F1691-W1715 HydrophobicContact CD2-CZ2 3.72Å; F1691-W1715 HydrophobicContact CD2-CZ3 4.13Å; F1691-W1715 HydrophobicContact CE2-CD2 4.07Å; F1691-W1715 AromaticContact CE2-CE2 3.66Å; F1691-W1715 HydrophobicContact CE2-CG 4.36Å; F1691-W1715 HydrophobicContact CE2-CZ2 4.03Å; F1691-W1715 AromaticContact CE2-NE1 3.67Å; F1691-L1738 HydrophobicContact CE1-CB 3.67Å; F1691-L1738 HydrophobicContact CE1-CD1 3.92Å; F1691-L1738 HydrophobicContact CE1-CG 4.39Å; F1691-L1738 HydrophobicContact CZ-CB 3.94Å; F1691-L1738 HydrophobicContact CZ-CD1 4.06Å; F1691-L1738 HydrophobicContact CZ-CG 4.45Å; F1691-K1739 HydrophobicContact CB-CG 4.44Å; F1691-K1739 HydrophobicContact CD1-CD 4.35Å; F1691-K1739 HydrophobicContact CD1-CG 3.63Å; F1691-K1739 HydrophobicContact CE1-CG 4.33Å; F1691-K1739 HydrophobicContact CG-CG 4.28Å; F1691-I1742 HydrophobicContact CD1-CD1 4.43Å; F1691-I1742 HydrophobicContact CD2-CD1 3.43Å; F1691-I1742 VanDerWaalsContact CD2-CD1 3.43Å; F1691-I1742 HydrophobicContact CE1-CD1 4.18Å; F1691-I1742 HydrophobicContact CE2-CD1 3.13Å; F1691-I1742 HydrophobicContact CG-CD1 4.09Å; F1691-I1742 HydrophobicContact CZ-CD1 3.54Å | ||
| 1692 | R | 92 | Very high | 95.8 | Very high | 30 Ų | 30 | 29.2 Ų | 29.2 | 11% | 0.113 | 15% | 0.147 | C | C | . | . | trans | -125.1 | 145.6 | 167.6 | -50 | -72.3 | 170 | 62 | 14.3 | 108.4 | Q1536 A1607 T1608 D1690 I1694 P1695 W1715 | Q1536-R1692 VanDerWaalsContact CB-NH2 3.3Å; Q1536-R1692 PolarHBondContact O-NH1 2.7Å; Q1536-R1692 PolarHBondContact O-NH2 2.76Å; A1607-R1692 PolarHBondContact O-NH1 2.69Å; T1608-R1692 PolarHBondContact O-NH1 2.83Å; D1690-R1692 PolarHBondContact O-N 3.17Å; D1690-R1692 IonicContact OD2-CZ 2.66Å; D1690-R1692 VanDerWaalsContact OD2-CZ 3.26Å; D1690-R1692 IonicContact OD2-NE 2.86Å; D1690-R1692 PolarHBondContact OD2-NE 3.21Å; D1690-R1692 IonicContact OD2-NH2 2.73Å; D1690-R1692 PolarHBondContact OD2-NH2 2.63Å; R1692-I1694 WeakPolarHBondContact CB-O 3.08Å; R1692-I1694 PolarHBondContact O-N 3.14Å; R1692-P1695 HydrophobicContact CB-CB 4.04Å; R1692-P1695 HydrophobicContact CG-CB 4.29Å; R1692-W1715 WeakPolarHBondContact O-CZ2 3.02Å | ||
| 1693 | A | 91.9 | Very high | 95.7 | Very high | 61 Ų | 61 | 24.3 Ų | 24.3 | 50% | 0.504 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -61.6 | -36.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | F1691 L1738 | F1691-A1693 HydrophobicContact CZ-CB 4.43Å; A1693-L1738 HydrophobicContact CB-CD1 4.43Å |
| 1694 | I | 94.5 | Very high | 95.6 | Very high | 59 Ų | 59 | 24.5 Ų | 24.5 | 30% | 0.303 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -130.9 | 106.7 | 170 | -55.9 | 173.5 | 0 | 0 | 0 | 106.4 | R1692 F1696 N1711 | R1692-I1694 WeakPolarHBondContact CB-O 3.08Å; R1692-I1694 PolarHBondContact O-N 3.14Å; I1694-F1696 VanDerWaalsContact C-N 3.33Å; I1694-F1696 HydrophobicContact CG2-CD1 4.29Å; I1694-F1696 HydrophobicContact CG2-CE1 4.22Å; I1694-F1696 WeakPolarHBondContact CG2-O 3.1Å; I1694-N1711 HydrophobicContact CD1-CB 4.32Å; I1694-N1711 VanDerWaalsContact CD1-O 3.32Å; I1694-N1711 WeakPolarHBondContact CD1-O 3.1Å; I1694-N1711 WeakPolarHBondContact CG1-O 3.23Å; I1694-N1711 HydrophobicContact CG2-CB 3.88Å |
| 1695 | P | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -89.1 | 8.3 | -176.1 | 36 | -35.5 | 0 | 0 | 0 | 113.6 | L1606 A1607 F1666 L1688 R1692 A1713 W1715 | L1606-P1695 CarbonylContact C-O 3.51Å; L1606-P1695 WeakPolarHBondContact CA-O 3.36Å; L1606-P1695 HydrophobicContact CD2-CB 4.37Å; L1606-P1695 WeakPolarHBondContact CD2-O 3.26Å; A1607-P1695 PolarHBondContact N-O 3.14Å; F1666-P1695 HydrophobicContact CE2-CG 4.11Å; F1666-P1695 HydrophobicContact CZ-CG 4.31Å; L1688-P1695 HydrophobicContact CD1-CB 4.14Å; L1688-P1695 HydrophobicContact CD1-CG 4.41Å; R1692-P1695 HydrophobicContact CB-CB 4.04Å; R1692-P1695 HydrophobicContact CG-CB 4.29Å; P1695-A1713 HydrophobicContact CG-CB 3.84Å; P1695-W1715 HydrophobicContact CB-CZ2 4.36Å; P1695-W1715 HydrophobicContact CG-CZ2 4.01Å | ||
| 1696 | F | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 152.7 | -172.7 | 71.3 | -90.2 | 0 | 0 | 0 | 113.1 | L1557 Y1604 W1605 H1669 A1671 I1694 H1707 N1711 A1713 | L1557-F1696 HydrophobicContact CD2-CB 3.57Å; L1557-F1696 HydrophobicContact CD2-CD1 3.99Å; L1557-F1696 HydrophobicContact CD2-CD2 4.33Å; L1557-F1696 HydrophobicContact CD2-CG 3.71Å; Y1604-F1696 HydrophobicContact CD1-CD2 4.03Å; Y1604-F1696 AromaticContact CD1-CE2 3.97Å; Y1604-F1696 HydrophobicContact CD1-CE2 3.97Å; Y1604-F1696 HydrophobicContact CE1-CE2 4.5Å; W1605-F1696 CarbonylContact O-C 3.57Å; W1605-F1696 WeakPolarHBondContact O-CA 3.35Å; W1605-F1696 VanDerWaalsContact O-CB 3.32Å; W1605-F1696 WeakPolarHBondContact O-CB 3.19Å; H1669-F1696 HydrophobicContact CB-CD1 4.17Å; H1669-F1696 HydrophobicContact CB-CE1 3.66Å; H1669-F1696 HydrophobicContact CB-CZ 4.22Å; A1671-F1696 HydrophobicContact CB-CE2 3.95Å; A1671-F1696 HydrophobicContact CB-CZ 4.24Å; I1694-F1696 VanDerWaalsContact C-N 3.33Å; I1694-F1696 HydrophobicContact CG2-CD1 4.29Å; I1694-F1696 HydrophobicContact CG2-CE1 4.22Å; I1694-F1696 WeakPolarHBondContact CG2-O 3.1Å; F1696-H1707 PolarHBondContact O-CE1 2.75Å; F1696-H1707 PolarHBondContact O-ND1 3.46Å; F1696-N1711 HydrophobicContact CE2-CB 3.93Å; F1696-N1711 HydrophobicContact CZ-CB 3.74Å; F1696-A1713 HydrophobicContact CE1-CB 4.46Å |
| 1697 | I | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 147.6 | 177.4 | -165.1 | 171 | 0 | 0 | 0 | 110.3 | Y1604 W1605 A1607 Y1627 I1628 C1705 N1706 | Y1604-I1697 WeakPolarHBondContact CA-O 3.4Å; W1605-I1697 HydrophobicContact CB-CG2 4.31Å; W1605-I1697 PolarHBondContact N-O 3.34Å; W1605-I1697 VanDerWaalsContact N-O 3.15Å; W1605-I1697 PolarHBondContact O-N 2.99Å; A1607-I1697 HydrophobicContact CB-CB 4.32Å; Y1627-I1697 HydrophobicContact CD1-CD1 4.17Å; Y1627-I1697 HydrophobicContact CG-CD1 4.09Å; I1628-I1697 HydrophobicContact CD1-CG2 3.76Å; I1697-C1705 HydrophobicContact CD1-CB 3.91Å; I1697-C1705 HydrophobicContact CG1-CB 4.22Å; I1697-N1706 VanDerWaalsContact CG1-O 3.28Å; I1697-N1706 WeakPolarHBondContact CG1-O 3.41Å |
| 1698 | E | 97 | Very high | 95.1 | Very high | 7 Ų | 7 | 29.4 Ų | 29.4 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 127.6 | 177.3 | 175.8 | 178.6 | 133.7 | 0 | 0 | 110.5 | Y1602 Y1604 H1700 C1705 N1706 Y1708 | Y1602-E1698 HydrophobicContact CD1-CG 4.25Å; Y1604-E1698 HydrophobicContact CD1-CB 3.76Å; Y1604-E1698 HydrophobicContact CD1-CG 4Å; Y1604-E1698 HydrophobicContact CE1-CB 3.54Å; Y1604-E1698 HydrophobicContact CE1-CG 3.37Å; E1698-H1700 IonicContact OE1-CE1 2.9Å; E1698-H1700 PolarHBondContact OE1-CE1 2.98Å; E1698-H1700 IonicContact OE1-ND1 3.17Å; E1698-H1700 IonicContact OE1-NE2 3.99Å; E1698-C1705 CarbonylContact O-C 2.84Å; E1698-C1705 WeakPolarHBondContact O-CA 3.23Å; E1698-N1706 PolarHBondContact N-O 3.05Å; E1698-N1706 PolarHBondContact O-N 3.21Å; E1698-Y1708 HydrophobicContact CB-CD2 4.01Å; E1698-Y1708 HydrophobicContact CB-CE2 4.11Å; E1698-Y1708 VanDerWaalsContact CD-CD2 3.42Å; E1698-Y1708 HydrophobicContact CG-CD2 4.16Å; E1698-Y1708 HydrophobicContact CG-CE2 4.02Å; E1698-Y1708 WeakPolarHBondContact OE1-CD2 3.3Å; E1698-Y1708 WeakPolarHBondContact OE1-CE2 3.16Å; E1698-Y1708 WeakPolarHBondContact OE2-CD2 3.4Å |
| 1699 | C | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 151.6 | 178.1 | -66.5 | 0 | 0 | 0 | 0 | 110.9 | T1582 Y1602 T1603 T1704 C1705 | T1582-C1699 HydrophobicContact CG2-CB 4.18Å; Y1602-C1699 CarbonylContact C-O 3.54Å; Y1602-C1699 VanDerWaalsContact CA-O 3.26Å; Y1602-C1699 WeakPolarHBondContact CA-O 3.41Å; Y1602-C1699 WeakPolarHBondContact CB-O 3.15Å; T1603-C1699 PolarHBondContact N-O 2.75Å; T1603-C1699 WeakPolarHBondContact O-CA 3.37Å; T1603-C1699 WeakPolarHBondContact O-CB 3.35Å; T1603-C1699 PolarHBondContact O-N 3.47Å; C1699-T1704 CarbonylContact C-O 3.53Å; C1699-T1704 WeakPolarHBondContact CA-O 3.5Å; C1699-C1705 HydrophobicContact CB-CB 4.11Å; C1699-C1705 WeakPolarHBondContact CB-SG 3.46Å; C1699-C1705 WeakPolarHBondContact SG-CB 3.39Å; C1699-C1705 CovalentContact SG-SG 2.04Å; C1699-C1705 PolarHBondContact SG-SG 3.39Å |
| 1700 | H | 95.2 | Very high | 94.7 | Very high | 16 Ų | 16 | 34.5 Ų | 34.5 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 156.8 | -175 | -61.8 | 39.6 | 0 | 0 | 0 | 112.2 | T1582 Y1602 E1698 R1702 G1703 T1704 Y1708 | T1582-H1700 WeakPolarHBondContact CB-O 3.07Å; Y1602-H1700 AromaticContact CD1-CE1 3.94Å; Y1602-H1700 AromaticContact CD1-ND1 3.93Å; Y1602-H1700 AromaticContact CE1-CD2 3.93Å; Y1602-H1700 AromaticContact CE1-CE1 3.96Å; Y1602-H1700 AromaticContact CE1-NE2 3.81Å; E1698-H1700 IonicContact OE1-CE1 2.9Å; E1698-H1700 PolarHBondContact OE1-CE1 2.98Å; E1698-H1700 IonicContact OE1-ND1 3.17Å; E1698-H1700 IonicContact OE1-NE2 3.99Å; H1700-R1702 HydrophobicContact CB-CG 3.8Å; H1700-R1702 PolarHBondContact CD2-NE 3.41Å; H1700-R1702 PolarHBondContact CD2-NH2 2.95Å; H1700-R1702 PolarHBondContact NE2-NH2 3.25Å; H1700-R1702 PolarHBondContact O-N 3.25Å; H1700-R1702 VanDerWaalsContact O-N 3.09Å; H1700-G1703 PolarHBondContact O-N 3.33Å; H1700-T1704 PolarHBondContact N-O 3.21Å; H1700-Y1708 AromaticContact CE1-CE2 3.78Å; H1700-Y1708 AromaticContact CE1-CZ 3.94Å; H1700-Y1708 PolarHBondContact CE1-OH 3.1Å |
| 1701 | G | 91.5 | Very high | 94.6 | Very high | 8 Ų | 8 | 33 Ų | 33 | 8% | 0.082 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -41.9 | -44.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1597 D1601 G1703 | A1597-G1701 WeakPolarHBondContact CB-O 3.08Å; D1601-G1701 PolarHBondContact O-N 2.93Å; G1701-G1703 PolarHBondContact O-N 2.81Å |
| 1702 | R | 92.5 | Very high | 94.7 | Very high | 157 Ų | 157 | 36.8 Ų | 36.8 | 59% | 0.592 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 12.4 | 178.6 | 65 | 170.2 | 176 | -155.4 | -9.6 | 116.8 | H1700 T1704 | H1700-R1702 HydrophobicContact CB-CG 3.8Å; H1700-R1702 PolarHBondContact CD2-NE 3.41Å; H1700-R1702 PolarHBondContact CD2-NH2 2.95Å; H1700-R1702 PolarHBondContact NE2-NH2 3.25Å; H1700-R1702 PolarHBondContact O-N 3.25Å; H1700-R1702 VanDerWaalsContact O-N 3.09Å; R1702-T1704 HydrophobicContact CG-CG2 3.97Å; R1702-T1704 WeakPolarHBondContact CG-OG1 3.06Å; R1702-T1704 PolarHBondContact NE-OG1 3.12Å; R1702-T1704 PolarHBondContact O-N 3.19Å |
| 1703 | G | 94.8 | Very high | 94.8 | Very high | 23 Ų | 23 | 36.2 Ų | 36.2 | 24% | 0.237 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 79.7 | 10.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | T1620 H1700 G1701 | T1620-G1703 WeakPolarHBondContact CA-O 3.36Å; H1700-G1703 PolarHBondContact O-N 3.33Å; G1701-G1703 PolarHBondContact O-N 2.81Å |
| 1704 | T | 96.1 | Very high | 95.1 | Very high | 17 Ų | 17 | 37.4 Ų | 37.4 | 10% | 0.104 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 140.3 | -177.8 | 60.1 | 0 | 0 | 0 | 0 | 112.5 | P1618 V1619 T1620 C1699 H1700 R1702 | P1618-T1704 HydrophobicContact CB-CG2 4.14Å; V1619-T1704 CarbonylContact O-C 3.58Å; V1619-T1704 WeakPolarHBondContact O-CA 3.27Å; T1620-T1704 HydrophobicContact CG2-CG2 3.71Å; C1699-T1704 CarbonylContact C-O 3.53Å; C1699-T1704 WeakPolarHBondContact CA-O 3.5Å; H1700-T1704 PolarHBondContact N-O 3.21Å; R1702-T1704 HydrophobicContact CG-CG2 3.97Å; R1702-T1704 WeakPolarHBondContact CG-OG1 3.06Å; R1702-T1704 PolarHBondContact NE-OG1 3.12Å; R1702-T1704 PolarHBondContact O-N 3.19Å |
| 1705 | C | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 146.5 | 167.8 | -53.5 | 0 | 0 | 0 | 0 | 112.8 | P1618 V1619 V1624 I1697 E1698 C1699 | P1618-C1705 CarbonylContact C-O 3.21Å; P1618-C1705 WeakPolarHBondContact CA-O 3.27Å; V1619-C1705 PolarHBondContact N-O 3.34Å; V1619-C1705 PolarHBondContact O-N 3.38Å; V1624-C1705 HydrophobicContact CG1-CB 4.15Å; V1624-C1705 VanDerWaalsContact CG1-SG 3.55Å; V1624-C1705 HydrophobicContact CG2-CB 4.27Å; I1697-C1705 HydrophobicContact CD1-CB 3.91Å; I1697-C1705 HydrophobicContact CG1-CB 4.22Å; E1698-C1705 CarbonylContact O-C 2.84Å; E1698-C1705 WeakPolarHBondContact O-CA 3.23Å; C1699-C1705 HydrophobicContact CB-CB 4.11Å; C1699-C1705 WeakPolarHBondContact CB-SG 3.46Å; C1699-C1705 WeakPolarHBondContact SG-CB 3.39Å; C1699-C1705 CovalentContact SG-SG 2.04Å; C1699-C1705 PolarHBondContact SG-SG 3.39Å |
| 1706 | N | 96.2 | Very high | 95.2 | Very high | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.053 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 163.2 | 178.6 | -157.1 | -21.6 | 0 | 0 | 0 | 111.4 | M1612 M1616 P1618 I1697 E1698 Y1708 | M1612-N1706 WeakPolarHBondContact CE-OD1 3.5Å; M1612-N1706 PolarHBondContact SD-OD1 3.34Å; M1612-N1706 VanDerWaalsContact SD-OD1 3.41Å; M1616-N1706 PolarHBondContact O-ND2 3.23Å; P1618-N1706 HydrophobicContact CB-CB 4.22Å; P1618-N1706 HydrophobicContact CG-CB 4.43Å; I1697-N1706 VanDerWaalsContact CG1-O 3.28Å; I1697-N1706 WeakPolarHBondContact CG1-O 3.41Å; E1698-N1706 PolarHBondContact N-O 3.05Å; E1698-N1706 PolarHBondContact O-N 3.21Å; N1706-Y1708 HydrophobicContact CB-CD2 4.37Å; N1706-Y1708 HydrophobicContact CB-CE1 4.29Å; N1706-Y1708 HydrophobicContact CB-CE2 3.71Å |
| 1707 | H | 93.5 | Very high | 95.1 | Very high | 46 Ų | 46 | 40.6 Ų | 40.6 | 21% | 0.213 | 22% | 0.223 | C | C | . | . | trans | -99.7 | 109.8 | 165.7 | -72 | -86.6 | 0 | 0 | 0 | 109.9 | M1612 F1696 | M1612-H1707 HydrophobicContact CG-CB 4.03Å; M1612-H1707 HydrophobicContact SD-CB 4.37Å; F1696-H1707 PolarHBondContact O-CE1 2.75Å; F1696-H1707 PolarHBondContact O-ND1 3.46Å | ||
| 1708 | Y | 93.9 | Very high | 95 | Very high | 62 Ų | 62 | 41.9 Ų | 41.9 | 24% | 0.243 | 23% | 0.231 | C | C | . | . | trans | -91.1 | 154.6 | 178.4 | -60.6 | -84.4 | 0 | 0 | 0 | 112.4 | E1698 H1700 N1706 T1710 N1711 | E1698-Y1708 HydrophobicContact CB-CD2 4.01Å; E1698-Y1708 HydrophobicContact CB-CE2 4.11Å; E1698-Y1708 VanDerWaalsContact CD-CD2 3.42Å; E1698-Y1708 HydrophobicContact CG-CD2 4.16Å; E1698-Y1708 HydrophobicContact CG-CE2 4.02Å; E1698-Y1708 WeakPolarHBondContact OE1-CD2 3.3Å; E1698-Y1708 WeakPolarHBondContact OE1-CE2 3.16Å; E1698-Y1708 WeakPolarHBondContact OE2-CD2 3.4Å; H1700-Y1708 AromaticContact CE1-CE2 3.78Å; H1700-Y1708 AromaticContact CE1-CZ 3.94Å; H1700-Y1708 PolarHBondContact CE1-OH 3.1Å; N1706-Y1708 HydrophobicContact CB-CD2 4.37Å; N1706-Y1708 HydrophobicContact CB-CE1 4.29Å; N1706-Y1708 HydrophobicContact CB-CE2 3.71Å; Y1708-T1710 WeakPolarHBondContact CB-OG1 3.28Å; Y1708-T1710 PolarHBondContact O-N 3.16Å; Y1708-T1710 VanDerWaalsContact O-N 3.15Å; Y1708-N1711 VanDerWaalsContact O-CB 3.27Å; Y1708-N1711 WeakPolarHBondContact O-CB 3.42Å; Y1708-N1711 PolarHBondContact O-N 2.91Å; Y1708-N1711 PolarHBondContact O-OD1 3.42Å | ||
| 1709 | A | 92 | Very high | 94.9 | Very high | 98 Ų | 98 | 44.9 Ų | 44.9 | 81% | 0.81 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -13.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | N1711 H1712 | A1709-N1711 VanDerWaalsContact C-N 3.32Å; A1709-H1712 PolarHBondContact O-CE1 3.26Å; A1709-H1712 VanDerWaalsContact O-CE1 3.29Å |
| 1710 | T | 92.6 | Very high | 94.5 | Very high | 80 Ų | 80 | 47.7 Ų | 47.7 | 49% | 0.491 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -13.7 | 170.9 | 39.7 | 0 | 0 | 0 | 0 | 113.6 | Y1708 H1712 | Y1708-T1710 WeakPolarHBondContact CB-OG1 3.28Å; Y1708-T1710 PolarHBondContact O-N 3.16Å; Y1708-T1710 VanDerWaalsContact O-N 3.15Å; T1710-H1712 PolarHBondContact O-N 3.47Å |
| 1711 | N | 94.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | trans | -77.4 | 117.1 | -174.6 | -62.6 | 22.1 | 0 | 0 | 0 | 108.4 | T1670 A1671 I1694 F1696 Y1708 A1709 | T1670-N1711 WeakPolarHBondContact O-CA 2.92Å; A1671-N1711 HydrophobicContact CB-CB 4.5Å; A1671-N1711 WeakPolarHBondContact CB-OD1 3.45Å; I1694-N1711 HydrophobicContact CD1-CB 4.32Å; I1694-N1711 VanDerWaalsContact CD1-O 3.32Å; I1694-N1711 WeakPolarHBondContact CD1-O 3.1Å; I1694-N1711 WeakPolarHBondContact CG1-O 3.23Å; I1694-N1711 HydrophobicContact CG2-CB 3.88Å; F1696-N1711 HydrophobicContact CE2-CB 3.93Å; F1696-N1711 HydrophobicContact CZ-CB 3.74Å; Y1708-N1711 VanDerWaalsContact O-CB 3.27Å; Y1708-N1711 WeakPolarHBondContact O-CB 3.42Å; Y1708-N1711 PolarHBondContact O-N 2.91Å; Y1708-N1711 PolarHBondContact O-OD1 3.42Å; A1709-N1711 VanDerWaalsContact C-N 3.32Å | ||
| 1712 | H | 95.6 | Very high | 94.2 | Very high | 98 Ų | 98 | 60 Ų | 60 | 45% | 0.454 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 136.7 | -177.1 | -62.4 | -17.4 | 0 | 0 | 0 | 109.8 | H1669 T1670 A1709 T1710 F1714 | H1669-H1712 CarbonylContact C-O 3.6Å; H1669-H1712 VanDerWaalsContact CA-O 3.25Å; H1669-H1712 WeakPolarHBondContact CA-O 3.11Å; T1670-H1712 PolarHBondContact N-O 3.28Å; T1670-H1712 PolarHBondContact O-N 3.04Å; A1709-H1712 PolarHBondContact O-CE1 3.26Å; A1709-H1712 VanDerWaalsContact O-CE1 3.29Å; T1710-H1712 PolarHBondContact O-N 3.47Å; H1712-F1714 HydrophobicContact CB-CE2 3.94Å; H1712-F1714 HydrophobicContact CB-CZ 4.19Å |
| 1713 | A | 95.5 | Very high | 94.1 | Very high | 18 Ų | 18 | 55.9 Ų | 55.9 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 135.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | F1666 P1695 F1696 W1715 | F1666-A1713 HydrophobicContact CD2-CB 4.49Å; F1666-A1713 HydrophobicContact CE2-CB 3.87Å; P1695-A1713 HydrophobicContact CG-CB 3.84Å; F1696-A1713 HydrophobicContact CE1-CB 4.46Å; A1713-W1715 HydrophobicContact CB-CZ2 4.49Å |
| 1714 | F | 96.9 | Very high | 93.9 | Very high | 86 Ų | 86 | 59.6 Ų | 59.6 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 136.3 | -175.7 | -59.4 | -98.6 | 0 | 0 | 0 | 108.7 | I1667 M1668 T1670 H1712 | I1667-F1714 HydrophobicContact CG2-CB 4.1Å; I1667-F1714 WeakPolarHBondContact CG2-O 3.19Å; I1667-F1714 PolarHBondContact N-O 3.22Å; M1668-F1714 HydrophobicContact CG-CB 3.57Å; M1668-F1714 HydrophobicContact CG-CD2 3.67Å; M1668-F1714 HydrophobicContact CG-CG 3.74Å; M1668-F1714 PolarHBondContact O-N 2.96Å; M1668-F1714 HydrophobicContact SD-CD2 4.45Å; M1668-F1714 HydrophobicContact SD-CG 4.45Å; T1670-F1714 HydrophobicContact CG2-CE2 4.07Å; H1712-F1714 HydrophobicContact CB-CE2 3.94Å; H1712-F1714 HydrophobicContact CB-CZ 4.19Å |
| 1715 | W | 97.3 | Very high | 93.8 | Very high | 38 Ų | 38 | 66.6 Ų | 66.6 | 14% | 0.144 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 146.1 | -173.5 | -54.8 | 80.4 | 0 | 0 | 0 | 108.5 | S1665 F1666 L1688 F1691 R1692 P1695 A1713 A1717 I1742 | S1665-W1715 CarbonylContact O-C 3.53Å; S1665-W1715 WeakPolarHBondContact O-CA 3.17Å; S1665-W1715 WeakPolarHBondContact O-CB 3.42Å; F1666-W1715 HydrophobicContact CB-CE3 3.93Å; F1666-W1715 HydrophobicContact CB-CH2 4.22Å; F1666-W1715 HydrophobicContact CB-CZ3 3.73Å; F1666-W1715 HydrophobicContact CD2-CD2 4.4Å; F1666-W1715 HydrophobicContact CD2-CH2 4.34Å; F1666-W1715 HydrophobicContact CD2-CZ2 4.19Å; F1666-W1715 HydrophobicContact CG-CZ3 4.47Å; L1688-W1715 HydrophobicContact CB-CH2 4.34Å; L1688-W1715 HydrophobicContact CB-CZ3 4.34Å; L1688-W1715 HydrophobicContact CD1-CH2 3.83Å; L1688-W1715 HydrophobicContact CD1-CZ3 4.39Å; F1691-W1715 AromaticContact CD2-CD2 3.88Å; F1691-W1715 HydrophobicContact CD2-CD2 3.88Å; F1691-W1715 AromaticContact CD2-CE2 3.66Å; F1691-W1715 HydrophobicContact CD2-CE3 4.09Å; F1691-W1715 AromaticContact CD2-CH2 3.95Å; F1691-W1715 HydrophobicContact CD2-CH2 3.95Å; F1691-W1715 AromaticContact CD2-CZ2 3.72Å; F1691-W1715 HydrophobicContact CD2-CZ2 3.72Å; F1691-W1715 HydrophobicContact CD2-CZ3 4.13Å; F1691-W1715 HydrophobicContact CE2-CD2 4.07Å; F1691-W1715 AromaticContact CE2-CE2 3.66Å; F1691-W1715 HydrophobicContact CE2-CG 4.36Å; F1691-W1715 HydrophobicContact CE2-CZ2 4.03Å; F1691-W1715 AromaticContact CE2-NE1 3.67Å; R1692-W1715 WeakPolarHBondContact O-CZ2 3.02Å; P1695-W1715 HydrophobicContact CB-CZ2 4.36Å; P1695-W1715 HydrophobicContact CG-CZ2 4.01Å; A1713-W1715 HydrophobicContact CB-CZ2 4.49Å; W1715-A1717 PolarHBondContact O-N 3.15Å; W1715-I1742 HydrophobicContact CB-CD1 4.42Å; W1715-I1742 HydrophobicContact CB-CG1 4.33Å; W1715-I1742 HydrophobicContact CB-CG2 3.95Å; W1715-I1742 HydrophobicContact CE3-CG2 4.27Å; W1715-I1742 HydrophobicContact CG-CD1 4.31Å; W1715-I1742 HydrophobicContact CG-CG2 4.44Å |
| 1716 | L | 96.9 | Very high | 93.5 | Very high | 33 Ų | 33 | 72.7 Ų | 72.7 | 17% | 0.173 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -64 | 132.1 | 170.7 | -69 | 178.3 | 0 | 0 | 0 | 109.1 | H1644 S1665 I1667 L1681 S1743 | H1644-L1716 HydrophobicContact CB-CD1 4.13Å; S1665-L1716 PolarHBondContact O-N 2.88Å; I1667-L1716 HydrophobicContact CD1-CD2 3.95Å; L1681-L1716 HydrophobicContact CD1-CD1 4.23Å; L1681-L1716 HydrophobicContact CD2-CD1 3.93Å; L1681-L1716 HydrophobicContact CD2-CG 4.4Å; L1716-S1743 VanDerWaalsContact O-CB 3.25Å; L1716-S1743 WeakPolarHBondContact O-CB 2.82Å; L1716-S1743 PolarHBondContact O-N 2.95Å |
| 1717 | A | 95.3 | Very high | 93.3 | Very high | 54 Ų | 54 | 78.2 Ų | 78.2 | 45% | 0.446 | 40% | 0.397 | S | S | . | . | B | Isolated β-bridge | trans | -79.4 | 157.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | W1715 I1719 R1741 | W1715-A1717 PolarHBondContact O-N 3.15Å; A1717-I1719 PolarHBondContact O-N 3.34Å; A1717-R1741 CarbonylContact C-O 3.45Å; A1717-R1741 WeakPolarHBondContact CA-O 2.36Å |
| 1718 | V | 95 | Very high | 93 | Very high | 28 Ų | 28 | 79.2 Ų | 79.2 | 17% | 0.17 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 122.4 | 162.8 | 169.8 | 0 | 0 | 0 | 0 | 109.2 | Q1646 R1741 | Q1646-V1718 CarbonylContact O-C 3.5Å; Q1646-V1718 WeakPolarHBondContact O-CA 3.38Å; V1718-R1741 PolarHBondContact N-O 3.06Å |
| 1719 | I | 93.4 | Very high | 92.7 | Very high | 69 Ų | 69 | 83.9 Ų | 83.9 | 35% | 0.354 | 43% | 0.43 | S | S | . | . | trans | -118.9 | 116.6 | 176.9 | -53 | -174.7 | 0 | 0 | 0 | 108.6 | Q1646 A1717 K1721 M1724 | Q1646-I1719 PolarHBondContact O-N 3.25Å; A1717-I1719 PolarHBondContact O-N 3.34Å; I1719-K1721 PolarHBondContact O-N 2.97Å; I1719-M1724 HydrophobicContact CG2-CB 4.38Å; I1719-M1724 HydrophobicContact CG2-CG 3.82Å | ||
| 1720 | D | 89.8 | Confident | 92.6 | Very high | 60 Ų | 60 | 83.1 Ų | 83.1 | 32% | 0.321 | 42% | 0.418 | S | S | . | . | trans | -63.5 | 126.9 | 168.4 | 172.1 | 9.4 | 0 | 0 | 0 | 109.4 | N1722 Q1723 M1724 | D1720-N1722 PolarHBondContact O-N 3.27Å; D1720-N1722 VanDerWaalsContact O-N 3.14Å; D1720-N1722 WeakPolarHBondContact OD1-CB 3.35Å; D1720-N1722 PolarHBondContact OD1-N 3.4Å; D1720-N1722 PolarHBondContact OD1-ND2 2.82Å; D1720-Q1723 HydrophobicContact CB-CB 4.2Å; D1720-Q1723 HydrophobicContact CB-CG 4.11Å; D1720-Q1723 CarbonylContact O-C 3.55Å; D1720-Q1723 WeakPolarHBondContact O-CA 3.46Å; D1720-Q1723 PolarHBondContact O-N 2.89Å; D1720-Q1723 WeakPolarHBondContact OD2-CG 3.2Å; D1720-Q1723 PolarHBondContact OD2-NE2 3.27Å; D1720-M1724 PolarHBondContact O-N 3.19Å | ||
| 1721 | K | 89.5 | Confident | 92.3 | Very high | 161 Ų | 161 | 83.8 Ų | 83.8 | 70% | 0.7 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -53.5 | -34.4 | 177.5 | -69.7 | -174.9 | 178.4 | -178.9 | 0 | 111.8 | I1719 Q1723 M1724 | I1719-K1721 PolarHBondContact O-N 2.97Å; K1721-Q1723 PolarHBondContact O-N 2.59Å; K1721-Q1723 VanDerWaalsContact O-N 3.15Å; K1721-M1724 WeakPolarHBondContact O-CE 3.23Å |
| 1722 | N | 90.3 | Very high | 92.1 | Very high | 120 Ų | 120 | 90.4 Ų | 90.4 | 64% | 0.642 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -73.3 | -0.8 | 177.9 | -52.7 | -70.1 | 0 | 0 | 0 | 113.6 | D1720 K1726 | D1720-N1722 PolarHBondContact O-N 3.27Å; D1720-N1722 VanDerWaalsContact O-N 3.14Å; D1720-N1722 WeakPolarHBondContact OD1-CB 3.35Å; D1720-N1722 PolarHBondContact OD1-N 3.4Å; D1720-N1722 PolarHBondContact OD1-ND2 2.82Å; N1722-K1726 VanDerWaalsContact O-CE 3.31Å; N1722-K1726 WeakPolarHBondContact O-CE 3.29Å; N1722-K1726 PolarHBondContact O-NZ 3.06Å |
| 1723 | Q | 89.5 | Confident | 91.8 | Very high | 71 Ų | 71 | 89 Ų | 89 | 33% | 0.332 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -131.5 | -0.7 | -174.6 | -58.7 | -174.6 | 58.6 | 0 | 0 | 114.4 | D1720 K1721 F1725 K1726 | D1720-Q1723 HydrophobicContact CB-CB 4.2Å; D1720-Q1723 HydrophobicContact CB-CG 4.11Å; D1720-Q1723 CarbonylContact O-C 3.55Å; D1720-Q1723 WeakPolarHBondContact O-CA 3.46Å; D1720-Q1723 PolarHBondContact O-N 2.89Å; D1720-Q1723 WeakPolarHBondContact OD2-CG 3.2Å; D1720-Q1723 PolarHBondContact OD2-NE2 3.27Å; K1721-Q1723 PolarHBondContact O-N 2.59Å; K1721-Q1723 VanDerWaalsContact O-N 3.15Å; Q1723-F1725 VanDerWaalsContact C-N 3.26Å; Q1723-F1725 PolarHBondContact O-N 3.39Å; Q1723-F1725 VanDerWaalsContact O-N 3.09Å; Q1723-K1726 HydrophobicContact CB-CD 4.47Å; Q1723-K1726 HydrophobicContact CG-CD 4.3Å; Q1723-K1726 WeakPolarHBondContact O-CB 3Å; Q1723-K1726 PolarHBondContact O-N 3Å |
| 1724 | M | 90.2 | Very high | 91.5 | Very high | 101 Ų | 101 | 96.5 Ų | 96.5 | 50% | 0.498 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -41.3 | -175 | -62.9 | -176.3 | -62.2 | 0 | 0 | 114.4 | I1719 D1720 K1721 | I1719-M1724 HydrophobicContact CG2-CB 4.38Å; I1719-M1724 HydrophobicContact CG2-CG 3.82Å; D1720-M1724 PolarHBondContact O-N 3.19Å; K1721-M1724 WeakPolarHBondContact O-CE 3.23Å |
| 1725 | F | 94 | Very high | 90.8 | Very high | 165 Ų | 165 | 96.9 Ų | 96.9 | 72% | 0.724 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 5.7 | -179.1 | -55.4 | -69.2 | 0 | 0 | 0 | 113.9 | Q1723 | Q1723-F1725 VanDerWaalsContact C-N 3.26Å; Q1723-F1725 PolarHBondContact O-N 3.39Å; Q1723-F1725 VanDerWaalsContact O-N 3.09Å |
| 1726 | K | 92.4 | Very high | 90.2 | Very high | 128 Ų | 128 | 98.7 Ų | 98.7 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -84.9 | 165.6 | 173.2 | -65.3 | 178.4 | -177 | 155.1 | 0 | 109.6 | N1722 Q1723 P1728 | N1722-K1726 VanDerWaalsContact O-CE 3.31Å; N1722-K1726 WeakPolarHBondContact O-CE 3.29Å; N1722-K1726 PolarHBondContact O-NZ 3.06Å; Q1723-K1726 HydrophobicContact CB-CD 4.47Å; Q1723-K1726 HydrophobicContact CG-CD 4.3Å; Q1723-K1726 WeakPolarHBondContact O-CB 3Å; Q1723-K1726 PolarHBondContact O-N 3Å; K1726-P1728 VanDerWaalsContact O-CD 3.3Å; K1726-P1728 WeakPolarHBondContact O-CD 2.96Å |
| 1727 | K | 90.1 | Very high | 89.5 | Confident | 125 Ų | 125 | 98.2 Ų | 98.2 | 54% | 0.543 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 124 | 168.8 | 174.5 | -178.4 | 177.3 | -167 | 0 | 108.3 | G1329 F1729 | G1329-K1727 WeakPolarHBondContact O-CA 3.24Å; G1329-K1727 WeakPolarHBondContact O-CG 3.38Å; K1727-F1729 PolarHBondContact O-N 2.79Å |
| 1728 | P | 89.2 | Confident | 89.2 | Confident | 68 Ų | 68 | 98 Ų | 98 | 44% | 0.442 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 135.6 | 173.9 | -25.2 | 35.2 | 0 | 0 | 0 | 111.8 | G1329 K1726 S1730 | G1329-P1728 WeakPolarHBondContact O-CD 3.31Å; K1726-P1728 VanDerWaalsContact O-CD 3.3Å; K1726-P1728 WeakPolarHBondContact O-CD 2.96Å; P1728-S1730 PolarHBondContact O-N 3.18Å |
| 1729 | F | 86.6 | Confident | 89 | Confident | 160 Ų | 160 | 100.8 Ų | 100.8 | 70% | 0.702 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 128.2 | 168.1 | -76.7 | -86.8 | 0 | 0 | 0 | 109.3 | K1727 E1731 | K1727-F1729 PolarHBondContact O-N 2.79Å; F1729-E1731 PolarHBondContact O-N 3.07Å |
| 1730 | S | 89.8 | Confident | 88.8 | Confident | 81 Ų | 81 | 104.5 Ų | 104.5 | 57% | 0.566 | 55% | 0.551 | S | S | * | * | trans | -85.7 | 100.5 | -179.9 | -56.4 | 0 | 0 | 0 | 0 | 109.4 | P1728 | P1728-S1730 PolarHBondContact O-N 3.18Š| ||
| 1731 | E | 86.6 | Confident | 88.9 | Confident | 94 Ų | 94 | 106.6 Ų | 106.6 | 44% | 0.439 | 55% | 0.554 | S | S | . | * | trans | -104.7 | 149 | -178.7 | -69.9 | 174.3 | -163.3 | 0 | 0 | 111.5 | F1729 R1741 | F1729-E1731 PolarHBondContact O-N 3.07Å; E1731-R1741 IonicContact OE1-CZ 3.77Å; E1731-R1741 IonicContact OE1-NE 2.75Å; E1731-R1741 IonicContact OE1-NH2 2.67Å; E1731-R1741 PolarHBondContact OE1-NH2 3.43Å; E1731-R1741 IonicContact OE2-CZ 2.7Å; E1731-R1741 IonicContact OE2-NE 3.88Å; E1731-R1741 PolarHBondContact OE2-NE 3.2Å; E1731-R1741 IonicContact OE2-NH2 3.05Å; E1731-R1741 PolarHBondContact OE2-NH2 3.19Å | ||
| 1732 | T | 90.1 | Very high | 89.2 | Confident | 140 Ų | 140 | 99.6 Ų | 99.6 | 86% | 0.859 | 52% | 0.524 | S | S | * | . | trans | -125.2 | 106 | 173.7 | -62 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1733 | L | 88.6 | Confident | 89.5 | Confident | 69 Ų | 69 | 93.9 Ų | 93.9 | 36% | 0.361 | 49% | 0.494 | S | S | . | . | trans | -94.7 | 145.3 | -171.3 | -57 | 169.3 | 0 | 0 | 0 | 110.8 | L1738 R1741 | L1733-L1738 HydrophobicContact CB-CD2 3.87Å; L1733-R1741 HydrophobicContact CD1-CB 3.51Å; L1733-R1741 HydrophobicContact CD1-CG 3.69Å; L1733-R1741 HydrophobicContact CD2-CG 4.28Å | ||
| 1734 | K | 89.9 | Confident | 89.9 | Confident | 176 Ų | 176 | 92.5 Ų | 92.5 | 77% | 0.765 | 49% | 0.485 | S | S | * | . | trans | -111.4 | 173.3 | 171.5 | -65 | -176.2 | -179.9 | -179.9 | 0 | 110.1 | G1737 L1738 | K1734-G1737 PolarHBondContact O-N 2.73Å; K1734-G1737 VanDerWaalsContact O-N 3.09Å; K1734-L1738 PolarHBondContact O-N 3.04Å | ||
| 1735 | A | 82.9 | Confident | 90.3 | Very high | 93 Ų | 93 | 87.7 Ų | 87.7 | 77% | 0.769 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | 146.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1737 | A1735-G1737 VanDerWaalsContact C-N 3.28Å; A1735-G1737 PolarHBondContact O-N 2.8Å |
| 1736 | G | 82.9 | Confident | 90.5 | Very high | 77 Ų | 77 | 81.3 Ų | 81.3 | 79% | 0.794 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | -51.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1737 | G | 83.7 | Confident | 90.8 | Very high | 22 Ų | 22 | 75.2 Ų | 75.2 | 23% | 0.227 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -27.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | K1734 A1735 K1739 Q1740 | K1734-G1737 PolarHBondContact O-N 2.73Å; K1734-G1737 VanDerWaalsContact O-N 3.09Å; A1735-G1737 VanDerWaalsContact C-N 3.28Å; A1735-G1737 PolarHBondContact O-N 2.8Å; G1737-K1739 PolarHBondContact O-N 2.81Å; G1737-Q1740 WeakPolarHBondContact O-CB 2.74Å; G1737-Q1740 PolarHBondContact O-N 3.33Å; G1737-Q1740 VanDerWaalsContact O-N 3.12Å |
| 1738 | L | 89.1 | Confident | 91.1 | Very high | 49 Ų | 49 | 69.3 Ų | 69.3 | 26% | 0.257 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -48.1 | -49.9 | -169.9 | -67.7 | 165.9 | 0 | 0 | 0 | 114.7 | F1691 A1693 L1733 K1734 Q1740 R1741 | F1691-L1738 HydrophobicContact CE1-CB 3.67Å; F1691-L1738 HydrophobicContact CE1-CD1 3.92Å; F1691-L1738 HydrophobicContact CE1-CG 4.39Å; F1691-L1738 HydrophobicContact CZ-CB 3.94Å; F1691-L1738 HydrophobicContact CZ-CD1 4.06Å; F1691-L1738 HydrophobicContact CZ-CG 4.45Å; A1693-L1738 HydrophobicContact CB-CD1 4.43Å; L1733-L1738 HydrophobicContact CB-CD2 3.87Å; K1734-L1738 PolarHBondContact O-N 3.04Å; L1738-Q1740 PolarHBondContact O-N 3.31Å; L1738-R1741 PolarHBondContact O-N 3.01Å |
| 1739 | K | 90.3 | Very high | 91.3 | Very high | 88 Ų | 88 | 67.2 Ų | 67.2 | 38% | 0.383 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -64 | -23 | -173.6 | -68.8 | -171 | 175 | -157.5 | 0 | 113.6 | Y1664 D1690 F1691 G1737 R1741 | Y1664-K1739 HydrophobicContact CE1-CB 4.31Å; Y1664-K1739 HydrophobicContact CE1-CD 4.15Å; Y1664-K1739 HydrophobicContact CE1-CG 4.16Å; D1690-K1739 IonicContact OD1-NZ 2.64Å; F1691-K1739 HydrophobicContact CB-CG 4.44Å; F1691-K1739 HydrophobicContact CD1-CD 4.35Å; F1691-K1739 HydrophobicContact CD1-CG 3.63Å; F1691-K1739 HydrophobicContact CE1-CG 4.33Å; F1691-K1739 HydrophobicContact CG-CG 4.28Å; G1737-K1739 PolarHBondContact O-N 2.81Å; K1739-R1741 VanDerWaalsContact C-N 3.28Å; K1739-R1741 PolarHBondContact O-N 3.09Å |
| 1740 | Q | 89.2 | Confident | 91.6 | Very high | 146 Ų | 146 | 64.1 Ų | 64.1 | 68% | 0.682 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -73.9 | -17.6 | -177.8 | -61.7 | 177.6 | -10.6 | 0 | 0 | 113.6 | G1737 L1738 | G1737-Q1740 WeakPolarHBondContact O-CB 2.74Å; G1737-Q1740 PolarHBondContact O-N 3.33Å; G1737-Q1740 VanDerWaalsContact O-N 3.12Å; L1738-Q1740 PolarHBondContact O-N 3.31Å |
| 1741 | R | 91.9 | Very high | 91.6 | Very high | 104 Ų | 104 | 66.6 Ų | 66.6 | 39% | 0.392 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -112.3 | 11 | -179.5 | -72.4 | -63.3 | -157.6 | -162.4 | 0.9 | 113.6 | A1717 V1718 E1731 L1733 L1738 K1739 | A1717-R1741 CarbonylContact C-O 3.45Å; A1717-R1741 WeakPolarHBondContact CA-O 2.36Å; V1718-R1741 PolarHBondContact N-O 3.06Å; E1731-R1741 IonicContact OE1-CZ 3.77Å; E1731-R1741 IonicContact OE1-NE 2.75Å; E1731-R1741 IonicContact OE1-NH2 2.67Å; E1731-R1741 PolarHBondContact OE1-NH2 3.43Å; E1731-R1741 IonicContact OE2-CZ 2.7Å; E1731-R1741 IonicContact OE2-NE 3.88Å; E1731-R1741 PolarHBondContact OE2-NE 3.2Å; E1731-R1741 IonicContact OE2-NH2 3.05Å; E1731-R1741 PolarHBondContact OE2-NH2 3.19Å; L1733-R1741 HydrophobicContact CD1-CB 3.51Å; L1733-R1741 HydrophobicContact CD1-CG 3.69Å; L1733-R1741 HydrophobicContact CD2-CG 4.28Å; L1738-R1741 PolarHBondContact O-N 3.01Å; K1739-R1741 VanDerWaalsContact C-N 3.28Å; K1739-R1741 PolarHBondContact O-N 3.09Å |
| 1742 | I | 94.9 | Very high | 91.2 | Very high | 15 Ų | 15 | 64.8 Ų | 64.8 | 8% | 0.077 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -109.8 | 128.2 | 179.4 | -65.2 | 173.3 | 0 | 0 | 0 | 110.1 | Y1664 F1691 W1715 R1744 | Y1664-I1742 HydrophobicContact CD1-CG2 4.09Å; F1691-I1742 HydrophobicContact CD1-CD1 4.43Å; F1691-I1742 HydrophobicContact CD2-CD1 3.43Å; F1691-I1742 VanDerWaalsContact CD2-CD1 3.43Å; F1691-I1742 HydrophobicContact CE1-CD1 4.18Å; F1691-I1742 HydrophobicContact CE2-CD1 3.13Å; F1691-I1742 HydrophobicContact CG-CD1 4.09Å; F1691-I1742 HydrophobicContact CZ-CD1 3.54Å; W1715-I1742 HydrophobicContact CB-CD1 4.42Å; W1715-I1742 HydrophobicContact CB-CG1 4.33Å; W1715-I1742 HydrophobicContact CB-CG2 3.95Å; W1715-I1742 HydrophobicContact CE3-CG2 4.27Å; W1715-I1742 HydrophobicContact CG-CD1 4.31Å; W1715-I1742 HydrophobicContact CG-CG2 4.44Å; I1742-R1744 PolarHBondContact O-N 3.19Å |
| 1743 | S | 97.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | trans | -56.8 | 132.1 | 176.6 | 175.3 | 0 | 0 | 0 | 0 | 111 | Q1646 T1647 S1665 L1716 | Q1646-S1743 VanDerWaalsContact CA-OG 3.26Å; Q1646-S1743 WeakPolarHBondContact CA-OG 3.34Å; Q1646-S1743 PolarHBondContact N-OG 3.4Å; T1647-S1743 WeakPolarHBondContact O-CA 3.46Å; S1665-S1743 WeakPolarHBondContact CB-O 3.47Å; S1665-S1743 PolarHBondContact N-O 3.42Å; S1665-S1743 VanDerWaalsContact OG-CB 3.31Å; S1665-S1743 WeakPolarHBondContact OG-CB 3.27Å; S1665-S1743 PolarHBondContact OG-O 2.86Å; S1665-S1743 PolarHBondContact OG-OG 3.32Å; L1716-S1743 VanDerWaalsContact O-CB 3.25Å; L1716-S1743 WeakPolarHBondContact O-CB 2.82Å; L1716-S1743 PolarHBondContact O-N 2.95Å | ||
| 1744 | R | 98.1 | Very high | 89.1 | Confident | 42 Ų | 42 | 66.8 Ų | 66.8 | 16% | 0.158 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 164.2 | 167.3 | -53.3 | -56.6 | -56.4 | -70.9 | -7.4 | 111.2 | S1645 T1647 S1648 D1649 I1650 G1663 S1665 I1742 | S1645-R1744 PolarHBondContact N-O 2.72Å; S1645-R1744 VanDerWaalsContact N-O 3.13Å; S1645-R1744 PolarHBondContact OG-O 2.62Å; T1647-R1744 PolarHBondContact O-N 3.3Å; S1648-R1744 VanDerWaalsContact C-CG 3.4Å; S1648-R1744 WeakPolarHBondContact O-CG 3.41Å; D1649-R1744 WeakPolarHBondContact O-CB 3.49Å; I1650-R1744 HydrophobicContact CG1-CB 4.4Å; G1663-R1744 PolarHBondContact O-NE 3.47Å; G1663-R1744 PolarHBondContact O-NH2 3.13Å; S1665-R1744 PolarHBondContact OG-O 3.28Å; S1665-R1744 VanDerWaalsContact OG-O 3.05Å; I1742-R1744 PolarHBondContact O-N 3.19Å |
| 1745 | C | 98.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 161.8 | 173.6 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | V1643 H1644 S1662 G1663 Y1664 C1687 | V1643-C1745 CarbonylContact O-C 3.56Å; V1643-C1745 WeakPolarHBondContact O-CA 2.78Å; V1643-C1745 VanDerWaalsContact O-CB 3.22Å; V1643-C1745 WeakPolarHBondContact O-CB 3.19Å; H1644-C1745 WeakPolarHBondContact ND1-CB 3.35Å; S1662-C1745 WeakPolarHBondContact CA-O 3.47Å; G1663-C1745 PolarHBondContact N-O 3.4Å; G1663-C1745 PolarHBondContact O-N 2.79Å; Y1664-C1745 VanDerWaalsContact C-SG 3.52Å; Y1664-C1745 PolarHBondContact N-SG 2.99Å; C1687-C1745 WeakPolarHBondContact CA-SG 3.5Å; C1687-C1745 HydrophobicContact CB-CB 3.84Å; C1687-C1745 WeakPolarHBondContact CB-SG 3.21Å; C1687-C1745 VanDerWaalsContact SG-C 3.51Å; C1687-C1745 WeakPolarHBondContact SG-CB 3.41Å; C1687-C1745 CovalentContact SG-SG 2.03Å; C1687-C1745 PolarHBondContact SG-SG 2.76Å |
| 1746 | Q | 98.2 | Very high | 84.7 | Confident | 31 Ų | 31 | 70.8 Ų | 70.8 | 15% | 0.145 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 128 | 176.9 | -176.9 | 87.4 | 92.4 | 0 | 0 | 106.6 | V1643 I1650 P1651 C1653 A1659 W1661 | V1643-Q1746 PolarHBondContact N-O 2.7Å; V1643-Q1746 PolarHBondContact O-N 3.4Å; I1650-Q1746 HydrophobicContact CG2-CB 4.04Å; I1650-Q1746 HydrophobicContact CG2-CG 4.43Å; I1650-Q1746 VanDerWaalsContact CG2-OE1 3.31Å; P1651-Q1746 HydrophobicContact CG-CB 3.9Å; P1651-Q1746 WeakPolarHBondContact O-CB 3.5Å; P1651-Q1746 WeakPolarHBondContact O-CG 3.39Å; C1653-Q1746 VanDerWaalsContact SG-CG 3.51Å; A1659-Q1746 HydrophobicContact CB-CG 4.29Å; W1661-Q1746 VanDerWaalsContact C-NE2 3.35Å; W1661-Q1746 PolarHBondContact O-NE2 3.48Å |
| 1747 | V | 97.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 133.7 | 169.3 | 176.6 | 0 | 0 | 0 | 0 | 108.5 | I1640 I1641 A1642 V1660 W1661 P1684 C1687 | I1640-V1747 HydrophobicContact CD1-CG1 3.57Å; I1640-V1747 HydrophobicContact CG1-CG1 3.56Å; I1641-V1747 CarbonylContact O-C 3.3Å; I1641-V1747 WeakPolarHBondContact O-CA 3.38Å; A1642-V1747 HydrophobicContact CB-CG2 4.27Å; V1660-V1747 HydrophobicContact CB-CG1 4.33Å; V1660-V1747 WeakPolarHBondContact CB-O 3.4Å; V1660-V1747 HydrophobicContact CG2-CG1 4.44Å; V1660-V1747 PolarHBondContact N-O 2.67Å; W1661-V1747 HydrophobicContact CD2-CB 3.8Å; W1661-V1747 HydrophobicContact CD2-CG1 4.25Å; W1661-V1747 HydrophobicContact CD2-CG2 4.04Å; W1661-V1747 VanDerWaalsContact CE2-CG2 3.42Å; W1661-V1747 HydrophobicContact CE3-CB 4.18Å; W1661-V1747 HydrophobicContact CE3-CG1 4.15Å; W1661-V1747 HydrophobicContact CG-CB 4.23Å; W1661-V1747 HydrophobicContact CG-CG2 4.43Å; W1661-V1747 HydrophobicContact CH2-CB 4.4Å; W1661-V1747 HydrophobicContact CH2-CG1 3.91Å; W1661-V1747 HydrophobicContact CH2-CG2 4.41Å; W1661-V1747 HydrophobicContact CZ2-CB 4.06Å; W1661-V1747 HydrophobicContact CZ2-CG1 4.02Å; W1661-V1747 HydrophobicContact CZ2-CG2 3.67Å; W1661-V1747 HydrophobicContact CZ3-CB 4.44Å; W1661-V1747 HydrophobicContact CZ3-CG1 3.97Å; W1661-V1747 PolarHBondContact O-N 3.18Å; P1684-V1747 HydrophobicContact CB-CG1 4.06Å; P1684-V1747 HydrophobicContact CB-CG2 4.23Å; P1684-V1747 HydrophobicContact CG-CG1 4.14Å; C1687-V1747 HydrophobicContact CB-CG2 3.54Å |
| 1748 | C | 96.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 130.7 | -167.9 | -58.6 | 0 | 0 | 0 | 0 | 109.9 | I1640 I1641 C1653 W1657 D1658 | I1640-C1748 CarbonylContact C-O 3.59Å; I1640-C1748 VanDerWaalsContact CA-O 3.32Å; I1640-C1748 WeakPolarHBondContact CA-O 3.17Å; I1640-C1748 WeakPolarHBondContact CG1-O 3.09Å; I1641-C1748 HydrophobicContact CG1-CB 4.21Å; I1641-C1748 PolarHBondContact N-O 3.33Å; I1641-C1748 PolarHBondContact O-N 3.02Å; C1653-C1748 WeakPolarHBondContact CA-SG 3.32Å; C1653-C1748 HydrophobicContact CB-CB 3.82Å; C1653-C1748 WeakPolarHBondContact CB-SG 3.4Å; C1653-C1748 WeakPolarHBondContact SG-CB 3.41Å; C1653-C1748 CovalentContact SG-SG 2.04Å; C1653-C1748 PolarHBondContact SG-SG 2.86Å; W1657-C1748 HydrophobicContact CB-CB 4.11Å; W1657-C1748 HydrophobicContact CE3-CB 4.16Å; D1658-C1748 CarbonylContact O-C 3.45Å; D1658-C1748 VanDerWaalsContact O-CA 3.29Å; D1658-C1748 WeakPolarHBondContact O-CA 3.47Å |
| 1749 | M | 94.4 | Very high | 84.6 | Confident | 24 Ų | 24 | 74.3 Ų | 74.3 | 12% | 0.118 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131.4 | 174.4 | 177.4 | 173.7 | 64.3 | 0 | 0 | 109.1 | T1547 L1636 T1638 I1640 W1657 D1658 V1660 R1751 | T1547-M1749 HydrophobicContact CG2-SD 4.01Å; L1636-M1749 HydrophobicContact CB-SD 4.18Å; L1636-M1749 HydrophobicContact CD1-CG 4.22Å; L1636-M1749 HydrophobicContact CD1-SD 4.03Å; T1638-M1749 WeakPolarHBondContact OG1-CG 3.2Å; I1640-M1749 HydrophobicContact CG1-CB 4.48Å; W1657-M1749 CarbonylContact C-O 3.5Å; W1657-M1749 WeakPolarHBondContact CA-O 3.47Å; W1657-M1749 VanDerWaalsContact CE3-C 3.49Å; D1658-M1749 PolarHBondContact N-O 3.21Å; D1658-M1749 PolarHBondContact O-N 3.04Å; V1660-M1749 HydrophobicContact CG2-CB 3.59Å; M1749-R1751 PolarHBondContact O-N 2.66Å |
| 1750 | K | 93.2 | Very high | 84.2 | Confident | 96 Ų | 96 | 73.5 Ų | 73.5 | 42% | 0.417 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 132.5 | -179.5 | -167.2 | 173.8 | -176.2 | 174.3 | 0 | 108.8 | T1638 Q1639 W1657 | T1638-K1750 VanDerWaalsContact CB-O 3.24Å; T1638-K1750 WeakPolarHBondContact CB-O 3.28Å; T1638-K1750 WeakPolarHBondContact CG2-O 3.33Å; T1638-K1750 PolarHBondContact OG1-O 2.69Å; Q1639-K1750 PolarHBondContact O-N 2.94Å; W1657-K1750 HydrophobicContact CD2-CB 3.73Å; W1657-K1750 HydrophobicContact CD2-CG 4.09Å; W1657-K1750 VanDerWaalsContact CE3-CA 3.49Å; W1657-K1750 HydrophobicContact CE3-CB 3.68Å; W1657-K1750 HydrophobicContact CG-CB 4.43Å; W1657-K1750 HydrophobicContact CH2-CB 3.87Å; W1657-K1750 HydrophobicContact CH2-CD 4.32Å; W1657-K1750 HydrophobicContact CH2-CG 4.43Å; W1657-K1750 HydrophobicContact CZ2-CB 3.94Å; W1657-K1750 HydrophobicContact CZ2-CD 3.86Å; W1657-K1750 HydrophobicContact CZ2-CG 4.01Å; W1657-K1750 HydrophobicContact CZ3-CB 3.74Å |
| 1751 | R | 88.7 | Confident | 83.9 | Confident | 132 Ų | 132 | 69 Ų | 69 | 50% | 0.498 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 132.4 | 172.7 | -73.7 | 176.9 | -177 | 153.1 | 9.3 | 108.5 | G1656 D1658 M1749 | G1656-R1751 VanDerWaalsContact O-CB 3.28Å; G1656-R1751 WeakPolarHBondContact O-CB 3.45Å; G1656-R1751 WeakPolarHBondContact O-CG 3.46Å; G1656-R1751 PolarHBondContact O-N 3.09Å; D1658-R1751 IonicContact OD1-CZ 2.74Å; D1658-R1751 VanDerWaalsContact OD1-CZ 3.27Å; D1658-R1751 IonicContact OD1-NE 3.71Å; D1658-R1751 PolarHBondContact OD1-NE 3.13Å; D1658-R1751 IonicContact OD1-NH2 2.62Å; D1658-R1751 PolarHBondContact OD1-NH2 2.98Å; D1658-R1751 WeakPolarHBondContact OD2-CG 3.29Å; D1658-R1751 IonicContact OD2-CZ 2.97Å; D1658-R1751 IonicContact OD2-NE 3.84Å; D1658-R1751 PolarHBondContact OD2-NE 3.49Å; D1658-R1751 IonicContact OD2-NH2 3.14Å; M1749-R1751 PolarHBondContact O-N 2.66Å |
| 1752 | P | 79.2 | Confident | 83.4 | Confident | 56 Ų | 56 | 66.7 Ų | 66.7 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 143 | 166.5 | 26.6 | -33 | 0 | 0 | 0 | 108 | T1638 L1754 | T1638-P1752 HydrophobicContact CG2-CB 3.97Å; P1752-L1754 PolarHBondContact O-N 3.11Å |
| 1753 | P | 70.6 | Confident | 82.6 | Confident | 98 Ų | 98 | 70.4 Ų | 70.4 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 131.7 | 166.5 | 26.4 | -33 | 0 | 0 | 0 | 107.6 | E1755 | P1753-E1755 PolarHBondContact O-N 3.21Å; P1753-E1755 VanDerWaalsContact O-N 3.15Å |
| 1754 | L | 62.6 | Low | 81.4 | Confident | 154 Ų | 154 | 75.8 Ų | 75.8 | 81% | 0.806 | 40% | 0.402 | S | S | * | . | trans | -65.5 | 114.4 | 169.4 | -71.7 | 165.4 | 0 | 0 | 0 | 106.7 | P1752 S1756 | P1752-L1754 PolarHBondContact O-N 3.11Å; L1754-S1756 PolarHBondContact O-N 2.6Å | ||
| 1755 | E | 47.9 | Very low | 80 | Confident | 164 Ų | 164 | 78.6 Ų | 78.6 | 77% | 0.766 | 42% | 0.422 | S | S | * | . | trans | -61.4 | 118.5 | 167.7 | -68 | 179.1 | 157.6 | 0 | 0 | 107.6 | P1753 | P1753-E1755 PolarHBondContact O-N 3.21Å; P1753-E1755 VanDerWaalsContact O-N 3.15Å | ||
| 1756 | S | 32.5 | Very low | 78.3 | Confident | 188 Ų | 188 | 85.7 Ų | 85.7 | 100% | 1.315 | 46% | 0.461 | S | S | * | . | trans | -104.8 | 0 | -170.1 | 61.5 | 0 | 0 | 0 | 0 | 112 | L1754 | L1754-S1756 PolarHBondContact O-N 2.6Š|
Retrieved 1,756 of 1,756 residues in 818.1 ms
(Link to these results)