| 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 | 51.8 | Low | 65.9 | Low | 214 Ų | 214 | 122.5 Ų | 122.5 | 100% | 1.054 | 61% | 0.614 | S | S | * | * | 0 | -47.5 | 0 | -98.7 | -171.2 | -171.2 | 0 | 0 | 112.6 | I3 K4 L5 | M1-I3 PolarHBondContact O-N 2.98Å; M1-K4 PolarHBondContact O-N 3.19Å; M1-K4 VanDerWaalsContact O-N 3.12Å; M1-L5 PolarHBondContact O-N 3.19Å | |||
| 2 | L | 62.7 | Low | 67.4 | Low | 131 Ų | 131 | 115.6 Ų | 115.6 | 69% | 0.686 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -53.5 | -45.8 | -178.9 | -155.9 | 81.4 | 0 | 0 | 0 | 113.5 | K4 L5 L6 | L2-K4 PolarHBondContact O-N 3.4Å; L2-L5 PolarHBondContact O-N 3.05Å; L2-L6 HydrophobicContact CD2-CD1 4.28Å; L2-L6 HydrophobicContact CG-CD1 4.13Å; L2-L6 WeakPolarHBondContact O-CB 3.45Å; L2-L6 WeakPolarHBondContact O-CG 3.33Å; L2-L6 PolarHBondContact O-N 3.45Å |
| 3 | I | 69.1 | Low | 68.8 | Low | 134 Ų | 134 | 118.5 Ų | 118.5 | 69% | 0.687 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -57.9 | -51.3 | 175.8 | -62.6 | 173.2 | 0 | 0 | 0 | 110.6 | M1 L5 L6 T7 | M1-I3 PolarHBondContact O-N 2.98Å; I3-L5 VanDerWaalsContact C-N 3.29Å; I3-L5 PolarHBondContact O-N 3.31Å; I3-L6 PolarHBondContact O-N 3.2Å; I3-T7 PolarHBondContact O-N 3.26Å; I3-T7 PolarHBondContact O-OG1 3.38Å |
| 4 | K | 70.9 | Confident | 70.3 | Confident | 174 Ų | 174 | 112.9 Ų | 112.9 | 76% | 0.757 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -58.9 | -37.6 | 177.8 | -72.3 | -171.5 | 177.4 | -176.2 | 0 | 112.8 | M1 L2 K8 | M1-K4 PolarHBondContact O-N 3.19Å; M1-K4 VanDerWaalsContact O-N 3.12Å; L2-K4 PolarHBondContact O-N 3.4Å; K4-K8 WeakPolarHBondContact O-CB 3.43Å; K4-K8 PolarHBondContact O-N 2.79Å |
| 5 | L | 67.5 | Low | 71.7 | Confident | 117 Ų | 117 | 109.9 Ų | 109.9 | 61% | 0.613 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.3 | -47.7 | 176.8 | -156.9 | 95.5 | 0 | 0 | 0 | 110.6 | M1 L2 I3 K8 V9 | M1-L5 PolarHBondContact O-N 3.19Å; L2-L5 PolarHBondContact O-N 3.05Å; I3-L5 VanDerWaalsContact C-N 3.29Å; I3-L5 PolarHBondContact O-N 3.31Å; L5-K8 PolarHBondContact O-N 3.29Å; L5-K8 VanDerWaalsContact O-N 3.13Å; L5-V9 WeakPolarHBondContact O-CG2 3.42Å; L5-V9 PolarHBondContact O-N 2.96Å |
| 6 | L | 64.3 | Low | 72.8 | Confident | 83 Ų | 83 | 112.4 Ų | 112.4 | 44% | 0.435 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 176 | -72.3 | 166.5 | 0 | 0 | 0 | 111.9 | L2 I3 K8 V9 F10 | L2-L6 HydrophobicContact CD2-CD1 4.28Å; L2-L6 HydrophobicContact CG-CD1 4.13Å; L2-L6 WeakPolarHBondContact O-CB 3.45Å; L2-L6 WeakPolarHBondContact O-CG 3.33Å; L2-L6 PolarHBondContact O-N 3.45Å; I3-L6 PolarHBondContact O-N 3.2Å; L6-K8 VanDerWaalsContact C-N 3.29Å; L6-K8 PolarHBondContact O-N 3.38Å; L6-V9 PolarHBondContact O-N 2.93Å; L6-F10 HydrophobicContact CB-CD2 4.49Å; L6-F10 HydrophobicContact CD2-CD2 3.93Å; L6-F10 HydrophobicContact CD2-CE2 3.68Å; L6-F10 WeakPolarHBondContact O-CB 3.48Å; L6-F10 WeakPolarHBondContact O-CD2 3.13Å; L6-F10 PolarHBondContact O-N 2.82Å |
| 7 | T | 67.1 | Low | 74 | Confident | 55 Ų | 55 | 107.6 Ų | 107.6 | 34% | 0.337 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.9 | -32.2 | 174.7 | -35.5 | 0 | 0 | 0 | 0 | 111.6 | I3 G11 | I3-T7 PolarHBondContact O-N 3.26Å; I3-T7 PolarHBondContact O-OG1 3.38Å; T7-G11 CarbonylContact O-C 3.45Å; T7-G11 WeakPolarHBondContact O-CA 2.97Å; T7-G11 PolarHBondContact O-N 2.99Å |
| 8 | K | 67.7 | Low | 75.1 | Confident | 190 Ų | 190 | 101.9 Ų | 101.9 | 83% | 0.826 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -72.6 | -32.8 | 176.4 | -155.1 | 178.1 | -174 | -175.4 | 0 | 112.3 | K4 L5 L6 | K4-K8 WeakPolarHBondContact O-CB 3.43Å; K4-K8 PolarHBondContact O-N 2.79Å; L5-K8 PolarHBondContact O-N 3.29Å; L5-K8 VanDerWaalsContact O-N 3.13Å; L6-K8 VanDerWaalsContact C-N 3.29Å; L6-K8 PolarHBondContact O-N 3.38Å |
| 9 | V | 63.5 | Low | 76.1 | Confident | 102 Ų | 102 | 102.4 Ų | 102.4 | 62% | 0.618 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -83.5 | -48.5 | 180 | 175 | 0 | 0 | 0 | 0 | 112 | L5 L6 | L5-V9 WeakPolarHBondContact O-CG2 3.42Å; L5-V9 PolarHBondContact O-N 2.96Å; L6-V9 PolarHBondContact O-N 2.93Å |
| 10 | F | 67.7 | Low | 77 | Confident | 133 Ų | 133 | 104 Ų | 104 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -93.6 | -15.1 | -177 | -65.9 | -76.6 | 0 | 0 | 0 | 113.6 | L6 R19 | L6-F10 HydrophobicContact CB-CD2 4.49Å; L6-F10 HydrophobicContact CD2-CD2 3.93Å; L6-F10 HydrophobicContact CD2-CE2 3.68Å; L6-F10 WeakPolarHBondContact O-CB 3.48Å; L6-F10 WeakPolarHBondContact O-CD2 3.13Å; L6-F10 PolarHBondContact O-N 2.82Å; F10-R19 PolarHBondContact O-NH2 3.13Å |
| 11 | G | 73.2 | Confident | 78 | Confident | 15 Ų | 15 | 99.1 Ų | 99.1 | 16% | 0.155 | 47% | 0.471 | C | S | . | . | trans | 75.9 | 162.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T7 | T7-G11 CarbonylContact O-C 3.45Å; T7-G11 WeakPolarHBondContact O-CA 2.97Å; T7-G11 PolarHBondContact O-N 2.99Å | ||
| 12 | S | 83.5 | Confident | 80.1 | Confident | 39 Ų | 39 | 94.6 Ų | 94.6 | 27% | 0.273 | 44% | 0.442 | S | S | . | . | trans | -67.3 | 171 | 169.4 | 66.6 | 0 | 0 | 0 | 0 | 111.6 | N14 D15 R16 | S12-N14 PolarHBondContact O-N 3.47Å; S12-N14 PolarHBondContact OG-N 2.83Å; S12-D15 WeakPolarHBondContact CB-OD2 3.24Å; S12-D15 PolarHBondContact N-OD2 3.27Å; S12-D15 PolarHBondContact O-N 2.91Å; S12-D15 PolarHBondContact OG-N 3.11Å; S12-D15 PolarHBondContact OG-OD2 3.33Å; S12-R16 PolarHBondContact O-N 2.82Å; S12-R16 VanDerWaalsContact O-N 3.14Å | ||
| 13 | R | 85.4 | Confident | 81.8 | Confident | 154 Ų | 154 | 95.6 Ų | 95.6 | 58% | 0.581 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -54.8 | -45.6 | 169.5 | -174.2 | -178.3 | -178.8 | -155.7 | -4.1 | 110.2 | D15 R16 T17 D408 | R13-D15 PolarHBondContact O-N 3.06Å; R13-R16 PolarHBondContact O-N 3.09Å; R13-T17 PolarHBondContact O-N 3.41Å; R13-T17 VanDerWaalsContact O-N 3.1Å; R13-T17 PolarHBondContact O-OG1 3.47Å; R13-D408 IonicContact CZ-OD1 2.95Å; R13-D408 IonicContact CZ-OD2 3.37Å; R13-D408 IonicContact NH1-OD1 3.68Å; R13-D408 PolarHBondContact NH1-OD1 3.04Å; R13-D408 IonicContact NH1-OD2 2.72Å; R13-D408 PolarHBondContact NH1-OD2 3.23Å; R13-D408 IonicContact NH2-OD1 2.75Å; R13-D408 PolarHBondContact NH2-OD1 3.2Å; R13-D408 IonicContact NH2-OD2 2.96Å; R13-D408 PolarHBondContact NH2-OD2 2.96Å |
| 14 | N | 90.4 | Very high | 83.1 | Confident | 39 Ų | 39 | 91 Ų | 91 | 21% | 0.209 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -55.2 | -49.5 | 175.5 | -165.1 | 65.5 | 0 | 0 | 0 | 112.1 | S12 R16 T17 L18 V410 V411 | S12-N14 PolarHBondContact O-N 3.47Å; S12-N14 PolarHBondContact OG-N 2.83Å; N14-R16 VanDerWaalsContact C-N 3.26Å; N14-R16 PolarHBondContact O-N 3.09Å; N14-T17 PolarHBondContact O-N 3.37Å; N14-L18 WeakPolarHBondContact O-CG 3.4Å; N14-L18 PolarHBondContact O-N 3.03Å; N14-V410 WeakPolarHBondContact OD1-CA 3.5Å; N14-V410 VanDerWaalsContact OD1-CG1 3.26Å; N14-V410 WeakPolarHBondContact OD1-CG1 3.3Å; N14-V411 PolarHBondContact ND2-O 3Å; N14-V411 PolarHBondContact OD1-N 3.15Å |
| 15 | D | 90.1 | Very high | 84.4 | Confident | 68 Ų | 68 | 82.9 Ų | 82.9 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.2 | -30.1 | -178.9 | -61.3 | -46.3 | 0 | 0 | 0 | 113.2 | S12 R13 R19 | S12-D15 WeakPolarHBondContact CB-OD2 3.24Å; S12-D15 PolarHBondContact N-OD2 3.27Å; S12-D15 PolarHBondContact O-N 2.91Å; S12-D15 PolarHBondContact OG-N 3.11Å; S12-D15 PolarHBondContact OG-OD2 3.33Å; R13-D15 PolarHBondContact O-N 3.06Å; D15-R19 VanDerWaalsContact O-CB 3.28Å; D15-R19 WeakPolarHBondContact O-CB 3.33Å; D15-R19 VanDerWaalsContact O-CG 3.3Å; D15-R19 WeakPolarHBondContact O-CG 3.4Å; D15-R19 PolarHBondContact O-N 3Å; D15-R19 VanDerWaalsContact O-N 3.08Å; D15-R19 PolarHBondContact O-NE 2.92Å |
| 16 | R | 89.7 | Confident | 85.8 | Confident | 150 Ų | 150 | 82.3 Ų | 82.3 | 57% | 0.566 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -73.6 | -44.4 | 176.9 | -72.9 | -174.1 | -71.5 | 160.5 | -1.8 | 111 | S12 R13 N14 R19 R20 | S12-R16 PolarHBondContact O-N 2.82Å; S12-R16 VanDerWaalsContact O-N 3.14Å; R13-R16 PolarHBondContact O-N 3.09Å; N14-R16 VanDerWaalsContact C-N 3.26Å; N14-R16 PolarHBondContact O-N 3.09Å; R16-R19 PolarHBondContact O-N 3.34Å; R16-R20 PolarHBondContact O-N 3.49Å; R16-R20 VanDerWaalsContact O-N 3.08Å |
| 17 | T | 92.8 | Very high | 87.4 | Confident | 31 Ų | 31 | 82.4 Ų | 82.4 | 19% | 0.19 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.9 | -51 | 174.3 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | R13 N14 R19 R20 M21 V410 | R13-T17 PolarHBondContact O-N 3.41Å; R13-T17 VanDerWaalsContact O-N 3.1Å; R13-T17 PolarHBondContact O-OG1 3.47Å; N14-T17 PolarHBondContact O-N 3.37Å; T17-R19 VanDerWaalsContact C-N 3.35Å; T17-R19 PolarHBondContact O-N 3.26Å; T17-R20 WeakPolarHBondContact O-CB 3.07Å; T17-R20 PolarHBondContact O-N 3.33Å; T17-R20 VanDerWaalsContact O-N 3.16Å; T17-M21 HydrophobicContact CG2-CE 3.77Å; T17-M21 HydrophobicContact CG2-SD 4.08Å; T17-M21 PolarHBondContact O-N 2.88Å; T17-M21 VanDerWaalsContact O-N 3.07Å; T17-V410 HydrophobicContact CG2-CG2 4.39Å |
| 18 | L | 94.6 | Very high | 88.9 | Confident | 5 Ų | 5 | 79.8 Ų | 79.8 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 178.5 | -66.4 | 177 | 0 | 0 | 0 | 112.6 | N14 R20 M21 R22 L89 V410 | N14-L18 WeakPolarHBondContact O-CG 3.4Å; N14-L18 PolarHBondContact O-N 3.03Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 2.93Å; L18-M21 PolarHBondContact O-N 3.43Å; L18-R22 WeakPolarHBondContact O-CB 3.14Å; L18-R22 VanDerWaalsContact O-CG 3.29Å; L18-R22 WeakPolarHBondContact O-CG 3.46Å; L18-R22 PolarHBondContact O-N 3.06Å; L18-L89 HydrophobicContact CD2-CD1 4.34Å; L18-V410 HydrophobicContact CD2-CG1 3.95Å; L18-V410 HydrophobicContact CG-CG1 4.37Å |
| 19 | R | 93.8 | Very high | 90.4 | Very high | 111 Ų | 111 | 72.6 Ų | 72.6 | 42% | 0.419 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 175.7 | -88.3 | 179.4 | -79.6 | 162.3 | -3.8 | 112.7 | F10 D15 R16 T17 | F10-R19 PolarHBondContact O-NH2 3.13Å; D15-R19 VanDerWaalsContact O-CB 3.28Å; D15-R19 WeakPolarHBondContact O-CB 3.33Å; D15-R19 VanDerWaalsContact O-CG 3.3Å; D15-R19 WeakPolarHBondContact O-CG 3.4Å; D15-R19 PolarHBondContact O-N 3Å; D15-R19 VanDerWaalsContact O-N 3.08Å; D15-R19 PolarHBondContact O-NE 2.92Å; R16-R19 PolarHBondContact O-N 3.34Å; T17-R19 VanDerWaalsContact C-N 3.35Å; T17-R19 PolarHBondContact O-N 3.26Å |
| 20 | R | 94.7 | Very high | 92 | Very high | 134 Ų | 134 | 71.2 Ų | 71.2 | 51% | 0.506 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.6 | -51 | 173.4 | -176 | -172.6 | 67 | -162.9 | -7.5 | 110.3 | R16 T17 L18 R22 K23 E96 | R16-R20 PolarHBondContact O-N 3.49Å; R16-R20 VanDerWaalsContact O-N 3.08Å; T17-R20 WeakPolarHBondContact O-CB 3.07Å; T17-R20 PolarHBondContact O-N 3.33Å; T17-R20 VanDerWaalsContact O-N 3.16Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 2.93Å; R20-R22 PolarHBondContact O-N 2.94Å; R20-K23 WeakPolarHBondContact O-CB 3.41Å; R20-K23 PolarHBondContact O-N 3.1Å; R20-E96 IonicContact CZ-OE1 3.46Å; R20-E96 IonicContact CZ-OE2 3.54Å; R20-E96 IonicContact NH2-OE1 3.49Å; R20-E96 PolarHBondContact NH2-OE1 2.99Å; R20-E96 IonicContact NH2-OE2 3.2Å; R20-E96 PolarHBondContact NH2-OE2 3.44Å |
| 21 | M | 97.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -35.2 | -178.8 | -68.2 | 171.5 | 171.8 | 0 | 0 | 113 | T17 L18 K23 V24 V25 L89 M92 V93 E96 | T17-M21 HydrophobicContact CG2-CE 3.77Å; T17-M21 HydrophobicContact CG2-SD 4.08Å; T17-M21 PolarHBondContact O-N 2.88Å; T17-M21 VanDerWaalsContact O-N 3.07Å; L18-M21 PolarHBondContact O-N 3.43Å; M21-K23 PolarHBondContact O-N 2.76Å; M21-V24 WeakPolarHBondContact O-CA 3.23Å; M21-V24 WeakPolarHBondContact O-CB 3.48Å; M21-V24 PolarHBondContact O-N 3.33Å; M21-V25 PolarHBondContact O-N 2.96Å; M21-L89 HydrophobicContact CB-CD2 3.51Å; M21-M92 HydrophobicContact CB-CE 3.92Å; M21-M92 HydrophobicContact CB-SD 4.05Å; M21-M92 HydrophobicContact CE-CB 4.18Å; M21-M92 HydrophobicContact CG-CB 4.25Å; M21-M92 HydrophobicContact CG-SD 4.21Å; M21-M92 HydrophobicContact SD-CB 4.09Å; M21-V93 HydrophobicContact CE-CG2 3.85Å; M21-V93 HydrophobicContact SD-CG2 3.74Å; M21-E96 HydrophobicContact CE-CG 4.2Å; M21-E96 VanDerWaalsContact CE-OE1 3.27Å; M21-E96 WeakPolarHBondContact CE-OE1 3.37Å; M21-E96 WeakPolarHBondContact CE-OE2 3.26Å |
| 22 | R | 96.8 | Very high | 94.4 | Very high | 119 Ų | 119 | 67.6 Ų | 67.6 | 45% | 0.449 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.2 | -29.4 | 174.9 | -79.7 | 179.1 | -165.2 | 169.7 | 5 | 113.5 | L18 R20 V24 V25 N26 L89 | L18-R22 WeakPolarHBondContact O-CB 3.14Å; L18-R22 VanDerWaalsContact O-CG 3.29Å; L18-R22 WeakPolarHBondContact O-CG 3.46Å; L18-R22 PolarHBondContact O-N 3.06Å; R20-R22 PolarHBondContact O-N 2.94Å; R22-V24 VanDerWaalsContact C-N 3.29Å; R22-V25 PolarHBondContact O-N 2.56Å; R22-N26 PolarHBondContact O-N 2.65Å; R22-N26 VanDerWaalsContact O-N 3.09Å; R22-L89 HydrophobicContact CG-CD1 4.3Å; R22-L89 HydrophobicContact CG-CD2 4.04Å |
| 23 | K | 97.1 | Very high | 95.1 | Very high | 152 Ų | 152 | 69 Ų | 69 | 66% | 0.661 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.2 | -39.3 | 173.8 | -63.4 | -178.6 | 178.7 | -177 | 0 | 111.2 | R20 M21 N26 I27 | R20-K23 WeakPolarHBondContact O-CB 3.41Å; R20-K23 PolarHBondContact O-N 3.1Å; M21-K23 PolarHBondContact O-N 2.76Å; K23-N26 PolarHBondContact O-N 3.16Å; K23-I27 WeakPolarHBondContact O-CG1 3.37Å; K23-I27 PolarHBondContact O-N 3.3Å |
| 24 | V | 97.4 | Very high | 95.6 | Very high | 39 Ų | 39 | 67.7 Ų | 67.7 | 24% | 0.236 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.4 | -41 | 176.1 | -174.3 | 0 | 0 | 0 | 0 | 110.7 | M21 R22 N26 I27 I28 I64 P65 M92 | M21-V24 WeakPolarHBondContact O-CA 3.23Å; M21-V24 WeakPolarHBondContact O-CB 3.48Å; M21-V24 PolarHBondContact O-N 3.33Å; R22-V24 VanDerWaalsContact C-N 3.29Å; V24-N26 VanDerWaalsContact C-N 3.26Å; V24-N26 PolarHBondContact O-N 3.41Å; V24-I27 WeakPolarHBondContact O-CB 3.36Å; V24-I27 PolarHBondContact O-N 3.27Å; V24-I28 HydrophobicContact CG1-CD1 4.09Å; V24-I28 HydrophobicContact CG1-CG1 4.48Å; V24-I28 WeakPolarHBondContact O-CG1 3.42Å; V24-I28 PolarHBondContact O-N 2.8Å; V24-I64 HydrophobicContact CG1-CG2 4.1Å; V24-P65 HydrophobicContact CG1-CG 4.05Å; V24-M92 HydrophobicContact CB-CE 4.3Å; V24-M92 HydrophobicContact CB-SD 3.69Å; V24-M92 HydrophobicContact CG1-SD 3.73Å; V24-M92 HydrophobicContact CG2-SD 4.28Å |
| 25 | V | 97.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -53.3 | -43.7 | 172.1 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | M21 R22 I27 I28 N29 D85 L88 L89 M92 | M21-V25 PolarHBondContact O-N 2.96Å; R22-V25 PolarHBondContact O-N 2.56Å; V25-I27 VanDerWaalsContact C-N 3.3Å; V25-I27 PolarHBondContact O-N 2.9Å; V25-I28 PolarHBondContact O-N 3.12Å; V25-N29 WeakPolarHBondContact O-CB 3.44Å; V25-N29 PolarHBondContact O-N 3.34Å; V25-D85 HydrophobicContact CG1-CB 3.81Å; V25-L88 HydrophobicContact CB-CD1 4.5Å; V25-L88 HydrophobicContact CG1-CD1 4.03Å; V25-L88 HydrophobicContact CG2-CB 3.99Å; V25-L88 HydrophobicContact CG2-CD1 4.39Å; V25-L89 HydrophobicContact CG2-CD2 3.67Å; V25-L89 HydrophobicContact CG2-CG 4.03Å; V25-M92 HydrophobicContact CG2-CE 3.53Å |
| 26 | N | 97.9 | Very high | 96.2 | Very high | 105 Ų | 105 | 68 Ų | 68 | 56% | 0.561 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.5 | -35.9 | 178 | -67 | -16.9 | 0 | 0 | 0 | 112.6 | R22 K23 V24 A30 | R22-N26 PolarHBondContact O-N 2.65Å; R22-N26 VanDerWaalsContact O-N 3.09Å; K23-N26 PolarHBondContact O-N 3.16Å; V24-N26 VanDerWaalsContact C-N 3.26Å; V24-N26 PolarHBondContact O-N 3.41Å; N26-A30 WeakPolarHBondContact O-CB 3.43Å; N26-A30 PolarHBondContact O-N 2.96Å |
| 27 | I | 98 | Very high | 96.5 | Very high | 84 Ų | 84 | 68.8 Ų | 68.8 | 43% | 0.431 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.6 | -46.6 | 175.1 | -62.3 | 168 | 0 | 0 | 0 | 109.8 | K23 V24 V25 N29 A30 M31 P65 | K23-I27 WeakPolarHBondContact O-CG1 3.37Å; K23-I27 PolarHBondContact O-N 3.3Å; V24-I27 WeakPolarHBondContact O-CB 3.36Å; V24-I27 PolarHBondContact O-N 3.27Å; V25-I27 VanDerWaalsContact C-N 3.3Å; V25-I27 PolarHBondContact O-N 2.9Å; I27-N29 VanDerWaalsContact C-N 3.32Å; I27-N29 PolarHBondContact O-N 2.99Å; I27-A30 WeakPolarHBondContact O-CB 3.5Å; I27-A30 PolarHBondContact O-N 3.4Å; I27-M31 HydrophobicContact CG2-CE 3.84Å; I27-M31 HydrophobicContact CG2-SD 4.32Å; I27-M31 WeakPolarHBondContact O-CG 3.42Å; I27-M31 PolarHBondContact O-N 3.03Å; I27-M31 VanDerWaalsContact O-N 3.11Å; I27-P65 HydrophobicContact CG2-CB 3.9Å; I27-P65 HydrophobicContact CG2-CG 4.49Å |
| 28 | I | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.4 | -45.3 | 176.7 | -62.8 | 162.6 | 0 | 0 | 0 | 110.6 | V24 V25 A30 M31 E32 P65 F68 A69 L88 | V24-I28 HydrophobicContact CG1-CD1 4.09Å; V24-I28 HydrophobicContact CG1-CG1 4.48Å; V24-I28 WeakPolarHBondContact O-CG1 3.42Å; V24-I28 PolarHBondContact O-N 2.8Å; V25-I28 PolarHBondContact O-N 3.12Å; I28-A30 VanDerWaalsContact C-N 3.29Å; I28-A30 PolarHBondContact O-N 2.8Å; I28-M31 PolarHBondContact O-N 3.05Å; I28-E32 PolarHBondContact O-N 3.19Å; I28-P65 HydrophobicContact CG1-CB 4.16Å; I28-F68 HydrophobicContact CD1-CB 3.83Å; I28-F68 HydrophobicContact CD1-CD2 4.08Å; I28-F68 HydrophobicContact CD1-CG 4.37Å; I28-F68 HydrophobicContact CG1-CB 4.35Å; I28-F68 HydrophobicContact CG2-CB 4.45Å; I28-A69 HydrophobicContact CG2-CB 4.06Å; I28-L88 HydrophobicContact CB-CD1 3.98Å; I28-L88 HydrophobicContact CD1-CD1 3.91Å; I28-L88 HydrophobicContact CD1-CD2 4.46Å; I28-L88 HydrophobicContact CG2-CD1 3.67Å; I28-L88 HydrophobicContact CG2-CD2 4.38Å |
| 29 | N | 97.9 | Very high | 96.8 | Very high | 39 Ų | 39 | 71.6 Ų | 71.6 | 21% | 0.209 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.4 | -36.6 | 176 | -74.9 | -19.6 | 0 | 0 | 0 | 112 | V25 I27 M31 E32 R72 R82 D85 | V25-N29 WeakPolarHBondContact O-CB 3.44Å; V25-N29 PolarHBondContact O-N 3.34Å; I27-N29 VanDerWaalsContact C-N 3.32Å; I27-N29 PolarHBondContact O-N 2.99Å; N29-M31 VanDerWaalsContact C-N 3.3Å; N29-M31 PolarHBondContact O-N 3.36Å; N29-E32 WeakPolarHBondContact O-CB 3.14Å; N29-E32 PolarHBondContact O-N 3.36Å; N29-R72 PolarHBondContact OD1-NH1 3.03Å; N29-R72 PolarHBondContact OD1-NH2 3.39Å; N29-R82 PolarHBondContact OD1-NH2 3.38Å; N29-D85 PolarHBondContact ND2-OD1 3.47Å; N29-D85 PolarHBondContact ND2-OD2 3.22Å; N29-D85 PolarHBondContact OD1-OD1 3.07Å |
| 30 | A | 97.6 | Very high | 97 | Very high | 73 Ų | 73 | 70.3 Ų | 70.3 | 60% | 0.603 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -71.6 | -22.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N26 I27 I28 P33 | N26-A30 WeakPolarHBondContact O-CB 3.43Å; N26-A30 PolarHBondContact O-N 2.96Å; I27-A30 WeakPolarHBondContact O-CB 3.5Å; I27-A30 PolarHBondContact O-N 3.4Å; I28-A30 VanDerWaalsContact C-N 3.29Å; I28-A30 PolarHBondContact O-N 2.8Å; A30-P33 WeakPolarHBondContact O-CD 3.49Å |
| 31 | M | 97.4 | Very high | 97.1 | Very high | 40 Ų | 40 | 70.6 Ų | 70.6 | 20% | 0.197 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -80.6 | -14.7 | 175.9 | -68.9 | 171.1 | 166.9 | 0 | 0 | 113.2 | I27 I28 N29 E34 M35 P65 E66 A69 | I27-M31 HydrophobicContact CG2-CE 3.84Å; I27-M31 HydrophobicContact CG2-SD 4.32Å; I27-M31 WeakPolarHBondContact O-CG 3.42Å; I27-M31 PolarHBondContact O-N 3.03Å; I27-M31 VanDerWaalsContact O-N 3.11Å; I28-M31 PolarHBondContact O-N 3.05Å; N29-M31 VanDerWaalsContact C-N 3.3Å; N29-M31 PolarHBondContact O-N 3.36Å; M31-E34 PolarHBondContact O-N 3.04Å; M31-M35 WeakPolarHBondContact O-CG 3.34Å; M31-M35 PolarHBondContact O-N 3.48Å; M31-M35 VanDerWaalsContact O-N 3.08Å; M31-P65 HydrophobicContact CE-CB 4.09Å; M31-P65 HydrophobicContact SD-CB 4.06Å; M31-E66 HydrophobicContact CE-CG 3.81Å; M31-E66 HydrophobicContact SD-CG 4.15Å; M31-A69 HydrophobicContact CB-CB 4Å; M31-A69 HydrophobicContact SD-CB 4.38Å |
| 32 | E | 95.3 | Very high | 97.1 | Very high | 31 Ų | 31 | 75.7 Ų | 75.7 | 15% | 0.145 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -54.7 | -45.6 | -176 | -173.3 | 165.4 | -163.9 | 0 | 0 | 113.4 | I28 N29 E34 M35 E36 K76 R82 | I28-E32 PolarHBondContact O-N 3.19Å; N29-E32 WeakPolarHBondContact O-CB 3.14Å; N29-E32 PolarHBondContact O-N 3.36Å; E32-E34 PolarHBondContact O-N 3.12Å; E32-M35 PolarHBondContact O-N 3.31Å; E32-E36 WeakPolarHBondContact O-CG 3.23Å; E32-E36 PolarHBondContact O-N 3.31Å; E32-K76 IonicContact OE1-NZ 3.47Å; E32-K76 PolarHBondContact OE1-NZ 2.95Å; E32-R82 IonicContact OE1-CZ 3.91Å; E32-R82 IonicContact OE1-NE 2.66Å; E32-R82 PolarHBondContact OE1-NE 3.49Å; E32-R82 IonicContact OE1-NH2 3.55Å; E32-R82 IonicContact OE2-CZ 3.75Å; E32-R82 IonicContact OE2-NE 2.65Å; E32-R82 PolarHBondContact OE2-NE 3.35Å; E32-R82 VanDerWaalsContact OE2-NE 3.15Å; E32-R82 IonicContact OE2-NH2 3.96Å; E32-R82 PolarHBondContact OE2-NH2 2.78Å |
| 33 | P | 96.9 | Very high | 97.1 | Very high | 68 Ų | 68 | 70 Ų | 70 | 44% | 0.442 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.8 | -20.9 | 178.1 | -21 | 34.2 | 0 | 0 | 0 | 114.8 | A30 K37 | A30-P33 WeakPolarHBondContact O-CD 3.49Å; P33-K37 WeakPolarHBondContact O-CD 3.4Å; P33-K37 WeakPolarHBondContact O-CE 3.47Å; P33-K37 WeakPolarHBondContact O-CG 3.37Å |
| 34 | E | 96.4 | Very high | 97.1 | Very high | 127 Ų | 127 | 67 Ų | 67 | 59% | 0.593 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -82.1 | -41.1 | 175.1 | -64.4 | -177.1 | 170.2 | 0 | 0 | 110.5 | M31 E32 K37 | M31-E34 PolarHBondContact O-N 3.04Å; E32-E34 PolarHBondContact O-N 3.12Å; E34-K37 PolarHBondContact O-N 3.33Å |
| 35 | M | 96.2 | Very high | 97.1 | Very high | 13 Ų | 13 | 67 Ų | 67 | 6% | 0.064 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 176.9 | -62.3 | -59.9 | 166 | 0 | 0 | 112.3 | M31 E32 K37 L38 L43 A69 V70 E73 R77 | M31-M35 WeakPolarHBondContact O-CG 3.34Å; M31-M35 PolarHBondContact O-N 3.48Å; M31-M35 VanDerWaalsContact O-N 3.08Å; E32-M35 PolarHBondContact O-N 3.31Å; M35-K37 PolarHBondContact O-N 3.17Å; M35-L38 WeakPolarHBondContact O-CB 3.31Å; M35-L38 PolarHBondContact O-N 3.45Å; M35-L38 VanDerWaalsContact O-N 3.15Å; M35-L38 HydrophobicContact SD-CD1 3.89Å; M35-L43 HydrophobicContact SD-CD1 4.39Å; M35-A69 HydrophobicContact CE-CB 4.04Å; M35-A69 HydrophobicContact CG-CB 3.96Å; M35-V70 HydrophobicContact CE-CG2 4.04Å; M35-V70 HydrophobicContact SD-CG2 3.78Å; M35-E73 HydrophobicContact CB-CB 3.95Å; M35-E73 HydrophobicContact CB-CG 4.03Å; M35-R77 PolarHBondContact O-NH2 3.22Å |
| 36 | E | 95.9 | Very high | 97.1 | Very high | 101 Ų | 101 | 68.7 Ų | 68.7 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26.7 | 176.3 | -76.2 | -179.2 | 167.3 | 0 | 0 | 113.4 | E32 K76 | E32-E36 WeakPolarHBondContact O-CG 3.23Å; E32-E36 PolarHBondContact O-N 3.31Å; E36-K76 IonicContact OE1-NZ 3.49Å; E36-K76 PolarHBondContact OE1-NZ 3.35Å |
| 37 | K | 96.9 | Very high | 97.1 | Very high | 166 Ų | 166 | 63.9 Ų | 63.9 | 72% | 0.722 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -18.8 | 179.6 | -67.6 | 170 | -172.5 | 169.9 | 0 | 113.4 | P33 E34 M35 | P33-K37 WeakPolarHBondContact O-CD 3.4Å; P33-K37 WeakPolarHBondContact O-CE 3.47Å; P33-K37 WeakPolarHBondContact O-CG 3.37Å; E34-K37 PolarHBondContact O-N 3.33Å; M35-K37 PolarHBondContact O-N 3.17Å |
| 38 | L | 96.6 | Very high | 97.1 | Very high | 39 Ų | 39 | 63 Ų | 63 | 20% | 0.204 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -72.5 | 136.7 | -178.8 | -59.5 | -179.6 | 0 | 0 | 0 | 109.9 | M35 E42 L43 K46 R77 | M35-L38 WeakPolarHBondContact O-CB 3.31Å; M35-L38 PolarHBondContact O-N 3.45Å; M35-L38 VanDerWaalsContact O-N 3.15Å; M35-L38 HydrophobicContact SD-CD1 3.89Å; L38-E42 HydrophobicContact CB-CB 4.05Å; L38-E42 HydrophobicContact CD2-CB 4.17Å; L38-L43 HydrophobicContact CB-CB 4.42Å; L38-L43 HydrophobicContact CD1-CD1 4.12Å; L38-K46 HydrophobicContact CD1-CG 4.46Å; L38-R77 VanDerWaalsContact O-CZ 3.27Å; L38-R77 PolarHBondContact O-NH1 3.35Å; L38-R77 PolarHBondContact O-NH2 3.18Å |
| 39 | S | 97.3 | Very high | 97.1 | Very high | 56 Ų | 56 | 66.6 Ų | 66.6 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | trans | -64.6 | 163.8 | 164 | 62.3 | 0 | 0 | 0 | 0 | 111.1 | E41 E42 L43 | S39-E41 PolarHBondContact O-N 2.94Å; S39-E42 WeakPolarHBondContact CB-OE2 3.34Å; S39-E42 PolarHBondContact N-OE2 2.81Å; S39-E42 PolarHBondContact O-N 2.99Å; S39-E42 VanDerWaalsContact OG-CD 3.29Å; S39-E42 VanDerWaalsContact OG-CG 3.26Å; S39-E42 WeakPolarHBondContact OG-CG 3.4Å; S39-E42 PolarHBondContact OG-N 3.41Å; S39-E42 PolarHBondContact OG-OE2 3.12Å; S39-L43 WeakPolarHBondContact O-CB 3.23Å; S39-L43 PolarHBondContact O-N 3.34Å | ||
| 40 | D | 97.6 | Very high | 97.1 | Very high | 85 Ų | 85 | 64.8 Ų | 64.8 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.7 | -38 | 178.5 | -68.6 | -9.9 | 0 | 0 | 0 | 111.9 | L43 K44 R77 F149 | D40-L43 PolarHBondContact O-N 3.01Å; D40-K44 WeakPolarHBondContact O-CB 3.37Å; D40-K44 PolarHBondContact O-N 2.99Å; D40-R77 WeakPolarHBondContact OD1-CD 3.46Å; D40-R77 IonicContact OD1-CZ 3.04Å; D40-R77 IonicContact OD1-NE 3.51Å; D40-R77 IonicContact OD1-NH1 2.73Å; D40-R77 PolarHBondContact OD1-NH1 3.24Å; D40-F149 HydrophobicContact CB-CE2 3.78Å; D40-F149 HydrophobicContact CB-CZ 3.81Å |
| 41 | E | 96.8 | Very high | 97.2 | Very high | 140 Ų | 140 | 64.6 Ų | 64.6 | 65% | 0.654 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -68.5 | -39.4 | 176.8 | -68 | -63.9 | 173.9 | 0 | 0 | 112.7 | S39 G45 | S39-E41 PolarHBondContact O-N 2.94Å; E41-G45 PolarHBondContact O-N 3.06Å |
| 42 | E | 97.4 | Very high | 97.2 | Very high | 108 Ų | 108 | 64.4 Ų | 64.4 | 51% | 0.505 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 175.1 | -72.3 | 166.1 | 135 | 0 | 0 | 111.6 | L38 S39 G45 K46 | L38-E42 HydrophobicContact CB-CB 4.05Å; L38-E42 HydrophobicContact CD2-CB 4.17Å; S39-E42 WeakPolarHBondContact CB-OE2 3.34Å; S39-E42 PolarHBondContact N-OE2 2.81Å; S39-E42 PolarHBondContact O-N 2.99Å; S39-E42 VanDerWaalsContact OG-CD 3.29Å; S39-E42 VanDerWaalsContact OG-CG 3.26Å; S39-E42 WeakPolarHBondContact OG-CG 3.4Å; S39-E42 PolarHBondContact OG-N 3.41Å; S39-E42 PolarHBondContact OG-OE2 3.12Å; E42-G45 PolarHBondContact O-N 3.12Å; E42-K46 PolarHBondContact O-N 3.17Å |
| 43 | L | 96.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.5 | -41 | 177.7 | -169.3 | 61.2 | 0 | 0 | 0 | 111.3 | M35 L38 S39 D40 G45 K46 V70 E73 A74 F149 | M35-L43 HydrophobicContact SD-CD1 4.39Å; L38-L43 HydrophobicContact CB-CB 4.42Å; L38-L43 HydrophobicContact CD1-CD1 4.12Å; S39-L43 WeakPolarHBondContact O-CB 3.23Å; S39-L43 PolarHBondContact O-N 3.34Å; D40-L43 PolarHBondContact O-N 3.01Å; L43-G45 VanDerWaalsContact C-N 3.34Å; L43-K46 WeakPolarHBondContact O-CB 3.32Å; L43-K46 PolarHBondContact O-N 3.47Å; L43-V70 HydrophobicContact CD1-CB 4.2Å; L43-V70 HydrophobicContact CD1-CG1 3.87Å; L43-V70 HydrophobicContact CD1-CG2 4.02Å; L43-V70 HydrophobicContact CG-CG1 4.37Å; L43-E73 HydrophobicContact CD2-CB 4.2Å; L43-E73 HydrophobicContact CD2-CG 3.8Å; L43-A74 HydrophobicContact CD2-CB 4.3Å; L43-F149 HydrophobicContact CD2-CE1 3.83Å; L43-F149 HydrophobicContact CD2-CZ 4.3Å; L43-F149 HydrophobicContact CG-CE1 4.33Å |
| 44 | K | 97.4 | Very high | 97.4 | Very high | 90 Ų | 90 | 63.6 Ų | 63.6 | 39% | 0.391 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 170 | -177.6 | 176.4 | -179.5 | 179.4 | 0 | 112 | D40 K46 T47 F149 | D40-K44 WeakPolarHBondContact O-CB 3.37Å; D40-K44 PolarHBondContact O-N 2.99Å; K44-K46 PolarHBondContact O-N 3.01Å; K44-K46 VanDerWaalsContact O-N 3.15Å; K44-T47 PolarHBondContact O-N 2.85Å; K44-T47 VanDerWaalsContact O-N 3.14Å; K44-F149 WeakPolarHBondContact CB-O 3.32Å; K44-F149 WeakPolarHBondContact CG-O 3.44Å |
| 45 | G | 97.6 | Very high | 97.4 | Very high | 37 Ų | 37 | 65.4 Ų | 65.4 | 38% | 0.381 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.6 | -23.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E41 E42 L43 T47 A48 E49 | E41-G45 PolarHBondContact O-N 3.06Å; E42-G45 PolarHBondContact O-N 3.12Å; L43-G45 VanDerWaalsContact C-N 3.34Å; G45-T47 PolarHBondContact O-N 3.34Å; G45-A48 PolarHBondContact O-N 3.2Å; G45-E49 PolarHBondContact O-N 3.14Å; G45-E49 VanDerWaalsContact O-N 3.13Å |
| 46 | K | 98.1 | Very high | 97.4 | Very high | 39 Ų | 39 | 73.4 Ų | 73.4 | 17% | 0.17 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.2 | -32.3 | 174.7 | -71.4 | -69.6 | 177.9 | -170.1 | 0 | 113.4 | L38 E42 L43 K44 A48 E49 F50 V70 | L38-K46 HydrophobicContact CD1-CG 4.46Å; E42-K46 PolarHBondContact O-N 3.17Å; L43-K46 WeakPolarHBondContact O-CB 3.32Å; L43-K46 PolarHBondContact O-N 3.47Å; K44-K46 PolarHBondContact O-N 3.01Å; K44-K46 VanDerWaalsContact O-N 3.15Å; K46-A48 PolarHBondContact O-N 3.45Å; K46-E49 WeakPolarHBondContact CD-OE2 3.36Å; K46-E49 IonicContact NZ-OE1 2.82Å; K46-E49 PolarHBondContact NZ-OE1 2.95Å; K46-E49 IonicContact NZ-OE2 3.25Å; K46-E49 PolarHBondContact NZ-OE2 3.25Å; K46-E49 WeakPolarHBondContact O-CB 3.49Å; K46-E49 PolarHBondContact O-N 3.37Å; K46-F50 HydrophobicContact CB-CD2 4.43Å; K46-F50 HydrophobicContact CB-CE2 3.86Å; K46-F50 HydrophobicContact CB-CZ 4Å; K46-F50 HydrophobicContact CD-CE1 4.34Å; K46-F50 HydrophobicContact CD-CZ 4.11Å; K46-F50 HydrophobicContact CG-CZ 4.49Å; K46-F50 WeakPolarHBondContact O-CB 3.2Å; K46-F50 WeakPolarHBondContact O-CD2 3.49Å; K46-F50 WeakPolarHBondContact O-CG 3.48Å; K46-F50 PolarHBondContact O-N 3.07Å; K46-V70 HydrophobicContact CB-CG1 4.36Å; K46-V70 HydrophobicContact CB-CG2 3.94Å; K46-V70 HydrophobicContact CG-CG2 3.87Å |
| 47 | T | 98.2 | Very high | 97.4 | Very high | 5 Ų | 5 | 71.5 Ų | 71.5 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | 176.6 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | K44 G45 R51 Y117 L121 L150 L152 | K44-T47 PolarHBondContact O-N 2.85Å; K44-T47 VanDerWaalsContact O-N 3.14Å; G45-T47 PolarHBondContact O-N 3.34Å; T47-R51 WeakPolarHBondContact O-CG 3.41Å; T47-R51 PolarHBondContact O-N 2.89Å; T47-R51 VanDerWaalsContact O-N 3.07Å; T47-Y117 WeakPolarHBondContact OG1-CE2 3.5Å; T47-Y117 PolarHBondContact OG1-OH 2.66Å; T47-L121 HydrophobicContact CG2-CD2 3.96Å; T47-L150 VanDerWaalsContact CB-O 3.31Å; T47-L150 WeakPolarHBondContact CB-O 3.33Å; T47-L150 PolarHBondContact OG1-O 2.95Å; T47-L152 HydrophobicContact CG2-CD2 3.83Å; T47-L152 HydrophobicContact CG2-CG 4.48Å |
| 48 | A | 97.5 | Very high | 97.4 | Very high | 65 Ų | 65 | 66.4 Ų | 66.4 | 54% | 0.537 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.6 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G45 K46 R51 A52 | G45-A48 PolarHBondContact O-N 3.2Å; K46-A48 PolarHBondContact O-N 3.45Å; A48-R51 PolarHBondContact O-N 3.27Å; A48-A52 WeakPolarHBondContact O-CB 3.44Å; A48-A52 PolarHBondContact O-N 2.73Å |
| 49 | E | 98 | Very high | 97.3 | Very high | 77 Ų | 77 | 68.2 Ų | 68.2 | 36% | 0.36 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.7 | -48.2 | 174.4 | -174.7 | -169.3 | 135.4 | 0 | 0 | 111.7 | G45 K46 A52 R53 | G45-E49 PolarHBondContact O-N 3.14Å; G45-E49 VanDerWaalsContact O-N 3.13Å; K46-E49 WeakPolarHBondContact CD-OE2 3.36Å; K46-E49 IonicContact NZ-OE1 2.82Å; K46-E49 PolarHBondContact NZ-OE1 2.95Å; K46-E49 IonicContact NZ-OE2 3.25Å; K46-E49 PolarHBondContact NZ-OE2 3.25Å; K46-E49 WeakPolarHBondContact O-CB 3.49Å; K46-E49 PolarHBondContact O-N 3.37Å; E49-A52 PolarHBondContact O-N 2.57Å; E49-R53 WeakPolarHBondContact O-CG 2.88Å; E49-R53 PolarHBondContact O-N 2.91Å; E49-R53 IonicContact OE1-NH1 3.43Å |
| 50 | F | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 179.9 | -61.5 | -30.5 | 0 | 0 | 0 | 112.4 | K46 R53 L54 L63 E66 A67 V70 Y117 L121 | K46-F50 HydrophobicContact CB-CD2 4.43Å; K46-F50 HydrophobicContact CB-CE2 3.86Å; K46-F50 HydrophobicContact CB-CZ 4Å; K46-F50 HydrophobicContact CD-CE1 4.34Å; K46-F50 HydrophobicContact CD-CZ 4.11Å; K46-F50 HydrophobicContact CG-CZ 4.49Å; K46-F50 WeakPolarHBondContact O-CB 3.2Å; K46-F50 WeakPolarHBondContact O-CD2 3.49Å; K46-F50 WeakPolarHBondContact O-CG 3.48Å; K46-F50 PolarHBondContact O-N 3.07Å; F50-R53 WeakPolarHBondContact O-CB 3.23Å; F50-R53 PolarHBondContact O-N 3.26Å; F50-L54 WeakPolarHBondContact O-CG 3.47Å; F50-L54 PolarHBondContact O-N 3.26Å; F50-L63 HydrophobicContact CB-CD1 4.18Å; F50-L63 HydrophobicContact CD1-CD2 4.15Å; F50-E66 HydrophobicContact CE1-CB 3.85Å; F50-E66 HydrophobicContact CZ-CB 3.78Å; F50-A67 HydrophobicContact CE2-CB 4.35Å; F50-V70 HydrophobicContact CE2-CB 4.43Å; F50-V70 HydrophobicContact CE2-CG2 3.99Å; F50-V70 HydrophobicContact CZ-CG2 3.95Å; F50-Y117 HydrophobicContact CD2-CE1 4.24Å; F50-Y117 WeakPolarHBondContact CD2-OH 3.43Å; F50-Y117 HydrophobicContact CE2-CE1 4.27Å; F50-L121 HydrophobicContact CB-CD1 3.85Å; F50-L121 HydrophobicContact CB-CD2 4.11Å; F50-L121 HydrophobicContact CD2-CD1 4Å; F50-L121 HydrophobicContact CD2-CD2 4.4Å; F50-L121 HydrophobicContact CG-CD1 4.28Å |
| 51 | R | 98.3 | Very high | 97.2 | Very high | 69 Ų | 69 | 66.9 Ų | 66.9 | 26% | 0.26 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 173.4 | -77.2 | 179.9 | 171.9 | 179.2 | -2.3 | 111.7 | T47 A48 R53 L54 E55 A120 L121 D173 | T47-R51 WeakPolarHBondContact O-CG 3.41Å; T47-R51 PolarHBondContact O-N 2.89Å; T47-R51 VanDerWaalsContact O-N 3.07Å; A48-R51 PolarHBondContact O-N 3.27Å; R51-R53 VanDerWaalsContact C-N 3.25Å; R51-R53 PolarHBondContact O-N 2.8Å; R51-L54 PolarHBondContact O-N 3.43Å; R51-L54 VanDerWaalsContact O-N 3.15Å; R51-E55 WeakPolarHBondContact O-CG 2.91Å; R51-E55 PolarHBondContact O-N 3.35Å; R51-A120 PolarHBondContact NH2-O 2.85Å; R51-L121 HydrophobicContact CG-CD2 4.5Å; R51-L121 WeakPolarHBondContact CG-O 3.36Å; R51-D173 IonicContact CZ-OD1 2.77Å; R51-D173 IonicContact NH2-OD1 3.48Å; R51-D173 PolarHBondContact NH2-OD1 3.08Å |
| 52 | A | 97.8 | Very high | 97.2 | Very high | 36 Ų | 36 | 65.1 Ų | 65.1 | 30% | 0.298 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.5 | -29.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A48 E49 K56 | A48-A52 WeakPolarHBondContact O-CB 3.44Å; A48-A52 PolarHBondContact O-N 2.73Å; E49-A52 PolarHBondContact O-N 2.57Å; A52-K56 WeakPolarHBondContact O-CD 3.47Å; A52-K56 VanDerWaalsContact O-CG 3.26Å; A52-K56 WeakPolarHBondContact O-CG 3.46Å; A52-K56 PolarHBondContact O-N 2.88Å |
| 53 | R | 98.3 | Very high | 97.3 | Very high | 50 Ų | 50 | 60 Ų | 60 | 19% | 0.189 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.1 | -42 | 173.4 | -76.2 | 168.8 | 65.6 | 178 | -3.7 | 112.1 | E49 F50 R51 K56 G57 E58 L63 E66 | E49-R53 WeakPolarHBondContact O-CG 2.88Å; E49-R53 PolarHBondContact O-N 2.91Å; E49-R53 IonicContact OE1-NH1 3.43Å; F50-R53 WeakPolarHBondContact O-CB 3.23Å; F50-R53 PolarHBondContact O-N 3.26Å; R51-R53 VanDerWaalsContact C-N 3.25Å; R51-R53 PolarHBondContact O-N 2.8Å; R53-K56 PolarHBondContact O-N 3.38Å; R53-G57 PolarHBondContact O-N 3.16Å; R53-E58 HydrophobicContact CB-CB 4.38Å; R53-E58 WeakPolarHBondContact CB-OE2 3.41Å; R53-E58 IonicContact CZ-OE1 3.01Å; R53-E58 IonicContact CZ-OE2 3.64Å; R53-E58 IonicContact NE-OE1 3.75Å; R53-E58 IonicContact NE-OE2 2.8Å; R53-E58 PolarHBondContact NE-OE2 3.34Å; R53-E58 IonicContact NH2-OE1 3.64Å; R53-E58 PolarHBondContact NH2-OE1 3.25Å; R53-E58 IonicContact NH2-OE2 3.14Å; R53-E58 PolarHBondContact NH2-OE2 3.32Å; R53-E58 WeakPolarHBondContact O-CB 3.36Å; R53-E58 PolarHBondContact O-N 2.91Å; R53-E58 VanDerWaalsContact O-N 3.13Å; R53-L63 VanDerWaalsContact NH2-CD2 3.29Å; R53-E66 IonicContact CZ-OE1 2.68Å; R53-E66 IonicContact CZ-OE2 3.13Å; R53-E66 VanDerWaalsContact CZ-OE2 3.29Å; R53-E66 IonicContact NH1-OE1 3.3Å; R53-E66 PolarHBondContact NH1-OE1 3.38Å; R53-E66 IonicContact NH1-OE2 2.78Å; R53-E66 PolarHBondContact NH1-OE2 3.02Å; R53-E66 IonicContact NH2-OE2 3.6Å; R53-E66 PolarHBondContact NH2-OE2 2.94Å |
| 54 | L | 97.3 | Very high | 97.3 | Very high | 33 Ų | 33 | 60.9 Ų | 60.9 | 17% | 0.173 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 174.3 | -67.7 | 176.2 | 0 | 0 | 0 | 111.8 | F50 R51 K56 G57 E58 L60 L63 L121 | F50-L54 WeakPolarHBondContact O-CG 3.47Å; F50-L54 PolarHBondContact O-N 3.26Å; R51-L54 PolarHBondContact O-N 3.43Å; R51-L54 VanDerWaalsContact O-N 3.15Å; L54-K56 PolarHBondContact O-N 3.4Å; L54-G57 PolarHBondContact O-N 3.44Å; L54-E58 VanDerWaalsContact CD2-O 3.3Å; L54-E58 WeakPolarHBondContact CD2-O 3.34Å; L54-L60 HydrophobicContact CD1-CD1 3.89Å; L54-L60 HydrophobicContact CD2-CB 4.32Å; L54-L60 HydrophobicContact CD2-CD1 4.04Å; L54-L63 HydrophobicContact CD1-CD1 4.2Å; L54-L63 HydrophobicContact CD2-CD1 3.65Å; L54-L63 HydrophobicContact CG-CD1 3.77Å; L54-L121 HydrophobicContact CD1-CB 3.75Å |
| 55 | E | 96.1 | Very high | 97.4 | Very high | 165 Ų | 165 | 57.6 Ų | 57.6 | 77% | 0.771 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.3 | -31.7 | 174.4 | -72.8 | 171.6 | -172.9 | 0 | 0 | 112.6 | R51 G57 | R51-E55 WeakPolarHBondContact O-CG 2.91Å; R51-E55 PolarHBondContact O-N 3.35Å; E55-G57 PolarHBondContact O-N 3.45Å |
| 56 | K | 96.9 | Very high | 97.4 | Very high | 180 Ų | 180 | 57.9 Ų | 57.9 | 78% | 0.783 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 1.9 | 174 | -70.3 | 169.7 | -173.6 | 174.5 | 0 | 113.9 | A52 R53 L54 | A52-K56 WeakPolarHBondContact O-CD 3.47Å; A52-K56 VanDerWaalsContact O-CG 3.26Å; A52-K56 WeakPolarHBondContact O-CG 3.46Å; A52-K56 PolarHBondContact O-N 2.88Å; R53-K56 PolarHBondContact O-N 3.38Å; L54-K56 PolarHBondContact O-N 3.4Å |
| 57 | G | 95.8 | Very high | 97.4 | Very high | 62 Ų | 62 | 56 Ų | 56 | 64% | 0.639 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.9 | 15.2 | 176 | 0 | 0 | 0 | 0 | 0 | 115.3 | R53 L54 E55 | R53-G57 PolarHBondContact O-N 3.16Å; L54-G57 PolarHBondContact O-N 3.44Å; E55-G57 PolarHBondContact O-N 3.45Å |
| 58 | E | 96.6 | Very high | 97.5 | Very high | 58 Ų | 58 | 55.8 Ų | 55.8 | 27% | 0.271 | 30% | 0.299 | S | S | . | . | trans | -66.7 | 140.6 | 170.8 | -170.3 | 164.5 | 177.4 | 0 | 0 | 111.2 | R53 L54 N62 | R53-E58 HydrophobicContact CB-CB 4.38Å; R53-E58 WeakPolarHBondContact CB-OE2 3.41Å; R53-E58 IonicContact CZ-OE1 3.01Å; R53-E58 IonicContact CZ-OE2 3.64Å; R53-E58 IonicContact NE-OE1 3.75Å; R53-E58 IonicContact NE-OE2 2.8Å; R53-E58 PolarHBondContact NE-OE2 3.34Å; R53-E58 IonicContact NH2-OE1 3.64Å; R53-E58 PolarHBondContact NH2-OE1 3.25Å; R53-E58 IonicContact NH2-OE2 3.14Å; R53-E58 PolarHBondContact NH2-OE2 3.32Å; R53-E58 WeakPolarHBondContact O-CB 3.36Å; R53-E58 PolarHBondContact O-N 2.91Å; R53-E58 VanDerWaalsContact O-N 3.13Å; L54-E58 VanDerWaalsContact CD2-O 3.3Å; L54-E58 WeakPolarHBondContact CD2-O 3.34Å; E58-N62 HydrophobicContact CG-CB 4.31Å | ||
| 59 | V | 96.2 | Very high | 97.5 | Very high | 78 Ų | 78 | 52.9 Ų | 52.9 | 47% | 0.473 | 28% | 0.275 | S | S | . | . | trans | -76.7 | 131.8 | 178.4 | 177.4 | 0 | 0 | 0 | 0 | 109.6 | E61 N62 | V59-E61 HydrophobicContact CG1-CB 4.3Å; V59-E61 WeakPolarHBondContact CG1-OE2 3.45Å; V59-E61 PolarHBondContact O-N 3.07Å; V59-E61 VanDerWaalsContact O-N 3.15Å; V59-N62 WeakPolarHBondContact O-CB 3.48Å; V59-N62 PolarHBondContact O-N 3.1Å | ||
| 60 | L | 96.2 | Very high | 97.5 | Very high | 21 Ų | 21 | 49.2 Ų | 49.2 | 11% | 0.11 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -52.8 | -40.1 | -175.4 | -174.4 | 66.7 | 0 | 0 | 0 | 113.2 | L54 N62 L63 L118 T122 | L54-L60 HydrophobicContact CD1-CD1 3.89Å; L54-L60 HydrophobicContact CD2-CB 4.32Å; L54-L60 HydrophobicContact CD2-CD1 4.04Å; L60-N62 PolarHBondContact O-N 3.41Å; L60-L63 WeakPolarHBondContact O-CB 3.22Å; L60-L63 PolarHBondContact O-N 3.37Å; L60-L63 VanDerWaalsContact O-N 3.09Å; L60-L118 HydrophobicContact CD1-CD1 3.86Å; L60-L118 HydrophobicContact CD1-CG 4.17Å; L60-L118 WeakPolarHBondContact CD1-O 3.45Å; L60-L118 HydrophobicContact CG-CD1 4.16Å; L60-L118 HydrophobicContact CG-CG 4.18Å; L60-T122 HydrophobicContact CD1-CG2 4.12Å; L60-T122 HydrophobicContact CD2-CG2 3.92Å |
| 61 | E | 96.2 | Very high | 97.5 | Very high | 92 Ų | 92 | 49.2 Ų | 49.2 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -61.6 | -26.9 | 179.7 | -71.2 | 68.7 | -155 | 0 | 0 | 113.4 | V59 L63 I64 | V59-E61 HydrophobicContact CG1-CB 4.3Å; V59-E61 WeakPolarHBondContact CG1-OE2 3.45Å; V59-E61 PolarHBondContact O-N 3.07Å; V59-E61 VanDerWaalsContact O-N 3.15Å; E61-L63 PolarHBondContact O-N 2.75Å; E61-I64 HydrophobicContact CB-CD1 4.24Å; E61-I64 WeakPolarHBondContact O-CB 3.27Å; E61-I64 VanDerWaalsContact O-CD1 3.3Å; E61-I64 WeakPolarHBondContact O-CD1 3.34Å; E61-I64 VanDerWaalsContact O-CG1 3.25Å; E61-I64 WeakPolarHBondContact O-CG1 3.23Å; E61-I64 PolarHBondContact O-N 2.94Å |
| 62 | N | 97.2 | Very high | 97.5 | Very high | 102 Ų | 102 | 46.1 Ų | 46.1 | 55% | 0.545 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -71 | -23.2 | 178 | -67.6 | -17.1 | 0 | 0 | 0 | 112.2 | E58 V59 L60 I64 P65 | E58-N62 HydrophobicContact CG-CB 4.31Å; V59-N62 WeakPolarHBondContact O-CB 3.48Å; V59-N62 PolarHBondContact O-N 3.1Å; L60-N62 PolarHBondContact O-N 3.41Å; N62-I64 VanDerWaalsContact C-N 3.32Å; N62-P65 WeakPolarHBondContact O-CD 3.35Å |
| 63 | L | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -80.4 | -10.5 | 178.5 | -61.7 | 178 | 0 | 0 | 0 | 113.4 | F50 R53 L54 L60 E61 P65 E66 A67 L118 L121 | F50-L63 HydrophobicContact CB-CD1 4.18Å; F50-L63 HydrophobicContact CD1-CD2 4.15Å; R53-L63 VanDerWaalsContact NH2-CD2 3.29Å; L54-L63 HydrophobicContact CD1-CD1 4.2Å; L54-L63 HydrophobicContact CD2-CD1 3.65Å; L54-L63 HydrophobicContact CG-CD1 3.77Å; L60-L63 WeakPolarHBondContact O-CB 3.22Å; L60-L63 PolarHBondContact O-N 3.37Å; L60-L63 VanDerWaalsContact O-N 3.09Å; E61-L63 PolarHBondContact O-N 2.75Å; L63-P65 VanDerWaalsContact C-CD 3.45Å; L63-E66 PolarHBondContact O-N 3.27Å; L63-A67 VanDerWaalsContact O-CB 3.24Å; L63-A67 WeakPolarHBondContact O-CB 3.32Å; L63-A67 PolarHBondContact O-N 2.99Å; L63-L118 HydrophobicContact CB-CD1 4.08Å; L63-L121 HydrophobicContact CD1-CD1 4.41Å |
| 64 | I | 98.3 | Very high | 97.5 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 10% | 0.097 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -48.2 | -50 | -176.4 | -69.9 | 167.3 | 0 | 0 | 0 | 112.7 | V24 E61 N62 E66 F68 M92 L118 | V24-I64 HydrophobicContact CG1-CG2 4.1Å; E61-I64 HydrophobicContact CB-CD1 4.24Å; E61-I64 WeakPolarHBondContact O-CB 3.27Å; E61-I64 VanDerWaalsContact O-CD1 3.3Å; E61-I64 WeakPolarHBondContact O-CD1 3.34Å; E61-I64 VanDerWaalsContact O-CG1 3.25Å; E61-I64 WeakPolarHBondContact O-CG1 3.23Å; E61-I64 PolarHBondContact O-N 2.94Å; N62-I64 VanDerWaalsContact C-N 3.32Å; I64-E66 PolarHBondContact O-N 2.99Å; I64-F68 HydrophobicContact CG2-CD1 4.44Å; I64-F68 HydrophobicContact CG2-CD2 4.21Å; I64-F68 HydrophobicContact CG2-CE1 4.45Å; I64-F68 HydrophobicContact CG2-CE2 4.24Å; I64-F68 HydrophobicContact CG2-CG 4.33Å; I64-F68 HydrophobicContact CG2-CZ 4.35Å; I64-F68 VanDerWaalsContact O-CB 3.23Å; I64-F68 WeakPolarHBondContact O-CB 3.45Å; I64-F68 WeakPolarHBondContact O-CD1 3.46Å; I64-F68 WeakPolarHBondContact O-CG 3.25Å; I64-F68 PolarHBondContact O-N 3.33Å; I64-M92 HydrophobicContact CG2-CG 3.87Å; I64-M92 HydrophobicContact CG2-SD 4.21Å; I64-L118 HydrophobicContact CG1-CD2 3.56Å |
| 65 | P | 98.2 | Very high | 97.6 | Very high | 22 Ų | 22 | 41 Ų | 41 | 14% | 0.143 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.1 | -47 | -176.4 | -17.9 | 29.9 | 0 | 0 | 0 | 112.5 | V24 I27 I28 M31 N62 L63 A69 | V24-P65 HydrophobicContact CG1-CG 4.05Å; I27-P65 HydrophobicContact CG2-CB 3.9Å; I27-P65 HydrophobicContact CG2-CG 4.49Å; I28-P65 HydrophobicContact CG1-CB 4.16Å; M31-P65 HydrophobicContact CE-CB 4.09Å; M31-P65 HydrophobicContact SD-CB 4.06Å; N62-P65 WeakPolarHBondContact O-CD 3.35Å; L63-P65 VanDerWaalsContact C-CD 3.45Å; P65-A69 WeakPolarHBondContact O-CB 3.23Å; P65-A69 PolarHBondContact O-N 3.06Å; P65-A69 VanDerWaalsContact O-N 3.1Å |
| 66 | E | 98.2 | Very high | 97.6 | Very high | 42 Ų | 42 | 35.5 Ų | 35.5 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.5 | -46.6 | -176.5 | -63.9 | 174.8 | 82.5 | 0 | 0 | 111.2 | M31 F50 R53 L63 I64 F68 A69 V70 | M31-E66 HydrophobicContact CE-CG 3.81Å; M31-E66 HydrophobicContact SD-CG 4.15Å; F50-E66 HydrophobicContact CE1-CB 3.85Å; F50-E66 HydrophobicContact CZ-CB 3.78Å; R53-E66 IonicContact CZ-OE1 2.68Å; R53-E66 IonicContact CZ-OE2 3.13Å; R53-E66 VanDerWaalsContact CZ-OE2 3.29Å; R53-E66 IonicContact NH1-OE1 3.3Å; R53-E66 PolarHBondContact NH1-OE1 3.38Å; R53-E66 IonicContact NH1-OE2 2.78Å; R53-E66 PolarHBondContact NH1-OE2 3.02Å; R53-E66 IonicContact NH2-OE2 3.6Å; R53-E66 PolarHBondContact NH2-OE2 2.94Å; L63-E66 PolarHBondContact O-N 3.27Å; I64-E66 PolarHBondContact O-N 2.99Å; E66-F68 PolarHBondContact O-N 3.15Å; E66-A69 PolarHBondContact O-N 3.36Å; E66-V70 WeakPolarHBondContact O-CG2 3.33Å; E66-V70 PolarHBondContact O-N 2.98Å |
| 67 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | F50 L63 V70 V71 Y117 L118 L121 | F50-A67 HydrophobicContact CE2-CB 4.35Å; L63-A67 VanDerWaalsContact O-CB 3.24Å; L63-A67 WeakPolarHBondContact O-CB 3.32Å; L63-A67 PolarHBondContact O-N 2.99Å; A67-V70 PolarHBondContact O-N 2.97Å; A67-V71 WeakPolarHBondContact O-CG2 3.36Å; A67-V71 PolarHBondContact O-N 2.7Å; A67-Y117 HydrophobicContact CB-CD1 4.09Å; A67-Y117 HydrophobicContact CB-CE1 3.9Å; A67-L118 HydrophobicContact CB-CD1 3.93Å; A67-L121 HydrophobicContact CB-CD1 4.48Å |
| 68 | F | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.5 | -33 | 179.5 | -77.7 | 23.9 | 0 | 0 | 0 | 111.9 | I28 I64 E66 R72 L88 M92 L114 L118 | I28-F68 HydrophobicContact CD1-CB 3.83Å; I28-F68 HydrophobicContact CD1-CD2 4.08Å; I28-F68 HydrophobicContact CD1-CG 4.37Å; I28-F68 HydrophobicContact CG1-CB 4.35Å; I28-F68 HydrophobicContact CG2-CB 4.45Å; I64-F68 HydrophobicContact CG2-CD1 4.44Å; I64-F68 HydrophobicContact CG2-CD2 4.21Å; I64-F68 HydrophobicContact CG2-CE1 4.45Å; I64-F68 HydrophobicContact CG2-CE2 4.24Å; I64-F68 HydrophobicContact CG2-CG 4.33Å; I64-F68 HydrophobicContact CG2-CZ 4.35Å; I64-F68 VanDerWaalsContact O-CB 3.23Å; I64-F68 WeakPolarHBondContact O-CB 3.45Å; I64-F68 WeakPolarHBondContact O-CD1 3.46Å; I64-F68 WeakPolarHBondContact O-CG 3.25Å; I64-F68 PolarHBondContact O-N 3.33Å; E66-F68 PolarHBondContact O-N 3.15Å; F68-R72 VanDerWaalsContact O-CB 3.3Å; F68-R72 WeakPolarHBondContact O-CB 3.47Å; F68-R72 PolarHBondContact O-N 3.37Å; F68-L88 HydrophobicContact CB-CD2 4.19Å; F68-L88 HydrophobicContact CD2-CD2 4.06Å; F68-M92 HydrophobicContact CD2-CG 4.43Å; F68-M92 HydrophobicContact CE2-CG 3.77Å; F68-M92 HydrophobicContact CZ-CG 4.44Å; F68-L114 HydrophobicContact CB-CD2 4.06Å; F68-L114 HydrophobicContact CD1-CB 4.08Å; F68-L114 HydrophobicContact CD1-CD2 4.32Å; F68-L114 HydrophobicContact CD2-CB 4.2Å; F68-L114 HydrophobicContact CD2-CD1 4.31Å; F68-L114 HydrophobicContact CD2-CD2 4.21Å; F68-L114 HydrophobicContact CD2-CG 4.5Å; F68-L114 HydrophobicContact CE1-CB 3.84Å; F68-L114 WeakPolarHBondContact CE1-O 3.14Å; F68-L114 HydrophobicContact CE2-CB 3.96Å; F68-L114 HydrophobicContact CE2-CD1 4.36Å; F68-L114 HydrophobicContact CG-CB 4.26Å; F68-L114 HydrophobicContact CG-CD2 3.96Å; F68-L114 HydrophobicContact CZ-CB 3.78Å; F68-L118 HydrophobicContact CE1-CB 4.19Å; F68-L118 HydrophobicContact CE1-CD2 4.01Å |
| 69 | A | 98.5 | Very high | 97.6 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.3 | -43.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I28 M31 M35 P65 E66 R72 E73 | I28-A69 HydrophobicContact CG2-CB 4.06Å; M31-A69 HydrophobicContact CB-CB 4Å; M31-A69 HydrophobicContact SD-CB 4.38Å; M35-A69 HydrophobicContact CE-CB 4.04Å; M35-A69 HydrophobicContact CG-CB 3.96Å; P65-A69 WeakPolarHBondContact O-CB 3.23Å; P65-A69 PolarHBondContact O-N 3.06Å; P65-A69 VanDerWaalsContact O-N 3.1Å; E66-A69 PolarHBondContact O-N 3.36Å; A69-R72 PolarHBondContact O-N 2.77Å; A69-E73 PolarHBondContact O-N 3.4Å |
| 70 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.8 | -49.9 | 176 | 166.4 | 0 | 0 | 0 | 0 | 111.5 | M35 L43 K46 F50 E66 A67 R72 E73 A74 L150 | M35-V70 HydrophobicContact CE-CG2 4.04Å; M35-V70 HydrophobicContact SD-CG2 3.78Å; L43-V70 HydrophobicContact CD1-CB 4.2Å; L43-V70 HydrophobicContact CD1-CG1 3.87Å; L43-V70 HydrophobicContact CD1-CG2 4.02Å; L43-V70 HydrophobicContact CG-CG1 4.37Å; K46-V70 HydrophobicContact CB-CG1 4.36Å; K46-V70 HydrophobicContact CB-CG2 3.94Å; K46-V70 HydrophobicContact CG-CG2 3.87Å; F50-V70 HydrophobicContact CE2-CB 4.43Å; F50-V70 HydrophobicContact CE2-CG2 3.99Å; F50-V70 HydrophobicContact CZ-CG2 3.95Å; E66-V70 WeakPolarHBondContact O-CG2 3.33Å; E66-V70 PolarHBondContact O-N 2.98Å; A67-V70 PolarHBondContact O-N 2.97Å; V70-R72 VanDerWaalsContact C-N 3.33Å; V70-R72 PolarHBondContact O-N 3.2Å; V70-E73 PolarHBondContact O-N 2.7Å; V70-A74 WeakPolarHBondContact O-CB 3.35Å; V70-A74 PolarHBondContact O-N 2.66Å; V70-L150 HydrophobicContact CG1-CD2 3.51Å |
| 71 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 179.1 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | A67 A74 S75 L114 Y117 L146 L150 | A67-V71 WeakPolarHBondContact O-CG2 3.36Å; A67-V71 PolarHBondContact O-N 2.7Å; V71-A74 PolarHBondContact O-N 3.33Å; V71-S75 WeakPolarHBondContact O-CB 3.46Å; V71-S75 PolarHBondContact O-N 3.15Å; V71-L114 HydrophobicContact CB-CD2 3.91Å; V71-L114 HydrophobicContact CG1-CD2 3.73Å; V71-L114 HydrophobicContact CG1-CG 4.39Å; V71-Y117 HydrophobicContact CG2-CD1 3.32Å; V71-Y117 HydrophobicContact CG2-CD2 4.07Å; V71-Y117 HydrophobicContact CG2-CE1 4.03Å; V71-Y117 HydrophobicContact CG2-CG 3.34Å; V71-L146 HydrophobicContact CG1-CD2 4.36Å; V71-L150 HydrophobicContact CG2-CD1 3.96Å |
| 72 | R | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.9 | -46.2 | 176.6 | 173.8 | -174.3 | -86 | 174 | -16.7 | 111.7 | N29 F68 A69 V70 S75 K76 R82 H83 D85 | N29-R72 PolarHBondContact OD1-NH1 3.03Å; N29-R72 PolarHBondContact OD1-NH2 3.39Å; F68-R72 VanDerWaalsContact O-CB 3.3Å; F68-R72 WeakPolarHBondContact O-CB 3.47Å; F68-R72 PolarHBondContact O-N 3.37Å; A69-R72 PolarHBondContact O-N 2.77Å; V70-R72 VanDerWaalsContact C-N 3.33Å; V70-R72 PolarHBondContact O-N 3.2Å; R72-S75 PolarHBondContact O-N 3.35Å; R72-K76 PolarHBondContact O-N 3Å; R72-R82 HydrophobicContact CG-CG 4.13Å; R72-H83 HydrophobicContact CG-CB 4.36Å; R72-H83 PolarHBondContact NE-O 2.97Å; R72-H83 PolarHBondContact NH2-O 2.81Å; R72-D85 IonicContact NH2-OD1 2.72Å; R72-D85 PolarHBondContact NH2-OD1 3.32Å |
| 73 | E | 98.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 28.4 Ų | 28.4 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.6 | -42.2 | 179.5 | -179 | 56.1 | -156.7 | 0 | 0 | 111.3 | M35 L43 A69 V70 S75 K76 R77 | M35-E73 HydrophobicContact CB-CB 3.95Å; M35-E73 HydrophobicContact CB-CG 4.03Å; L43-E73 HydrophobicContact CD2-CB 4.2Å; L43-E73 HydrophobicContact CD2-CG 3.8Å; A69-E73 PolarHBondContact O-N 3.4Å; V70-E73 PolarHBondContact O-N 2.7Å; E73-S75 VanDerWaalsContact C-N 3.32Å; E73-S75 PolarHBondContact O-N 3.49Å; E73-K76 WeakPolarHBondContact O-CB 3.43Å; E73-K76 PolarHBondContact O-N 2.99Å; E73-K76 VanDerWaalsContact O-N 3.16Å; E73-K76 WeakPolarHBondContact OE2-CE 3.33Å; E73-K76 IonicContact OE2-NZ 3.49Å; E73-K76 PolarHBondContact OE2-NZ 2.99Å; E73-R77 WeakPolarHBondContact O-CG 3.47Å; E73-R77 PolarHBondContact O-N 3.41Å; E73-R77 VanDerWaalsContact O-N 3.12Å; E73-R77 IonicContact OE1-CZ 2.73Å; E73-R77 IonicContact OE1-NE 3.81Å; E73-R77 PolarHBondContact OE1-NE 2.94Å; E73-R77 IonicContact OE1-NH2 3.3Å; E73-R77 PolarHBondContact OE1-NH2 2.96Å; E73-R77 VanDerWaalsContact OE1-NH2 3.08Å |
| 74 | A | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | L43 V70 V71 K76 R77 V78 L146 F149 L150 | L43-A74 HydrophobicContact CD2-CB 4.3Å; V70-A74 WeakPolarHBondContact O-CB 3.35Å; V70-A74 PolarHBondContact O-N 2.66Å; V71-A74 PolarHBondContact O-N 3.33Å; A74-K76 VanDerWaalsContact C-N 3.34Å; A74-K76 PolarHBondContact O-N 3.33Å; A74-R77 PolarHBondContact O-N 3.02Å; A74-R77 VanDerWaalsContact O-N 3.16Å; A74-V78 WeakPolarHBondContact O-CB 3.31Å; A74-V78 VanDerWaalsContact O-CG2 3.31Å; A74-V78 WeakPolarHBondContact O-CG2 3.34Å; A74-V78 PolarHBondContact O-N 3.24Å; A74-L146 HydrophobicContact CB-CD1 3.55Å; A74-F149 HydrophobicContact CB-CD1 3.73Å; A74-F149 HydrophobicContact CB-CE1 3.78Å; A74-L150 HydrophobicContact CB-CD1 4.03Å; A74-L150 HydrophobicContact CB-CD2 3.72Å; A74-L150 HydrophobicContact CB-CG 3.89Å |
| 75 | S | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63 | -37.3 | 175.1 | 177.4 | 0 | 0 | 0 | 0 | 112.8 | V71 R72 E73 R77 F79 G80 M81 L110 | V71-S75 WeakPolarHBondContact O-CB 3.46Å; V71-S75 PolarHBondContact O-N 3.15Å; R72-S75 PolarHBondContact O-N 3.35Å; E73-S75 VanDerWaalsContact C-N 3.32Å; E73-S75 PolarHBondContact O-N 3.49Å; S75-R77 VanDerWaalsContact C-N 3.32Å; S75-R77 PolarHBondContact O-N 3.19Å; S75-F79 WeakPolarHBondContact O-CA 3.15Å; S75-F79 WeakPolarHBondContact O-CB 2.91Å; S75-F79 PolarHBondContact O-N 3.35Å; S75-G80 PolarHBondContact O-N 2.97Å; S75-M81 CarbonylContact C-O 3.45Å; S75-M81 WeakPolarHBondContact CB-O 3.42Å; S75-M81 PolarHBondContact O-N 3.19Å; S75-M81 PolarHBondContact OG-O 2.99Å; S75-L110 WeakPolarHBondContact OG-CD1 3.28Å |
| 76 | K | 97.4 | Very high | 97.3 | Very high | 48 Ų | 48 | 33.5 Ų | 33.5 | 21% | 0.209 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 173 | -76 | 165.8 | 60.8 | -167.2 | 0 | 111.2 | E32 E36 R72 E73 A74 G80 M81 R82 | E32-K76 IonicContact OE1-NZ 3.47Å; E32-K76 PolarHBondContact OE1-NZ 2.95Å; E36-K76 IonicContact OE1-NZ 3.49Å; E36-K76 PolarHBondContact OE1-NZ 3.35Å; R72-K76 PolarHBondContact O-N 3Å; E73-K76 WeakPolarHBondContact O-CB 3.43Å; E73-K76 PolarHBondContact O-N 2.99Å; E73-K76 VanDerWaalsContact O-N 3.16Å; E73-K76 WeakPolarHBondContact OE2-CE 3.33Å; E73-K76 IonicContact OE2-NZ 3.49Å; E73-K76 PolarHBondContact OE2-NZ 2.99Å; A74-K76 VanDerWaalsContact C-N 3.34Å; A74-K76 PolarHBondContact O-N 3.33Å; K76-G80 WeakPolarHBondContact O-CA 3.33Å; K76-G80 PolarHBondContact O-N 3.46Å; K76-M81 PolarHBondContact N-O 3.13Å; K76-R82 HydrophobicContact CD-CB 4.07Å; K76-R82 HydrophobicContact CD-CG 4.03Å; K76-R82 HydrophobicContact CG-CB 3.75Å; K76-R82 HydrophobicContact CG-CG 4.23Å |
| 77 | R | 97.2 | Very high | 97.3 | Very high | 77 Ų | 77 | 31.8 Ų | 31.8 | 29% | 0.291 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -73.6 | -45 | -178.4 | -64.2 | -178.1 | -168.3 | -164.7 | 3.7 | 112.9 | M35 L38 D40 E73 A74 S75 | M35-R77 PolarHBondContact O-NH2 3.22Å; L38-R77 VanDerWaalsContact O-CZ 3.27Å; L38-R77 PolarHBondContact O-NH1 3.35Å; L38-R77 PolarHBondContact O-NH2 3.18Å; D40-R77 WeakPolarHBondContact OD1-CD 3.46Å; D40-R77 IonicContact OD1-CZ 3.04Å; D40-R77 IonicContact OD1-NE 3.51Å; D40-R77 IonicContact OD1-NH1 2.73Å; D40-R77 PolarHBondContact OD1-NH1 3.24Å; E73-R77 WeakPolarHBondContact O-CG 3.47Å; E73-R77 PolarHBondContact O-N 3.41Å; E73-R77 VanDerWaalsContact O-N 3.12Å; E73-R77 IonicContact OE1-CZ 2.73Å; E73-R77 IonicContact OE1-NE 3.81Å; E73-R77 PolarHBondContact OE1-NE 2.94Å; E73-R77 IonicContact OE1-NH2 3.3Å; E73-R77 PolarHBondContact OE1-NH2 2.96Å; E73-R77 VanDerWaalsContact OE1-NH2 3.08Å; A74-R77 PolarHBondContact O-N 3.02Å; A74-R77 VanDerWaalsContact O-N 3.16Å; S75-R77 VanDerWaalsContact C-N 3.32Å; S75-R77 PolarHBondContact O-N 3.19Å |
| 78 | V | 96.5 | Very high | 97.3 | Very high | 47 Ų | 47 | 31.8 Ų | 31.8 | 29% | 0.285 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -81.4 | -43.9 | -173.8 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | A74 P145 F149 | A74-V78 WeakPolarHBondContact O-CB 3.31Å; A74-V78 VanDerWaalsContact O-CG2 3.31Å; A74-V78 WeakPolarHBondContact O-CG2 3.34Å; A74-V78 PolarHBondContact O-N 3.24Å; V78-P145 HydrophobicContact CG1-CB 3.65Å; V78-F149 HydrophobicContact CG2-CB 3.9Å; V78-F149 HydrophobicContact CG2-CD1 4.19Å; V78-F149 HydrophobicContact CG2-CD2 3.96Å; V78-F149 HydrophobicContact CG2-CG 3.75Å |
| 79 | F | 94.1 | Very high | 97.3 | Very high | 57 Ų | 57 | 32 Ų | 32 | 25% | 0.25 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -107.5 | -11.1 | -174.6 | -57.2 | -39.8 | 0 | 0 | 0 | 114.1 | S75 M81 L110 N142 P145 L146 | S75-F79 WeakPolarHBondContact O-CA 3.15Å; S75-F79 WeakPolarHBondContact O-CB 2.91Å; S75-F79 PolarHBondContact O-N 3.35Å; F79-M81 HydrophobicContact CB-CB 4.09Å; F79-M81 HydrophobicContact CB-CG 3.98Å; F79-M81 HydrophobicContact CB-SD 4.4Å; F79-M81 PolarHBondContact O-N 2.87Å; F79-L110 HydrophobicContact CD2-CD1 4.3Å; F79-N142 VanDerWaalsContact CE1-O 3.27Å; F79-N142 WeakPolarHBondContact CE1-O 3.36Å; F79-N142 WeakPolarHBondContact CZ-O 3.44Å; F79-P145 HydrophobicContact CE1-CB 4.48Å; F79-L146 HydrophobicContact CE2-CB 3.63Å; F79-L146 HydrophobicContact CE2-CD2 3.84Å; F79-L146 HydrophobicContact CE2-CG 4.23Å; F79-L146 HydrophobicContact CZ-CB 3.56Å |
| 80 | G | 94.6 | Very high | 97.2 | Very high | 67 Ų | 67 | 31.8 Ų | 31.8 | 69% | 0.691 | 16% | 0.164 | S | C | * | . | S | Bend | trans | 68.7 | 15.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S75 K76 | S75-G80 PolarHBondContact O-N 2.97Å; K76-G80 WeakPolarHBondContact O-CA 3.33Å; K76-G80 PolarHBondContact O-N 3.46Å |
| 81 | M | 94.6 | Very high | 97.2 | Very high | 107 Ų | 107 | 31.8 Ų | 31.8 | 53% | 0.527 | 16% | 0.164 | S | C | . | . | trans | -115.7 | 119.4 | -173.5 | -62.4 | -173.3 | -171.2 | 0 | 0 | 110.7 | S75 K76 F79 L110 | S75-M81 CarbonylContact C-O 3.45Å; S75-M81 WeakPolarHBondContact CB-O 3.42Å; S75-M81 PolarHBondContact O-N 3.19Å; S75-M81 PolarHBondContact OG-O 2.99Å; K76-M81 PolarHBondContact N-O 3.13Å; F79-M81 HydrophobicContact CB-CB 4.09Å; F79-M81 HydrophobicContact CB-CG 3.98Å; F79-M81 HydrophobicContact CB-SD 4.4Å; F79-M81 PolarHBondContact O-N 2.87Å; M81-L110 HydrophobicContact CB-CD2 4.04Å; M81-L110 HydrophobicContact SD-CD2 4.44Å | ||
| 82 | R | 95.5 | Very high | 97.2 | Very high | 89 Ų | 89 | 32 Ų | 32 | 34% | 0.336 | 17% | 0.165 | S | C | . | . | P | Polyproline II helix | trans | -89.6 | 127.3 | 170.7 | -177.3 | -179.1 | -178.3 | -77.7 | 4.1 | 109.8 | N29 E32 R72 K76 F84 D85 | N29-R82 PolarHBondContact OD1-NH2 3.38Å; E32-R82 IonicContact OE1-CZ 3.91Å; E32-R82 IonicContact OE1-NE 2.66Å; E32-R82 PolarHBondContact OE1-NE 3.49Å; E32-R82 IonicContact OE1-NH2 3.55Å; E32-R82 IonicContact OE2-CZ 3.75Å; E32-R82 IonicContact OE2-NE 2.65Å; E32-R82 PolarHBondContact OE2-NE 3.35Å; E32-R82 VanDerWaalsContact OE2-NE 3.15Å; E32-R82 IonicContact OE2-NH2 3.96Å; E32-R82 PolarHBondContact OE2-NH2 2.78Å; R72-R82 HydrophobicContact CG-CG 4.13Å; K76-R82 HydrophobicContact CD-CB 4.07Å; K76-R82 HydrophobicContact CD-CG 4.03Å; K76-R82 HydrophobicContact CG-CB 3.75Å; K76-R82 HydrophobicContact CG-CG 4.23Å; R82-F84 PolarHBondContact O-N 3.29Å; R82-D85 IonicContact NH1-OD1 3.68Å |
| 83 | H | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 127.4 | 171.9 | -65.9 | 75.3 | 0 | 0 | 0 | 111.7 | R72 Q87 L88 L110 T113 | R72-H83 HydrophobicContact CG-CB 4.36Å; R72-H83 PolarHBondContact NE-O 2.97Å; R72-H83 PolarHBondContact NH2-O 2.81Å; H83-Q87 HydrophobicContact CB-CB 4.39Å; H83-L88 HydrophobicContact CB-CD2 4.39Å; H83-L110 PolarHBondContact CD2-O 2.73Å; H83-L110 WeakPolarHBondContact NE2-CG 3.36Å; H83-L110 PolarHBondContact NE2-O 2.86Å; H83-T113 PolarHBondContact NE2-OG1 2.78Å |
| 84 | F | 97.3 | Very high | 97.2 | Very high | 76 Ų | 76 | 31.2 Ų | 31.2 | 33% | 0.333 | 16% | 0.162 | S | C | . | . | P | Polyproline II helix | trans | -65.9 | 155.8 | 169.4 | -56.7 | -53.6 | 0 | 0 | 0 | 110.8 | R82 V86 Q87 L88 N415 | R82-F84 PolarHBondContact O-N 3.29Å; F84-V86 HydrophobicContact CB-CG2 3.95Å; F84-V86 PolarHBondContact O-N 2.94Å; F84-Q87 HydrophobicContact CB-CG 4.17Å; F84-Q87 HydrophobicContact CD2-CG 4.39Å; F84-Q87 WeakPolarHBondContact O-CA 3.25Å; F84-Q87 WeakPolarHBondContact O-CB 3.45Å; F84-Q87 PolarHBondContact O-N 2.72Å; F84-L88 PolarHBondContact O-N 3.37Å; F84-L88 VanDerWaalsContact O-N 3.15Å; F84-N415 HydrophobicContact CD2-CB 4.21Å; F84-N415 HydrophobicContact CG-CB 4.38Å |
| 85 | D | 97.8 | Very high | 97.2 | Very high | 57 Ų | 57 | 31.4 Ų | 31.4 | 31% | 0.305 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.3 | -31.1 | 179.4 | -75.3 | 10.6 | 0 | 0 | 0 | 112.2 | V25 N29 R72 R82 Q87 L88 L89 | V25-D85 HydrophobicContact CG1-CB 3.81Å; N29-D85 PolarHBondContact ND2-OD1 3.47Å; N29-D85 PolarHBondContact ND2-OD2 3.22Å; N29-D85 PolarHBondContact OD1-OD1 3.07Å; R72-D85 IonicContact NH2-OD1 2.72Å; R72-D85 PolarHBondContact NH2-OD1 3.32Å; R82-D85 IonicContact NH1-OD1 3.68Å; D85-Q87 VanDerWaalsContact C-N 3.3Å; D85-Q87 PolarHBondContact O-N 3.21Å; D85-L88 WeakPolarHBondContact O-CB 3.42Å; D85-L88 PolarHBondContact O-N 3Å; D85-L89 WeakPolarHBondContact O-CG 3.38Å; D85-L89 PolarHBondContact O-N 3.1Å; D85-L89 VanDerWaalsContact O-N 3.09Å |
| 86 | V | 96.8 | Very high | 97.1 | Very high | 16 Ų | 16 | 35.1 Ų | 35.1 | 10% | 0.097 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.7 | -29.5 | 173.4 | -58.9 | 0 | 0 | 0 | 0 | 112.8 | F84 L89 G90 V412 P413 N415 | F84-V86 HydrophobicContact CB-CG2 3.95Å; F84-V86 PolarHBondContact O-N 2.94Å; V86-L89 WeakPolarHBondContact O-CB 3.43Å; V86-L89 PolarHBondContact O-N 2.97Å; V86-G90 PolarHBondContact O-N 3.35Å; V86-V412 HydrophobicContact CB-CG1 4.11Å; V86-V412 VanDerWaalsContact O-CG1 3.28Å; V86-V412 WeakPolarHBondContact O-CG1 3.48Å; V86-P413 WeakPolarHBondContact CB-O 3.02Å; V86-P413 HydrophobicContact CG1-CG 4.12Å; V86-P413 WeakPolarHBondContact CG1-O 3.42Å; V86-N415 HydrophobicContact CG2-CB 3.85Å |
| 87 | Q | 98.3 | Very high | 97 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 2% | 0.023 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.8 | -36.1 | 175 | -62.5 | 175 | -37.6 | 0 | 0 | 110.6 | H83 F84 D85 L89 G90 G91 M102 E106 G107 T111 | H83-Q87 HydrophobicContact CB-CB 4.39Å; F84-Q87 HydrophobicContact CB-CG 4.17Å; F84-Q87 HydrophobicContact CD2-CG 4.39Å; F84-Q87 WeakPolarHBondContact O-CA 3.25Å; F84-Q87 WeakPolarHBondContact O-CB 3.45Å; F84-Q87 PolarHBondContact O-N 2.72Å; D85-Q87 VanDerWaalsContact C-N 3.3Å; D85-Q87 PolarHBondContact O-N 3.21Å; Q87-L89 VanDerWaalsContact C-N 3.32Å; Q87-L89 PolarHBondContact O-N 3.22Å; Q87-G90 PolarHBondContact O-N 2.98Å; Q87-G91 PolarHBondContact O-N 3.4Å; Q87-M102 HydrophobicContact CG-CE 4.19Å; Q87-E106 PolarHBondContact NE2-O 2.79Å; Q87-G107 PolarHBondContact NE2-O 2.87Å; Q87-T111 HydrophobicContact CB-CG2 4.43Å; Q87-T111 VanDerWaalsContact CB-OG1 3.31Å; Q87-T111 WeakPolarHBondContact CB-OG1 3.39Å; Q87-T111 VanDerWaalsContact CG-OG1 3.29Å; Q87-T111 WeakPolarHBondContact CG-OG1 3.38Å; Q87-T111 VanDerWaalsContact O-CG2 3.23Å; Q87-T111 WeakPolarHBondContact O-CG2 3.5Å |
| 88 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.3 | -40.5 | 169.6 | -64 | -175 | 0 | 0 | 0 | 112.2 | V25 I28 F68 H83 F84 D85 G91 M92 L114 | V25-L88 HydrophobicContact CB-CD1 4.5Å; V25-L88 HydrophobicContact CG1-CD1 4.03Å; V25-L88 HydrophobicContact CG2-CB 3.99Å; V25-L88 HydrophobicContact CG2-CD1 4.39Å; I28-L88 HydrophobicContact CB-CD1 3.98Å; I28-L88 HydrophobicContact CD1-CD1 3.91Å; I28-L88 HydrophobicContact CD1-CD2 4.46Å; I28-L88 HydrophobicContact CG2-CD1 3.67Å; I28-L88 HydrophobicContact CG2-CD2 4.38Å; F68-L88 HydrophobicContact CB-CD2 4.19Å; F68-L88 HydrophobicContact CD2-CD2 4.06Å; H83-L88 HydrophobicContact CB-CD2 4.39Å; F84-L88 PolarHBondContact O-N 3.37Å; F84-L88 VanDerWaalsContact O-N 3.15Å; D85-L88 WeakPolarHBondContact O-CB 3.42Å; D85-L88 PolarHBondContact O-N 3Å; L88-G91 PolarHBondContact O-N 3.24Å; L88-M92 HydrophobicContact CB-CE 4.47Å; L88-M92 VanDerWaalsContact O-CE 3.31Å; L88-M92 WeakPolarHBondContact O-CE 3.33Å; L88-M92 PolarHBondContact O-N 2.63Å; L88-M92 VanDerWaalsContact O-N 3.08Å; L88-L114 HydrophobicContact CD2-CD1 3.85Å; L88-L114 HydrophobicContact CD2-CD2 4.06Å |
| 89 | L | 98.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.8 | -47.7 | 172.9 | -65.5 | 173.9 | 0 | 0 | 0 | 110.8 | L18 M21 R22 V25 D85 V86 Q87 G91 M92 V93 V412 P413 | L18-L89 HydrophobicContact CD2-CD1 4.34Å; M21-L89 HydrophobicContact CB-CD2 3.51Å; R22-L89 HydrophobicContact CG-CD1 4.3Å; R22-L89 HydrophobicContact CG-CD2 4.04Å; V25-L89 HydrophobicContact CG2-CD2 3.67Å; V25-L89 HydrophobicContact CG2-CG 4.03Å; D85-L89 WeakPolarHBondContact O-CG 3.38Å; D85-L89 PolarHBondContact O-N 3.1Å; D85-L89 VanDerWaalsContact O-N 3.09Å; V86-L89 WeakPolarHBondContact O-CB 3.43Å; V86-L89 PolarHBondContact O-N 2.97Å; Q87-L89 VanDerWaalsContact C-N 3.32Å; Q87-L89 PolarHBondContact O-N 3.22Å; L89-G91 PolarHBondContact O-N 2.96Å; L89-M92 HydrophobicContact CD2-CE 4.14Å; L89-M92 PolarHBondContact O-N 2.84Å; L89-V93 WeakPolarHBondContact O-CG2 3.35Å; L89-V93 PolarHBondContact O-N 2.91Å; L89-V412 HydrophobicContact CB-CG1 4.27Å; L89-P413 HydrophobicContact CD1-CG 4.43Å |
| 90 | G | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.6 | -46.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V86 Q87 M92 V93 L94 | V86-G90 PolarHBondContact O-N 3.35Å; Q87-G90 PolarHBondContact O-N 2.98Å; G90-M92 VanDerWaalsContact C-N 3.32Å; G90-M92 PolarHBondContact O-N 3.31Å; G90-V93 WeakPolarHBondContact O-CB 3.47Å; G90-V93 PolarHBondContact O-N 3.4Å; G90-L94 VanDerWaalsContact O-CG 3.28Å; G90-L94 WeakPolarHBondContact O-CG 3.48Å; G90-L94 PolarHBondContact O-N 3.16Å |
| 91 | G | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.4 | -38.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q87 L88 L89 N95 | Q87-G91 PolarHBondContact O-N 3.4Å; L88-G91 PolarHBondContact O-N 3.24Å; L89-G91 PolarHBondContact O-N 2.96Å; G91-N95 PolarHBondContact O-N 3.03Å |
| 92 | M | 98.5 | Very high | 97.3 | Very high | 5 Ų | 5 | 23.8 Ų | 23.8 | 3% | 0.025 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.5 | -39.8 | 175.2 | -76.8 | -177.4 | -84.1 | 0 | 0 | 112.5 | M21 V24 V25 I64 F68 L88 L89 G90 L94 N95 E96 | M21-M92 HydrophobicContact CB-CE 3.92Å; M21-M92 HydrophobicContact CB-SD 4.05Å; M21-M92 HydrophobicContact CE-CB 4.18Å; M21-M92 HydrophobicContact CG-CB 4.25Å; M21-M92 HydrophobicContact CG-SD 4.21Å; M21-M92 HydrophobicContact SD-CB 4.09Å; V24-M92 HydrophobicContact CB-CE 4.3Å; V24-M92 HydrophobicContact CB-SD 3.69Å; V24-M92 HydrophobicContact CG1-SD 3.73Å; V24-M92 HydrophobicContact CG2-SD 4.28Å; V25-M92 HydrophobicContact CG2-CE 3.53Å; I64-M92 HydrophobicContact CG2-CG 3.87Å; I64-M92 HydrophobicContact CG2-SD 4.21Å; F68-M92 HydrophobicContact CD2-CG 4.43Å; F68-M92 HydrophobicContact CE2-CG 3.77Å; F68-M92 HydrophobicContact CZ-CG 4.44Å; L88-M92 HydrophobicContact CB-CE 4.47Å; L88-M92 VanDerWaalsContact O-CE 3.31Å; L88-M92 WeakPolarHBondContact O-CE 3.33Å; L88-M92 PolarHBondContact O-N 2.63Å; L88-M92 VanDerWaalsContact O-N 3.08Å; L89-M92 HydrophobicContact CD2-CE 4.14Å; L89-M92 PolarHBondContact O-N 2.84Å; G90-M92 VanDerWaalsContact C-N 3.32Å; G90-M92 PolarHBondContact O-N 3.31Å; M92-L94 VanDerWaalsContact C-N 3.33Å; M92-N95 PolarHBondContact O-N 2.79Å; M92-E96 PolarHBondContact O-N 3.43Å |
| 93 | V | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.8 | -47.6 | 174.1 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | M21 L89 G90 N95 E96 C98 A100 V410 | M21-V93 HydrophobicContact CE-CG2 3.85Å; M21-V93 HydrophobicContact SD-CG2 3.74Å; L89-V93 WeakPolarHBondContact O-CG2 3.35Å; L89-V93 PolarHBondContact O-N 2.91Å; G90-V93 WeakPolarHBondContact O-CB 3.47Å; G90-V93 PolarHBondContact O-N 3.4Å; V93-N95 VanDerWaalsContact C-N 3.28Å; V93-N95 PolarHBondContact O-N 3.12Å; V93-E96 PolarHBondContact O-N 2.86Å; V93-C98 HydrophobicContact CG1-CB 3.58Å; V93-C98 WeakPolarHBondContact O-CB 3.37Å; V93-C98 PolarHBondContact O-N 3.01Å; V93-A100 HydrophobicContact CB-CB 4.15Å; V93-A100 HydrophobicContact CG1-CB 3.72Å; V93-V410 HydrophobicContact CB-CB 4.49Å; V93-V410 HydrophobicContact CG1-CB 3.74Å; V93-V410 HydrophobicContact CG1-CG1 4.47Å; V93-V410 HydrophobicContact CG1-CG2 3.99Å; V93-V410 HydrophobicContact CG2-CB 3.82Å; V93-V410 HydrophobicContact CG2-CG1 3.63Å; V93-V410 HydrophobicContact CG2-CG2 4.22Å |
| 94 | L | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.4 | -38.5 | 177.6 | -67.4 | 171.9 | 0 | 0 | 0 | 111.5 | G90 M92 E96 R97 A100 T111 P115 Y205 L207 A388 G389 M390 | G90-L94 VanDerWaalsContact O-CG 3.28Å; G90-L94 WeakPolarHBondContact O-CG 3.48Å; G90-L94 PolarHBondContact O-N 3.16Å; M92-L94 VanDerWaalsContact C-N 3.33Å; L94-E96 VanDerWaalsContact C-N 3.28Å; L94-E96 PolarHBondContact O-N 2.83Å; L94-R97 PolarHBondContact O-N 2.83Å; L94-A100 HydrophobicContact CD2-CB 3.91Å; L94-A100 HydrophobicContact CG-CB 4.04Å; L94-T111 HydrophobicContact CD1-CG2 4.35Å; L94-P115 HydrophobicContact CB-CB 4.14Å; L94-P115 HydrophobicContact CB-CG 3.8Å; L94-P115 HydrophobicContact CD1-CG 3.99Å; L94-Y205 PolarHBondContact O-OH 3.4Å; L94-L207 HydrophobicContact CB-CD1 4.11Å; L94-L207 HydrophobicContact CD1-CD1 3.85Å; L94-L207 HydrophobicContact CD2-CD1 3.62Å; L94-L207 HydrophobicContact CG-CD1 4.05Å; L94-A388 HydrophobicContact CB-CB 4.4Å; L94-A388 HydrophobicContact CD2-CB 4.19Å; L94-A388 WeakPolarHBondContact O-CB 3.5Å; L94-G389 VanDerWaalsContact CD2-C 3.46Å; L94-G389 WeakPolarHBondContact CD2-O 3.43Å; L94-M390 HydrophobicContact CD1-SD 4.2Å; L94-M390 HydrophobicContact CD2-CB 4.17Å |
| 95 | N | 98 | Very high | 95.7 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.8 | -26.2 | 174 | -170.3 | 65.4 | 0 | 0 | 0 | 113.7 | G91 M92 V93 R97 P115 L118 N119 K386 | G91-N95 PolarHBondContact O-N 3.03Å; M92-N95 PolarHBondContact O-N 2.79Å; V93-N95 VanDerWaalsContact C-N 3.28Å; V93-N95 PolarHBondContact O-N 3.12Å; N95-R97 VanDerWaalsContact C-N 3.28Å; N95-R97 PolarHBondContact O-N 3.42Å; N95-P115 HydrophobicContact CB-CB 4.44Å; N95-L118 HydrophobicContact CB-CD2 4.43Å; N95-L118 WeakPolarHBondContact OD1-CD2 3.4Å; N95-N119 PolarHBondContact OD1-ND2 2.95Å; N95-K386 WeakPolarHBondContact O-CE 3.46Å; N95-K386 PolarHBondContact O-NZ 2.73Å; N95-K386 PolarHBondContact OD1-NZ 3.38Å |
| 96 | E | 95.8 | Very high | 95.3 | Very high | 78 Ų | 78 | 20.4 Ų | 20.4 | 36% | 0.364 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 21.1 | -179.4 | -74.9 | -171.8 | -162.4 | 0 | 0 | 114 | R20 M21 M92 V93 L94 C98 | R20-E96 IonicContact CZ-OE1 3.46Å; R20-E96 IonicContact CZ-OE2 3.54Å; R20-E96 IonicContact NH2-OE1 3.49Å; R20-E96 PolarHBondContact NH2-OE1 2.99Å; R20-E96 IonicContact NH2-OE2 3.2Å; R20-E96 PolarHBondContact NH2-OE2 3.44Å; M21-E96 HydrophobicContact CE-CG 4.2Å; M21-E96 VanDerWaalsContact CE-OE1 3.27Å; M21-E96 WeakPolarHBondContact CE-OE1 3.37Å; M21-E96 WeakPolarHBondContact CE-OE2 3.26Å; M92-E96 PolarHBondContact O-N 3.43Å; V93-E96 PolarHBondContact O-N 2.86Å; L94-E96 VanDerWaalsContact C-N 3.28Å; L94-E96 PolarHBondContact O-N 2.83Å; E96-C98 VanDerWaalsContact C-N 3.3Å; E96-C98 PolarHBondContact O-N 2.99Å; E96-C98 PolarHBondContact O-SG 2.86Å; E96-C98 VanDerWaalsContact O-SG 3.36Å |
| 97 | R | 96 | Very high | 95 | Very high | 122 Ų | 122 | 21 Ų | 21 | 46% | 0.46 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 41.9 | -177.9 | -58.7 | 174 | -173.6 | -151.8 | -4.3 | 112.5 | L94 N95 E385 K386 L387 L407 | L94-R97 PolarHBondContact O-N 2.83Å; N95-R97 VanDerWaalsContact C-N 3.28Å; N95-R97 PolarHBondContact O-N 3.42Å; R97-E385 PolarHBondContact NH1-O 3.03Å; R97-E385 PolarHBondContact NH2-O 3.03Å; R97-K386 HydrophobicContact CG-CB 4.49Å; R97-K386 HydrophobicContact CG-CD 4.49Å; R97-K386 HydrophobicContact CG-CG 3.53Å; R97-L387 WeakPolarHBondContact CA-O 3.44Å; R97-L407 WeakPolarHBondContact O-CD2 3.2Å |
| 98 | C | 96.7 | Very high | 94.8 | Very high | 12 Ų | 12 | 21.6 Ų | 21.6 | 8% | 0.081 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 164.4 | -178.6 | -67.9 | 0 | 0 | 0 | 0 | 111.2 | V93 E96 G389 D408 V410 | V93-C98 HydrophobicContact CG1-CB 3.58Å; V93-C98 WeakPolarHBondContact O-CB 3.37Å; V93-C98 PolarHBondContact O-N 3.01Å; E96-C98 VanDerWaalsContact C-N 3.3Å; E96-C98 PolarHBondContact O-N 2.99Å; E96-C98 PolarHBondContact O-SG 2.86Å; E96-C98 VanDerWaalsContact O-SG 3.36Å; C98-G389 PolarHBondContact O-N 2.76Å; C98-D408 CarbonylContact C-O 3.59Å; C98-D408 WeakPolarHBondContact CA-O 3.04Å; C98-D408 VanDerWaalsContact CB-O 3.29Å; C98-D408 WeakPolarHBondContact CB-O 3.45Å; C98-V410 HydrophobicContact CB-CG2 4.31Å |
| 99 | I | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 120.2 | 166.5 | -56.9 | -50.4 | 0 | 0 | 0 | 109.4 | V211 G389 T391 A394 F401 L407 D408 T409 V410 | I99-V211 HydrophobicContact CD1-CB 4.34Å; I99-V211 HydrophobicContact CD1-CG1 3.94Å; I99-V211 HydrophobicContact CD1-CG2 3.68Å; I99-V211 HydrophobicContact CG2-CG1 3.76Å; I99-G389 CarbonylContact C-O 3.57Å; I99-G389 VanDerWaalsContact CA-O 3.23Å; I99-G389 WeakPolarHBondContact CA-O 3.44Å; I99-T391 HydrophobicContact CG2-CG2 4.24Å; I99-A394 HydrophobicContact CG2-CB 3.49Å; I99-A394 VanDerWaalsContact CG2-CB 3.49Å; I99-F401 HydrophobicContact CG1-CB 4.47Å; I99-F401 HydrophobicContact CG1-CD1 4.27Å; I99-F401 HydrophobicContact CG1-CD2 4.33Å; I99-F401 HydrophobicContact CG1-CG 4.13Å; I99-L407 HydrophobicContact CD1-CB 4.24Å; I99-L407 HydrophobicContact CD1-CD1 3.58Å; I99-L407 HydrophobicContact CD1-CG 4.5Å; I99-L407 HydrophobicContact CG1-CB 4Å; I99-L407 HydrophobicContact CG1-CD1 4.23Å; I99-D408 PolarHBondContact N-O 3.05Å; I99-T409 HydrophobicContact CB-CG2 4.45Å; I99-T409 HydrophobicContact CG2-CG2 4.42Å; I99-V410 PolarHBondContact O-N 3.42Å |
| 100 | A | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 106.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | V93 L94 M102 G389 M390 T391 V412 | V93-A100 HydrophobicContact CB-CB 4.15Å; V93-A100 HydrophobicContact CG1-CB 3.72Å; L94-A100 HydrophobicContact CD2-CB 3.91Å; L94-A100 HydrophobicContact CG-CB 4.04Å; A100-M102 HydrophobicContact CB-CG 4.3Å; A100-M102 PolarHBondContact O-N 2.88Å; A100-G389 PolarHBondContact N-O 3.26Å; A100-M390 HydrophobicContact CB-CB 4.4Å; A100-M390 VanDerWaalsContact O-CA 3.31Å; A100-M390 WeakPolarHBondContact O-CA 3.06Å; A100-T391 PolarHBondContact O-N 2.83Å; A100-T391 VanDerWaalsContact O-N 3.15Å; A100-V412 HydrophobicContact CB-CG2 4.4Å |
| 101 | E | 96.4 | Very high | 94.4 | Very high | 29 Ų | 29 | 24.3 Ų | 24.3 | 14% | 0.136 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 107 | 165.5 | -177.9 | 177.6 | 132.3 | 0 | 0 | 108.9 | T391 A394 D395 T409 V410 V411 V412 | E101-T391 CarbonylContact C-O 3.54Å; E101-T391 WeakPolarHBondContact CA-O 3.39Å; E101-A394 HydrophobicContact CB-CB 4.27Å; E101-A394 PolarHBondContact OE2-N 2.94Å; E101-D395 VanDerWaalsContact OE2-CB 3.26Å; E101-D395 WeakPolarHBondContact OE2-CB 3.31Å; E101-D395 PolarHBondContact OE2-N 3.44Å; E101-T409 HydrophobicContact CB-CG2 4.42Å; E101-V410 PolarHBondContact N-O 3.44Å; E101-V411 HydrophobicContact CB-CG2 4.27Å; E101-V412 PolarHBondContact O-N 3.41Å |
| 102 | M | 94.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | trans | -123.7 | 118.6 | 176.1 | -65 | -173.1 | 73.2 | 0 | 0 | 108.4 | Q87 A100 E106 K108 T111 T391 G392 V412 | Q87-M102 HydrophobicContact CG-CE 4.19Å; A100-M102 HydrophobicContact CB-CG 4.3Å; A100-M102 PolarHBondContact O-N 2.88Å; M102-E106 HydrophobicContact CE-CB 4.21Å; M102-K108 HydrophobicContact CB-CD 4.48Å; M102-K108 HydrophobicContact CB-CG 4.07Å; M102-T111 HydrophobicContact CE-CG2 4.18Å; M102-T111 WeakPolarHBondContact CE-OG1 3.43Å; M102-T111 HydrophobicContact SD-CG2 3.72Å; M102-T391 PolarHBondContact N-O 3.3Å; M102-T391 CarbonylContact O-C 3.57Å; M102-T391 VanDerWaalsContact O-O 3.11Å; M102-G392 VanDerWaalsContact O-CA 3.25Å; M102-G392 WeakPolarHBondContact O-CA 3.17Å; M102-V412 HydrophobicContact CE-CG1 4.48Å; M102-V412 HydrophobicContact CG-CB 3.9Å; M102-V412 HydrophobicContact CG-CG1 4.34Å; M102-V412 HydrophobicContact CG-CG2 3.92Å | ||
| 103 | R | 89.7 | Confident | 94.3 | Very high | 105 Ų | 105 | 24.2 Ų | 24.2 | 40% | 0.396 | 12% | 0.122 | S | C | . | . | trans | -53.1 | 149 | -178.1 | -66 | -163.8 | -177.9 | 172.5 | -2.6 | 111.7 | G105 E106 T414 M418 | R103-G105 PolarHBondContact O-N 3.29Å; R103-E106 HydrophobicContact CB-CG 4.02Å; R103-E106 VanDerWaalsContact O-CB 3.26Å; R103-E106 WeakPolarHBondContact O-CB 3.39Å; R103-E106 WeakPolarHBondContact O-CG 3.42Å; R103-E106 PolarHBondContact O-N 3.04Å; R103-T414 HydrophobicContact CB-CG2 4.18Å; R103-T414 HydrophobicContact CG-CG2 3.98Å; R103-M418 VanDerWaalsContact NH1-CG 3.31Å | ||
| 104 | T | 83.1 | Confident | 94.4 | Very high | 18 Ų | 18 | 24.2 Ų | 24.2 | 11% | 0.11 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 132.5 | 175.1 | 43.2 | 0 | 0 | 0 | 0 | 111 | G573 | T104-G573 WeakPolarHBondContact OG1-CA 3.42Å; T104-G573 PolarHBondContact OG1-O 3.12Å |
| 105 | G | 82.6 | Confident | 94.4 | Very high | 18 Ų | 18 | 24.2 Ų | 24.2 | 19% | 0.186 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 3.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R103 G107 Q578 | R103-G105 PolarHBondContact O-N 3.29Å; G105-G107 PolarHBondContact O-N 3.12Å; G105-Q578 PolarHBondContact O-NE2 3.36Å |
| 106 | E | 90.2 | Very high | 94.4 | Very high | 9 Ų | 9 | 24 Ų | 24 | 4% | 0.042 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -82 | 6.1 | 172.1 | -63.6 | -64.8 | 152.7 | 0 | 0 | 113.4 | Q87 M102 R103 T414 N415 Q578 | Q87-E106 PolarHBondContact NE2-O 2.79Å; M102-E106 HydrophobicContact CE-CB 4.21Å; R103-E106 HydrophobicContact CB-CG 4.02Å; R103-E106 VanDerWaalsContact O-CB 3.26Å; R103-E106 WeakPolarHBondContact O-CB 3.39Å; R103-E106 WeakPolarHBondContact O-CG 3.42Å; R103-E106 PolarHBondContact O-N 3.04Å; E106-T414 HydrophobicContact CG-CG2 4.47Å; E106-T414 VanDerWaalsContact OE1-CB 3.23Å; E106-T414 WeakPolarHBondContact OE1-CB 3.36Å; E106-T414 WeakPolarHBondContact OE1-CG2 3.43Å; E106-N415 WeakPolarHBondContact OE2-CB 3.45Å; E106-N415 PolarHBondContact OE2-N 3.36Å; E106-Q578 PolarHBondContact OE2-NE2 3.06Å |
| 107 | G | 90.7 | Very high | 94.6 | Very high | 28 Ų | 28 | 20.3 Ų | 20.3 | 29% | 0.289 | 10% | 0.104 | S | C | . | . | trans | 74.6 | 54.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q87 G105 L110 T111 | Q87-G107 PolarHBondContact NE2-O 2.87Å; G105-G107 PolarHBondContact O-N 3.12Å; G107-L110 PolarHBondContact O-N 3.46Å; G107-T111 WeakPolarHBondContact O-CB 3.35Å; G107-T111 PolarHBondContact O-N 3.05Å; G107-T111 PolarHBondContact O-OG1 3.43Å | ||
| 108 | K | 93.5 | Very high | 94.7 | Very high | 19 Ų | 19 | 14.5 Ų | 14.5 | 8% | 0.083 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59 | -48 | 177.8 | -69.3 | -170.1 | -65.5 | 157.6 | 0 | 112.6 | M102 L110 T111 A112 D209 E210 M390 | M102-K108 HydrophobicContact CB-CD 4.48Å; M102-K108 HydrophobicContact CB-CG 4.07Å; K108-L110 VanDerWaalsContact C-N 3.32Å; K108-L110 PolarHBondContact O-N 3.44Å; K108-T111 CarbonylContact O-C 3.52Å; K108-T111 WeakPolarHBondContact O-CA 3.48Å; K108-T111 WeakPolarHBondContact O-CB 3.39Å; K108-T111 PolarHBondContact O-N 3.34Å; K108-A112 PolarHBondContact O-N 2.94Å; K108-D209 IonicContact NZ-OD1 3.35Å; K108-D209 PolarHBondContact NZ-OD1 3.48Å; K108-D209 VanDerWaalsContact NZ-OD1 3.14Å; K108-E210 IonicContact NZ-OE1 3.24Å; K108-E210 PolarHBondContact NZ-OE1 2.9Å; K108-E210 IonicContact NZ-OE2 3.15Å; K108-E210 PolarHBondContact NZ-OE2 3.31Å; K108-M390 HydrophobicContact CB-CE 4.16Å; K108-M390 HydrophobicContact CB-SD 3.76Å; K108-M390 HydrophobicContact CD-CB 4.47Å; K108-M390 HydrophobicContact CD-CG 4.44Å; K108-M390 HydrophobicContact CG-SD 4.42Å |
| 109 | T | 92.4 | Very high | 94.8 | Very high | 40 Ų | 40 | 14 Ų | 14 | 25% | 0.245 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -56 | -44.7 | 177.2 | -49.5 | 0 | 0 | 0 | 0 | 112 | A112 D139 | T109-A112 PolarHBondContact O-N 2.92Å; T109-D139 HydrophobicContact CG2-CB 4.33Å |
| 110 | L | 95.8 | Very high | 94.8 | Very high | 22 Ų | 22 | 14 Ų | 14 | 12% | 0.115 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69.3 | -33.8 | 175.7 | -176.7 | 60.6 | 0 | 0 | 0 | 112.3 | S75 F79 M81 H83 G107 K108 A112 T113 | S75-L110 WeakPolarHBondContact OG-CD1 3.28Å; F79-L110 HydrophobicContact CD2-CD1 4.3Å; M81-L110 HydrophobicContact CB-CD2 4.04Å; M81-L110 HydrophobicContact SD-CD2 4.44Å; H83-L110 PolarHBondContact CD2-O 2.73Å; H83-L110 WeakPolarHBondContact NE2-CG 3.36Å; H83-L110 PolarHBondContact NE2-O 2.86Å; G107-L110 PolarHBondContact O-N 3.46Å; K108-L110 VanDerWaalsContact C-N 3.32Å; K108-L110 PolarHBondContact O-N 3.44Å; L110-A112 VanDerWaalsContact C-N 3.35Å; L110-T113 PolarHBondContact O-N 3.25Å; L110-T113 PolarHBondContact O-OG1 3.5Å |
| 111 | T | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.8 | -38.1 | 176.4 | -59.1 | 0 | 0 | 0 | 0 | 112 | Q87 L94 M102 G107 K108 T113 L114 P115 | Q87-T111 HydrophobicContact CB-CG2 4.43Å; Q87-T111 VanDerWaalsContact CB-OG1 3.31Å; Q87-T111 WeakPolarHBondContact CB-OG1 3.39Å; Q87-T111 VanDerWaalsContact CG-OG1 3.29Å; Q87-T111 WeakPolarHBondContact CG-OG1 3.38Å; Q87-T111 VanDerWaalsContact O-CG2 3.23Å; Q87-T111 WeakPolarHBondContact O-CG2 3.5Å; L94-T111 HydrophobicContact CD1-CG2 4.35Å; M102-T111 HydrophobicContact CE-CG2 4.18Å; M102-T111 WeakPolarHBondContact CE-OG1 3.43Å; M102-T111 HydrophobicContact SD-CG2 3.72Å; G107-T111 WeakPolarHBondContact O-CB 3.35Å; G107-T111 PolarHBondContact O-N 3.05Å; G107-T111 PolarHBondContact O-OG1 3.43Å; K108-T111 CarbonylContact O-C 3.52Å; K108-T111 WeakPolarHBondContact O-CA 3.48Å; K108-T111 WeakPolarHBondContact O-CB 3.39Å; K108-T111 PolarHBondContact O-N 3.34Å; T111-T113 PolarHBondContact O-N 3.31Å; T111-L114 WeakPolarHBondContact O-CB 3.32Å; T111-L114 PolarHBondContact O-N 2.95Å; T111-P115 WeakPolarHBondContact O-CD 3.46Å |
| 112 | A | 97.7 | Very high | 94.8 | Very high | 3 Ų | 3 | 14.9 Ų | 14.9 | 3% | 0.025 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62 | -25.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K108 T109 L110 L114 P115 A116 L207 M390 | K108-A112 PolarHBondContact O-N 2.94Å; T109-A112 PolarHBondContact O-N 2.92Å; L110-A112 VanDerWaalsContact C-N 3.35Å; A112-L114 PolarHBondContact O-N 3.46Å; A112-P115 VanDerWaalsContact O-CD 3.27Å; A112-P115 WeakPolarHBondContact O-CD 3.38Å; A112-P115 WeakPolarHBondContact O-CG 3.31Å; A112-A116 WeakPolarHBondContact O-CB 3.49Å; A112-A116 PolarHBondContact O-N 3.07Å; A112-A116 VanDerWaalsContact O-N 3.13Å; A112-L207 HydrophobicContact CB-CD2 3.52Å; A112-M390 HydrophobicContact CB-CE 3.6Å; A112-M390 HydrophobicContact CB-SD 4.14Å |
| 113 | T | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.4 | -29.2 | 179.9 | 69 | 0 | 0 | 0 | 0 | 112.6 | H83 L110 T111 Y117 L146 F147 | H83-T113 PolarHBondContact NE2-OG1 2.78Å; L110-T113 PolarHBondContact O-N 3.25Å; L110-T113 PolarHBondContact O-OG1 3.5Å; T111-T113 PolarHBondContact O-N 3.31Å; T113-Y117 VanDerWaalsContact O-CB 3.29Å; T113-Y117 WeakPolarHBondContact O-CB 3.33Å; T113-Y117 PolarHBondContact O-N 2.88Å; T113-L146 HydrophobicContact CG2-CD2 3.84Å; T113-F147 HydrophobicContact CG2-CE2 4.46Å; T113-F147 HydrophobicContact CG2-CZ 4.03Å |
| 114 | L | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.3 | -61.5 | 179.4 | -61.8 | 164 | 0 | 0 | 0 | 112.5 | F68 V71 L88 T111 A112 A116 L118 | F68-L114 HydrophobicContact CB-CD2 4.06Å; F68-L114 HydrophobicContact CD1-CB 4.08Å; F68-L114 HydrophobicContact CD1-CD2 4.32Å; F68-L114 HydrophobicContact CD2-CB 4.2Å; F68-L114 HydrophobicContact CD2-CD1 4.31Å; F68-L114 HydrophobicContact CD2-CD2 4.21Å; F68-L114 HydrophobicContact CD2-CG 4.5Å; F68-L114 HydrophobicContact CE1-CB 3.84Å; F68-L114 WeakPolarHBondContact CE1-O 3.14Å; F68-L114 HydrophobicContact CE2-CB 3.96Å; F68-L114 HydrophobicContact CE2-CD1 4.36Å; F68-L114 HydrophobicContact CG-CB 4.26Å; F68-L114 HydrophobicContact CG-CD2 3.96Å; F68-L114 HydrophobicContact CZ-CB 3.78Å; V71-L114 HydrophobicContact CB-CD2 3.91Å; V71-L114 HydrophobicContact CG1-CD2 3.73Å; V71-L114 HydrophobicContact CG1-CG 4.39Å; L88-L114 HydrophobicContact CD2-CD1 3.85Å; L88-L114 HydrophobicContact CD2-CD2 4.06Å; T111-L114 WeakPolarHBondContact O-CB 3.32Å; T111-L114 PolarHBondContact O-N 2.95Å; A112-L114 PolarHBondContact O-N 3.46Å; L114-A116 VanDerWaalsContact C-N 3.32Å; L114-A116 PolarHBondContact O-N 3.37Å; L114-L118 PolarHBondContact O-N 2.81Å |
| 115 | P | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70.1 | -28.8 | 178.1 | 30.9 | -38.4 | 0 | 0 | 0 | 112.3 | L94 N95 T111 A112 L118 N119 Y205 L207 | L94-P115 HydrophobicContact CB-CB 4.14Å; L94-P115 HydrophobicContact CB-CG 3.8Å; L94-P115 HydrophobicContact CD1-CG 3.99Å; N95-P115 HydrophobicContact CB-CB 4.44Å; T111-P115 WeakPolarHBondContact O-CD 3.46Å; A112-P115 VanDerWaalsContact O-CD 3.27Å; A112-P115 WeakPolarHBondContact O-CD 3.38Å; A112-P115 WeakPolarHBondContact O-CG 3.31Å; P115-L118 PolarHBondContact O-N 3.47Å; P115-N119 WeakPolarHBondContact O-CB 3.41Å; P115-N119 PolarHBondContact O-N 2.89Å; P115-N119 PolarHBondContact O-ND2 3.3Å; P115-Y205 HydrophobicContact CB-CE1 4.44Å; P115-L207 HydrophobicContact CG-CD2 4.18Å |
| 116 | A | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.7 | -49 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | A112 L114 L118 N119 A120 V126 F147 I174 | A112-A116 WeakPolarHBondContact O-CB 3.49Å; A112-A116 PolarHBondContact O-N 3.07Å; A112-A116 VanDerWaalsContact O-N 3.13Å; L114-A116 VanDerWaalsContact C-N 3.32Å; L114-A116 PolarHBondContact O-N 3.37Å; A116-L118 PolarHBondContact O-N 2.94Å; A116-N119 PolarHBondContact O-N 2.73Å; A116-A120 WeakPolarHBondContact O-CB 3.49Å; A116-A120 PolarHBondContact O-N 3.43Å; A116-V126 HydrophobicContact CB-CG1 4.28Å; A116-F147 HydrophobicContact CB-CE1 4.39Å; A116-F147 HydrophobicContact CB-CZ 4.04Å; A116-I174 HydrophobicContact CB-CD1 4.15Å |
| 117 | Y | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.6 | -51.6 | 173.6 | 174.8 | -98.6 | 0 | 0 | 0 | 111.5 | T47 F50 A67 V71 T113 N119 A120 L121 L150 L152 | T47-Y117 WeakPolarHBondContact OG1-CE2 3.5Å; T47-Y117 PolarHBondContact OG1-OH 2.66Å; F50-Y117 HydrophobicContact CD2-CE1 4.24Å; F50-Y117 WeakPolarHBondContact CD2-OH 3.43Å; F50-Y117 HydrophobicContact CE2-CE1 4.27Å; A67-Y117 HydrophobicContact CB-CD1 4.09Å; A67-Y117 HydrophobicContact CB-CE1 3.9Å; V71-Y117 HydrophobicContact CG2-CD1 3.32Å; V71-Y117 HydrophobicContact CG2-CD2 4.07Å; V71-Y117 HydrophobicContact CG2-CE1 4.03Å; V71-Y117 HydrophobicContact CG2-CG 3.34Å; T113-Y117 VanDerWaalsContact O-CB 3.29Å; T113-Y117 WeakPolarHBondContact O-CB 3.33Å; T113-Y117 PolarHBondContact O-N 2.88Å; Y117-N119 PolarHBondContact O-N 2.96Å; Y117-A120 WeakPolarHBondContact O-CB 3.37Å; Y117-A120 PolarHBondContact O-N 2.86Å; Y117-L121 HydrophobicContact CE1-CD1 4.11Å; Y117-L121 HydrophobicContact CE1-CD2 4.25Å; Y117-L121 HydrophobicContact CE1-CG 4.4Å; Y117-L121 HydrophobicContact CE2-CD2 4.36Å; Y117-L121 WeakPolarHBondContact O-CG 3.47Å; Y117-L121 PolarHBondContact O-N 2.68Å; Y117-L150 HydrophobicContact CD2-CB 4.3Å; Y117-L150 HydrophobicContact CD2-CD1 3.73Å; Y117-L150 HydrophobicContact CE2-CB 3.87Å; Y117-L150 HydrophobicContact CE2-CD1 3.8Å; Y117-L150 HydrophobicContact CE2-CG 4.32Å; Y117-L150 HydrophobicContact CG-CD1 4.42Å; Y117-L152 HydrophobicContact CD2-CD1 3.49Å; Y117-L152 VanDerWaalsContact CD2-CD1 3.49Å; Y117-L152 HydrophobicContact CD2-CG 4.32Å; Y117-L152 HydrophobicContact CE2-CD1 4Å; Y117-L152 HydrophobicContact CE2-CG 4.4Å; Y117-L152 HydrophobicContact CG-CD1 4.41Å |
| 118 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.8 | -50.4 | -178.1 | 177.5 | 67.2 | 0 | 0 | 0 | 111.9 | L60 L63 I64 A67 F68 N95 L114 P115 A116 A120 L121 | L60-L118 HydrophobicContact CD1-CD1 3.86Å; L60-L118 HydrophobicContact CD1-CG 4.17Å; L60-L118 WeakPolarHBondContact CD1-O 3.45Å; L60-L118 HydrophobicContact CG-CD1 4.16Å; L60-L118 HydrophobicContact CG-CG 4.18Å; L63-L118 HydrophobicContact CB-CD1 4.08Å; I64-L118 HydrophobicContact CG1-CD2 3.56Å; A67-L118 HydrophobicContact CB-CD1 3.93Å; F68-L118 HydrophobicContact CE1-CB 4.19Å; F68-L118 HydrophobicContact CE1-CD2 4.01Å; N95-L118 HydrophobicContact CB-CD2 4.43Å; N95-L118 WeakPolarHBondContact OD1-CD2 3.4Å; L114-L118 PolarHBondContact O-N 2.81Å; P115-L118 PolarHBondContact O-N 3.47Å; A116-L118 PolarHBondContact O-N 2.94Å; L118-A120 VanDerWaalsContact C-N 3.33Å; L118-A120 PolarHBondContact O-N 3.3Å; L118-L121 HydrophobicContact CD1-CD1 4.26Å; L118-L121 VanDerWaalsContact O-CB 3.29Å; L118-L121 WeakPolarHBondContact O-CB 3.46Å; L118-L121 PolarHBondContact O-N 3.43Å |
| 119 | N | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -73.4 | -26.3 | -177 | -70.4 | -90.6 | 0 | 0 | 0 | 112.2 | N95 P115 A116 Y117 L121 T122 V126 Y205 K386 | N95-N119 PolarHBondContact OD1-ND2 2.95Å; P115-N119 WeakPolarHBondContact O-CB 3.41Å; P115-N119 PolarHBondContact O-N 2.89Å; P115-N119 PolarHBondContact O-ND2 3.3Å; A116-N119 PolarHBondContact O-N 2.73Å; Y117-N119 PolarHBondContact O-N 2.96Å; N119-L121 PolarHBondContact O-N 3.38Å; N119-T122 WeakPolarHBondContact O-CG2 3.46Å; N119-T122 PolarHBondContact O-N 2.79Å; N119-T122 PolarHBondContact O-OG1 3.49Å; N119-V126 HydrophobicContact CB-CG2 3.81Å; N119-Y205 HydrophobicContact CB-CD1 3.44Å; N119-Y205 VanDerWaalsContact CB-CD1 3.44Å; N119-Y205 HydrophobicContact CB-CE1 3.99Å; N119-Y205 HydrophobicContact CB-CG 4.05Å; N119-K386 WeakPolarHBondContact OD1-CD 3.43Å; N119-K386 WeakPolarHBondContact OD1-CE 3.28Å; N119-K386 PolarHBondContact OD1-NZ 2.85Å |
| 120 | A | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.6 | -21 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R51 A116 Y117 L118 T122 G123 V126 L152 D173 I174 | R51-A120 PolarHBondContact NH2-O 2.85Å; A116-A120 WeakPolarHBondContact O-CB 3.49Å; A116-A120 PolarHBondContact O-N 3.43Å; Y117-A120 WeakPolarHBondContact O-CB 3.37Å; Y117-A120 PolarHBondContact O-N 2.86Å; L118-A120 VanDerWaalsContact C-N 3.33Å; L118-A120 PolarHBondContact O-N 3.3Å; A120-T122 PolarHBondContact O-N 3.46Å; A120-T122 VanDerWaalsContact O-N 3.16Å; A120-G123 PolarHBondContact O-N 3.11Å; A120-G123 VanDerWaalsContact O-N 3.14Å; A120-V126 HydrophobicContact CB-CG2 4.03Å; A120-L152 HydrophobicContact CB-CD1 3.86Å; A120-D173 HydrophobicContact CB-CB 4.23Å; A120-I174 HydrophobicContact CB-CD1 4.36Å; A120-I174 HydrophobicContact CB-CG1 3.96Å |
| 121 | L | 98.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 11.8 Ų | 11.8 | 2% | 0.021 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.1 | 174 | -62.9 | 172.5 | 0 | 0 | 0 | 112.8 | T47 F50 R51 L54 L63 A67 Y117 L118 N119 G123 | T47-L121 HydrophobicContact CG2-CD2 3.96Å; F50-L121 HydrophobicContact CB-CD1 3.85Å; F50-L121 HydrophobicContact CB-CD2 4.11Å; F50-L121 HydrophobicContact CD2-CD1 4Å; F50-L121 HydrophobicContact CD2-CD2 4.4Å; F50-L121 HydrophobicContact CG-CD1 4.28Å; R51-L121 HydrophobicContact CG-CD2 4.5Å; R51-L121 WeakPolarHBondContact CG-O 3.36Å; L54-L121 HydrophobicContact CD1-CB 3.75Å; L63-L121 HydrophobicContact CD1-CD1 4.41Å; A67-L121 HydrophobicContact CB-CD1 4.48Å; Y117-L121 HydrophobicContact CE1-CD1 4.11Å; Y117-L121 HydrophobicContact CE1-CD2 4.25Å; Y117-L121 HydrophobicContact CE1-CG 4.4Å; Y117-L121 HydrophobicContact CE2-CD2 4.36Å; Y117-L121 WeakPolarHBondContact O-CG 3.47Å; Y117-L121 PolarHBondContact O-N 2.68Å; L118-L121 HydrophobicContact CD1-CD1 4.26Å; L118-L121 VanDerWaalsContact O-CB 3.29Å; L118-L121 WeakPolarHBondContact O-CB 3.46Å; L118-L121 PolarHBondContact O-N 3.43Å; N119-L121 PolarHBondContact O-N 3.38Å; L121-G123 PolarHBondContact O-N 3.45Å |
| 122 | T | 96.5 | Very high | 96.6 | Very high | 43 Ų | 43 | 13 Ų | 13 | 26% | 0.264 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -13.6 | 178 | 66.8 | 0 | 0 | 0 | 0 | 113.9 | L60 N119 A120 K124 | L60-T122 HydrophobicContact CD1-CG2 4.12Å; L60-T122 HydrophobicContact CD2-CG2 3.92Å; N119-T122 WeakPolarHBondContact O-CG2 3.46Å; N119-T122 PolarHBondContact O-N 2.79Å; N119-T122 PolarHBondContact O-OG1 3.49Å; A120-T122 PolarHBondContact O-N 3.46Å; A120-T122 VanDerWaalsContact O-N 3.16Å; T122-K124 PolarHBondContact O-N 3.42Å; T122-K124 PolarHBondContact OG1-N 2.86Å |
| 123 | G | 95.7 | Very high | 96.3 | Very high | 44 Ų | 44 | 15.9 Ų | 15.9 | 45% | 0.454 | 9% | 0.093 | S | C | . | . | S | Bend | trans | 70.8 | 5.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A120 L121 | A120-G123 PolarHBondContact O-N 3.11Å; A120-G123 VanDerWaalsContact O-N 3.14Å; L121-G123 PolarHBondContact O-N 3.45Å |
| 124 | K | 96.5 | Very high | 95.8 | Very high | 111 Ų | 111 | 19.8 Ų | 19.8 | 48% | 0.483 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -90.5 | -0.4 | -178.6 | -63.6 | 177.1 | 178.3 | 178.6 | 0 | 114.3 | T122 H204 | T122-K124 PolarHBondContact O-N 3.42Å; T122-K124 PolarHBondContact OG1-N 2.86Å; K124-H204 HydrophobicContact CB-CB 3.83Å |
| 125 | G | 96.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 20 Ų | 20 | 5% | 0.052 | 11% | 0.11 | C | C | . | . | trans | 82 | 152 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | D173 | G125-D173 CarbonylContact C-O 3.56Å; G125-D173 WeakPolarHBondContact CA-O 3.46Å | ||
| 126 | V | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 126.6 | 173.9 | 175.7 | 0 | 0 | 0 | 0 | 109.3 | A116 N119 A120 V128 D173 I174 T175 Y205 | A116-V126 HydrophobicContact CB-CG1 4.28Å; N119-V126 HydrophobicContact CB-CG2 3.81Å; A120-V126 HydrophobicContact CB-CG2 4.03Å; V126-V128 HydrophobicContact CG1-CG2 4.39Å; V126-D173 PolarHBondContact N-O 2.95Å; V126-I174 HydrophobicContact CB-CG1 4.37Å; V126-I174 CarbonylContact O-C 3.58Å; V126-I174 WeakPolarHBondContact O-CA 3.41Å; V126-T175 PolarHBondContact O-N 3.15Å; V126-Y205 HydrophobicContact CB-CD1 4.3Å; V126-Y205 HydrophobicContact CG1-CD1 3.57Å; V126-Y205 HydrophobicContact CG1-CE1 4.1Å; V126-Y205 HydrophobicContact CG2-CD1 3.92Å |
| 127 | H | 98.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 23.9 Ų | 23.9 | 3% | 0.032 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 113.6 | 173.2 | -63.2 | 177 | 0 | 0 | 0 | 109.4 | Y170 T175 Y182 Y205 A206 L207 Y384 | H127-Y170 AromaticContact CE1-CD1 3.94Å; H127-Y170 AromaticContact CE1-CE1 3.72Å; H127-Y170 AromaticContact NE2-CD1 3.59Å; H127-Y170 AromaticContact NE2-CE1 3.8Å; H127-T175 WeakPolarHBondContact CA-O 3.26Å; H127-Y182 HydrophobicContact CB-CE1 4.09Å; H127-Y182 HydrophobicContact CB-CE2 4.29Å; H127-Y182 AromaticContact CG-CE1 3.76Å; H127-Y182 AromaticContact ND1-CD1 3.88Å; H127-Y182 AromaticContact ND1-CE1 3.73Å; H127-Y205 PolarHBondContact N-O 3.21Å; H127-A206 WeakPolarHBondContact O-CA 3.16Å; H127-L207 PolarHBondContact O-N 2.63Å; H127-Y384 HydrophobicContact CB-CE1 4.34Å; H127-Y384 AromaticContact ND1-CE1 3.61Å; H127-Y384 AromaticContact ND1-CZ 3.65Å; H127-Y384 PolarHBondContact ND1-OH 3.05Å |
| 128 | V | 98.5 | Very high | 94.6 | Very high | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.036 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 119.5 | 167.2 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | V126 I174 T175 Y176 G177 Y182 L207 | V126-V128 HydrophobicContact CG1-CG2 4.39Å; V128-I174 HydrophobicContact CG2-CG2 3.87Å; V128-T175 PolarHBondContact N-O 3.15Å; V128-Y176 HydrophobicContact CB-CD1 3.8Å; V128-Y176 HydrophobicContact CB-CD2 4.45Å; V128-Y176 HydrophobicContact CB-CE1 3.79Å; V128-Y176 HydrophobicContact CB-CE2 4.43Å; V128-Y176 HydrophobicContact CB-CG 4.14Å; V128-Y176 HydrophobicContact CG1-CD1 3.74Å; V128-Y176 HydrophobicContact CG1-CE1 3.5Å; V128-Y176 VanDerWaalsContact CG1-CE1 3.5Å; V128-Y176 HydrophobicContact CG2-CE1 4.2Å; V128-Y176 HydrophobicContact CG2-CE2 4.28Å; V128-Y176 WeakPolarHBondContact O-CA 2.92Å; V128-G177 PolarHBondContact O-N 2.89Å; V128-G177 VanDerWaalsContact O-N 3.12Å; V128-Y182 PolarHBondContact O-OH 3.23Å; V128-L207 WeakPolarHBondContact CA-O 3.11Å |
| 129 | V | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 125.2 | -172.9 | -169.8 | 0 | 0 | 0 | 0 | 109.2 | G177 N179 Y182 L207 V208 D209 I214 F381 | V129-G177 WeakPolarHBondContact CA-O 3.38Å; V129-N179 HydrophobicContact CG1-CB 3.76Å; V129-Y182 HydrophobicContact CB-CE2 4.44Å; V129-Y182 HydrophobicContact CG1-CD2 4.25Å; V129-Y182 HydrophobicContact CG2-CD2 3.97Å; V129-Y182 HydrophobicContact CG2-CE2 3.9Å; V129-L207 PolarHBondContact N-O 3.17Å; V129-V208 HydrophobicContact CB-CB 4.45Å; V129-V208 HydrophobicContact CB-CG1 4.33Å; V129-V208 HydrophobicContact CB-CG2 4.22Å; V129-V208 HydrophobicContact CG2-CG2 4.26Å; V129-D209 PolarHBondContact O-N 3.37Å; V129-I214 HydrophobicContact CG1-CD1 3.97Å; V129-F381 HydrophobicContact CG1-CE1 4.42Å; V129-F381 HydrophobicContact CG1-CZ 4.03Å; V129-F381 HydrophobicContact CG2-CE1 4.05Å; V129-F381 HydrophobicContact CG2-CZ 4.47Å |
| 130 | T | 93.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 168.6 | 175.1 | 72.6 | 0 | 0 | 0 | 0 | 110.7 | N132 L135 A136 G177 T178 N179 | T130-N132 PolarHBondContact OG1-O 3.37Å; T130-N132 VanDerWaalsContact OG1-O 3.12Å; T130-L135 HydrophobicContact CG2-CB 4.49Å; T130-A136 HydrophobicContact CG2-CB 4.47Å; T130-A136 WeakPolarHBondContact OG1-CA 3.38Å; T130-A136 WeakPolarHBondContact OG1-CB 3.47Å; T130-A136 PolarHBondContact OG1-N 2.91Å; T130-A136 VanDerWaalsContact OG1-N 3.16Å; T130-G177 PolarHBondContact N-O 2.94Å; T130-T178 WeakPolarHBondContact O-CA 3.34Å; T130-N179 PolarHBondContact O-N 2.88Å; T130-N179 PolarHBondContact O-OD1 3.32Å |
| 131 | V | 86.4 | Confident | 94.2 | Very high | 21 Ų | 21 | 30.9 Ų | 30.9 | 13% | 0.127 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -77.5 | -27.8 | -176.3 | -176.9 | 0 | 0 | 0 | 0 | 112.6 | E210 I214 E218 | V131-E210 HydrophobicContact CG2-CB 3.9Å; V131-E210 HydrophobicContact CG2-CG 4.44Å; V131-I214 HydrophobicContact CG2-CD1 4.13Å; V131-I214 HydrophobicContact CG2-CG1 4.17Å; V131-E218 WeakPolarHBondContact CG1-OE1 3.33Å |
| 132 | N | 86.9 | Confident | 94 | Very high | 25 Ų | 25 | 34.9 Ų | 34.9 | 13% | 0.134 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -151.2 | 161.2 | -177.8 | 65.3 | 58.8 | 0 | 0 | 0 | 112.5 | T130 Y134 L135 A136 | T130-N132 PolarHBondContact OG1-O 3.37Å; T130-N132 VanDerWaalsContact OG1-O 3.12Å; N132-Y134 VanDerWaalsContact C-N 3.31Å; N132-Y134 PolarHBondContact O-N 3.19Å; N132-Y134 PolarHBondContact OD1-N 3.36Å; N132-L135 PolarHBondContact O-N 3.43Å; N132-L135 VanDerWaalsContact O-N 3.12Å; N132-L135 VanDerWaalsContact OD1-CG 3.31Å; N132-L135 WeakPolarHBondContact OD1-CG 3.16Å; N132-L135 PolarHBondContact OD1-N 3.14Å; N132-A136 PolarHBondContact O-N 2.96Å |
| 133 | D | 90.5 | Very high | 94.1 | Very high | 64 Ų | 64 | 33.2 Ų | 33.2 | 34% | 0.342 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.4 | -39.7 | -173.5 | -61.9 | -18.1 | 0 | 0 | 0 | 112.6 | L135 A136 Q137 L158 P159 T178 | D133-L135 PolarHBondContact O-N 2.86Å; D133-A136 PolarHBondContact O-N 3.28Å; D133-Q137 WeakPolarHBondContact O-CB 3.37Å; D133-Q137 PolarHBondContact O-N 3.42Å; D133-L158 HydrophobicContact CB-CD2 4.01Å; D133-P159 WeakPolarHBondContact OD1-CD 3.49Å; D133-P159 WeakPolarHBondContact OD2-CD 3.35Å; D133-P159 WeakPolarHBondContact OD2-CG 3.47Å; D133-T178 WeakPolarHBondContact OD1-CG2 3.09Å |
| 134 | Y | 87.8 | Confident | 94.2 | Very high | 82 Ų | 82 | 34.3 Ų | 34.3 | 32% | 0.322 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 177.4 | 169.3 | -103 | 0 | 0 | 0 | 111.4 | N132 R138 A488 | N132-Y134 VanDerWaalsContact C-N 3.31Å; N132-Y134 PolarHBondContact O-N 3.19Å; N132-Y134 PolarHBondContact OD1-N 3.36Å; Y134-R138 WeakPolarHBondContact O-CB 3.46Å; Y134-R138 PolarHBondContact O-N 2.82Å; Y134-A488 HydrophobicContact CE1-CB 3.98Å |
| 135 | L | 89.5 | Confident | 94.3 | Very high | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.7 | -39.9 | 177.1 | -67.2 | 176.3 | 0 | 0 | 0 | 111.6 | T130 N132 D133 R138 D139 | T130-L135 HydrophobicContact CG2-CB 4.49Å; N132-L135 PolarHBondContact O-N 3.43Å; N132-L135 VanDerWaalsContact O-N 3.12Å; N132-L135 VanDerWaalsContact OD1-CG 3.31Å; N132-L135 WeakPolarHBondContact OD1-CG 3.16Å; N132-L135 PolarHBondContact OD1-N 3.14Å; D133-L135 PolarHBondContact O-N 2.86Å; L135-R138 VanDerWaalsContact CD2-CZ 3.42Å; L135-D139 VanDerWaalsContact O-CB 3.24Å; L135-D139 WeakPolarHBondContact O-CB 3.3Å; L135-D139 VanDerWaalsContact O-CG 3.31Å; L135-D139 PolarHBondContact O-N 3.41Å |
| 136 | A | 93.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58 | -52.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T130 N132 D133 A140 L158 | T130-A136 HydrophobicContact CG2-CB 4.47Å; T130-A136 WeakPolarHBondContact OG1-CA 3.38Å; T130-A136 WeakPolarHBondContact OG1-CB 3.47Å; T130-A136 PolarHBondContact OG1-N 2.91Å; T130-A136 VanDerWaalsContact OG1-N 3.16Å; N132-A136 PolarHBondContact O-N 2.96Å; D133-A136 PolarHBondContact O-N 3.28Å; A136-A140 VanDerWaalsContact O-CB 3.23Å; A136-A140 WeakPolarHBondContact O-CB 3.34Å; A136-A140 PolarHBondContact O-N 3.44Å; A136-L158 HydrophobicContact CB-CD2 4.29Å |
| 137 | Q | 94.8 | Very high | 94.3 | Very high | 81 Ų | 81 | 31.8 Ų | 31.8 | 38% | 0.379 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.4 | -51.1 | -179.8 | -178.5 | 173.8 | 5.7 | 0 | 0 | 111.5 | D133 D139 A140 E141 | D133-Q137 WeakPolarHBondContact O-CB 3.37Å; D133-Q137 PolarHBondContact O-N 3.42Å; Q137-D139 PolarHBondContact O-N 3.27Å; Q137-A140 PolarHBondContact O-N 3.39Å; Q137-E141 HydrophobicContact CG-CG 4.35Å; Q137-E141 VanDerWaalsContact CG-OE1 3.25Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.49Å; Q137-E141 PolarHBondContact NE2-OE1 3.43Å; Q137-E141 WeakPolarHBondContact O-CB 3.31Å; Q137-E141 VanDerWaalsContact O-CG 3.32Å; Q137-E141 WeakPolarHBondContact O-CG 3.39Å; Q137-E141 PolarHBondContact O-N 3.38Å |
| 138 | R | 91.1 | Very high | 94.3 | Very high | 44 Ų | 44 | 35.7 Ų | 35.7 | 17% | 0.166 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.5 | -48.3 | -179.7 | -177.3 | -158.1 | 71.9 | -179.6 | 1.8 | 111.7 | Y134 L135 E141 N142 G510 | Y134-R138 WeakPolarHBondContact O-CB 3.46Å; Y134-R138 PolarHBondContact O-N 2.82Å; L135-R138 VanDerWaalsContact CD2-CZ 3.42Å; R138-E141 PolarHBondContact O-N 3.16Å; R138-N142 WeakPolarHBondContact O-CB 3.42Å; R138-N142 PolarHBondContact O-N 3.41Å; R138-N142 PolarHBondContact O-ND2 2.89Å; R138-G510 PolarHBondContact NH1-O 3.26Å; R138-G510 PolarHBondContact NH2-O 3.44Å |
| 139 | D | 94.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.032 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.8 | -33.8 | -176.2 | -70.7 | -3.6 | 0 | 0 | 0 | 111.7 | T109 L135 Q137 N143 Y176 | T109-D139 HydrophobicContact CG2-CB 4.33Å; L135-D139 VanDerWaalsContact O-CB 3.24Å; L135-D139 WeakPolarHBondContact O-CB 3.3Å; L135-D139 VanDerWaalsContact O-CG 3.31Å; L135-D139 PolarHBondContact O-N 3.41Å; Q137-D139 PolarHBondContact O-N 3.27Å; D139-N143 VanDerWaalsContact O-CB 3.27Å; D139-N143 WeakPolarHBondContact O-CB 3.37Å; D139-N143 PolarHBondContact O-N 2.71Å; D139-N143 PolarHBondContact O-ND2 3.06Å; D139-Y176 HydrophobicContact CB-CD1 4.09Å; D139-Y176 HydrophobicContact CB-CE1 3.8Å |
| 140 | A | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.3 | -50.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A136 Q137 N143 R144 V154 I156 Y176 | A136-A140 VanDerWaalsContact O-CB 3.23Å; A136-A140 WeakPolarHBondContact O-CB 3.34Å; A136-A140 PolarHBondContact O-N 3.44Å; Q137-A140 PolarHBondContact O-N 3.39Å; A140-N143 PolarHBondContact O-N 3.44Å; A140-R144 WeakPolarHBondContact O-CA 3.34Å; A140-R144 WeakPolarHBondContact O-CB 3.22Å; A140-R144 PolarHBondContact O-N 3.41Å; A140-V154 HydrophobicContact CB-CG1 4.24Å; A140-I156 HydrophobicContact CB-CD1 3.63Å; A140-I156 HydrophobicContact CB-CG1 3.58Å; A140-Y176 HydrophobicContact CB-CD1 4.18Å; A140-Y176 HydrophobicContact CB-CD2 3.68Å; A140-Y176 HydrophobicContact CB-CE2 4.37Å; A140-Y176 HydrophobicContact CB-CG 3.58Å |
| 141 | E | 96.1 | Very high | 94.6 | Very high | 98 Ų | 98 | 39.1 Ų | 39.1 | 46% | 0.458 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 179.3 | -72.7 | 173.2 | 180 | 0 | 0 | 111.7 | Q137 R138 P145 I156 | Q137-E141 HydrophobicContact CG-CG 4.35Å; Q137-E141 VanDerWaalsContact CG-OE1 3.25Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.49Å; Q137-E141 PolarHBondContact NE2-OE1 3.43Å; Q137-E141 WeakPolarHBondContact O-CB 3.31Å; Q137-E141 VanDerWaalsContact O-CG 3.32Å; Q137-E141 WeakPolarHBondContact O-CG 3.39Å; Q137-E141 PolarHBondContact O-N 3.38Å; R138-E141 PolarHBondContact O-N 3.16Å; E141-P145 VanDerWaalsContact O-CD 3.3Å; E141-P145 WeakPolarHBondContact O-CD 3.48Å; E141-I156 HydrophobicContact CG-CD1 4.34Å |
| 142 | N | 93.9 | Very high | 95.1 | Very high | 87 Ų | 87 | 38.3 Ų | 38.3 | 47% | 0.465 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65 | -40.4 | 177.6 | -74.9 | -16.2 | 0 | 0 | 0 | 112.5 | F79 R138 | F79-N142 VanDerWaalsContact CE1-O 3.27Å; F79-N142 WeakPolarHBondContact CE1-O 3.36Å; F79-N142 WeakPolarHBondContact CZ-O 3.44Å; R138-N142 WeakPolarHBondContact O-CB 3.42Å; R138-N142 PolarHBondContact O-N 3.41Å; R138-N142 PolarHBondContact O-ND2 2.89Å |
| 143 | N | 97.5 | Very high | 95.7 | Very high | 9 Ų | 9 | 40.5 Ų | 40.5 | 5% | 0.048 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -90.6 | -15.5 | -176.4 | -68.7 | -33.5 | 0 | 0 | 0 | 113.7 | D139 A140 L146 F147 Y176 | D139-N143 VanDerWaalsContact O-CB 3.27Å; D139-N143 WeakPolarHBondContact O-CB 3.37Å; D139-N143 PolarHBondContact O-N 2.71Å; D139-N143 PolarHBondContact O-ND2 3.06Å; A140-N143 PolarHBondContact O-N 3.44Å; N143-L146 WeakPolarHBondContact O-CB 3.45Å; N143-L146 PolarHBondContact O-N 3.09Å; N143-L146 VanDerWaalsContact O-N 3.1Å; N143-F147 HydrophobicContact CB-CD2 4.06Å; N143-F147 HydrophobicContact CB-CE2 3.74Å; N143-F147 WeakPolarHBondContact O-CD2 3.45Å; N143-F147 PolarHBondContact O-N 3.34Å; N143-Y176 PolarHBondContact ND2-OH 3.25Å |
| 144 | R | 98.3 | Very high | 96.1 | Very high | 67 Ų | 67 | 37.9 Ų | 37.9 | 25% | 0.253 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -51.5 | -48.8 | 179.4 | 173.3 | -177.5 | -59.9 | -74.7 | -3.3 | 113.1 | A140 L146 F147 E148 V154 | A140-R144 WeakPolarHBondContact O-CA 3.34Å; A140-R144 WeakPolarHBondContact O-CB 3.22Å; A140-R144 PolarHBondContact O-N 3.41Å; R144-L146 PolarHBondContact O-N 3.24Å; R144-F147 PolarHBondContact O-N 3.38Å; R144-E148 VanDerWaalsContact CD-OE1 3.25Å; R144-E148 WeakPolarHBondContact CD-OE1 3.41Å; R144-E148 HydrophobicContact CG-CG 3.98Å; R144-E148 WeakPolarHBondContact CG-OE1 3.4Å; R144-E148 IonicContact CZ-OE1 2.71Å; R144-E148 IonicContact NE-OE1 2.87Å; R144-E148 IonicContact NH1-OE1 3.57Å; R144-E148 PolarHBondContact NH1-OE1 2.96Å; R144-E148 WeakPolarHBondContact O-CB 3.38Å; R144-E148 PolarHBondContact O-N 3.16Å; R144-V154 HydrophobicContact CB-CB 4.49Å; R144-V154 VanDerWaalsContact CZ-O 3.26Å; R144-V154 PolarHBondContact NH1-O 3.02Å; R144-V154 PolarHBondContact NH2-O 2.99Å |
| 145 | P | 98 | Very high | 96.6 | Very high | 63 Ų | 63 | 34.2 Ų | 34.2 | 41% | 0.409 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -56 | -35.5 | 178.7 | -27.5 | 36.1 | 0 | 0 | 0 | 113.7 | V78 F79 E141 F149 | V78-P145 HydrophobicContact CG1-CB 3.65Å; F79-P145 HydrophobicContact CE1-CB 4.48Å; E141-P145 VanDerWaalsContact O-CD 3.3Å; E141-P145 WeakPolarHBondContact O-CD 3.48Å; P145-F149 WeakPolarHBondContact O-CB 3.42Å; P145-F149 PolarHBondContact O-N 3.46Å |
| 146 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70 | -47.8 | 178.4 | 173.9 | 67.6 | 0 | 0 | 0 | 111.8 | V71 A74 F79 T113 N143 R144 L150 | V71-L146 HydrophobicContact CG1-CD2 4.36Å; A74-L146 HydrophobicContact CB-CD1 3.55Å; F79-L146 HydrophobicContact CE2-CB 3.63Å; F79-L146 HydrophobicContact CE2-CD2 3.84Å; F79-L146 HydrophobicContact CE2-CG 4.23Å; F79-L146 HydrophobicContact CZ-CB 3.56Å; T113-L146 HydrophobicContact CG2-CD2 3.84Å; N143-L146 WeakPolarHBondContact O-CB 3.45Å; N143-L146 PolarHBondContact O-N 3.09Å; N143-L146 VanDerWaalsContact O-N 3.1Å; R144-L146 PolarHBondContact O-N 3.24Å; L146-L150 HydrophobicContact CD1-CD1 4.38Å; L146-L150 WeakPolarHBondContact O-CG 3.29Å; L146-L150 PolarHBondContact O-N 2.89Å |
| 147 | F | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.7 | -40.9 | -177.8 | -68.6 | -56.1 | 0 | 0 | 0 | 112 | T113 A116 N143 R144 L150 G151 L152 V154 I174 Y176 | T113-F147 HydrophobicContact CG2-CE2 4.46Å; T113-F147 HydrophobicContact CG2-CZ 4.03Å; A116-F147 HydrophobicContact CB-CE1 4.39Å; A116-F147 HydrophobicContact CB-CZ 4.04Å; N143-F147 HydrophobicContact CB-CD2 4.06Å; N143-F147 HydrophobicContact CB-CE2 3.74Å; N143-F147 WeakPolarHBondContact O-CD2 3.45Å; N143-F147 PolarHBondContact O-N 3.34Å; R144-F147 PolarHBondContact O-N 3.38Å; F147-L150 CarbonylContact O-C 3.58Å; F147-L150 WeakPolarHBondContact O-CA 3.16Å; F147-L150 PolarHBondContact O-N 3.38Å; F147-L150 VanDerWaalsContact O-N 3.11Å; F147-G151 PolarHBondContact O-N 3.01Å; F147-G151 VanDerWaalsContact O-N 3.13Å; F147-L152 CarbonylContact C-O 3.55Å; F147-L152 HydrophobicContact CB-CB 4.2Å; F147-L152 HydrophobicContact CD1-CD1 4.24Å; F147-L152 PolarHBondContact O-N 3.08Å; F147-V154 HydrophobicContact CB-CG2 3.63Å; F147-V154 HydrophobicContact CD2-CG2 3.71Å; F147-V154 HydrophobicContact CG-CG2 4.06Å; F147-I174 HydrophobicContact CD1-CD1 3.34Å; F147-I174 HydrophobicContact CD2-CD1 3.85Å; F147-I174 HydrophobicContact CE1-CD1 3.22Å; F147-I174 HydrophobicContact CE2-CD1 3.73Å; F147-I174 HydrophobicContact CG-CD1 3.65Å; F147-I174 HydrophobicContact CZ-CD1 3.41Å; F147-I174 VanDerWaalsContact CZ-CD1 3.41Å; F147-Y176 HydrophobicContact CE2-CE2 4.39Å |
| 148 | E | 98.3 | Very high | 97.1 | Very high | 89 Ų | 89 | 33.2 Ų | 33.2 | 42% | 0.416 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.5 | -35.5 | 176.9 | -70.6 | 178.9 | 178.9 | 0 | 0 | 112 | R144 L150 G151 L152 | R144-E148 VanDerWaalsContact CD-OE1 3.25Å; R144-E148 WeakPolarHBondContact CD-OE1 3.41Å; R144-E148 HydrophobicContact CG-CG 3.98Å; R144-E148 WeakPolarHBondContact CG-OE1 3.4Å; R144-E148 IonicContact CZ-OE1 2.71Å; R144-E148 IonicContact NE-OE1 2.87Å; R144-E148 IonicContact NH1-OE1 3.57Å; R144-E148 PolarHBondContact NH1-OE1 2.96Å; R144-E148 WeakPolarHBondContact O-CB 3.38Å; R144-E148 PolarHBondContact O-N 3.16Å; E148-L150 PolarHBondContact O-N 3.32Å; E148-G151 PolarHBondContact O-N 3.2Å; E148-L152 WeakPolarHBondContact CA-O 3.33Å |
| 149 | F | 98.2 | Very high | 97.1 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 20% | 0.197 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.4 | -39.3 | 169.4 | 176.7 | -87.3 | 0 | 0 | 0 | 111.5 | D40 L43 K44 A74 V78 P145 G151 | D40-F149 HydrophobicContact CB-CE2 3.78Å; D40-F149 HydrophobicContact CB-CZ 3.81Å; L43-F149 HydrophobicContact CD2-CE1 3.83Å; L43-F149 HydrophobicContact CD2-CZ 4.3Å; L43-F149 HydrophobicContact CG-CE1 4.33Å; K44-F149 WeakPolarHBondContact CB-O 3.32Å; K44-F149 WeakPolarHBondContact CG-O 3.44Å; A74-F149 HydrophobicContact CB-CD1 3.73Å; A74-F149 HydrophobicContact CB-CE1 3.78Å; V78-F149 HydrophobicContact CG2-CB 3.9Å; V78-F149 HydrophobicContact CG2-CD1 4.19Å; V78-F149 HydrophobicContact CG2-CD2 3.96Å; V78-F149 HydrophobicContact CG2-CG 3.75Å; P145-F149 WeakPolarHBondContact O-CB 3.42Å; P145-F149 PolarHBondContact O-N 3.46Å; F149-G151 VanDerWaalsContact C-N 3.26Å; F149-G151 PolarHBondContact O-N 3Å |
| 150 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 6.1 | 175 | -67.6 | 173.8 | 0 | 0 | 0 | 114 | T47 V70 V71 A74 Y117 L146 F147 E148 | T47-L150 VanDerWaalsContact CB-O 3.31Å; T47-L150 WeakPolarHBondContact CB-O 3.33Å; T47-L150 PolarHBondContact OG1-O 2.95Å; V70-L150 HydrophobicContact CG1-CD2 3.51Å; V71-L150 HydrophobicContact CG2-CD1 3.96Å; A74-L150 HydrophobicContact CB-CD1 4.03Å; A74-L150 HydrophobicContact CB-CD2 3.72Å; A74-L150 HydrophobicContact CB-CG 3.89Å; Y117-L150 HydrophobicContact CD2-CB 4.3Å; Y117-L150 HydrophobicContact CD2-CD1 3.73Å; Y117-L150 HydrophobicContact CE2-CB 3.87Å; Y117-L150 HydrophobicContact CE2-CD1 3.8Å; Y117-L150 HydrophobicContact CE2-CG 4.32Å; Y117-L150 HydrophobicContact CG-CD1 4.42Å; L146-L150 HydrophobicContact CD1-CD1 4.38Å; L146-L150 WeakPolarHBondContact O-CG 3.29Å; L146-L150 PolarHBondContact O-N 2.89Å; F147-L150 CarbonylContact O-C 3.58Å; F147-L150 WeakPolarHBondContact O-CA 3.16Å; F147-L150 PolarHBondContact O-N 3.38Å; F147-L150 VanDerWaalsContact O-N 3.11Å; E148-L150 PolarHBondContact O-N 3.32Å |
| 151 | G | 97.6 | Very high | 96.6 | Very high | 35 Ų | 35 | 39.5 Ų | 39.5 | 36% | 0.361 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 20.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | F147 E148 F149 | F147-G151 PolarHBondContact O-N 3.01Å; F147-G151 VanDerWaalsContact O-N 3.13Å; E148-G151 PolarHBondContact O-N 3.2Å; F149-G151 VanDerWaalsContact C-N 3.26Å; F149-G151 PolarHBondContact O-N 3Å |
| 152 | L | 98.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | trans | -100.7 | 155.8 | 171.4 | -61.4 | -176.3 | 0 | 0 | 0 | 111.2 | T47 Y117 A120 F147 E148 D173 I174 | T47-L152 HydrophobicContact CG2-CD2 3.83Å; T47-L152 HydrophobicContact CG2-CG 4.48Å; Y117-L152 HydrophobicContact CD2-CD1 3.49Å; Y117-L152 VanDerWaalsContact CD2-CD1 3.49Å; Y117-L152 HydrophobicContact CD2-CG 4.32Å; Y117-L152 HydrophobicContact CE2-CD1 4Å; Y117-L152 HydrophobicContact CE2-CG 4.4Å; Y117-L152 HydrophobicContact CG-CD1 4.41Å; A120-L152 HydrophobicContact CB-CD1 3.86Å; F147-L152 CarbonylContact C-O 3.55Å; F147-L152 HydrophobicContact CB-CB 4.2Å; F147-L152 HydrophobicContact CD1-CD1 4.24Å; F147-L152 PolarHBondContact O-N 3.08Å; E148-L152 WeakPolarHBondContact CA-O 3.33Å; L152-D173 WeakPolarHBondContact CA-OD2 3.43Å; L152-D173 HydrophobicContact CB-CB 4.17Å; L152-D173 HydrophobicContact CD2-CB 4.16Å; L152-I174 HydrophobicContact CD1-CD1 4.19Å | ||
| 153 | T | 98.5 | Very high | 96.3 | Very high | 71 Ų | 71 | 36.2 Ų | 36.2 | 44% | 0.436 | 23% | 0.228 | S | C | . | . | trans | -99.9 | 144.1 | 176.6 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | A172 D173 I174 | T153-A172 WeakPolarHBondContact OG1-CA 3.44Å; T153-D173 PolarHBondContact N-OD2 2.94Å; T153-D173 PolarHBondContact O-N 3.49Å; T153-D173 PolarHBondContact OG1-N 2.67Å; T153-D173 PolarHBondContact OG1-OD2 2.92Å; T153-I174 PolarHBondContact O-N 3.44Å; T153-I174 VanDerWaalsContact O-N 3.15Å | ||
| 154 | V | 98.6 | Very high | 96.1 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.5 | 178.4 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | A140 R144 F147 I174 Y176 | A140-V154 HydrophobicContact CB-CG1 4.24Å; R144-V154 HydrophobicContact CB-CB 4.49Å; R144-V154 VanDerWaalsContact CZ-O 3.26Å; R144-V154 PolarHBondContact NH1-O 3.02Å; R144-V154 PolarHBondContact NH2-O 2.99Å; F147-V154 HydrophobicContact CB-CG2 3.63Å; F147-V154 HydrophobicContact CD2-CG2 3.71Å; F147-V154 HydrophobicContact CG-CG2 4.06Å; V154-I174 CarbonylContact C-O 3.56Å; V154-I174 VanDerWaalsContact CA-O 3.31Å; V154-I174 WeakPolarHBondContact CA-O 3.3Å; V154-Y176 HydrophobicContact CG1-CD2 3.85Å; V154-Y176 HydrophobicContact CG1-CE2 4.02Å |
| 155 | G | 98 | Very high | 96 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 6% | 0.062 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 154.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I174 T175 Y176 | G155-I174 PolarHBondContact N-O 2.75Å; G155-T175 WeakPolarHBondContact O-CA 3.28Å; G155-Y176 PolarHBondContact O-N 2.79Å |
| 156 | I | 98 | Very high | 95.9 | Very high | 31 Ų | 31 | 35.3 Ų | 35.3 | 16% | 0.159 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 123.7 | 173.8 | -45.5 | -178 | 0 | 0 | 0 | 107.3 | A140 E141 L158 M161 A169 Y176 | A140-I156 HydrophobicContact CB-CD1 3.63Å; A140-I156 HydrophobicContact CB-CG1 3.58Å; E141-I156 HydrophobicContact CG-CD1 4.34Å; I156-L158 HydrophobicContact CG2-CD1 4.19Å; I156-L158 HydrophobicContact CG2-CD2 3.95Å; I156-L158 HydrophobicContact CG2-CG 3.82Å; I156-M161 WeakPolarHBondContact O-CE 3.17Å; I156-M161 VanDerWaalsContact O-SD 3.41Å; I156-A169 WeakPolarHBondContact O-CB 3.43Å; I156-Y176 CarbonylContact C-O 3.48Å; I156-Y176 WeakPolarHBondContact CA-O 3.23Å |
| 157 | N | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 112 | 177.2 | -177.5 | 39.8 | 0 | 0 | 0 | 109.6 | Y170 T175 Y176 G177 E181 D185 | N157-Y170 PolarHBondContact ND2-OH 2.89Å; N157-T175 HydrophobicContact CB-CG2 4.08Å; N157-Y176 PolarHBondContact N-O 3.05Å; N157-G177 WeakPolarHBondContact O-CA 3.21Å; N157-E181 VanDerWaalsContact ND2-CG 3.34Å; N157-E181 WeakPolarHBondContact ND2-CG 3.2Å; N157-D185 PolarHBondContact ND2-OD2 3.46Å; N157-D185 PolarHBondContact OD1-OD2 2.96Å |
| 158 | L | 94.9 | Very high | 95.8 | Very high | 35 Ų | 35 | 47 Ų | 47 | 18% | 0.183 | 28% | 0.283 | C | S | . | . | trans | -124.4 | 156.1 | -178.5 | -58.6 | 178.9 | 0 | 0 | 0 | 110.6 | D133 A136 I156 M161 | D133-L158 HydrophobicContact CB-CD2 4.01Å; A136-L158 HydrophobicContact CB-CD2 4.29Å; I156-L158 HydrophobicContact CG2-CD1 4.19Å; I156-L158 HydrophobicContact CG2-CD2 3.95Å; I156-L158 HydrophobicContact CG2-CG 3.82Å; L158-M161 HydrophobicContact CB-CG 4.33Å; L158-M161 HydrophobicContact CB-SD 4Å; L158-M161 PolarHBondContact N-SD 2.86Å; L158-M161 WeakPolarHBondContact O-CG 3.27Å | ||
| 159 | P | 90.4 | Very high | 95.7 | Very high | 62 Ų | 62 | 43 Ų | 43 | 40% | 0.403 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 147.5 | 173.8 | -22.7 | 32.3 | 0 | 0 | 0 | 112.7 | D133 M161 E181 | D133-P159 WeakPolarHBondContact OD1-CD 3.49Å; D133-P159 WeakPolarHBondContact OD2-CD 3.35Å; D133-P159 WeakPolarHBondContact OD2-CG 3.47Å; P159-M161 PolarHBondContact O-N 3.07Å; P159-E181 WeakPolarHBondContact CA-OE2 3.35Å; P159-E181 WeakPolarHBondContact CG-OE2 3.25Å |
| 160 | G | 88.8 | Confident | 95.7 | Very high | 73 Ų | 73 | 41 Ų | 41 | 75% | 0.753 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 0.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 161 | M | 92.6 | Very high | 95.7 | Very high | 46 Ų | 46 | 43.5 Ų | 43.5 | 23% | 0.227 | 28% | 0.277 | C | S | . | . | trans | -65.6 | 139.6 | 172.4 | -72.9 | 178.4 | 64.6 | 0 | 0 | 111.4 | I156 L158 P159 A165 K166 | I156-M161 WeakPolarHBondContact O-CE 3.17Å; I156-M161 VanDerWaalsContact O-SD 3.41Å; L158-M161 HydrophobicContact CB-CG 4.33Å; L158-M161 HydrophobicContact CB-SD 4Å; L158-M161 PolarHBondContact N-SD 2.86Å; L158-M161 WeakPolarHBondContact O-CG 3.27Å; P159-M161 PolarHBondContact O-N 3.07Å; M161-A165 HydrophobicContact CE-CB 3.7Å; M161-K166 HydrophobicContact CB-CD 4.46Å; M161-K166 HydrophobicContact CB-CG 3.76Å | ||
| 162 | P | 92.2 | Very high | 95.7 | Very high | 81 Ų | 81 | 42.1 Ų | 42.1 | 53% | 0.526 | 26% | 0.263 | S | S | . | . | trans | -67.3 | 148.9 | 175 | 30 | -35.2 | 0 | 0 | 0 | 110.7 | P164 A165 K166 | P162-P164 VanDerWaalsContact C-CD 3.47Å; P162-A165 HydrophobicContact CG-CB 3.91Å; P162-A165 WeakPolarHBondContact O-CB 3.43Å; P162-A165 PolarHBondContact O-N 3.46Å; P162-K166 PolarHBondContact O-N 2.99Å; P162-K166 VanDerWaalsContact O-N 3.14Å | ||
| 163 | A | 90.8 | Very high | 95.7 | Very high | 35 Ų | 35 | 43 Ų | 43 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -52.4 | -40.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A165 K166 R167 V199 | A163-A165 PolarHBondContact O-N 3Å; A163-K166 PolarHBondContact O-N 3.09Å; A163-R167 PolarHBondContact O-N 3.07Å; A163-V199 HydrophobicContact CB-CG1 4.4Å |
| 164 | P | 93.7 | Very high | 95.7 | Very high | 80 Ų | 80 | 39.6 Ų | 39.6 | 52% | 0.519 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.8 | -39.5 | 174.8 | -25.1 | 35.8 | 0 | 0 | 0 | 114 | P162 R167 E168 | P162-P164 VanDerWaalsContact C-CD 3.47Å; P164-R167 PolarHBondContact O-N 3.42Å; P164-E168 PolarHBondContact O-N 3.31Å |
| 165 | A | 95.9 | Very high | 95.7 | Very high | 29 Ų | 29 | 39.2 Ų | 39.2 | 24% | 0.24 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70 | -35 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | M161 P162 A163 E168 A169 | M161-A165 HydrophobicContact CE-CB 3.7Å; P162-A165 HydrophobicContact CG-CB 3.91Å; P162-A165 WeakPolarHBondContact O-CB 3.43Å; P162-A165 PolarHBondContact O-N 3.46Å; A163-A165 PolarHBondContact O-N 3Å; A165-E168 PolarHBondContact O-N 3.31Å; A165-A169 PolarHBondContact O-N 3.38Å |
| 166 | K | 96.8 | Very high | 95.7 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.5 | -46 | 172 | -70.1 | -170.1 | 165.9 | -170.2 | 0 | 112 | M161 P162 A163 E168 A169 Y170 E181 D185 R188 V199 | M161-K166 HydrophobicContact CB-CD 4.46Å; M161-K166 HydrophobicContact CB-CG 3.76Å; P162-K166 PolarHBondContact O-N 2.99Å; P162-K166 VanDerWaalsContact O-N 3.14Å; A163-K166 PolarHBondContact O-N 3.09Å; K166-E168 VanDerWaalsContact C-N 3.27Å; K166-E168 PolarHBondContact O-N 2.99Å; K166-A169 WeakPolarHBondContact O-CB 3.2Å; K166-A169 PolarHBondContact O-N 2.98Å; K166-Y170 VanDerWaalsContact O-CD2 3.23Å; K166-Y170 WeakPolarHBondContact O-CD2 3.44Å; K166-Y170 PolarHBondContact O-N 2.94Å; K166-E181 IonicContact NZ-OE1 2.69Å; K166-E181 PolarHBondContact NZ-OE1 2.96Å; K166-D185 IonicContact NZ-OD1 3.21Å; K166-D185 PolarHBondContact NZ-OD1 3.43Å; K166-D185 IonicContact NZ-OD2 3.83Å; K166-R188 VanDerWaalsContact NZ-NH2 3.13Å; K166-V199 HydrophobicContact CB-CB 4Å; K166-V199 HydrophobicContact CB-CG1 3.94Å; K166-V199 HydrophobicContact CB-CG2 4.39Å |
| 167 | R | 96.6 | Very high | 95.7 | Very high | 97 Ų | 97 | 37.6 Ų | 37.6 | 37% | 0.366 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -54.8 | -43.8 | 174.2 | -85.3 | -176.4 | -108.4 | 118.2 | -9.5 | 111.7 | A163 P164 A171 E196 R198 V199 | A163-R167 PolarHBondContact O-N 3.07Å; P164-R167 PolarHBondContact O-N 3.42Å; R167-A171 WeakPolarHBondContact O-CB 3.32Å; R167-A171 PolarHBondContact O-N 2.98Å; R167-E196 PolarHBondContact NE-O 3.35Å; R167-E196 VanDerWaalsContact NE-O 3.11Å; R167-R198 WeakPolarHBondContact CD-O 3.43Å; R167-R198 WeakPolarHBondContact CG-O 3.34Å; R167-V199 HydrophobicContact CG-CB 4.16Å; R167-V199 HydrophobicContact CG-CG1 4.1Å |
| 168 | E | 97 | Very high | 95.6 | Very high | 149 Ų | 149 | 37.8 Ų | 37.8 | 70% | 0.696 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.1 | -42.8 | 174.8 | -172.6 | 177.7 | -173.6 | 0 | 0 | 112.2 | P164 A165 K166 A171 A172 | P164-E168 PolarHBondContact O-N 3.31Å; A165-E168 PolarHBondContact O-N 3.31Å; K166-E168 VanDerWaalsContact C-N 3.27Å; K166-E168 PolarHBondContact O-N 2.99Å; E168-A171 WeakPolarHBondContact O-CB 3.43Å; E168-A171 PolarHBondContact O-N 3.45Å; E168-A171 VanDerWaalsContact O-N 3.12Å; E168-A172 PolarHBondContact O-N 3.27Å |
| 169 | A | 97.9 | Very high | 95.5 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 5% | 0.05 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I156 A165 K166 A171 A172 T175 | I156-A169 WeakPolarHBondContact O-CB 3.43Å; A165-A169 PolarHBondContact O-N 3.38Å; K166-A169 WeakPolarHBondContact O-CB 3.2Å; K166-A169 PolarHBondContact O-N 2.98Å; A169-A171 VanDerWaalsContact C-N 3.28Å; A169-A172 WeakPolarHBondContact O-CB 3.4Å; A169-A172 PolarHBondContact O-N 3.33Å; A169-T175 HydrophobicContact CB-CG2 4.45Å; A169-T175 WeakPolarHBondContact O-CG2 3.35Å; A169-T175 PolarHBondContact O-OG1 3.24Å |
| 170 | Y | 98.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.2 | -23.6 | 173.2 | -76.6 | -73.7 | 0 | 0 | 0 | 112.5 | H127 N157 K166 A172 T175 Y182 D185 V199 Q200 R201 | H127-Y170 AromaticContact CE1-CD1 3.94Å; H127-Y170 AromaticContact CE1-CE1 3.72Å; H127-Y170 AromaticContact NE2-CD1 3.59Å; H127-Y170 AromaticContact NE2-CE1 3.8Å; N157-Y170 PolarHBondContact ND2-OH 2.89Å; K166-Y170 VanDerWaalsContact O-CD2 3.23Å; K166-Y170 WeakPolarHBondContact O-CD2 3.44Å; K166-Y170 PolarHBondContact O-N 2.94Å; Y170-A172 PolarHBondContact O-N 2.81Å; Y170-T175 HydrophobicContact CD1-CG2 4.45Å; Y170-Y182 AromaticContact CE1-CD1 3.7Å; Y170-Y182 HydrophobicContact CE1-CD1 3.7Å; Y170-Y182 AromaticContact CE1-CE1 3.56Å; Y170-Y182 HydrophobicContact CE1-CE1 3.56Å; Y170-Y182 AromaticContact CZ-CD1 3.87Å; Y170-Y182 AromaticContact CZ-CE1 3.97Å; Y170-Y182 VanDerWaalsContact OH-CD1 3.24Å; Y170-Y182 WeakPolarHBondContact OH-CD1 3.22Å; Y170-D185 HydrophobicContact CE2-CB 4.35Å; Y170-D185 VanDerWaalsContact CE2-OD2 3.27Å; Y170-D185 WeakPolarHBondContact CE2-OD2 3.35Å; Y170-D185 WeakPolarHBondContact OH-CB 3.47Å; Y170-D185 PolarHBondContact OH-OD2 2.78Å; Y170-V199 WeakPolarHBondContact CB-O 3.48Å; Y170-V199 HydrophobicContact CD2-CB 4.07Å; Y170-V199 HydrophobicContact CD2-CG2 3.95Å; Y170-V199 VanDerWaalsContact CD2-O 3.32Å; Y170-V199 WeakPolarHBondContact CD2-O 3.48Å; Y170-V199 HydrophobicContact CE2-CB 4.29Å; Y170-V199 HydrophobicContact CE2-CG2 3.68Å; Y170-Q200 HydrophobicContact CD1-CB 4.48Å; Y170-Q200 HydrophobicContact CD1-CG 4.25Å; Y170-Q200 HydrophobicContact CD2-CG 4.46Å; Y170-Q200 HydrophobicContact CE1-CB 4.38Å; Y170-Q200 HydrophobicContact CE1-CG 3.73Å; Y170-Q200 HydrophobicContact CE2-CG 4.02Å; Y170-Q200 PolarHBondContact OH-NE2 3.44Å; Y170-R201 VanDerWaalsContact O-CD 3.24Å; Y170-R201 WeakPolarHBondContact O-CD 3.26Å; Y170-R201 PolarHBondContact O-NE 2.86Å; Y170-R201 VanDerWaalsContact O-NE 3.17Å; Y170-R201 PolarHBondContact O-NH1 3.21Å |
| 171 | A | 97.1 | Very high | 95.9 | Very high | 52 Ų | 52 | 32.9 Ų | 32.9 | 43% | 0.43 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -71.2 | -14.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R167 E168 A169 R201 | R167-A171 WeakPolarHBondContact O-CB 3.32Å; R167-A171 PolarHBondContact O-N 2.98Å; E168-A171 WeakPolarHBondContact O-CB 3.43Å; E168-A171 PolarHBondContact O-N 3.45Å; E168-A171 VanDerWaalsContact O-N 3.12Å; A169-A171 VanDerWaalsContact C-N 3.28Å; A171-R201 VanDerWaalsContact C-CZ 3.43Å; A171-R201 PolarHBondContact O-NH1 3.44Å; A171-R201 VanDerWaalsContact O-NH1 3.13Å; A171-R201 PolarHBondContact O-NH2 3.22Å |
| 172 | A | 98.2 | Very high | 96.2 | Very high | 7 Ų | 7 | 30.7 Ų | 30.7 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -66.9 | 160.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | T153 E168 A169 Y170 I174 R201 | T153-A172 WeakPolarHBondContact OG1-CA 3.44Å; E168-A172 PolarHBondContact O-N 3.27Å; A169-A172 WeakPolarHBondContact O-CB 3.4Å; A169-A172 PolarHBondContact O-N 3.33Å; Y170-A172 PolarHBondContact O-N 2.81Å; A172-I174 VanDerWaalsContact C-N 3.29Å; A172-R201 PolarHBondContact O-NH1 2.82Å |
| 173 | D | 98.5 | Very high | 96.3 | Very high | 21 Ų | 21 | 26.8 Ų | 26.8 | 11% | 0.112 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -67 | -35.6 | 174.5 | -63.4 | -72.6 | 0 | 0 | 0 | 111.3 | R51 A120 G125 V126 L152 T153 | R51-D173 IonicContact CZ-OD1 2.77Å; R51-D173 IonicContact NH2-OD1 3.48Å; R51-D173 PolarHBondContact NH2-OD1 3.08Å; A120-D173 HydrophobicContact CB-CB 4.23Å; G125-D173 CarbonylContact C-O 3.56Å; G125-D173 WeakPolarHBondContact CA-O 3.46Å; V126-D173 PolarHBondContact N-O 2.95Å; L152-D173 WeakPolarHBondContact CA-OD2 3.43Å; L152-D173 HydrophobicContact CB-CB 4.17Å; L152-D173 HydrophobicContact CD2-CB 4.16Å; T153-D173 PolarHBondContact N-OD2 2.94Å; T153-D173 PolarHBondContact O-N 3.49Å; T153-D173 PolarHBondContact OG1-N 2.67Å; T153-D173 PolarHBondContact OG1-OD2 2.92Å |
| 174 | I | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 122.9 | 178.4 | -55.7 | 172.2 | 0 | 0 | 0 | 108.6 | A116 A120 V126 V128 F147 L152 T153 V154 G155 A172 Y176 | A116-I174 HydrophobicContact CB-CD1 4.15Å; A120-I174 HydrophobicContact CB-CD1 4.36Å; A120-I174 HydrophobicContact CB-CG1 3.96Å; V126-I174 HydrophobicContact CB-CG1 4.37Å; V126-I174 CarbonylContact O-C 3.58Å; V126-I174 WeakPolarHBondContact O-CA 3.41Å; V128-I174 HydrophobicContact CG2-CG2 3.87Å; F147-I174 HydrophobicContact CD1-CD1 3.34Å; F147-I174 HydrophobicContact CD2-CD1 3.85Å; F147-I174 HydrophobicContact CE1-CD1 3.22Å; F147-I174 HydrophobicContact CE2-CD1 3.73Å; F147-I174 HydrophobicContact CG-CD1 3.65Å; F147-I174 HydrophobicContact CZ-CD1 3.41Å; F147-I174 VanDerWaalsContact CZ-CD1 3.41Å; L152-I174 HydrophobicContact CD1-CD1 4.19Å; T153-I174 PolarHBondContact O-N 3.44Å; T153-I174 VanDerWaalsContact O-N 3.15Å; V154-I174 CarbonylContact C-O 3.56Å; V154-I174 VanDerWaalsContact CA-O 3.31Å; V154-I174 WeakPolarHBondContact CA-O 3.3Å; G155-I174 PolarHBondContact N-O 2.75Å; A172-I174 VanDerWaalsContact C-N 3.29Å; I174-Y176 HydrophobicContact CG2-CD2 4.12Å; I174-Y176 HydrophobicContact CG2-CE2 3.68Å |
| 175 | T | 98.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.2 | 177.1 | -48.2 | 0 | 0 | 0 | 0 | 108.8 | V126 H127 V128 G155 N157 A169 Y170 Y182 | V126-T175 PolarHBondContact O-N 3.15Å; H127-T175 WeakPolarHBondContact CA-O 3.26Å; V128-T175 PolarHBondContact N-O 3.15Å; G155-T175 WeakPolarHBondContact O-CA 3.28Å; N157-T175 HydrophobicContact CB-CG2 4.08Å; A169-T175 HydrophobicContact CB-CG2 4.45Å; A169-T175 WeakPolarHBondContact O-CG2 3.35Å; A169-T175 PolarHBondContact O-OG1 3.24Å; Y170-T175 HydrophobicContact CD1-CG2 4.45Å; T175-Y182 HydrophobicContact CG2-CE1 4.31Å; T175-Y182 PolarHBondContact O-OH 3.03Å |
| 176 | Y | 98.7 | Very high | 96.6 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 139.4 | 170.4 | -76.8 | -104.6 | 0 | 0 | 0 | 109.5 | V128 D139 A140 N143 F147 V154 G155 I156 N157 I174 | V128-Y176 HydrophobicContact CB-CD1 3.8Å; V128-Y176 HydrophobicContact CB-CD2 4.45Å; V128-Y176 HydrophobicContact CB-CE1 3.79Å; V128-Y176 HydrophobicContact CB-CE2 4.43Å; V128-Y176 HydrophobicContact CB-CG 4.14Å; V128-Y176 HydrophobicContact CG1-CD1 3.74Å; V128-Y176 HydrophobicContact CG1-CE1 3.5Å; V128-Y176 VanDerWaalsContact CG1-CE1 3.5Å; V128-Y176 HydrophobicContact CG2-CE1 4.2Å; V128-Y176 HydrophobicContact CG2-CE2 4.28Å; V128-Y176 WeakPolarHBondContact O-CA 2.92Å; D139-Y176 HydrophobicContact CB-CD1 4.09Å; D139-Y176 HydrophobicContact CB-CE1 3.8Å; A140-Y176 HydrophobicContact CB-CD1 4.18Å; A140-Y176 HydrophobicContact CB-CD2 3.68Å; A140-Y176 HydrophobicContact CB-CE2 4.37Å; A140-Y176 HydrophobicContact CB-CG 3.58Å; N143-Y176 PolarHBondContact ND2-OH 3.25Å; F147-Y176 HydrophobicContact CE2-CE2 4.39Å; V154-Y176 HydrophobicContact CG1-CD2 3.85Å; V154-Y176 HydrophobicContact CG1-CE2 4.02Å; G155-Y176 PolarHBondContact O-N 2.79Å; I156-Y176 CarbonylContact C-O 3.48Å; I156-Y176 WeakPolarHBondContact CA-O 3.23Å; N157-Y176 PolarHBondContact N-O 3.05Å; I174-Y176 HydrophobicContact CG2-CD2 4.12Å; I174-Y176 HydrophobicContact CG2-CE2 3.68Å |
| 177 | G | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.9 | 177.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V128 V129 T130 N157 Y182 | V128-G177 PolarHBondContact O-N 2.89Å; V128-G177 VanDerWaalsContact O-N 3.12Å; V129-G177 WeakPolarHBondContact CA-O 3.38Å; T130-G177 PolarHBondContact N-O 2.94Å; N157-G177 WeakPolarHBondContact O-CA 3.21Å; G177-Y182 PolarHBondContact N-OH 2.77Å |
| 178 | T | 94.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 3% | 0.025 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 154.8 | 177.2 | 61.1 | 0 | 0 | 0 | 0 | 111.7 | T130 D133 N180 E181 Y182 | T130-T178 WeakPolarHBondContact O-CA 3.34Å; D133-T178 WeakPolarHBondContact OD1-CG2 3.09Å; T178-N180 VanDerWaalsContact C-N 3.26Å; T178-N180 PolarHBondContact O-N 2.9Å; T178-E181 PolarHBondContact O-N 2.89Å; T178-E181 WeakPolarHBondContact OG1-CB 3.34Å; T178-E181 PolarHBondContact OG1-N 3.44Å; T178-Y182 WeakPolarHBondContact O-CD2 3.43Å; T178-Y182 PolarHBondContact O-N 3.14Å |
| 179 | N | 93.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -55.5 | -43.1 | 173.2 | 54.5 | -60.1 | 0 | 0 | 0 | 111.9 | V129 T130 G183 I214 E218 F377 F381 | V129-N179 HydrophobicContact CG1-CB 3.76Å; T130-N179 PolarHBondContact O-N 2.88Å; T130-N179 PolarHBondContact O-OD1 3.32Å; N179-G183 PolarHBondContact O-N 3.29Å; N179-I214 HydrophobicContact CB-CD1 4.3Å; N179-I214 HydrophobicContact CB-CG1 4.41Å; N179-I214 HydrophobicContact CB-CG2 3.6Å; N179-E218 PolarHBondContact ND2-OE2 3.34Å; N179-E218 PolarHBondContact OD1-OE2 2.84Å; N179-F377 HydrophobicContact CB-CD1 4.33Å; N179-F377 HydrophobicContact CB-CE1 3.88Å; N179-F377 HydrophobicContact CB-CZ 4.31Å; N179-F377 WeakPolarHBondContact ND2-CE2 3.42Å; N179-F377 WeakPolarHBondContact ND2-CZ 3.47Å; N179-F377 WeakPolarHBondContact O-CE1 3.46Å; N179-F381 HydrophobicContact CB-CE2 4.13Å; N179-F381 HydrophobicContact CB-CZ 3.9Å |
| 180 | N | 92.2 | Very high | 95.8 | Very high | 58 Ų | 58 | 13.1 Ų | 13.1 | 31% | 0.31 | 7% | 0.072 | S | C | . | . | H | α-helix | trans | -55.8 | -54.3 | 175.6 | -69.5 | -9.1 | 0 | 0 | 0 | 110.9 | T178 Y182 G183 F184 F377 | T178-N180 VanDerWaalsContact C-N 3.26Å; T178-N180 PolarHBondContact O-N 2.9Å; N180-Y182 PolarHBondContact O-N 3.12Å; N180-G183 PolarHBondContact O-N 3.45Å; N180-F184 HydrophobicContact CB-CD2 4.44Å; N180-F184 HydrophobicContact CB-CE2 4.47Å; N180-F184 WeakPolarHBondContact O-CD2 3.31Å; N180-F184 PolarHBondContact O-N 2.77Å; N180-F377 WeakPolarHBondContact OD1-CZ 3.33Å |
| 181 | E | 95.9 | Very high | 95.3 | Very high | 8 Ų | 8 | 14.3 Ų | 14.3 | 4% | 0.037 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.7 | -40.4 | -173.3 | -164.5 | 57.5 | -140.8 | 0 | 0 | 112.4 | N157 P159 K166 T178 G183 F184 D185 R188 | N157-E181 VanDerWaalsContact ND2-CG 3.34Å; N157-E181 WeakPolarHBondContact ND2-CG 3.2Å; P159-E181 WeakPolarHBondContact CA-OE2 3.35Å; P159-E181 WeakPolarHBondContact CG-OE2 3.25Å; K166-E181 IonicContact NZ-OE1 2.69Å; K166-E181 PolarHBondContact NZ-OE1 2.96Å; T178-E181 PolarHBondContact O-N 2.89Å; T178-E181 WeakPolarHBondContact OG1-CB 3.34Å; T178-E181 PolarHBondContact OG1-N 3.44Å; E181-G183 VanDerWaalsContact C-N 3.33Å; E181-G183 PolarHBondContact O-N 2.81Å; E181-F184 PolarHBondContact O-N 3.14Å; E181-D185 WeakPolarHBondContact O-CB 3.26Å; E181-D185 PolarHBondContact O-N 3.25Å; E181-R188 IonicContact OE1-CZ 2.9Å; E181-R188 IonicContact OE1-NH2 2.86Å; E181-R188 PolarHBondContact OE1-NH2 3.44Å |
| 182 | Y | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 173.2 | -78.2 | -55 | 0 | 0 | 0 | 112.7 | H127 V128 V129 Y170 T175 G177 T178 N180 Y186 Q200 Y380 | H127-Y182 HydrophobicContact CB-CE1 4.09Å; H127-Y182 HydrophobicContact CB-CE2 4.29Å; H127-Y182 AromaticContact CG-CE1 3.76Å; H127-Y182 AromaticContact ND1-CD1 3.88Å; H127-Y182 AromaticContact ND1-CE1 3.73Å; V128-Y182 PolarHBondContact O-OH 3.23Å; V129-Y182 HydrophobicContact CB-CE2 4.44Å; V129-Y182 HydrophobicContact CG1-CD2 4.25Å; V129-Y182 HydrophobicContact CG2-CD2 3.97Å; V129-Y182 HydrophobicContact CG2-CE2 3.9Å; Y170-Y182 AromaticContact CE1-CD1 3.7Å; Y170-Y182 HydrophobicContact CE1-CD1 3.7Å; Y170-Y182 AromaticContact CE1-CE1 3.56Å; Y170-Y182 HydrophobicContact CE1-CE1 3.56Å; Y170-Y182 AromaticContact CZ-CD1 3.87Å; Y170-Y182 AromaticContact CZ-CE1 3.97Å; Y170-Y182 VanDerWaalsContact OH-CD1 3.24Å; Y170-Y182 WeakPolarHBondContact OH-CD1 3.22Å; T175-Y182 HydrophobicContact CG2-CE1 4.31Å; T175-Y182 PolarHBondContact O-OH 3.03Å; G177-Y182 PolarHBondContact N-OH 2.77Å; T178-Y182 WeakPolarHBondContact O-CD2 3.43Å; T178-Y182 PolarHBondContact O-N 3.14Å; N180-Y182 PolarHBondContact O-N 3.12Å; Y182-Y186 WeakPolarHBondContact O-CB 3.1Å; Y182-Y186 PolarHBondContact O-N 2.84Å; Y182-Y186 VanDerWaalsContact O-N 3.12Å; Y182-Q200 PolarHBondContact O-NE2 2.81Å; Y182-Y380 WeakPolarHBondContact CB-OH 3.43Å; Y182-Y380 PolarHBondContact O-OH 2.66Å |
| 183 | G | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.1 | -41 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N179 N180 E181 Y186 L187 | N179-G183 PolarHBondContact O-N 3.29Å; N180-G183 PolarHBondContact O-N 3.45Å; E181-G183 VanDerWaalsContact C-N 3.33Å; E181-G183 PolarHBondContact O-N 2.81Å; G183-Y186 WeakPolarHBondContact O-CB 3.09Å; G183-Y186 PolarHBondContact O-N 3.08Å; G183-L187 WeakPolarHBondContact O-CG 3.25Å; G183-L187 PolarHBondContact O-N 3.26Å |
| 184 | F | 94.6 | Very high | 93.3 | Very high | 30 Ų | 30 | 16.8 Ų | 16.8 | 13% | 0.132 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -69.5 | -38.8 | 176.8 | -78.1 | -59.7 | 0 | 0 | 0 | 113.2 | N180 E181 Y186 L187 R188 L223 I224 I225 | N180-F184 HydrophobicContact CB-CD2 4.44Å; N180-F184 HydrophobicContact CB-CE2 4.47Å; N180-F184 WeakPolarHBondContact O-CD2 3.31Å; N180-F184 PolarHBondContact O-N 2.77Å; E181-F184 PolarHBondContact O-N 3.14Å; F184-Y186 VanDerWaalsContact C-N 3.27Å; F184-Y186 PolarHBondContact O-N 3.49Å; F184-L187 HydrophobicContact CD1-CD1 4.34Å; F184-L187 PolarHBondContact O-N 3.21Å; F184-R188 WeakPolarHBondContact O-CG 3.45Å; F184-R188 PolarHBondContact O-N 3.07Å; F184-R188 PolarHBondContact O-NE 3.19Å; F184-L223 HydrophobicContact CD2-CD2 4.34Å; F184-L223 HydrophobicContact CE1-CB 4.21Å; F184-L223 HydrophobicContact CE1-CD2 4.46Å; F184-L223 HydrophobicContact CE2-CD2 3.75Å; F184-L223 HydrophobicContact CZ-CB 4.36Å; F184-L223 HydrophobicContact CZ-CD2 3.82Å; F184-I224 WeakPolarHBondContact CE1-O 3.39Å; F184-I225 HydrophobicContact CD1-CD1 4.49Å; F184-I225 HydrophobicContact CD1-CG1 3.94Å; F184-I225 HydrophobicContact CE1-CG1 4.23Å |
| 185 | D | 96.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.6 | -40.8 | 172.5 | -80.7 | -27.4 | 0 | 0 | 0 | 111 | N157 K166 Y170 E181 R188 D189 V199 Q200 | N157-D185 PolarHBondContact ND2-OD2 3.46Å; N157-D185 PolarHBondContact OD1-OD2 2.96Å; K166-D185 IonicContact NZ-OD1 3.21Å; K166-D185 PolarHBondContact NZ-OD1 3.43Å; K166-D185 IonicContact NZ-OD2 3.83Å; Y170-D185 HydrophobicContact CE2-CB 4.35Å; Y170-D185 VanDerWaalsContact CE2-OD2 3.27Å; Y170-D185 WeakPolarHBondContact CE2-OD2 3.35Å; Y170-D185 WeakPolarHBondContact OH-CB 3.47Å; Y170-D185 PolarHBondContact OH-OD2 2.78Å; E181-D185 WeakPolarHBondContact O-CB 3.26Å; E181-D185 PolarHBondContact O-N 3.25Å; D185-R188 VanDerWaalsContact N-NH2 3.13Å; D185-R188 PolarHBondContact O-N 2.98Å; D185-R188 IonicContact OD1-CZ 2.89Å; D185-R188 IonicContact OD1-NE 2.83Å; D185-R188 PolarHBondContact OD1-NE 3.27Å; D185-R188 IonicContact OD1-NH2 2.64Å; D185-R188 PolarHBondContact OD1-NH2 2.89Å; D185-D189 WeakPolarHBondContact O-CB 3.48Å; D185-D189 VanDerWaalsContact O-CG 3.3Å; D185-D189 PolarHBondContact O-N 2.93Å; D185-V199 HydrophobicContact CB-CG2 3.91Å; D185-Q200 HydrophobicContact CB-CG 4Å; D185-Q200 VanDerWaalsContact CB-NE2 3.3Å |
| 186 | Y | 95.9 | Very high | 92.2 | Very high | 30 Ų | 30 | 25.4 Ų | 25.4 | 12% | 0.118 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 174.1 | 172.6 | -97.2 | 0 | 0 | 0 | 112.2 | Y182 G183 F184 D189 N190 L203 I375 Y380 L383 R656 Y660 | Y182-Y186 WeakPolarHBondContact O-CB 3.1Å; Y182-Y186 PolarHBondContact O-N 2.84Å; Y182-Y186 VanDerWaalsContact O-N 3.12Å; G183-Y186 WeakPolarHBondContact O-CB 3.09Å; G183-Y186 PolarHBondContact O-N 3.08Å; F184-Y186 VanDerWaalsContact C-N 3.27Å; F184-Y186 PolarHBondContact O-N 3.49Å; Y186-D189 PolarHBondContact O-N 2.7Å; Y186-N190 VanDerWaalsContact CE2-ND2 3.32Å; Y186-N190 WeakPolarHBondContact CE2-ND2 3.45Å; Y186-N190 PolarHBondContact O-N 2.84Å; Y186-N190 PolarHBondContact O-ND2 3.03Å; Y186-L203 HydrophobicContact CD2-CD1 4.33Å; Y186-L203 HydrophobicContact CE2-CD1 4.5Å; Y186-I375 HydrophobicContact CD1-CD1 4.08Å; Y186-I375 HydrophobicContact CE1-CD1 3.68Å; Y186-Y380 VanDerWaalsContact CB-CE2 3.48Å; Y186-Y380 AromaticContact CD1-CD2 3.92Å; Y186-Y380 HydrophobicContact CD1-CD2 3.92Å; Y186-Y380 HydrophobicContact CD1-CE2 4.13Å; Y186-Y380 HydrophobicContact CD2-CE2 4.11Å; Y186-Y380 AromaticContact CG-CD2 3.92Å; Y186-Y380 HydrophobicContact CG-CD2 3.92Å; Y186-Y380 AromaticContact CG-CE2 3.63Å; Y186-Y380 HydrophobicContact CG-CE2 3.63Å; Y186-L383 HydrophobicContact CE1-CD1 3.96Å; Y186-L383 HydrophobicContact CE2-CD1 3.88Å; Y186-L383 VanDerWaalsContact CZ-CD1 3.48Å; Y186-L383 WeakPolarHBondContact OH-CD1 3.47Å; Y186-R656 PolarHBondContact OH-NH1 3.15Å; Y186-Y660 HydrophobicContact CE1-CD2 4.36Å; Y186-Y660 HydrophobicContact CE1-CE2 4.14Å |
| 187 | L | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 176.1 | -68.8 | -179.2 | 0 | 0 | 0 | 111.3 | G183 F184 D189 N190 M191 L223 I225 A373 I375 | G183-L187 WeakPolarHBondContact O-CG 3.25Å; G183-L187 PolarHBondContact O-N 3.26Å; F184-L187 HydrophobicContact CD1-CD1 4.34Å; F184-L187 PolarHBondContact O-N 3.21Å; L187-D189 PolarHBondContact O-N 3.09Å; L187-N190 PolarHBondContact O-N 2.97Å; L187-M191 WeakPolarHBondContact O-CG 3.23Å; L187-M191 PolarHBondContact O-N 3.44Å; L187-L223 HydrophobicContact CD1-CB 4.21Å; L187-I225 HydrophobicContact CB-CD1 3.52Å; L187-I225 HydrophobicContact CB-CG1 4.21Å; L187-I225 HydrophobicContact CD1-CD1 4.28Å; L187-I225 HydrophobicContact CD1-CG1 4.03Å; L187-A373 HydrophobicContact CB-CB 4.33Å; L187-A373 HydrophobicContact CD1-CB 4.5Å; L187-A373 HydrophobicContact CD2-CB 4.1Å; L187-I375 HydrophobicContact CD1-CG2 4.05Å; L187-I375 HydrophobicContact CD2-CB 3.92Å; L187-I375 HydrophobicContact CD2-CG2 3.63Å; L187-I375 HydrophobicContact CG-CG2 3.87Å |
| 188 | R | 92.6 | Very high | 91.6 | Very high | 39 Ų | 39 | 31.4 Ų | 31.4 | 15% | 0.147 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 177.7 | -74.8 | -178.4 | -68.8 | -104.9 | -4 | 112.8 | K166 E181 F184 D185 N190 M191 A192 I225 H859 | K166-R188 VanDerWaalsContact NZ-NH2 3.13Å; E181-R188 IonicContact OE1-CZ 2.9Å; E181-R188 IonicContact OE1-NH2 2.86Å; E181-R188 PolarHBondContact OE1-NH2 3.44Å; F184-R188 WeakPolarHBondContact O-CG 3.45Å; F184-R188 PolarHBondContact O-N 3.07Å; F184-R188 PolarHBondContact O-NE 3.19Å; D185-R188 VanDerWaalsContact N-NH2 3.13Å; D185-R188 PolarHBondContact O-N 2.98Å; D185-R188 IonicContact OD1-CZ 2.89Å; D185-R188 IonicContact OD1-NE 2.83Å; D185-R188 PolarHBondContact OD1-NE 3.27Å; D185-R188 IonicContact OD1-NH2 2.64Å; D185-R188 PolarHBondContact OD1-NH2 2.89Å; R188-N190 PolarHBondContact O-N 2.74Å; R188-M191 CarbonylContact O-C 3.47Å; R188-M191 WeakPolarHBondContact O-CA 3.34Å; R188-M191 PolarHBondContact O-N 2.91Å; R188-A192 PolarHBondContact O-N 3.09Å; R188-I225 HydrophobicContact CG-CD1 3.83Å; R188-H859 PolarHBondContact NH1-CE1 2.93Å; R188-H859 VanDerWaalsContact NH1-CE1 3.32Å; R188-H859 PolarHBondContact NH1-NE2 3.09Å |
| 189 | D | 93.6 | Very high | 91.6 | Very high | 12 Ų | 12 | 31.8 Ų | 31.8 | 6% | 0.064 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.5 | -31.4 | 176.6 | -79 | 1.8 | 0 | 0 | 0 | 112.6 | D185 Y186 L187 M191 A192 R198 V199 Q200 | D185-D189 WeakPolarHBondContact O-CB 3.48Å; D185-D189 VanDerWaalsContact O-CG 3.3Å; D185-D189 PolarHBondContact O-N 2.93Å; Y186-D189 PolarHBondContact O-N 2.7Å; L187-D189 PolarHBondContact O-N 3.09Å; D189-M191 VanDerWaalsContact C-N 3.28Å; D189-A192 WeakPolarHBondContact O-CB 3.46Å; D189-R198 HydrophobicContact CB-CB 4.33Å; D189-R198 HydrophobicContact CB-CG 4.13Å; D189-R198 VanDerWaalsContact OD1-CA 3.29Å; D189-R198 WeakPolarHBondContact OD1-CA 3.48Å; D189-V199 PolarHBondContact OD1-N 3.28Å; D189-V199 PolarHBondContact OD2-N 3.09Å; D189-Q200 WeakPolarHBondContact OD2-CA 3.36Å; D189-Q200 WeakPolarHBondContact OD2-CB 3.47Å; D189-Q200 WeakPolarHBondContact OD2-CG 3.36Å; D189-Q200 PolarHBondContact OD2-N 2.72Å |
| 190 | N | 91.3 | Very high | 91.7 | Very high | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -1.5 | 173.9 | -69.3 | -82.4 | 0 | 0 | 0 | 113.2 | Y186 L187 R188 Y660 R663 N664 | Y186-N190 VanDerWaalsContact CE2-ND2 3.32Å; Y186-N190 WeakPolarHBondContact CE2-ND2 3.45Å; Y186-N190 PolarHBondContact O-N 2.84Å; Y186-N190 PolarHBondContact O-ND2 3.03Å; L187-N190 PolarHBondContact O-N 2.97Å; R188-N190 PolarHBondContact O-N 2.74Å; N190-Y660 HydrophobicContact CB-CD1 4.13Å; N190-Y660 HydrophobicContact CB-CD2 3.61Å; N190-Y660 HydrophobicContact CB-CE1 4.05Å; N190-Y660 HydrophobicContact CB-CE2 3.53Å; N190-Y660 HydrophobicContact CB-CG 3.94Å; N190-Y660 WeakPolarHBondContact OD1-CB 3.07Å; N190-Y660 WeakPolarHBondContact OD1-CD2 3.41Å; N190-R663 WeakPolarHBondContact O-CD 3.29Å; N190-R663 PolarHBondContact O-NE 2.9Å; N190-R663 PolarHBondContact O-NH1 2.91Å; N190-N664 PolarHBondContact OD1-ND2 3.04Å; N190-N664 VanDerWaalsContact OD1-ND2 3.08Å |
| 191 | M | 86.2 | Confident | 91.7 | Very high | 27 Ų | 27 | 34.7 Ų | 34.7 | 13% | 0.133 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | -5.8 | 170.4 | -64.8 | 176.3 | 69.2 | 0 | 0 | 112.6 | L187 R188 D189 I225 L372 A373 R663 Q855 | L187-M191 WeakPolarHBondContact O-CG 3.23Å; L187-M191 PolarHBondContact O-N 3.44Å; R188-M191 CarbonylContact O-C 3.47Å; R188-M191 WeakPolarHBondContact O-CA 3.34Å; R188-M191 PolarHBondContact O-N 2.91Å; D189-M191 VanDerWaalsContact C-N 3.28Å; M191-I225 HydrophobicContact CE-CG2 4.44Å; M191-I225 HydrophobicContact SD-CB 4.46Å; M191-I225 HydrophobicContact SD-CD1 3.92Å; M191-I225 HydrophobicContact SD-CG2 4.23Å; M191-L372 HydrophobicContact CE-CB 3.62Å; M191-L372 HydrophobicContact CE-CD1 3.75Å; M191-L372 HydrophobicContact CE-CG 4.33Å; M191-L372 HydrophobicContact SD-CB 4.39Å; M191-A373 HydrophobicContact CG-CB 4.35Å; M191-A373 HydrophobicContact SD-CB 3.68Å; M191-R663 PolarHBondContact O-NH2 2.97Å; M191-Q855 VanDerWaalsContact CE-NE2 3.27Å |
| 192 | A | 87.8 | Confident | 91.6 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | trans | -58.7 | 146 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R188 D189 E197 R198 R663 | R188-A192 PolarHBondContact O-N 3.09Å; D189-A192 WeakPolarHBondContact O-CB 3.46Å; A192-E197 HydrophobicContact CB-CB 3.9Å; A192-R198 HydrophobicContact CB-CG 4.05Å; A192-R663 PolarHBondContact O-NH1 3.24Å; A192-R663 PolarHBondContact O-NH2 3.06Å; A192-R663 VanDerWaalsContact O-NH2 3.09Å | ||
| 193 | F | 81.1 | Confident | 91.6 | Very high | 96 Ų | 96 | 44.2 Ų | 44.2 | 42% | 0.421 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -92.7 | -15.7 | -179.6 | -63.4 | -86 | 0 | 0 | 0 | 112.8 | E197 L667 A848 | F193-E197 PolarHBondContact N-OE2 3.48Å; F193-L667 VanDerWaalsContact O-CD1 3.29Å; F193-L667 WeakPolarHBondContact O-CD1 3.47Å; F193-A848 HydrophobicContact CD1-CB 4.06Å; F193-A848 HydrophobicContact CD2-CB 3.54Å; F193-A848 HydrophobicContact CE1-CB 3.91Å; F193-A848 HydrophobicContact CE2-CB 3.36Å; F193-A848 HydrophobicContact CG-CB 3.88Å; F193-A848 HydrophobicContact CZ-CB 3.55Å |
| 194 | S | 83.1 | Confident | 91.7 | Very high | 28 Ų | 28 | 45 Ų | 45 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -140.9 | 150.8 | 178.1 | 64.3 | 0 | 0 | 0 | 0 | 110.8 | E196 E197 | S194-E196 WeakPolarHBondContact CB-OE2 3.39Å; S194-E196 PolarHBondContact O-N 2.92Å; S194-E197 PolarHBondContact O-N 3.19Å; S194-E197 VanDerWaalsContact OG-CG 3.24Å; S194-E197 WeakPolarHBondContact OG-CG 3.23Å; S194-E197 PolarHBondContact OG-OE1 2.66Å |
| 195 | P | 87.5 | Confident | 91.9 | Very high | 49 Ų | 49 | 43.7 Ų | 43.7 | 32% | 0.318 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -57.6 | -31.2 | 176.2 | -25.3 | 35.2 | 0 | 0 | 0 | 113.4 | E197 R198 L667 | P195-E197 VanDerWaalsContact C-N 3.31Å; P195-E197 PolarHBondContact O-N 3.27Å; P195-R198 WeakPolarHBondContact O-CB 3.47Å; P195-R198 PolarHBondContact O-N 3.4Å; P195-L667 HydrophobicContact CG-CD2 4.29Å; P195-L667 HydrophobicContact CG-CG 4.03Å |
| 196 | E | 88.4 | Confident | 92 | Very high | 133 Ų | 133 | 43.7 Ų | 43.7 | 62% | 0.621 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -74.3 | -20.1 | -177.2 | -57.9 | 75.2 | -162.5 | 0 | 0 | 113.4 | R167 S194 R198 | R167-E196 PolarHBondContact NE-O 3.35Å; R167-E196 VanDerWaalsContact NE-O 3.11Å; S194-E196 WeakPolarHBondContact CB-OE2 3.39Å; S194-E196 PolarHBondContact O-N 2.92Å; E196-R198 VanDerWaalsContact C-N 3.32Å |
| 197 | E | 88.1 | Confident | 92.1 | Very high | 82 Ų | 82 | 42.2 Ų | 42.2 | 38% | 0.383 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -73.2 | -25.8 | 174 | -81.3 | 161 | -140.6 | 0 | 0 | 112.4 | A192 F193 S194 P195 | A192-E197 HydrophobicContact CB-CB 3.9Å; F193-E197 PolarHBondContact N-OE2 3.48Å; S194-E197 PolarHBondContact O-N 3.19Å; S194-E197 VanDerWaalsContact OG-CG 3.24Å; S194-E197 WeakPolarHBondContact OG-CG 3.23Å; S194-E197 PolarHBondContact OG-OE1 2.66Å; P195-E197 VanDerWaalsContact C-N 3.31Å; P195-E197 PolarHBondContact O-N 3.27Å |
| 198 | R | 93.5 | Very high | 92.3 | Very high | 47 Ų | 47 | 42.2 Ų | 42.2 | 18% | 0.177 | 20% | 0.196 | C | C | . | . | trans | -61.6 | 142.4 | 179.1 | -62.4 | -179.1 | 179.2 | 144.8 | -2.6 | 111 | R167 D189 A192 P195 E196 N664 L667 D668 | R167-R198 WeakPolarHBondContact CD-O 3.43Å; R167-R198 WeakPolarHBondContact CG-O 3.34Å; D189-R198 HydrophobicContact CB-CB 4.33Å; D189-R198 HydrophobicContact CB-CG 4.13Å; D189-R198 VanDerWaalsContact OD1-CA 3.29Å; D189-R198 WeakPolarHBondContact OD1-CA 3.48Å; A192-R198 HydrophobicContact CB-CG 4.05Å; P195-R198 WeakPolarHBondContact O-CB 3.47Å; P195-R198 PolarHBondContact O-N 3.4Å; E196-R198 VanDerWaalsContact C-N 3.32Å; R198-N664 VanDerWaalsContact NH2-CG 3.33Å; R198-N664 PolarHBondContact NH2-OD1 3.48Å; R198-L667 VanDerWaalsContact NH2-CD2 3.26Å; R198-D668 IonicContact CZ-OD1 3.6Å; R198-D668 IonicContact NH1-OD1 2.82Å; R198-D668 PolarHBondContact NH1-OD1 3.18Å; R198-D668 IonicContact NH1-OD2 3.85Å; R198-D668 IonicContact NH2-OD1 3.9Å | ||
| 199 | V | 95.5 | Very high | 92.4 | Very high | 13 Ų | 13 | 40.9 Ų | 40.9 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | trans | -107.5 | -32.9 | -179.3 | -53.8 | 0 | 0 | 0 | 0 | 113 | A163 K166 R167 Y170 D185 D189 | A163-V199 HydrophobicContact CB-CG1 4.4Å; K166-V199 HydrophobicContact CB-CB 4Å; K166-V199 HydrophobicContact CB-CG1 3.94Å; K166-V199 HydrophobicContact CB-CG2 4.39Å; R167-V199 HydrophobicContact CG-CB 4.16Å; R167-V199 HydrophobicContact CG-CG1 4.1Å; Y170-V199 WeakPolarHBondContact CB-O 3.48Å; Y170-V199 HydrophobicContact CD2-CB 4.07Å; Y170-V199 HydrophobicContact CD2-CG2 3.95Å; Y170-V199 VanDerWaalsContact CD2-O 3.32Å; Y170-V199 WeakPolarHBondContact CD2-O 3.48Å; Y170-V199 HydrophobicContact CE2-CB 4.29Å; Y170-V199 HydrophobicContact CE2-CG2 3.68Å; D185-V199 HydrophobicContact CB-CG2 3.91Å; D189-V199 PolarHBondContact OD1-N 3.28Å; D189-V199 PolarHBondContact OD2-N 3.09Å | ||
| 200 | Q | 95.2 | Very high | 92.3 | Very high | 26 Ų | 26 | 40.9 Ų | 40.9 | 12% | 0.121 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -82.9 | 151 | -176.6 | -58.3 | -162.4 | -20 | 0 | 0 | 112.6 | Y170 Y182 D185 D189 | Y170-Q200 HydrophobicContact CD1-CB 4.48Å; Y170-Q200 HydrophobicContact CD1-CG 4.25Å; Y170-Q200 HydrophobicContact CD2-CG 4.46Å; Y170-Q200 HydrophobicContact CE1-CB 4.38Å; Y170-Q200 HydrophobicContact CE1-CG 3.73Å; Y170-Q200 HydrophobicContact CE2-CG 4.02Å; Y170-Q200 PolarHBondContact OH-NE2 3.44Å; Y182-Q200 PolarHBondContact O-NE2 2.81Å; D185-Q200 HydrophobicContact CB-CG 4Å; D185-Q200 VanDerWaalsContact CB-NE2 3.3Å; D189-Q200 WeakPolarHBondContact OD2-CA 3.36Å; D189-Q200 WeakPolarHBondContact OD2-CB 3.47Å; D189-Q200 WeakPolarHBondContact OD2-CG 3.36Å; D189-Q200 PolarHBondContact OD2-N 2.72Å |
| 201 | R | 93.4 | Very high | 92.4 | Very high | 93 Ų | 93 | 40.5 Ų | 40.5 | 35% | 0.351 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -84.6 | 173.2 | 162.4 | -65.5 | 174.9 | 166.1 | 166.6 | -12.2 | 110.3 | Y170 A171 A172 L203 | Y170-R201 VanDerWaalsContact O-CD 3.24Å; Y170-R201 WeakPolarHBondContact O-CD 3.26Å; Y170-R201 PolarHBondContact O-NE 2.86Å; Y170-R201 VanDerWaalsContact O-NE 3.17Å; Y170-R201 PolarHBondContact O-NH1 3.21Å; A171-R201 VanDerWaalsContact C-CZ 3.43Å; A171-R201 PolarHBondContact O-NH1 3.44Å; A171-R201 VanDerWaalsContact O-NH1 3.13Å; A171-R201 PolarHBondContact O-NH2 3.22Å; A172-R201 PolarHBondContact O-NH1 2.82Å; R201-L203 PolarHBondContact O-N 3.44Å |
| 202 | K | 93.7 | Very high | 92.6 | Very high | 187 Ų | 187 | 39.2 Ų | 39.2 | 81% | 0.813 | 18% | 0.183 | S | C | * | . | P | Polyproline II helix | trans | -55.9 | 131.2 | 168.2 | -172.5 | 171.9 | -177.2 | 171.3 | 0 | 110.8 | H204 | K202-H204 PolarHBondContact O-N 3.43Š|
| 203 | L | 96.5 | Very high | 92.5 | Very high | 20 Ų | 20 | 38.9 Ų | 38.9 | 11% | 0.105 | 18% | 0.18 | C | C | . | . | trans | -68 | 97.8 | -176.1 | -56 | -178.1 | 0 | 0 | 0 | 112 | Y186 R201 Y380 L383 Y384 E385 | Y186-L203 HydrophobicContact CD2-CD1 4.33Å; Y186-L203 HydrophobicContact CE2-CD1 4.5Å; R201-L203 PolarHBondContact O-N 3.44Å; L203-Y380 HydrophobicContact CD1-CE2 4.01Å; L203-L383 HydrophobicContact CD1-CB 3.77Å; L203-L383 HydrophobicContact CD1-CD1 4.34Å; L203-Y384 HydrophobicContact CB-CD1 3.83Å; L203-Y384 HydrophobicContact CB-CD2 4.29Å; L203-Y384 HydrophobicContact CB-CE1 3.95Å; L203-Y384 HydrophobicContact CB-CE2 4.4Å; L203-Y384 HydrophobicContact CB-CG 4.02Å; L203-Y384 HydrophobicContact CD1-CD2 4.26Å; L203-Y384 HydrophobicContact CD1-CE2 4.04Å; L203-Y384 HydrophobicContact CD2-CE1 4.03Å; L203-Y384 HydrophobicContact CD2-CE2 4.25Å; L203-Y384 HydrophobicContact CG-CE1 4.49Å; L203-Y384 HydrophobicContact CG-CE2 4.46Å; L203-E385 PolarHBondContact O-N 2.96Å | ||
| 204 | H | 97.6 | Very high | 93 | Very high | 18 Ų | 18 | 34.3 Ų | 34.3 | 8% | 0.083 | 16% | 0.16 | C | C | . | . | trans | -96.4 | -71.5 | -176.2 | -176.3 | 58.2 | 0 | 0 | 0 | 113.2 | K124 K202 E385 K386 | K124-H204 HydrophobicContact CB-CB 3.83Å; K202-H204 PolarHBondContact O-N 3.43Å; H204-E385 IonicContact CE1-OE1 3.75Å; H204-E385 IonicContact CE1-OE2 2.8Å; H204-E385 PolarHBondContact CE1-OE2 3.18Å; H204-E385 IonicContact ND1-OE1 2.85Å; H204-E385 IonicContact ND1-OE2 3.52Å; H204-E385 PolarHBondContact ND1-OE2 3.4Å; H204-E385 WeakPolarHBondContact O-CB 3.42Å; H204-E385 PolarHBondContact O-N 3.38Å; H204-K386 PolarHBondContact O-N 3Å | ||
| 205 | Y | 98.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 120.4 | -178 | -178.6 | -131.1 | 0 | 0 | 0 | 112 | L94 P115 N119 V126 H127 L207 K386 A388 | L94-Y205 PolarHBondContact O-OH 3.4Å; P115-Y205 HydrophobicContact CB-CE1 4.44Å; N119-Y205 HydrophobicContact CB-CD1 3.44Å; N119-Y205 VanDerWaalsContact CB-CD1 3.44Å; N119-Y205 HydrophobicContact CB-CE1 3.99Å; N119-Y205 HydrophobicContact CB-CG 4.05Å; V126-Y205 HydrophobicContact CB-CD1 4.3Å; V126-Y205 HydrophobicContact CG1-CD1 3.57Å; V126-Y205 HydrophobicContact CG1-CE1 4.1Å; V126-Y205 HydrophobicContact CG2-CD1 3.92Å; H127-Y205 PolarHBondContact N-O 3.21Å; Y205-L207 HydrophobicContact CE1-CB 4.14Å; Y205-K386 WeakPolarHBondContact CA-O 3.36Å; Y205-K386 HydrophobicContact CD2-CB 3.64Å; Y205-K386 HydrophobicContact CD2-CD 3.49Å; Y205-K386 VanDerWaalsContact CD2-CD 3.49Å; Y205-K386 HydrophobicContact CD2-CG 3.44Å; Y205-K386 VanDerWaalsContact CD2-CG 3.44Å; Y205-K386 WeakPolarHBondContact CD2-O 3.29Å; Y205-K386 HydrophobicContact CE2-CB 4.46Å; Y205-K386 HydrophobicContact CE2-CD 3.81Å; Y205-K386 HydrophobicContact CE2-CG 3.79Å; Y205-K386 HydrophobicContact CG-CB 4.41Å; Y205-K386 HydrophobicContact CG-CD 4.15Å; Y205-K386 HydrophobicContact CG-CG 4.44Å; Y205-A388 HydrophobicContact CE2-CB 3.92Å |
| 206 | A | 98.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | H127 F381 Y384 K386 L387 A388 | H127-A206 WeakPolarHBondContact O-CA 3.16Å; A206-F381 HydrophobicContact CB-CD1 4.44Å; A206-Y384 HydrophobicContact CB-CD1 3.5Å; A206-Y384 HydrophobicContact CB-CD2 4.07Å; A206-Y384 HydrophobicContact CB-CE1 3.56Å; A206-Y384 HydrophobicContact CB-CE2 4.12Å; A206-Y384 HydrophobicContact CB-CG 3.76Å; A206-K386 PolarHBondContact N-O 3.46Å; A206-L387 HydrophobicContact CB-CD1 3.79Å; A206-A388 PolarHBondContact O-N 3.22Å |
| 207 | L | 98.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 107.8 | 171.7 | 177.8 | 64.6 | 0 | 0 | 0 | 109.5 | L94 A112 P115 H127 V128 V129 Y205 A388 | L94-L207 HydrophobicContact CB-CD1 4.11Å; L94-L207 HydrophobicContact CD1-CD1 3.85Å; L94-L207 HydrophobicContact CD2-CD1 3.62Å; L94-L207 HydrophobicContact CG-CD1 4.05Å; A112-L207 HydrophobicContact CB-CD2 3.52Å; P115-L207 HydrophobicContact CG-CD2 4.18Å; H127-L207 PolarHBondContact O-N 2.63Å; V128-L207 WeakPolarHBondContact CA-O 3.11Å; V129-L207 PolarHBondContact N-O 3.17Å; Y205-L207 HydrophobicContact CE1-CB 4.14Å; L207-A388 HydrophobicContact CD1-CB 4.3Å |
| 208 | V | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 116.5 | -173.6 | -169.9 | 0 | 0 | 0 | 0 | 110.8 | V129 V211 I214 F381 L387 A388 G389 M390 | V129-V208 HydrophobicContact CB-CB 4.45Å; V129-V208 HydrophobicContact CB-CG1 4.33Å; V129-V208 HydrophobicContact CB-CG2 4.22Å; V129-V208 HydrophobicContact CG2-CG2 4.26Å; V208-V211 HydrophobicContact CB-CB 4.18Å; V208-V211 HydrophobicContact CB-CG2 4.03Å; V208-V211 HydrophobicContact CG1-CB 4.12Å; V208-V211 HydrophobicContact CG1-CG2 4.13Å; V208-I214 HydrophobicContact CG1-CB 3.96Å; V208-I214 HydrophobicContact CG1-CD1 3.52Å; V208-I214 HydrophobicContact CG1-CG1 4.28Å; V208-I214 HydrophobicContact CG1-CG2 4.14Å; V208-F381 HydrophobicContact CG2-CD1 4.41Å; V208-F381 HydrophobicContact CG2-CE1 4.15Å; V208-L387 HydrophobicContact CG2-CD1 3.88Å; V208-A388 PolarHBondContact N-O 2.96Å; V208-G389 CarbonylContact O-C 3.58Å; V208-G389 WeakPolarHBondContact O-CA 3.42Å; V208-M390 PolarHBondContact O-N 3.08Å |
| 209 | D | 94.8 | Very high | 92.2 | Very high | 11 Ų | 11 | 22.7 Ų | 22.7 | 6% | 0.059 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 148.3 | 166.6 | -170.6 | 23.7 | 0 | 0 | 0 | 110.8 | K108 V129 V211 M390 | K108-D209 IonicContact NZ-OD1 3.35Å; K108-D209 PolarHBondContact NZ-OD1 3.48Å; K108-D209 VanDerWaalsContact NZ-OD1 3.14Å; V129-D209 PolarHBondContact O-N 3.37Å; D209-V211 PolarHBondContact O-N 2.75Å; D209-M390 HydrophobicContact CB-CE 3.65Å; D209-M390 HydrophobicContact CB-CG 4.48Å |
| 210 | E | 91.3 | Very high | 91.1 | Very high | 11 Ų | 11 | 29.8 Ų | 29.8 | 5% | 0.051 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 49.3 | -169.8 | -56.3 | -65.4 | -176.1 | 0 | 0 | 111.3 | K108 V131 D212 S213 I214 M390 | K108-E210 IonicContact NZ-OE1 3.24Å; K108-E210 PolarHBondContact NZ-OE1 2.9Å; K108-E210 IonicContact NZ-OE2 3.15Å; K108-E210 PolarHBondContact NZ-OE2 3.31Å; V131-E210 HydrophobicContact CG2-CB 3.9Å; V131-E210 HydrophobicContact CG2-CG 4.44Å; E210-D212 VanDerWaalsContact C-OD1 3.28Å; E210-D212 PolarHBondContact O-N 2.7Å; E210-S213 WeakPolarHBondContact O-CA 3.38Å; E210-S213 VanDerWaalsContact O-CB 3.26Å; E210-S213 WeakPolarHBondContact O-CB 3.45Å; E210-S213 PolarHBondContact O-N 2.97Å; E210-I214 PolarHBondContact O-N 3.41Å; E210-M390 WeakPolarHBondContact CA-O 3.45Å; E210-M390 PolarHBondContact N-O 3.15Å |
| 211 | V | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -53.9 | -28.8 | -172.5 | 65.4 | 0 | 0 | 0 | 0 | 114.4 | I99 V208 D209 L215 M390 T391 F401 | I99-V211 HydrophobicContact CD1-CB 4.34Å; I99-V211 HydrophobicContact CD1-CG1 3.94Å; I99-V211 HydrophobicContact CD1-CG2 3.68Å; I99-V211 HydrophobicContact CG2-CG1 3.76Å; V208-V211 HydrophobicContact CB-CB 4.18Å; V208-V211 HydrophobicContact CB-CG2 4.03Å; V208-V211 HydrophobicContact CG1-CB 4.12Å; V208-V211 HydrophobicContact CG1-CG2 4.13Å; D209-V211 PolarHBondContact O-N 2.75Å; V211-L215 HydrophobicContact CG2-CB 4.41Å; V211-L215 HydrophobicContact CG2-CD1 3.39Å; V211-L215 HydrophobicContact CG2-CG 3.76Å; V211-L215 WeakPolarHBondContact O-CB 3.39Å; V211-L215 WeakPolarHBondContact O-CG 3.46Å; V211-L215 PolarHBondContact O-N 2.61Å; V211-M390 PolarHBondContact N-O 2.92Å; V211-M390 VanDerWaalsContact N-O 3.09Å; V211-T391 HydrophobicContact CG1-CG2 3.75Å; V211-F401 HydrophobicContact CG1-CE1 4.46Å; V211-F401 HydrophobicContact CG1-CZ 4.17Å; V211-F401 HydrophobicContact CG2-CE1 4.16Å |
| 212 | D | 90.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.3 | -37.6 | 173.8 | 53.8 | -3.4 | 0 | 0 | 0 | 112.6 | E210 I216 D217 T391 T393 F401 R566 | E210-D212 VanDerWaalsContact C-OD1 3.28Å; E210-D212 PolarHBondContact O-N 2.7Å; D212-I216 WeakPolarHBondContact O-CA 3.16Å; D212-I216 WeakPolarHBondContact O-CB 3.32Å; D212-I216 PolarHBondContact O-N 2.86Å; D212-D217 PolarHBondContact O-N 3.46Å; D212-D217 VanDerWaalsContact O-N 3.16Å; D212-T391 HydrophobicContact CB-CG2 4.38Å; D212-T391 PolarHBondContact OD1-OG1 3.27Å; D212-T391 PolarHBondContact OD2-OG1 2.86Å; D212-T393 PolarHBondContact OD2-OG1 3.28Å; D212-T393 VanDerWaalsContact OD2-OG1 3.09Å; D212-F401 HydrophobicContact CB-CZ 4.05Å; D212-R566 IonicContact OD1-NH1 2.66Å; D212-R566 PolarHBondContact OD1-NH1 2.88Å; D212-R566 VanDerWaalsContact OD2-CD 3.23Å; D212-R566 WeakPolarHBondContact OD2-CD 3.38Å; D212-R566 IonicContact OD2-CZ 2.97Å; D212-R566 IonicContact OD2-NE 3.74Å; D212-R566 IonicContact OD2-NH1 2.94Å; D212-R566 PolarHBondContact OD2-NH1 3.23Å |
| 213 | S | 86.6 | Confident | 89.5 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | -66 | -42.8 | 176.4 | -51.1 | 0 | 0 | 0 | 0 | 110.7 | E210 D217 E218 R509 | E210-S213 WeakPolarHBondContact O-CA 3.38Å; E210-S213 VanDerWaalsContact O-CB 3.26Å; E210-S213 WeakPolarHBondContact O-CB 3.45Å; E210-S213 PolarHBondContact O-N 2.97Å; S213-D217 VanDerWaalsContact O-CB 3.31Å; S213-D217 WeakPolarHBondContact O-CB 3.4Å; S213-D217 PolarHBondContact O-N 3.3Å; S213-E218 WeakPolarHBondContact O-CG 3.41Å; S213-E218 PolarHBondContact O-N 3.09Å; S213-R509 PolarHBondContact OG-NH1 3.29Å |
| 214 | I | 90.5 | Very high | 89 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -78.7 | -50.4 | -176.5 | -66 | 171.4 | 0 | 0 | 0 | 111.6 | V129 V131 N179 V208 E210 A219 F381 | V129-I214 HydrophobicContact CG1-CD1 3.97Å; V131-I214 HydrophobicContact CG2-CD1 4.13Å; V131-I214 HydrophobicContact CG2-CG1 4.17Å; N179-I214 HydrophobicContact CB-CD1 4.3Å; N179-I214 HydrophobicContact CB-CG1 4.41Å; N179-I214 HydrophobicContact CB-CG2 3.6Å; V208-I214 HydrophobicContact CG1-CB 3.96Å; V208-I214 HydrophobicContact CG1-CD1 3.52Å; V208-I214 HydrophobicContact CG1-CG1 4.28Å; V208-I214 HydrophobicContact CG1-CG2 4.14Å; E210-I214 PolarHBondContact O-N 3.41Å; I214-A219 PolarHBondContact O-N 3.19Å; I214-F381 HydrophobicContact CG2-CE2 3.63Å; I214-F381 HydrophobicContact CG2-CZ 4.05Å |
| 215 | L | 92.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -87.5 | -10.4 | -172.1 | -58.3 | -170.5 | 0 | 0 | 0 | 114.1 | V211 A219 F381 L387 F401 Y405 L407 | V211-L215 HydrophobicContact CG2-CB 4.41Å; V211-L215 HydrophobicContact CG2-CD1 3.39Å; V211-L215 HydrophobicContact CG2-CG 3.76Å; V211-L215 WeakPolarHBondContact O-CB 3.39Å; V211-L215 WeakPolarHBondContact O-CG 3.46Å; V211-L215 PolarHBondContact O-N 2.61Å; L215-A219 VanDerWaalsContact O-CB 3.3Å; L215-A219 WeakPolarHBondContact O-CB 3.27Å; L215-F381 HydrophobicContact CD2-CB 4.06Å; L215-F381 HydrophobicContact CD2-CD2 3.24Å; L215-F381 HydrophobicContact CD2-CE2 3.8Å; L215-F381 HydrophobicContact CD2-CG 3.72Å; L215-L387 HydrophobicContact CD1-CD2 4.38Å; L215-F401 HydrophobicContact CB-CE1 4.11Å; L215-F401 HydrophobicContact CD1-CE1 4.46Å; L215-Y405 HydrophobicContact CB-CE1 4.5Å; L215-Y405 HydrophobicContact CB-CE2 3.76Å; L215-Y405 WeakPolarHBondContact CB-OH 3.3Å; L215-Y405 HydrophobicContact CD1-CD1 4.27Å; L215-Y405 HydrophobicContact CD1-CD2 4.32Å; L215-Y405 HydrophobicContact CD1-CE1 4.14Å; L215-Y405 HydrophobicContact CD1-CE2 4.2Å; L215-Y405 HydrophobicContact CD1-CG 4.33Å; L215-Y405 HydrophobicContact CD2-CE1 3.95Å; L215-Y405 HydrophobicContact CG-CE1 4.44Å; L215-Y405 HydrophobicContact CG-CE2 4.44Å; L215-Y405 PolarHBondContact O-OH 3.32Å; L215-Y405 VanDerWaalsContact O-OH 3.05Å; L215-L407 HydrophobicContact CD1-CD1 4.42Å |
| 216 | I | 88 | Confident | 87.6 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -121.2 | -50.3 | -178.3 | -48.8 | -68.3 | 0 | 0 | 0 | 110.9 | D212 E397 E400 F401 R642 | D212-I216 WeakPolarHBondContact O-CA 3.16Å; D212-I216 WeakPolarHBondContact O-CB 3.32Å; D212-I216 PolarHBondContact O-N 2.86Å; I216-E397 HydrophobicContact CG2-CG 4.47Å; I216-E400 HydrophobicContact CD1-CB 4.25Å; I216-E400 HydrophobicContact CD1-CG 3.67Å; I216-E400 WeakPolarHBondContact CD1-OE1 3.44Å; I216-F401 HydrophobicContact CD1-CD1 4.12Å; I216-F401 HydrophobicContact CD1-CE1 3.82Å; I216-F401 HydrophobicContact CD1-CZ 4.13Å; I216-F401 HydrophobicContact CG1-CE1 3.76Å; I216-F401 HydrophobicContact CG1-CZ 3.74Å; I216-R642 PolarHBondContact O-NH1 2.69Å |
| 217 | D | 83.5 | Confident | 86.6 | Confident | 35 Ų | 35 | 27 Ų | 27 | 19% | 0.187 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -79.1 | -51.1 | -177.8 | -60.1 | -23.3 | 0 | 0 | 0 | 112.4 | D212 S213 R220 R566 | D212-D217 PolarHBondContact O-N 3.46Å; D212-D217 VanDerWaalsContact O-N 3.16Å; S213-D217 VanDerWaalsContact O-CB 3.31Å; S213-D217 WeakPolarHBondContact O-CB 3.4Å; S213-D217 PolarHBondContact O-N 3.3Å; D217-R220 VanDerWaalsContact O-CD 3.29Å; D217-R220 WeakPolarHBondContact O-CD 3.18Å; D217-R220 VanDerWaalsContact O-CG 3.27Å; D217-R220 WeakPolarHBondContact O-CG 3.36Å; D217-R220 PolarHBondContact O-NE 2.78Å; D217-R566 IonicContact OD1-CZ 2.7Å; D217-R566 IonicContact OD1-NH2 2.75Å; D217-R566 PolarHBondContact OD1-NH2 2.91Å; D217-R566 IonicContact OD2-CZ 2.81Å; D217-R566 IonicContact OD2-NH2 2.77Å; D217-R566 PolarHBondContact OD2-NH2 2.86Å |
| 218 | E | 81.4 | Confident | 85.3 | Confident | 50 Ų | 50 | 30.3 Ų | 30.3 | 23% | 0.234 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -81.6 | -19 | -175.7 | -69.6 | 176 | -163.4 | 0 | 0 | 113.1 | V131 N179 S213 R220 F377 | V131-E218 WeakPolarHBondContact CG1-OE1 3.33Å; N179-E218 PolarHBondContact ND2-OE2 3.34Å; N179-E218 PolarHBondContact OD1-OE2 2.84Å; S213-E218 WeakPolarHBondContact O-CG 3.41Å; S213-E218 PolarHBondContact O-N 3.09Å; E218-R220 PolarHBondContact O-N 3.23Å; E218-F377 HydrophobicContact CB-CD2 4.25Å; E218-F377 HydrophobicContact CB-CE2 4.19Å; E218-F377 WeakPolarHBondContact O-CD2 3.11Å |
| 219 | A | 79.1 | Confident | 84 | Confident | 8 Ų | 8 | 30.9 Ų | 30.9 | 7% | 0.066 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -61.4 | 0.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I214 L215 F377 Q378 | I214-A219 PolarHBondContact O-N 3.19Å; L215-A219 VanDerWaalsContact O-CB 3.3Å; L215-A219 WeakPolarHBondContact O-CB 3.27Å; A219-F377 HydrophobicContact CB-CB 4.41Å; A219-Q378 HydrophobicContact CB-CG 4Å |
| 220 | R | 72.3 | Confident | 82.7 | Confident | 161 Ų | 161 | 37.1 Ų | 37.1 | 61% | 0.608 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -79.6 | -37 | -176.4 | -65.1 | 175.1 | -169.9 | -170 | 4.5 | 113.6 | D217 E218 | D217-R220 VanDerWaalsContact O-CD 3.29Å; D217-R220 WeakPolarHBondContact O-CD 3.18Å; D217-R220 VanDerWaalsContact O-CG 3.27Å; D217-R220 WeakPolarHBondContact O-CG 3.36Å; D217-R220 PolarHBondContact O-NE 2.78Å; E218-R220 PolarHBondContact O-N 3.23Å |
| 221 | T | 73.2 | Confident | 81.4 | Confident | 102 Ų | 102 | 41.5 Ų | 41.5 | 63% | 0.626 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -108.6 | 128.8 | -176.8 | -51.5 | 0 | 0 | 0 | 0 | 108.4 | ||
| 222 | P | 84.8 | Confident | 80.2 | Confident | 47 Ų | 47 | 42.7 Ų | 42.7 | 31% | 0.305 | 23% | 0.23 | S | C | . | . | trans | -66.4 | 151.5 | 174.6 | 27.6 | -33.7 | 0 | 0 | 0 | 111.3 | I224 T376 | P222-I224 HydrophobicContact CB-CG1 4.37Å; P222-I224 HydrophobicContact CG-CD1 4.08Å; P222-I224 HydrophobicContact CG-CG1 4.18Å; P222-T376 HydrophobicContact CB-CG2 4.04Å | ||
| 223 | L | 90 | Very high | 79.7 | Confident | 11 Ų | 11 | 43 Ų | 43 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 128.8 | 164.3 | -65.3 | -179.5 | 0 | 0 | 0 | 108.8 | F184 L187 S374 I375 F377 | F184-L223 HydrophobicContact CD2-CD2 4.34Å; F184-L223 HydrophobicContact CE1-CB 4.21Å; F184-L223 HydrophobicContact CE1-CD2 4.46Å; F184-L223 HydrophobicContact CE2-CD2 3.75Å; F184-L223 HydrophobicContact CZ-CB 4.36Å; F184-L223 HydrophobicContact CZ-CD2 3.82Å; L187-L223 HydrophobicContact CD1-CB 4.21Å; L223-S374 CarbonylContact O-C 3.54Å; L223-S374 WeakPolarHBondContact O-CA 3.22Å; L223-S374 PolarHBondContact O-OG 2.99Å; L223-I375 HydrophobicContact CB-CG2 4.33Å; L223-I375 WeakPolarHBondContact CB-O 3.16Å; L223-I375 PolarHBondContact N-O 3.18Å; L223-I375 PolarHBondContact O-N 2.94Å; L223-F377 HydrophobicContact CD1-CD1 4.33Å; L223-F377 HydrophobicContact CD1-CE1 3.55Å; L223-F377 HydrophobicContact CD1-CZ 3.88Å; L223-F377 HydrophobicContact CD2-CE1 4.2Å; L223-F377 HydrophobicContact CD2-CE2 4.31Å; L223-F377 HydrophobicContact CD2-CZ 3.63Å; L223-F377 HydrophobicContact CG-CE1 3.91Å; L223-F377 HydrophobicContact CG-CE2 4.45Å; L223-F377 HydrophobicContact CG-CZ 3.77Å |
| 224 | I | 86.8 | Confident | 79.6 | Confident | 69 Ų | 69 | 48.2 Ų | 48.2 | 35% | 0.354 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 127.3 | -175.3 | -59.6 | 176.7 | 0 | 0 | 0 | 109 | F184 P222 T371 A373 | F184-I224 WeakPolarHBondContact CE1-O 3.39Å; P222-I224 HydrophobicContact CB-CG1 4.37Å; P222-I224 HydrophobicContact CG-CD1 4.08Å; P222-I224 HydrophobicContact CG-CG1 4.18Å; I224-T371 HydrophobicContact CG2-CG2 3.84Å; I224-A373 WeakPolarHBondContact CA-O 3.25Å |
| 225 | I | 84.5 | Confident | 79.5 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 115.9 | 163.2 | -62.5 | -178.4 | 0 | 0 | 0 | 106.9 | F184 L187 R188 M191 L372 A373 Q855 | F184-I225 HydrophobicContact CD1-CD1 4.49Å; F184-I225 HydrophobicContact CD1-CG1 3.94Å; F184-I225 HydrophobicContact CE1-CG1 4.23Å; L187-I225 HydrophobicContact CB-CD1 3.52Å; L187-I225 HydrophobicContact CB-CG1 4.21Å; L187-I225 HydrophobicContact CD1-CD1 4.28Å; L187-I225 HydrophobicContact CD1-CG1 4.03Å; R188-I225 HydrophobicContact CG-CD1 3.83Å; M191-I225 HydrophobicContact CE-CG2 4.44Å; M191-I225 HydrophobicContact SD-CB 4.46Å; M191-I225 HydrophobicContact SD-CD1 3.92Å; M191-I225 HydrophobicContact SD-CG2 4.23Å; I225-L372 HydrophobicContact CG2-CB 4.38Å; I225-L372 HydrophobicContact CG2-CD1 4.34Å; I225-L372 WeakPolarHBondContact O-CB 3.46Å; I225-L372 PolarHBondContact O-N 3.11Å; I225-A373 HydrophobicContact CB-CB 4.4Å; I225-A373 PolarHBondContact N-O 3.39Å; I225-A373 PolarHBondContact O-N 3.42Å; I225-Q855 HydrophobicContact CG2-CG 4.27Å |
| 226 | S | 82 | Confident | 79.4 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 32% | 0.315 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 148.9 | 174.6 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | Q370 | S226-Q370 VanDerWaalsContact CA-O 3.3Å; S226-Q370 WeakPolarHBondContact CA-O 3.31Å |
| 227 | G | 77.5 | Confident | 79.6 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 9% | 0.093 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 174.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | A229 N369 Q370 | G227-A229 PolarHBondContact O-N 3.1Å; G227-N369 CarbonylContact O-C 3.42Å; G227-N369 WeakPolarHBondContact O-CA 3.33Å; G227-Q370 PolarHBondContact N-O 2.85Å; G227-Q370 PolarHBondContact O-N 3.07Å |
| 228 | P | 71.1 | Confident | 80 | Confident | 69 Ų | 69 | 56.3 Ų | 56.3 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 131 | 175.3 | 27.7 | -33 | 0 | 0 | 0 | 109.3 | N367 | P228-N367 HydrophobicContact CB-CB 4.46Å |
| 229 | A | 70.8 | Confident | 80.5 | Confident | 13 Ų | 13 | 54 Ų | 54 | 11% | 0.107 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 158.6 | 165 | 0 | 0 | 0 | 0 | 0 | 109.6 | G227 N367 E368 Q370 | G227-A229 PolarHBondContact O-N 3.1Å; A229-N367 PolarHBondContact O-ND2 3.17Å; A229-E368 HydrophobicContact CB-CB 3.96Å; A229-E368 WeakPolarHBondContact CB-O 3.46Å; A229-E368 PolarHBondContact N-O 3.1Å; A229-Q370 HydrophobicContact CB-CB 3.95Å |
| 230 | E | 66 | Low | 81.2 | Confident | 142 Ų | 142 | 55 Ų | 55 | 66% | 0.664 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -56 | 155.8 | 162.8 | -68.7 | -167.2 | 168.4 | 0 | 0 | 110.5 | S232 | E230-S232 PolarHBondContact O-N 3.19Š|
| 231 | D | 65.3 | Low | 82.2 | Confident | 103 Ų | 103 | 53.1 Ų | 53.1 | 55% | 0.551 | 28% | 0.279 | S | S | * | . | trans | -67.3 | 91.4 | -175.2 | -174.4 | 7.4 | 0 | 0 | 0 | 111.4 | S233 | D231-S233 VanDerWaalsContact CG-OG 3.28Å; D231-S233 PolarHBondContact O-N 3.02Å; D231-S233 WeakPolarHBondContact OD1-CA 3.29Å; D231-S233 WeakPolarHBondContact OD1-CB 3.3Å; D231-S233 PolarHBondContact OD1-N 3.07Å; D231-S233 PolarHBondContact OD1-OG 3.44Å; D231-S233 PolarHBondContact OD2-OG 2.98Å | ||
| 232 | S | 68.4 | Low | 83.1 | Confident | 24 Ų | 24 | 48.5 Ų | 48.5 | 17% | 0.168 | 25% | 0.25 | C | S | . | . | trans | -82.3 | 8 | 171.9 | 61.7 | 0 | 0 | 0 | 0 | 112.9 | E230 E234 M235 Y236 E368 | E230-S232 PolarHBondContact O-N 3.19Å; S232-E234 PolarHBondContact O-N 3Å; S232-M235 PolarHBondContact O-N 3Å; S232-Y236 WeakPolarHBondContact O-CD2 3.44Å; S232-Y236 PolarHBondContact O-N 3.06Å; S232-Y236 WeakPolarHBondContact OG-CE2 3.41Å; S232-E368 PolarHBondContact OG-OE1 3.49Å | ||
| 233 | S | 80.6 | Confident | 83.6 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 6% | 0.056 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.4 | -35.6 | -176.1 | 70.1 | 0 | 0 | 0 | 0 | 112.6 | D231 Y236 K237 I365 | D231-S233 VanDerWaalsContact CG-OG 3.28Å; D231-S233 PolarHBondContact O-N 3.02Å; D231-S233 WeakPolarHBondContact OD1-CA 3.29Å; D231-S233 WeakPolarHBondContact OD1-CB 3.3Å; D231-S233 PolarHBondContact OD1-N 3.07Å; D231-S233 PolarHBondContact OD1-OG 3.44Å; D231-S233 PolarHBondContact OD2-OG 2.98Å; S233-Y236 PolarHBondContact O-N 3.02Å; S233-K237 VanDerWaalsContact O-CG 3.25Å; S233-K237 WeakPolarHBondContact O-CG 3.46Å; S233-K237 PolarHBondContact O-N 3.06Å; S233-I365 WeakPolarHBondContact O-CD1 3.29Å |
| 234 | E | 84.5 | Confident | 83.7 | Confident | 108 Ų | 108 | 50 Ų | 50 | 51% | 0.505 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 176.8 | -72.7 | -55.2 | 124.2 | 0 | 0 | 112.3 | S232 K237 R238 | S232-E234 PolarHBondContact O-N 3Å; E234-K237 PolarHBondContact O-N 2.72Å; E234-K237 IonicContact OE1-NZ 2.8Å; E234-K237 PolarHBondContact OE1-NZ 3.45Å; E234-R238 WeakPolarHBondContact O-CB 3.37Å; E234-R238 WeakPolarHBondContact O-CG 3.35Å; E234-R238 PolarHBondContact O-N 2.88Å |
| 235 | M | 87.4 | Confident | 84 | Confident | 55 Ų | 55 | 52.2 Ų | 52.2 | 27% | 0.271 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 177.2 | -73.9 | -60.2 | -69.2 | 0 | 0 | 111.7 | S232 K237 R238 V239 I291 L306 | S232-M235 PolarHBondContact O-N 3Å; M235-K237 VanDerWaalsContact C-N 3.35Å; M235-K237 PolarHBondContact O-N 3Å; M235-R238 PolarHBondContact O-N 2.83Å; M235-V239 WeakPolarHBondContact O-CB 3.29Å; M235-V239 WeakPolarHBondContact O-CG2 3.35Å; M235-V239 PolarHBondContact O-N 3.16Å; M235-I291 HydrophobicContact CE-CG2 3.78Å; M235-L306 HydrophobicContact CE-CD1 3.78Å |
| 236 | Y | 90.7 | Very high | 84.5 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 173.8 | -77 | -71 | 0 | 0 | 0 | 112.5 | S232 S233 R238 N240 H309 A312 G352 Q355 A356 E368 | S232-Y236 WeakPolarHBondContact O-CD2 3.44Å; S232-Y236 PolarHBondContact O-N 3.06Å; S232-Y236 WeakPolarHBondContact OG-CE2 3.41Å; S233-Y236 PolarHBondContact O-N 3.02Å; Y236-R238 VanDerWaalsContact C-N 3.35Å; Y236-R238 PolarHBondContact O-N 3.05Å; Y236-N240 WeakPolarHBondContact O-CB 3.45Å; Y236-N240 PolarHBondContact O-N 3.03Å; Y236-H309 AromaticContact CE1-ND1 3.51Å; Y236-H309 AromaticContact CE2-CE1 3.81Å; Y236-H309 AromaticContact CE2-ND1 3.75Å; Y236-H309 AromaticContact CZ-CE1 3.69Å; Y236-H309 AromaticContact CZ-ND1 3.26Å; Y236-H309 VanDerWaalsContact CZ-ND1 3.26Å; Y236-H309 PolarHBondContact OH-ND1 3.17Å; Y236-A312 HydrophobicContact CE1-CB 4.46Å; Y236-G352 WeakPolarHBondContact CE1-O 3.4Å; Y236-G352 WeakPolarHBondContact OH-CA 3.21Å; Y236-Q355 HydrophobicContact CD1-CB 4.27Å; Y236-Q355 HydrophobicContact CD2-CB 3.74Å; Y236-Q355 HydrophobicContact CE1-CB 4.06Å; Y236-Q355 HydrophobicContact CE2-CB 3.5Å; Y236-Q355 VanDerWaalsContact CE2-CB 3.5Å; Y236-Q355 HydrophobicContact CE2-CG 4.12Å; Y236-Q355 HydrophobicContact CG-CB 4.13Å; Y236-A356 HydrophobicContact CD1-CB 4.06Å; Y236-A356 HydrophobicContact CE1-CB 4.07Å; Y236-E368 WeakPolarHBondContact CE2-OE1 3.28Å; Y236-E368 PolarHBondContact OH-OE1 3.19Å |
| 237 | K | 91.3 | Very high | 85 | Confident | 81 Ų | 81 | 55.5 Ų | 55.5 | 35% | 0.352 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 177.3 | -71.5 | 170.3 | -156.4 | 162.7 | 0 | 111.9 | S233 E234 M235 K241 I365 | S233-K237 VanDerWaalsContact O-CG 3.25Å; S233-K237 WeakPolarHBondContact O-CG 3.46Å; S233-K237 PolarHBondContact O-N 3.06Å; E234-K237 PolarHBondContact O-N 2.72Å; E234-K237 IonicContact OE1-NZ 2.8Å; E234-K237 PolarHBondContact OE1-NZ 3.45Å; M235-K237 VanDerWaalsContact C-N 3.35Å; M235-K237 PolarHBondContact O-N 3Å; K237-K241 WeakPolarHBondContact O-CG 3.31Å; K237-K241 PolarHBondContact O-N 3Å; K237-I365 HydrophobicContact CG-CD1 3.86Å |
| 238 | R | 91.8 | Very high | 85.7 | Confident | 72 Ų | 72 | 60.7 Ų | 60.7 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68 | -50.7 | 179.4 | -72.4 | 178 | 77 | -172.2 | 4.5 | 111.4 | E234 M235 Y236 N240 K241 E289 G290 I291 | E234-R238 WeakPolarHBondContact O-CB 3.37Å; E234-R238 WeakPolarHBondContact O-CG 3.35Å; E234-R238 PolarHBondContact O-N 2.88Å; M235-R238 PolarHBondContact O-N 2.83Å; Y236-R238 VanDerWaalsContact C-N 3.35Å; Y236-R238 PolarHBondContact O-N 3.05Å; R238-N240 VanDerWaalsContact C-N 3.29Å; R238-N240 PolarHBondContact O-N 3.25Å; R238-K241 WeakPolarHBondContact O-CB 3.32Å; R238-K241 PolarHBondContact O-N 3.27Å; R238-K241 VanDerWaalsContact O-N 3.1Å; R238-E289 PolarHBondContact NH2-O 2.94Å; R238-G290 VanDerWaalsContact NH2-C 3.25Å; R238-G290 PolarHBondContact NH2-O 2.71Å; R238-I291 HydrophobicContact CB-CD1 3.91Å; R238-I291 VanDerWaalsContact CZ-CG1 3.45Å; R238-I291 VanDerWaalsContact NH2-CG1 3.34Å |
| 239 | V | 92.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 177.7 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | M235 K241 I242 I243 L306 H309 V310 A313 | M235-V239 WeakPolarHBondContact O-CB 3.29Å; M235-V239 WeakPolarHBondContact O-CG2 3.35Å; M235-V239 PolarHBondContact O-N 3.16Å; V239-K241 PolarHBondContact O-N 3.18Å; V239-K241 VanDerWaalsContact O-N 3.16Å; V239-I242 WeakPolarHBondContact O-CB 3.34Å; V239-I242 PolarHBondContact O-N 3.03Å; V239-I243 HydrophobicContact CG1-CD1 4.33Å; V239-I243 HydrophobicContact CG1-CG1 4.41Å; V239-I243 PolarHBondContact O-N 3.02Å; V239-L306 HydrophobicContact CG2-CD1 4.14Å; V239-H309 HydrophobicContact CG2-CB 4.22Å; V239-V310 HydrophobicContact CG1-CB 4.46Å; V239-V310 HydrophobicContact CG1-CG2 3.97Å; V239-A313 HydrophobicContact CG1-CB 3.75Å |
| 240 | N | 94 | Very high | 87.2 | Confident | 29 Ų | 29 | 64.2 Ų | 64.2 | 16% | 0.155 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.4 | -27.4 | 176.2 | -178.7 | 58.9 | 0 | 0 | 0 | 113.5 | Y236 R238 I242 P244 H317 A359 K360 | Y236-N240 WeakPolarHBondContact O-CB 3.45Å; Y236-N240 PolarHBondContact O-N 3.03Å; R238-N240 VanDerWaalsContact C-N 3.29Å; R238-N240 PolarHBondContact O-N 3.25Å; N240-I242 VanDerWaalsContact C-N 3.3Å; N240-P244 WeakPolarHBondContact O-CD 3.49Å; N240-H317 PolarHBondContact OD1-NE2 3.4Å; N240-A359 HydrophobicContact CB-CB 4.21Å; N240-A359 PolarHBondContact ND2-O 2.57Å; N240-K360 WeakPolarHBondContact OD1-CA 3.35Å |
| 241 | K | 92.8 | Very high | 88.1 | Confident | 122 Ų | 122 | 62.9 Ų | 62.9 | 53% | 0.53 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -72.7 | -24.3 | 174.7 | -64.8 | 170.8 | -173 | 174.9 | 0 | 112.8 | K237 R238 V239 H245 | K237-K241 WeakPolarHBondContact O-CG 3.31Å; K237-K241 PolarHBondContact O-N 3Å; R238-K241 WeakPolarHBondContact O-CB 3.32Å; R238-K241 PolarHBondContact O-N 3.27Å; R238-K241 VanDerWaalsContact O-N 3.1Å; V239-K241 PolarHBondContact O-N 3.18Å; V239-K241 VanDerWaalsContact O-N 3.16Å; K241-H245 PolarHBondContact O-CE1 3.29Å; K241-H245 PolarHBondContact O-ND1 2.86Å |
| 242 | I | 92.9 | Very high | 88.9 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -81 | -47.2 | -177.1 | -63.9 | 174.2 | 0 | 0 | 0 | 110.4 | V239 N240 P244 H245 L285 L286 E289 I291 | V239-I242 WeakPolarHBondContact O-CB 3.34Å; V239-I242 PolarHBondContact O-N 3.03Å; N240-I242 VanDerWaalsContact C-N 3.3Å; I242-P244 VanDerWaalsContact C-CD 3.43Å; I242-P244 VanDerWaalsContact O-N 3.15Å; I242-H245 WeakPolarHBondContact O-CB 3.2Å; I242-H245 PolarHBondContact O-N 3.15Å; I242-H245 PolarHBondContact O-ND1 3.32Å; I242-H245 VanDerWaalsContact O-ND1 3.1Å; I242-L285 HydrophobicContact CD1-CB 4.46Å; I242-L285 HydrophobicContact CG1-CB 4.36Å; I242-L285 HydrophobicContact CG2-CB 3.71Å; I242-L285 HydrophobicContact CG2-CD1 3.75Å; I242-L285 HydrophobicContact CG2-CG 4.38Å; I242-L286 HydrophobicContact CD1-CD2 3.57Å; I242-L286 HydrophobicContact CD1-CG 4.08Å; I242-E289 HydrophobicContact CD1-CG 4.17Å; I242-E289 HydrophobicContact CG1-CG 4.18Å; I242-I291 HydrophobicContact CD1-CD1 3.86Å |
| 243 | I | 94.3 | Very high | 89.5 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -51.2 | -40.7 | -172 | -57.7 | -52.5 | 0 | 0 | 0 | 114.7 | V239 H245 L246 V310 A313 L314 H317 | V239-I243 HydrophobicContact CG1-CD1 4.33Å; V239-I243 HydrophobicContact CG1-CG1 4.41Å; V239-I243 PolarHBondContact O-N 3.02Å; I243-H245 PolarHBondContact O-N 3.3Å; I243-L246 HydrophobicContact CD1-CD1 4.04Å; I243-L246 WeakPolarHBondContact O-CB 3.26Å; I243-L246 WeakPolarHBondContact O-CG 3.48Å; I243-L246 PolarHBondContact O-N 3.03Å; I243-V310 HydrophobicContact CD1-CG1 4.41Å; I243-A313 HydrophobicContact CD1-CB 4.11Å; I243-A313 HydrophobicContact CG1-CB 3.58Å; I243-L314 HydrophobicContact CD1-CB 4.23Å; I243-L314 HydrophobicContact CG2-CD1 3.91Å; I243-H317 HydrophobicContact CG2-CB 3.7Å |
| 244 | P | 93.6 | Very high | 89.6 | Confident | 86 Ų | 86 | 67.2 Ų | 67.2 | 56% | 0.558 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -60.4 | -16.8 | 178.4 | -27.2 | 36.4 | 0 | 0 | 0 | 115.6 | N240 I242 L246 | N240-P244 WeakPolarHBondContact O-CD 3.49Å; I242-P244 VanDerWaalsContact C-CD 3.43Å; I242-P244 VanDerWaalsContact O-N 3.15Å; P244-L246 VanDerWaalsContact C-N 3.27Å |
| 245 | H | 92.4 | Very high | 89.4 | Confident | 115 Ų | 115 | 72.1 Ų | 72.1 | 53% | 0.532 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -80.6 | -8.5 | 175.8 | -58.5 | 91.1 | 0 | 0 | 0 | 112.8 | K241 I242 I243 L285 | K241-H245 PolarHBondContact O-CE1 3.29Å; K241-H245 PolarHBondContact O-ND1 2.86Å; I242-H245 WeakPolarHBondContact O-CB 3.2Å; I242-H245 PolarHBondContact O-N 3.15Å; I242-H245 PolarHBondContact O-ND1 3.32Å; I242-H245 VanDerWaalsContact O-ND1 3.1Å; I243-H245 PolarHBondContact O-N 3.3Å; H245-L285 HydrophobicContact CB-CD1 3.86Å |
| 246 | L | 93.6 | Very high | 89.1 | Confident | 16 Ų | 16 | 76 Ų | 76 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | trans | -86 | 138.1 | -179.3 | -54.8 | 176.7 | 0 | 0 | 0 | 111.1 | I243 P244 H262 F263 L281 I282 L314 | I243-L246 HydrophobicContact CD1-CD1 4.04Å; I243-L246 WeakPolarHBondContact O-CB 3.26Å; I243-L246 WeakPolarHBondContact O-CG 3.48Å; I243-L246 PolarHBondContact O-N 3.03Å; P244-L246 VanDerWaalsContact C-N 3.27Å; L246-H262 HydrophobicContact CB-CB 4.13Å; L246-H262 HydrophobicContact CD2-CB 4.01Å; L246-F263 HydrophobicContact CB-CD1 3.91Å; L246-F263 HydrophobicContact CB-CE1 3.98Å; L246-L281 HydrophobicContact CD2-CD2 3.94Å; L246-L281 HydrophobicContact CD2-CG 4.33Å; L246-I282 HydrophobicContact CD1-CD1 3.62Å; L246-I282 HydrophobicContact CD1-CG1 3.84Å; L246-I282 HydrophobicContact CD2-CD1 4.18Å; L246-I282 HydrophobicContact CD2-CG1 3.65Å; L246-I282 HydrophobicContact CG-CG1 4.34Å; L246-L314 HydrophobicContact CD1-CD1 4.1Å | ||
| 247 | I | 93.5 | Very high | 88.8 | Confident | 102 Ų | 102 | 78.9 Ų | 78.9 | 52% | 0.523 | 38% | 0.384 | S | S | . | . | trans | -105 | 125.3 | -177 | -60.2 | 173.7 | 0 | 0 | 0 | 107.8 | G261 H262 F263 | I247-G261 CarbonylContact O-C 3.19Å; I247-G261 WeakPolarHBondContact O-CA 3.33Å; I247-H262 PolarHBondContact N-ND1 2.98Å; I247-H262 PolarHBondContact O-N 3.43Å; I247-F263 PolarHBondContact O-N 2.8Å | ||
| 248 | R | 92.9 | Very high | 88.3 | Confident | 118 Ų | 118 | 82.6 Ų | 82.6 | 45% | 0.445 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -73 | 134.7 | 175.1 | -175.8 | 175.5 | 171.8 | 179.1 | -3 | 110.2 | F263 V265 E267 | R248-F263 WeakPolarHBondContact CA-O 3.3Å; R248-F263 HydrophobicContact CB-CE1 3.91Å; R248-F263 HydrophobicContact CB-CE2 3.97Å; R248-F263 HydrophobicContact CB-CZ 3.57Å; R248-F263 HydrophobicContact CG-CE2 3.96Å; R248-F263 HydrophobicContact CG-CZ 4.08Å; R248-V265 HydrophobicContact CG-CG2 4.41Å; R248-E267 IonicContact NH2-OE1 3.68Å; R248-E267 PolarHBondContact NH2-OE1 3.1Å |
| 249 | Q | 91.5 | Very high | 88 | Confident | 12 Ų | 12 | 79.9 Ų | 79.9 | 6% | 0.056 | 40% | 0.397 | C | S | . | . | trans | -106.5 | 162.4 | 164.6 | 57 | 179.9 | 54.5 | 0 | 0 | 112.4 | K251 D253 G261 F263 T275 R277 | Q249-K251 WeakPolarHBondContact CG-O 3.43Å; Q249-K251 PolarHBondContact NE2-O 3.45Å; Q249-D253 PolarHBondContact NE2-OD1 3.03Å; Q249-G261 VanDerWaalsContact OE1-CA 3.32Å; Q249-G261 PolarHBondContact OE1-O 3.28Å; Q249-G261 VanDerWaalsContact OE1-O 3.12Å; Q249-F263 WeakPolarHBondContact CG-O 3.1Å; Q249-F263 PolarHBondContact N-O 2.91Å; Q249-T275 HydrophobicContact CG-CG2 4.37Å; Q249-R277 VanDerWaalsContact OE1-NH2 3.12Å | ||
| 250 | E | 82 | Confident | 87.8 | Confident | 144 Ų | 144 | 88.6 Ų | 88.6 | 67% | 0.673 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -65.6 | -42.9 | -173.3 | -165.9 | -167.5 | 145.4 | 0 | 0 | 112.9 | F257 | E250-F257 HydrophobicContact CB-CZ 4.26Š|
| 251 | K | 83.8 | Confident | 87.6 | Confident | 114 Ų | 114 | 87.4 Ų | 87.4 | 50% | 0.496 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -140.6 | 162.8 | -174.9 | -64.5 | 175.5 | -172.4 | 157.6 | 0 | 110.4 | Q249 F257 | Q249-K251 WeakPolarHBondContact CG-O 3.43Å; Q249-K251 PolarHBondContact NE2-O 3.45Å; K251-F257 HydrophobicContact CB-CD1 3.87Å; K251-F257 HydrophobicContact CB-CE1 3.84Å; K251-F257 HydrophobicContact CB-CG 4.47Å; K251-F257 HydrophobicContact CB-CZ 4.4Å; K251-F257 WeakPolarHBondContact O-CE1 3.32Å |
| 252 | E | 82.1 | Confident | 87.6 | Confident | 112 Ų | 112 | 83 Ų | 83 | 52% | 0.523 | 41% | 0.413 | S | S | . | . | trans | -64.5 | 148.4 | 171.3 | -163.9 | 170.9 | 160.9 | 0 | 0 | 110.5 | S254 S264 N273 | E252-S254 PolarHBondContact O-N 2.79Å; E252-S264 WeakPolarHBondContact CA-OG 3.42Å; E252-N273 PolarHBondContact OE2-ND2 2.85Å | ||
| 253 | D | 81.6 | Confident | 87.7 | Confident | 51 Ų | 51 | 83.5 Ų | 83.5 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | trans | -63.2 | 135.3 | 175.9 | -79.4 | -0.4 | 0 | 0 | 0 | 109.8 | Q249 F257 G259 R277 | Q249-D253 PolarHBondContact NE2-OD1 3.03Å; D253-F257 CarbonylContact C-O 3.56Å; D253-F257 WeakPolarHBondContact CA-O 3.45Å; D253-G259 PolarHBondContact OD1-N 2.93Å; D253-R277 IonicContact OD1-NH2 3.94Å; D253-R277 PolarHBondContact OD1-NH2 2.89Å; D253-R277 IonicContact OD2-CZ 3.71Å; D253-R277 IonicContact OD2-NH1 2.82Å; D253-R277 PolarHBondContact OD2-NH1 3.05Å; D253-R277 VanDerWaalsContact OD2-NH1 3.15Å; D253-R277 IonicContact OD2-NH2 3.1Å; D253-R277 PolarHBondContact OD2-NH2 3.18Å | ||
| 254 | S | 83.1 | Confident | 87.5 | Confident | 64 Ų | 64 | 83.4 Ų | 83.4 | 45% | 0.448 | 42% | 0.415 | S | S | . | . | B | Isolated β-bridge | trans | -147.2 | 172 | -179.8 | 68.3 | 0 | 0 | 0 | 0 | 110 | E252 T256 F257 | E252-S254 PolarHBondContact O-N 2.79Å; S254-T256 PolarHBondContact O-N 2.75Å; S254-T256 PolarHBondContact OG-N 3.37Å; S254-T256 PolarHBondContact OG-OG1 2.85Å; S254-F257 PolarHBondContact N-O 2.84Å; S254-F257 CarbonylContact O-C 3.46Å; S254-F257 PolarHBondContact O-N 2.98Å; S254-F257 PolarHBondContact OG-N 3.39Å |
| 255 | E | 79.2 | Confident | 87.4 | Confident | 211 Ų | 211 | 80.1 Ų | 80.1 | 99% | 0.986 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -23.6 | 173.7 | -65.7 | -175.5 | 174.6 | 0 | 0 | 113.6 | ||
| 256 | T | 82.2 | Confident | 87 | Confident | 136 Ų | 136 | 77.8 Ų | 77.8 | 83% | 0.834 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -10 | -175.8 | 61.2 | 0 | 0 | 0 | 0 | 114.7 | S254 | S254-T256 PolarHBondContact O-N 2.75Å; S254-T256 PolarHBondContact OG-N 3.37Å; S254-T256 PolarHBondContact OG-OG1 2.85Å |
| 257 | F | 83.5 | Confident | 86.5 | Confident | 62 Ų | 62 | 83.4 Ų | 83.4 | 27% | 0.272 | 41% | 0.411 | S | S | . | . | B | Isolated β-bridge | trans | -148.1 | 121.5 | -175.3 | 177.7 | -92.9 | 0 | 0 | 0 | 109.4 | E250 K251 D253 S254 | E250-F257 HydrophobicContact CB-CZ 4.26Å; K251-F257 HydrophobicContact CB-CD1 3.87Å; K251-F257 HydrophobicContact CB-CE1 3.84Å; K251-F257 HydrophobicContact CB-CG 4.47Å; K251-F257 HydrophobicContact CB-CZ 4.4Å; K251-F257 WeakPolarHBondContact O-CE1 3.32Å; D253-F257 CarbonylContact C-O 3.56Å; D253-F257 WeakPolarHBondContact CA-O 3.45Å; S254-F257 PolarHBondContact N-O 2.84Å; S254-F257 CarbonylContact O-C 3.46Å; S254-F257 PolarHBondContact O-N 2.98Å; S254-F257 PolarHBondContact OG-N 3.39Å |
| 258 | Q | 81.6 | Confident | 85.8 | Confident | 159 Ų | 159 | 88.2 Ų | 88.2 | 74% | 0.743 | 43% | 0.428 | S | S | * | . | trans | -128.1 | 114.8 | 173.5 | -162.4 | 167.5 | 23.9 | 0 | 0 | 107.6 | ||||
| 259 | G | 84.1 | Confident | 85 | Confident | 15 Ų | 15 | 85 Ų | 85 | 16% | 0.155 | 42% | 0.424 | C | S | . | . | trans | -85.8 | -178.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D253 R277 | D253-G259 PolarHBondContact OD1-N 2.93Å; G259-R277 PolarHBondContact O-NH1 3.44Å; G259-R277 PolarHBondContact O-NH2 2.77Å | ||
| 260 | E | 88.1 | Confident | 84.5 | Confident | 183 Ų | 183 | 88.3 Ų | 88.3 | 86% | 0.855 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -108.7 | 2.8 | 166.9 | -65.2 | -175 | 168.9 | 0 | 0 | 111.9 | ||
| 261 | G | 90 | Very high | 84.5 | Confident | 3 Ų | 3 | 86.7 Ų | 86.7 | 3% | 0.031 | 43% | 0.428 | C | S | . | . | trans | -79.6 | 171.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I247 Q249 T275 R277 | I247-G261 CarbonylContact O-C 3.19Å; I247-G261 WeakPolarHBondContact O-CA 3.33Å; Q249-G261 VanDerWaalsContact OE1-CA 3.32Å; Q249-G261 PolarHBondContact OE1-O 3.28Å; Q249-G261 VanDerWaalsContact OE1-O 3.12Å; G261-T275 PolarHBondContact O-OG1 2.66Å; G261-R277 PolarHBondContact O-NE 2.83Å; G261-R277 PolarHBondContact O-NH2 2.9Å | ||
| 262 | H | 94.1 | Very high | 84.8 | Confident | 30 Ų | 30 | 82 Ų | 82 | 14% | 0.139 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -98.1 | -27.4 | -179.3 | -56.6 | 140 | 0 | 0 | 0 | 111.4 | L246 I247 T275 G278 L281 | L246-H262 HydrophobicContact CB-CB 4.13Å; L246-H262 HydrophobicContact CD2-CB 4.01Å; I247-H262 PolarHBondContact N-ND1 2.98Å; I247-H262 PolarHBondContact O-N 3.43Å; H262-T275 VanDerWaalsContact C-OG1 3.22Å; H262-T275 WeakPolarHBondContact CA-OG1 3.27Å; H262-T275 PolarHBondContact O-N 3.33Å; H262-T275 PolarHBondContact O-OG1 3.49Å; H262-G278 WeakPolarHBondContact O-CA 3.49Å; H262-L281 WeakPolarHBondContact CE1-CD2 3.42Å; H262-L281 WeakPolarHBondContact ND1-CD2 3.28Å |
| 263 | F | 93.5 | Very high | 85.1 | Confident | 15 Ų | 15 | 78.9 Ų | 78.9 | 7% | 0.066 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 157.3 | 178.1 | 73 | -81.1 | 0 | 0 | 0 | 112.7 | L246 I247 R248 Q249 V265 N273 L274 L314 A318 | L246-F263 HydrophobicContact CB-CD1 3.91Å; L246-F263 HydrophobicContact CB-CE1 3.98Å; I247-F263 PolarHBondContact O-N 2.8Å; R248-F263 WeakPolarHBondContact CA-O 3.3Å; R248-F263 HydrophobicContact CB-CE1 3.91Å; R248-F263 HydrophobicContact CB-CE2 3.97Å; R248-F263 HydrophobicContact CB-CZ 3.57Å; R248-F263 HydrophobicContact CG-CE2 3.96Å; R248-F263 HydrophobicContact CG-CZ 4.08Å; Q249-F263 WeakPolarHBondContact CG-O 3.1Å; Q249-F263 PolarHBondContact N-O 2.91Å; F263-V265 HydrophobicContact CD2-CG2 4.03Å; F263-V265 HydrophobicContact CE2-CG2 3.72Å; F263-N273 CarbonylContact C-O 3.56Å; F263-N273 VanDerWaalsContact CA-O 3.27Å; F263-N273 WeakPolarHBondContact CA-O 3.41Å; F263-N273 WeakPolarHBondContact CB-O 3.12Å; F263-L274 HydrophobicContact CB-CD2 4.13Å; F263-L314 HydrophobicContact CB-CD2 3.95Å; F263-L314 HydrophobicContact CD1-CD1 3.91Å; F263-L314 HydrophobicContact CD2-CD1 3.95Å; F263-L314 HydrophobicContact CD2-CD2 4.17Å; F263-L314 HydrophobicContact CD2-CG 4.29Å; F263-L314 HydrophobicContact CE1-CD1 3.89Å; F263-L314 HydrophobicContact CE2-CD1 3.93Å; F263-L314 HydrophobicContact CG-CD1 3.93Å; F263-L314 HydrophobicContact CG-CD2 4.02Å; F263-L314 HydrophobicContact CG-CG 4.44Å; F263-L314 HydrophobicContact CZ-CD1 3.88Å; F263-A318 HydrophobicContact CE2-CB 3.64Å; F263-A318 HydrophobicContact CZ-CB 4.15Å |
| 264 | S | 91.5 | Very high | 85.4 | Confident | 4 Ų | 4 | 78 Ų | 78 | 3% | 0.028 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 158.9 | 170.3 | 57.1 | 0 | 0 | 0 | 0 | 111.3 | E252 V272 N273 | E252-S264 WeakPolarHBondContact CA-OG 3.42Å; S264-V272 WeakPolarHBondContact O-CA 3.4Å; S264-N273 PolarHBondContact N-O 3.38Å; S264-N273 PolarHBondContact O-N 3.21Å |
| 265 | V | 90.2 | Very high | 85.7 | Confident | 17 Ų | 17 | 75.4 Ų | 75.4 | 10% | 0.103 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.4 | -178.9 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | R248 F263 E267 V272 A318 L319 | R248-V265 HydrophobicContact CG-CG2 4.41Å; F263-V265 HydrophobicContact CD2-CG2 4.03Å; F263-V265 HydrophobicContact CE2-CG2 3.72Å; V265-E267 HydrophobicContact CG1-CG 4.13Å; V265-V272 HydrophobicContact CG2-CG1 4.29Å; V265-A318 HydrophobicContact CG2-CB 3.97Å; V265-L319 HydrophobicContact CG1-CD2 3.31Å; V265-L319 HydrophobicContact CG1-CG 4Å |
| 266 | D | 86 | Confident | 86 | Confident | 66 Ų | 66 | 73.3 Ų | 73.3 | 35% | 0.353 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 99.5 | 166.4 | 179.5 | 4.8 | 0 | 0 | 0 | 109.1 | K268 S269 R270 Q271 | D266-K268 PolarHBondContact O-N 3.24Å; D266-K268 WeakPolarHBondContact OD1-CB 3.22Å; D266-K268 PolarHBondContact OD1-N 3.08Å; D266-S269 WeakPolarHBondContact CB-OG 3.44Å; D266-S269 PolarHBondContact O-N 3.32Å; D266-S269 PolarHBondContact OD1-N 3.33Å; D266-S269 WeakPolarHBondContact OD2-CB 3.26Å; D266-S269 PolarHBondContact OD2-OG 3.46Å; D266-R270 VanDerWaalsContact O-CA 3.32Å; D266-R270 WeakPolarHBondContact O-CA 3.47Å; D266-R270 PolarHBondContact O-N 3.22Å; D266-Q271 PolarHBondContact N-O 2.79Å; D266-Q271 PolarHBondContact O-N 3.16Å; D266-Q271 VanDerWaalsContact O-N 3.14Å |
| 267 | E | 82.8 | Confident | 86.3 | Confident | 134 Ų | 134 | 70.6 Ų | 70.6 | 63% | 0.626 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -23.2 | -179.7 | -66.5 | 178.7 | -174.2 | 0 | 0 | 112.6 | R248 V265 | R248-E267 IonicContact NH2-OE1 3.68Å; R248-E267 PolarHBondContact NH2-OE1 3.1Å; V265-E267 HydrophobicContact CG1-CG 4.13Å |
| 268 | K | 77.9 | Confident | 86.6 | Confident | 203 Ų | 203 | 67.6 Ų | 67.6 | 88% | 0.883 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -42.3 | 178.7 | -67.5 | -177.6 | 179.3 | 175.9 | 0 | 112.1 | D266 | D266-K268 PolarHBondContact O-N 3.24Å; D266-K268 WeakPolarHBondContact OD1-CB 3.22Å; D266-K268 PolarHBondContact OD1-N 3.08Å |
| 269 | S | 76.4 | Confident | 86.8 | Confident | 51 Ų | 51 | 61.4 Ų | 61.4 | 36% | 0.357 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -7.5 | 176.9 | 61.7 | 0 | 0 | 0 | 0 | 113 | D266 Q271 | D266-S269 WeakPolarHBondContact CB-OG 3.44Å; D266-S269 PolarHBondContact O-N 3.32Å; D266-S269 PolarHBondContact OD1-N 3.33Å; D266-S269 WeakPolarHBondContact OD2-CB 3.26Å; D266-S269 PolarHBondContact OD2-OG 3.46Å; S269-Q271 PolarHBondContact O-N 3.46Å; S269-Q271 WeakPolarHBondContact OG-CB 3.26Å |
| 270 | R | 80.4 | Confident | 87.1 | Confident | 81 Ų | 81 | 64.1 Ų | 64.1 | 31% | 0.306 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 46 | -170 | -62.2 | -179.6 | 83.1 | 161 | 8.1 | 111.1 | D266 L319 D325 E338 | D266-R270 VanDerWaalsContact O-CA 3.32Å; D266-R270 WeakPolarHBondContact O-CA 3.47Å; D266-R270 PolarHBondContact O-N 3.22Å; R270-L319 HydrophobicContact CB-CD1 4.36Å; R270-L319 WeakPolarHBondContact O-CD1 3.25Å; R270-D325 IonicContact NH2-OD1 3.74Å; R270-D325 PolarHBondContact NH2-OD1 2.62Å; R270-E338 IonicContact CZ-OE2 2.85Å; R270-E338 IonicContact NH1-OE2 2.73Å; R270-E338 PolarHBondContact NH1-OE2 3.5Å |
| 271 | Q | 83.4 | Confident | 87.3 | Confident | 109 Ų | 109 | 57.3 Ų | 57.3 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 156 | 177.6 | -65.9 | -174.5 | -11.5 | 0 | 0 | 111.6 | D266 S269 | D266-Q271 PolarHBondContact N-O 2.79Å; D266-Q271 PolarHBondContact O-N 3.16Å; D266-Q271 VanDerWaalsContact O-N 3.14Å; S269-Q271 PolarHBondContact O-N 3.46Å; S269-Q271 WeakPolarHBondContact OG-CB 3.26Å |
| 272 | V | 88.8 | Confident | 87.4 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 10% | 0.097 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133.8 | 174 | -60.5 | 0 | 0 | 0 | 0 | 108.1 | S264 V265 T311 L314 R315 A318 L319 | S264-V272 WeakPolarHBondContact O-CA 3.4Å; V265-V272 HydrophobicContact CG2-CG1 4.29Å; V272-T311 HydrophobicContact CG2-CG2 4.29Å; V272-L314 HydrophobicContact CB-CD2 4.02Å; V272-L314 HydrophobicContact CB-CG 4.12Å; V272-L314 HydrophobicContact CG1-CG 4.36Å; V272-L314 HydrophobicContact CG2-CB 4.14Å; V272-L314 HydrophobicContact CG2-CD2 3.76Å; V272-L314 HydrophobicContact CG2-CG 3.86Å; V272-R315 HydrophobicContact CB-CG 4.38Å; V272-R315 HydrophobicContact CG1-CG 3.99Å; V272-R315 HydrophobicContact CG2-CG 3.53Å; V272-A318 HydrophobicContact CG1-CB 4.03Å; V272-L319 HydrophobicContact CG1-CD1 3.87Å; V272-L319 HydrophobicContact CG1-CG 4.17Å |
| 273 | N | 88.4 | Confident | 87.3 | Confident | 46 Ų | 46 | 57.4 Ų | 57.4 | 25% | 0.246 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 124.7 | 179.8 | -62.3 | -18.6 | 0 | 0 | 0 | 108.4 | E252 F263 S264 | E252-N273 PolarHBondContact OE2-ND2 2.85Å; F263-N273 CarbonylContact C-O 3.56Å; F263-N273 VanDerWaalsContact CA-O 3.27Å; F263-N273 WeakPolarHBondContact CA-O 3.41Å; F263-N273 WeakPolarHBondContact CB-O 3.12Å; S264-N273 PolarHBondContact N-O 3.38Å; S264-N273 PolarHBondContact O-N 3.21Å |
| 274 | L | 88 | Confident | 87.2 | Confident | 33 Ų | 33 | 62.4 Ų | 62.4 | 17% | 0.173 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 137.6 | 172.2 | -70.5 | 177.1 | 0 | 0 | 0 | 110 | F263 I282 M307 L314 | F263-L274 HydrophobicContact CB-CD2 4.13Å; L274-I282 HydrophobicContact CD1-CD1 3.69Å; L274-I282 HydrophobicContact CD2-CD1 3.38Å; L274-I282 HydrophobicContact CG-CD1 4.2Å; L274-M307 HydrophobicContact CD1-CE 3.77Å; L274-M307 HydrophobicContact CD1-SD 4.45Å; L274-L314 HydrophobicContact CD2-CD2 3.62Å; L274-L314 HydrophobicContact CG-CD2 4.35Å |
| 275 | T | 89.1 | Confident | 87.2 | Confident | 10 Ų | 10 | 63.6 Ų | 63.6 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | trans | -81.8 | 163.6 | 166.3 | 65.7 | 0 | 0 | 0 | 0 | 110 | Q249 G261 H262 R277 G278 L279 | Q249-T275 HydrophobicContact CG-CG2 4.37Å; G261-T275 PolarHBondContact O-OG1 2.66Å; H262-T275 VanDerWaalsContact C-OG1 3.22Å; H262-T275 WeakPolarHBondContact CA-OG1 3.27Å; H262-T275 PolarHBondContact O-N 3.33Å; H262-T275 PolarHBondContact O-OG1 3.49Å; T275-R277 VanDerWaalsContact C-N 3.27Å; T275-R277 PolarHBondContact O-N 2.8Å; T275-G278 CarbonylContact O-C 3.57Å; T275-G278 WeakPolarHBondContact O-CA 3.43Å; T275-G278 PolarHBondContact O-N 2.85Å; T275-G278 PolarHBondContact OG1-N 2.91Å; T275-L279 PolarHBondContact O-N 3.07Å | ||
| 276 | E | 86.1 | Confident | 87.3 | Confident | 166 Ų | 166 | 62.8 Ų | 62.8 | 78% | 0.776 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -56.3 | -41.2 | 173.7 | -66.5 | -178.4 | 171.2 | 0 | 0 | 112.1 | G278 L279 V280 | E276-G278 VanDerWaalsContact C-N 3.32Å; E276-G278 PolarHBondContact O-N 2.96Å; E276-L279 WeakPolarHBondContact O-CB 3.29Å; E276-L279 PolarHBondContact O-N 3.21Å; E276-V280 WeakPolarHBondContact O-CG2 3.31Å; E276-V280 PolarHBondContact O-N 3.49Å |
| 277 | R | 88.4 | Confident | 87.4 | Confident | 79 Ų | 79 | 61.4 Ų | 61.4 | 30% | 0.298 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 174.6 | -67.1 | 178.7 | -66.2 | -84.4 | -9.9 | 111.8 | Q249 D253 G259 G261 T275 L281 | Q249-R277 VanDerWaalsContact OE1-NH2 3.12Å; D253-R277 IonicContact OD1-NH2 3.94Å; D253-R277 PolarHBondContact OD1-NH2 2.89Å; D253-R277 IonicContact OD2-CZ 3.71Å; D253-R277 IonicContact OD2-NH1 2.82Å; D253-R277 PolarHBondContact OD2-NH1 3.05Å; D253-R277 VanDerWaalsContact OD2-NH1 3.15Å; D253-R277 IonicContact OD2-NH2 3.1Å; D253-R277 PolarHBondContact OD2-NH2 3.18Å; G259-R277 PolarHBondContact O-NH1 3.44Å; G259-R277 PolarHBondContact O-NH2 2.77Å; G261-R277 PolarHBondContact O-NE 2.83Å; G261-R277 PolarHBondContact O-NH2 2.9Å; T275-R277 VanDerWaalsContact C-N 3.27Å; T275-R277 PolarHBondContact O-N 2.8Å; R277-L281 WeakPolarHBondContact O-CB 3.39Å; R277-L281 PolarHBondContact O-N 3.35Å |
| 278 | G | 89.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H262 T275 E276 L281 I282 | H262-G278 WeakPolarHBondContact O-CA 3.49Å; T275-G278 CarbonylContact O-C 3.57Å; T275-G278 WeakPolarHBondContact O-CA 3.43Å; T275-G278 PolarHBondContact O-N 2.85Å; T275-G278 PolarHBondContact OG1-N 2.91Å; E276-G278 VanDerWaalsContact C-N 3.32Å; E276-G278 PolarHBondContact O-N 2.96Å; G278-L281 PolarHBondContact O-N 2.81Å; G278-I282 WeakPolarHBondContact O-CB 3.49Å; G278-I282 WeakPolarHBondContact O-CD1 3.27Å; G278-I282 WeakPolarHBondContact O-CG1 3.4Å; G278-I282 PolarHBondContact O-N 3.15Å |
| 279 | L | 87.6 | Confident | 88.3 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.9 | -53 | 173.9 | -178.4 | 72.1 | 0 | 0 | 0 | 110.8 | T275 E276 L281 I282 E283 L298 Y299 | T275-L279 PolarHBondContact O-N 3.07Å; E276-L279 WeakPolarHBondContact O-CB 3.29Å; E276-L279 PolarHBondContact O-N 3.21Å; L279-L281 VanDerWaalsContact C-N 3.33Å; L279-L281 PolarHBondContact O-N 3.03Å; L279-I282 PolarHBondContact O-N 3.27Å; L279-I282 VanDerWaalsContact O-N 3.16Å; L279-E283 WeakPolarHBondContact O-CG 3.36Å; L279-E283 PolarHBondContact O-N 3.22Å; L279-L298 HydrophobicContact CD1-CB 4.12Å; L279-L298 HydrophobicContact CD1-CD2 4.11Å; L279-Y299 HydrophobicContact CD1-CD2 3.79Å; L279-Y299 HydrophobicContact CD1-CE2 3.37Å; L279-Y299 HydrophobicContact CD2-CD2 3.76Å; L279-Y299 HydrophobicContact CD2-CE2 3.5Å; L279-Y299 VanDerWaalsContact CD2-CE2 3.5Å; L279-Y299 HydrophobicContact CG-CD2 4.4Å; L279-Y299 HydrophobicContact CG-CE2 4.01Å |
| 280 | V | 89.1 | Confident | 88.8 | Confident | 73 Ų | 73 | 57.4 Ų | 57.4 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.8 | -47.9 | 179.1 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | E276 I282 E283 E284 | E276-V280 WeakPolarHBondContact O-CG2 3.31Å; E276-V280 PolarHBondContact O-N 3.49Å; V280-I282 VanDerWaalsContact C-N 3.35Å; V280-I282 PolarHBondContact O-N 3.26Å; V280-E283 PolarHBondContact O-N 3.42Å; V280-E284 WeakPolarHBondContact O-CG 2.95Å; V280-E284 PolarHBondContact O-N 2.93Å |
| 281 | L | 92.1 | Very high | 89 | Confident | 39 Ų | 39 | 55 Ų | 55 | 20% | 0.204 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 179.2 | 179.5 | 62.3 | 0 | 0 | 0 | 112.4 | L246 H262 R277 G278 L279 L285 | L246-L281 HydrophobicContact CD2-CD2 3.94Å; L246-L281 HydrophobicContact CD2-CG 4.33Å; H262-L281 WeakPolarHBondContact CE1-CD2 3.42Å; H262-L281 WeakPolarHBondContact ND1-CD2 3.28Å; R277-L281 WeakPolarHBondContact O-CB 3.39Å; R277-L281 PolarHBondContact O-N 3.35Å; G278-L281 PolarHBondContact O-N 2.81Å; L279-L281 VanDerWaalsContact C-N 3.33Å; L279-L281 PolarHBondContact O-N 3.03Å; L281-L285 HydrophobicContact CD1-CD1 4.05Å; L281-L285 HydrophobicContact CD1-CG 4.16Å; L281-L285 HydrophobicContact CG-CD1 3.92Å; L281-L285 HydrophobicContact CG-CG 4.42Å; L281-L285 WeakPolarHBondContact O-CB 3.28Å; L281-L285 WeakPolarHBondContact O-CG 3.41Å; L281-L285 PolarHBondContact O-N 2.96Å |
| 282 | I | 92.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 176.9 | -75.1 | 169.5 | 0 | 0 | 0 | 110.3 | L246 L274 G278 L279 V280 E284 L285 L286 L298 V310 | L246-I282 HydrophobicContact CD1-CD1 3.62Å; L246-I282 HydrophobicContact CD1-CG1 3.84Å; L246-I282 HydrophobicContact CD2-CD1 4.18Å; L246-I282 HydrophobicContact CD2-CG1 3.65Å; L246-I282 HydrophobicContact CG-CG1 4.34Å; L274-I282 HydrophobicContact CD1-CD1 3.69Å; L274-I282 HydrophobicContact CD2-CD1 3.38Å; L274-I282 HydrophobicContact CG-CD1 4.2Å; G278-I282 WeakPolarHBondContact O-CB 3.49Å; G278-I282 WeakPolarHBondContact O-CD1 3.27Å; G278-I282 WeakPolarHBondContact O-CG1 3.4Å; G278-I282 PolarHBondContact O-N 3.15Å; L279-I282 PolarHBondContact O-N 3.27Å; L279-I282 VanDerWaalsContact O-N 3.16Å; V280-I282 VanDerWaalsContact C-N 3.35Å; V280-I282 PolarHBondContact O-N 3.26Å; I282-E284 VanDerWaalsContact C-N 3.35Å; I282-E284 PolarHBondContact O-N 2.93Å; I282-L285 PolarHBondContact O-N 3.18Å; I282-L286 HydrophobicContact CG2-CD1 3.55Å; I282-L286 HydrophobicContact CG2-CG 4.04Å; I282-L286 WeakPolarHBondContact O-CB 3.08Å; I282-L286 WeakPolarHBondContact O-CG 3.44Å; I282-L286 PolarHBondContact O-N 2.85Å; I282-L298 HydrophobicContact CG2-CD2 3.75Å; I282-V310 HydrophobicContact CD1-CG1 3.89Å; I282-V310 HydrophobicContact CG2-CG1 4.13Å; I282-V310 HydrophobicContact CG2-CG2 4.29Å |
| 283 | E | 91.3 | Very high | 88.7 | Confident | 35 Ų | 35 | 54.8 Ų | 54.8 | 16% | 0.164 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.1 | -47.1 | 177.3 | -72.8 | 177.7 | 161.4 | 0 | 0 | 110.7 | L279 V280 L285 L286 V287 M292 S297 L298 | L279-E283 WeakPolarHBondContact O-CG 3.36Å; L279-E283 PolarHBondContact O-N 3.22Å; V280-E283 PolarHBondContact O-N 3.42Å; E283-L285 PolarHBondContact O-N 3.32Å; E283-L286 PolarHBondContact O-N 2.84Å; E283-V287 VanDerWaalsContact O-CG2 3.29Å; E283-V287 WeakPolarHBondContact O-CG2 2.99Å; E283-V287 PolarHBondContact O-N 3.05Å; E283-M292 HydrophobicContact CB-CE 3.69Å; E283-M292 HydrophobicContact CG-CE 3.82Å; E283-S297 VanDerWaalsContact OE1-CA 3.3Å; E283-S297 WeakPolarHBondContact OE1-CA 3.43Å; E283-S297 PolarHBondContact OE1-OG 3.16Å; E283-L298 HydrophobicContact CG-CB 3.89Å; E283-L298 PolarHBondContact OE1-N 2.85Å |
| 284 | E | 91.5 | Very high | 88.4 | Confident | 120 Ų | 120 | 61.1 Ų | 61.1 | 56% | 0.561 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -58.6 | -43.3 | 174.9 | -73.7 | 176.9 | -176.7 | 0 | 0 | 112.9 | V280 I282 K288 | V280-E284 WeakPolarHBondContact O-CG 2.95Å; V280-E284 PolarHBondContact O-N 2.93Å; I282-E284 VanDerWaalsContact C-N 3.35Å; I282-E284 PolarHBondContact O-N 2.93Å; E284-K288 WeakPolarHBondContact O-CB 3.4Å; E284-K288 PolarHBondContact O-N 3.16Å |
| 285 | L | 92.2 | Very high | 87.8 | Confident | 29 Ų | 29 | 63.6 Ų | 63.6 | 15% | 0.152 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.7 | -36.4 | 179.2 | -70.7 | 172.3 | 0 | 0 | 0 | 112.2 | I242 H245 L281 I282 E283 K288 E289 | I242-L285 HydrophobicContact CD1-CB 4.46Å; I242-L285 HydrophobicContact CG1-CB 4.36Å; I242-L285 HydrophobicContact CG2-CB 3.71Å; I242-L285 HydrophobicContact CG2-CD1 3.75Å; I242-L285 HydrophobicContact CG2-CG 4.38Å; H245-L285 HydrophobicContact CB-CD1 3.86Å; L281-L285 HydrophobicContact CD1-CD1 4.05Å; L281-L285 HydrophobicContact CD1-CG 4.16Å; L281-L285 HydrophobicContact CG-CD1 3.92Å; L281-L285 HydrophobicContact CG-CG 4.42Å; L281-L285 WeakPolarHBondContact O-CB 3.28Å; L281-L285 WeakPolarHBondContact O-CG 3.41Å; L281-L285 PolarHBondContact O-N 2.96Å; I282-L285 PolarHBondContact O-N 3.18Å; E283-L285 PolarHBondContact O-N 3.32Å; L285-K288 PolarHBondContact O-N 3.04Å; L285-E289 WeakPolarHBondContact O-CG 3.4Å; L285-E289 PolarHBondContact O-N 2.73Å |
| 286 | L | 91.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 175.4 | -74.3 | 169.1 | 0 | 0 | 0 | 111.1 | I242 I282 E283 E289 G290 I291 M292 L298 L306 V310 | I242-L286 HydrophobicContact CD1-CD2 3.57Å; I242-L286 HydrophobicContact CD1-CG 4.08Å; I282-L286 HydrophobicContact CG2-CD1 3.55Å; I282-L286 HydrophobicContact CG2-CG 4.04Å; I282-L286 WeakPolarHBondContact O-CB 3.08Å; I282-L286 WeakPolarHBondContact O-CG 3.44Å; I282-L286 PolarHBondContact O-N 2.85Å; E283-L286 PolarHBondContact O-N 2.84Å; L286-E289 PolarHBondContact O-N 3.36Å; L286-G290 PolarHBondContact O-N 2.66Å; L286-I291 HydrophobicContact CB-CB 4.48Å; L286-I291 HydrophobicContact CD2-CB 4.04Å; L286-I291 HydrophobicContact CD2-CD1 3.86Å; L286-I291 HydrophobicContact CD2-CG2 3.92Å; L286-I291 PolarHBondContact O-N 3.14Å; L286-M292 HydrophobicContact CB-CB 4Å; L286-M292 PolarHBondContact O-N 2.87Å; L286-L298 HydrophobicContact CD1-CD1 3.82Å; L286-L298 HydrophobicContact CD1-CD2 4.29Å; L286-L306 HydrophobicContact CD1-CD2 3.95Å; L286-L306 HydrophobicContact CD1-CG 4.31Å; L286-L306 HydrophobicContact CD2-CD1 3.96Å; L286-L306 HydrophobicContact CD2-CD2 4.22Å; L286-L306 HydrophobicContact CD2-CG 4.37Å; L286-V310 HydrophobicContact CD1-CG2 4.4Å |
| 287 | V | 89.9 | Confident | 86.9 | Confident | 37 Ų | 37 | 61.1 Ų | 61.1 | 22% | 0.224 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 174.5 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | E283 E289 G290 M292 E294 | E283-V287 VanDerWaalsContact O-CG2 3.29Å; E283-V287 WeakPolarHBondContact O-CG2 2.99Å; E283-V287 PolarHBondContact O-N 3.05Å; V287-E289 VanDerWaalsContact C-N 3.3Å; V287-E289 PolarHBondContact O-N 3.4Å; V287-G290 WeakPolarHBondContact O-CA 3.23Å; V287-G290 PolarHBondContact O-N 3.18Å; V287-M292 WeakPolarHBondContact CA-O 3.18Å; V287-M292 HydrophobicContact CG2-CB 4.39Å; V287-M292 HydrophobicContact CG2-CE 3.82Å; V287-E294 HydrophobicContact CG1-CG 3.6Å |
| 288 | K | 90.1 | Very high | 86.4 | Confident | 168 Ų | 168 | 57.3 Ų | 57.3 | 73% | 0.73 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.4 | -36.6 | 179.3 | -175.8 | -178.5 | 177 | -174.9 | 0 | 113.3 | E284 L285 G290 | E284-K288 WeakPolarHBondContact O-CB 3.4Å; E284-K288 PolarHBondContact O-N 3.16Å; L285-K288 PolarHBondContact O-N 3.04Å; K288-G290 PolarHBondContact O-N 3.49Å |
| 289 | E | 88.5 | Confident | 85.8 | Confident | 83 Ų | 83 | 64.2 Ų | 64.2 | 39% | 0.388 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -6.4 | 174.7 | -74 | -71.2 | 141.2 | 0 | 0 | 112.5 | R238 I242 L285 L286 V287 I291 | R238-E289 PolarHBondContact NH2-O 2.94Å; I242-E289 HydrophobicContact CD1-CG 4.17Å; I242-E289 HydrophobicContact CG1-CG 4.18Å; L285-E289 WeakPolarHBondContact O-CG 3.4Å; L285-E289 PolarHBondContact O-N 2.73Å; L286-E289 PolarHBondContact O-N 3.36Å; V287-E289 VanDerWaalsContact C-N 3.3Å; V287-E289 PolarHBondContact O-N 3.4Å; E289-I291 HydrophobicContact CB-CD1 3.75Å; E289-I291 HydrophobicContact CB-CG1 3.95Å |
| 290 | G | 86.6 | Confident | 85 | Confident | 54 Ų | 54 | 64.3 Ų | 64.3 | 56% | 0.557 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 37.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R238 L286 V287 K288 | R238-G290 VanDerWaalsContact NH2-C 3.25Å; R238-G290 PolarHBondContact NH2-O 2.71Å; L286-G290 PolarHBondContact O-N 2.66Å; V287-G290 WeakPolarHBondContact O-CA 3.23Å; V287-G290 PolarHBondContact O-N 3.18Å; K288-G290 PolarHBondContact O-N 3.49Å |
| 291 | I | 85.7 | Confident | 83.5 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 15% | 0.154 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -100.2 | -30.1 | 178.2 | -59.4 | 167.6 | 0 | 0 | 0 | 111.1 | M235 R238 I242 L286 E289 L306 | M235-I291 HydrophobicContact CE-CG2 3.78Å; R238-I291 HydrophobicContact CB-CD1 3.91Å; R238-I291 VanDerWaalsContact CZ-CG1 3.45Å; R238-I291 VanDerWaalsContact NH2-CG1 3.34Å; I242-I291 HydrophobicContact CD1-CD1 3.86Å; L286-I291 HydrophobicContact CB-CB 4.48Å; L286-I291 HydrophobicContact CD2-CB 4.04Å; L286-I291 HydrophobicContact CD2-CD1 3.86Å; L286-I291 HydrophobicContact CD2-CG2 3.92Å; L286-I291 PolarHBondContact O-N 3.14Å; E289-I291 HydrophobicContact CB-CD1 3.75Å; E289-I291 HydrophobicContact CB-CG1 3.95Å; I291-L306 HydrophobicContact CG2-CD1 3.57Å; I291-L306 HydrophobicContact CG2-CD2 3.9Å; I291-L306 HydrophobicContact CG2-CG 4.4Å |
| 292 | M | 85 | Confident | 82.2 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.039 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -133.1 | 148.5 | -178 | -167.5 | 178.9 | 74.9 | 0 | 0 | 109.2 | E283 L286 V287 E296 L306 | E283-M292 HydrophobicContact CB-CE 3.69Å; E283-M292 HydrophobicContact CG-CE 3.82Å; L286-M292 HydrophobicContact CB-CB 4Å; L286-M292 PolarHBondContact O-N 2.87Å; V287-M292 WeakPolarHBondContact CA-O 3.18Å; V287-M292 HydrophobicContact CG2-CB 4.39Å; V287-M292 HydrophobicContact CG2-CE 3.82Å; M292-E296 HydrophobicContact CE-CB 4.48Å; M292-E296 WeakPolarHBondContact CE-O 3.38Å; M292-E296 HydrophobicContact CG-CB 3.86Å; M292-E296 WeakPolarHBondContact CG-OE2 2.95Å; M292-E296 HydrophobicContact SD-CB 4.16Å; M292-L306 HydrophobicContact CB-CD2 4.27Å |
| 293 | D | 80.7 | Confident | 81.3 | Confident | 112 Ų | 112 | 67.1 Ų | 67.1 | 60% | 0.599 | 38% | 0.38 | S | S | * | . | trans | -80 | 156 | -180 | -70.5 | -30.9 | 0 | 0 | 0 | 112.4 | G295 E296 | D293-G295 PolarHBondContact O-N 3.25Å; D293-E296 HydrophobicContact CB-CG 3.95Å; D293-E296 PolarHBondContact O-N 3.05Å | ||
| 294 | E | 80.6 | Confident | 80.3 | Confident | 179 Ų | 179 | 67 Ų | 67 | 84% | 0.836 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 124.4 | 178.2 | -79 | -175.7 | -178.3 | 0 | 0 | 111.5 | V287 | V287-E294 HydrophobicContact CG1-CG 3.6Š|
| 295 | G | 77 | Confident | 79.5 | Confident | 86 Ų | 86 | 64.7 Ų | 64.7 | 89% | 0.887 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | -4.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D293 | D293-G295 PolarHBondContact O-N 3.25Š|
| 296 | E | 76.9 | Confident | 79.1 | Confident | 75 Ų | 75 | 63.9 Ų | 63.9 | 35% | 0.35 | 37% | 0.366 | S | S | . | . | trans | -73.9 | 150.7 | 169.3 | -66.6 | -165.2 | 152.1 | 0 | 0 | 111.8 | M292 D293 N303 | M292-E296 HydrophobicContact CE-CB 4.48Å; M292-E296 WeakPolarHBondContact CE-O 3.38Å; M292-E296 HydrophobicContact CG-CB 3.86Å; M292-E296 WeakPolarHBondContact CG-OE2 2.95Å; M292-E296 HydrophobicContact SD-CB 4.16Å; D293-E296 HydrophobicContact CB-CG 3.95Å; D293-E296 PolarHBondContact O-N 3.05Å; E296-N303 PolarHBondContact OE2-ND2 2.77Å | ||
| 297 | S | 79.1 | Confident | 78.7 | Confident | 48 Ų | 48 | 65.3 Ų | 65.3 | 34% | 0.336 | 37% | 0.373 | S | S | . | . | trans | -102.9 | 142.5 | 171 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | E283 Y299 S300 N303 | E283-S297 VanDerWaalsContact OE1-CA 3.3Å; E283-S297 WeakPolarHBondContact OE1-CA 3.43Å; E283-S297 PolarHBondContact OE1-OG 3.16Å; S297-Y299 PolarHBondContact O-N 2.8Å; S297-Y299 PolarHBondContact OG-N 3.02Å; S297-S300 VanDerWaalsContact O-CB 3.24Å; S297-S300 WeakPolarHBondContact O-CB 3.27Å; S297-S300 PolarHBondContact O-N 3.33Å; S297-S300 PolarHBondContact O-OG 3.34Å; S297-N303 PolarHBondContact O-ND2 3.07Å | ||
| 298 | L | 78.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23.3 | 173 | -173.7 | 61.7 | 0 | 0 | 0 | 112.4 | L279 I282 E283 L286 S300 L306 M307 V310 | L279-L298 HydrophobicContact CD1-CB 4.12Å; L279-L298 HydrophobicContact CD1-CD2 4.11Å; I282-L298 HydrophobicContact CG2-CD2 3.75Å; E283-L298 HydrophobicContact CG-CB 3.89Å; E283-L298 PolarHBondContact OE1-N 2.85Å; L286-L298 HydrophobicContact CD1-CD1 3.82Å; L286-L298 HydrophobicContact CD1-CD2 4.29Å; L298-S300 VanDerWaalsContact C-N 3.31Å; L298-L306 HydrophobicContact CD1-CB 4.14Å; L298-L306 HydrophobicContact CD1-CD2 3.92Å; L298-L306 HydrophobicContact CD1-CG 3.72Å; L298-M307 HydrophobicContact CD1-CB 4.12Å; L298-M307 HydrophobicContact CD1-SD 4.48Å; L298-M307 HydrophobicContact CD2-CE 4.47Å; L298-M307 HydrophobicContact CD2-SD 3.44Å; L298-M307 WeakPolarHBondContact CD2-SD 3.32Å; L298-M307 HydrophobicContact CG-CB 4.08Å; L298-M307 HydrophobicContact CG-CG 4.42Å; L298-M307 HydrophobicContact CG-SD 3.61Å; L298-V310 HydrophobicContact CD2-CG1 4.49Å; L298-V310 HydrophobicContact CD2-CG2 4.46Å |
| 299 | Y | 75.6 | Confident | 78.2 | Confident | 145 Ų | 145 | 57.3 Ų | 57.3 | 57% | 0.569 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 3.2 | 175.1 | -73.5 | -65.6 | 0 | 0 | 0 | 114.1 | L279 S297 M307 | L279-Y299 HydrophobicContact CD1-CD2 3.79Å; L279-Y299 HydrophobicContact CD1-CE2 3.37Å; L279-Y299 HydrophobicContact CD2-CD2 3.76Å; L279-Y299 HydrophobicContact CD2-CE2 3.5Å; L279-Y299 VanDerWaalsContact CD2-CE2 3.5Å; L279-Y299 HydrophobicContact CG-CD2 4.4Å; L279-Y299 HydrophobicContact CG-CE2 4.01Å; S297-Y299 PolarHBondContact O-N 2.8Å; S297-Y299 PolarHBondContact OG-N 3.02Å; Y299-M307 HydrophobicContact CE1-SD 4.37Å |
| 300 | S | 70.4 | Confident | 78.3 | Confident | 29 Ų | 29 | 53.4 Ų | 53.4 | 20% | 0.203 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -65.2 | 150.4 | 174.6 | 81.8 | 0 | 0 | 0 | 0 | 110.5 | S297 L298 A302 N303 I304 | S297-S300 VanDerWaalsContact O-CB 3.24Å; S297-S300 WeakPolarHBondContact O-CB 3.27Å; S297-S300 PolarHBondContact O-N 3.33Å; S297-S300 PolarHBondContact O-OG 3.34Å; L298-S300 VanDerWaalsContact C-N 3.31Å; S300-A302 PolarHBondContact O-N 2.64Å; S300-A302 PolarHBondContact OG-N 3.41Å; S300-N303 PolarHBondContact O-N 2.99Å; S300-N303 WeakPolarHBondContact OG-CB 3.25Å; S300-N303 PolarHBondContact OG-N 2.91Å; S300-N303 PolarHBondContact OG-ND2 3.44Å; S300-I304 PolarHBondContact O-N 2.87Å |
| 301 | P | 58.9 | Low | 78.4 | Confident | 69 Ų | 69 | 53 Ų | 53 | 45% | 0.448 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -57.6 | -28.2 | 173.8 | -27.2 | 35.7 | 0 | 0 | 0 | 114 | N303 I304 | P301-N303 VanDerWaalsContact C-N 3.32Å; P301-I304 HydrophobicContact CB-CD1 4.34Å; P301-I304 WeakPolarHBondContact O-CD1 3.36Å; P301-I304 WeakPolarHBondContact O-CG1 3.44Å |
| 302 | A | 64.4 | Low | 78.6 | Confident | 83 Ų | 83 | 51.7 Ų | 51.7 | 69% | 0.686 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -68.7 | -31.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | S300 | S300-A302 PolarHBondContact O-N 2.64Å; S300-A302 PolarHBondContact OG-N 3.41Å |
| 303 | N | 73.1 | Confident | 79.1 | Confident | 19 Ų | 19 | 51.4 Ų | 51.4 | 10% | 0.102 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -97.5 | 13.6 | -175.2 | -69.2 | -33.3 | 0 | 0 | 0 | 114.1 | E296 S297 S300 P301 M305 L306 M307 | E296-N303 PolarHBondContact OE2-ND2 2.77Å; S297-N303 PolarHBondContact O-ND2 3.07Å; S300-N303 PolarHBondContact O-N 2.99Å; S300-N303 WeakPolarHBondContact OG-CB 3.25Å; S300-N303 PolarHBondContact OG-N 2.91Å; S300-N303 PolarHBondContact OG-ND2 3.44Å; P301-N303 VanDerWaalsContact C-N 3.32Å; N303-M305 VanDerWaalsContact C-N 3.31Å; N303-M305 PolarHBondContact O-N 2.99Å; N303-L306 HydrophobicContact CB-CB 4.44Å; N303-L306 WeakPolarHBondContact O-CB 3.43Å; N303-L306 PolarHBondContact O-N 3.43Å; N303-L306 VanDerWaalsContact O-N 3.08Å; N303-M307 PolarHBondContact O-N 3.39Å |
| 304 | I | 71.4 | Confident | 79.7 | Confident | 32 Ų | 32 | 46.1 Ų | 46.1 | 16% | 0.164 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.6 | -45 | 179.4 | -69.8 | 171.9 | 0 | 0 | 0 | 111.7 | S300 P301 M307 H308 Y784 M810 | S300-I304 PolarHBondContact O-N 2.87Å; P301-I304 HydrophobicContact CB-CD1 4.34Å; P301-I304 WeakPolarHBondContact O-CD1 3.36Å; P301-I304 WeakPolarHBondContact O-CG1 3.44Å; I304-M307 PolarHBondContact O-N 3.07Å; I304-H308 PolarHBondContact O-N 3.23Å; I304-Y784 VanDerWaalsContact CG2-CB 3.46Å; I304-Y784 HydrophobicContact CG2-CD2 4.12Å; I304-Y784 HydrophobicContact CG2-CG 4.05Å; I304-M810 HydrophobicContact CD1-CE 4.31Å; I304-M810 HydrophobicContact CD1-SD 4.49Å |
| 305 | M | 74.4 | Confident | 80.4 | Confident | 73 Ų | 73 | 40.4 Ų | 40.4 | 36% | 0.36 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.5 | -39.8 | 177.6 | -68.7 | -57.7 | -61.5 | 0 | 0 | 112 | N303 H308 H309 Y784 | N303-M305 VanDerWaalsContact C-N 3.31Å; N303-M305 PolarHBondContact O-N 2.99Å; M305-H308 WeakPolarHBondContact O-CB 3.33Å; M305-H308 PolarHBondContact O-N 3.16Å; M305-H309 PolarHBondContact O-CD2 3.46Å; M305-H309 PolarHBondContact O-N 3.04Å; M305-Y784 HydrophobicContact CE-CE2 3.98Å; M305-Y784 HydrophobicContact SD-CD2 3.68Å; M305-Y784 HydrophobicContact SD-CE2 3.3Å; M305-Y784 WeakPolarHBondContact SD-CE2 3.23Å |
| 306 | L | 83.3 | Confident | 81.2 | Confident | 12 Ų | 12 | 36.3 Ų | 36.3 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.7 | -44.2 | 177.9 | -178.3 | 57.8 | 0 | 0 | 0 | 111.6 | M235 V239 L286 I291 M292 L298 N303 H308 H309 V310 | M235-L306 HydrophobicContact CE-CD1 3.78Å; V239-L306 HydrophobicContact CG2-CD1 4.14Å; L286-L306 HydrophobicContact CD1-CD2 3.95Å; L286-L306 HydrophobicContact CD1-CG 4.31Å; L286-L306 HydrophobicContact CD2-CD1 3.96Å; L286-L306 HydrophobicContact CD2-CD2 4.22Å; L286-L306 HydrophobicContact CD2-CG 4.37Å; I291-L306 HydrophobicContact CG2-CD1 3.57Å; I291-L306 HydrophobicContact CG2-CD2 3.9Å; I291-L306 HydrophobicContact CG2-CG 4.4Å; M292-L306 HydrophobicContact CB-CD2 4.27Å; L298-L306 HydrophobicContact CD1-CB 4.14Å; L298-L306 HydrophobicContact CD1-CD2 3.92Å; L298-L306 HydrophobicContact CD1-CG 3.72Å; N303-L306 HydrophobicContact CB-CB 4.44Å; N303-L306 WeakPolarHBondContact O-CB 3.43Å; N303-L306 PolarHBondContact O-N 3.43Å; N303-L306 VanDerWaalsContact O-N 3.08Å; L306-H308 PolarHBondContact O-N 3.47Å; L306-H309 PolarHBondContact O-N 3.38Å; L306-H309 VanDerWaalsContact O-N 3.16Å; L306-V310 WeakPolarHBondContact O-CG2 3.48Å; L306-V310 PolarHBondContact O-N 3.27Å |
| 307 | M | 82.6 | Confident | 82.1 | Confident | 30 Ų | 30 | 35.6 Ų | 35.6 | 15% | 0.148 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59 | -38.3 | 173.7 | -176.5 | 63 | -119.1 | 0 | 0 | 111.3 | L274 L298 Y299 N303 I304 V310 T311 | L274-M307 HydrophobicContact CD1-CE 3.77Å; L274-M307 HydrophobicContact CD1-SD 4.45Å; L298-M307 HydrophobicContact CD1-CB 4.12Å; L298-M307 HydrophobicContact CD1-SD 4.48Å; L298-M307 HydrophobicContact CD2-CE 4.47Å; L298-M307 HydrophobicContact CD2-SD 3.44Å; L298-M307 WeakPolarHBondContact CD2-SD 3.32Å; L298-M307 HydrophobicContact CG-CB 4.08Å; L298-M307 HydrophobicContact CG-CG 4.42Å; L298-M307 HydrophobicContact CG-SD 3.61Å; Y299-M307 HydrophobicContact CE1-SD 4.37Å; N303-M307 PolarHBondContact O-N 3.39Å; I304-M307 PolarHBondContact O-N 3.07Å; M307-V310 HydrophobicContact CE-CB 4.43Å; M307-V310 HydrophobicContact CE-CG1 4.24Å; M307-V310 PolarHBondContact O-N 3.23Å; M307-T311 WeakPolarHBondContact CE-OG1 3.41Å; M307-T311 WeakPolarHBondContact O-CB 3.5Å; M307-T311 PolarHBondContact O-N 2.94Å; M307-T311 PolarHBondContact O-OG1 3.34Å |
| 308 | H | 80.9 | Confident | 82.7 | Confident | 23 Ų | 23 | 34.5 Ų | 34.5 | 11% | 0.106 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.6 | -50.9 | 173.1 | 176.7 | 79.3 | 0 | 0 | 0 | 111.8 | I304 M305 L306 V310 T311 A312 D351 Y784 | I304-H308 PolarHBondContact O-N 3.23Å; M305-H308 WeakPolarHBondContact O-CB 3.33Å; M305-H308 PolarHBondContact O-N 3.16Å; L306-H308 PolarHBondContact O-N 3.47Å; H308-V310 VanDerWaalsContact C-N 3.32Å; H308-V310 PolarHBondContact O-N 3.33Å; H308-T311 PolarHBondContact O-N 3.24Å; H308-T311 VanDerWaalsContact O-N 3.15Å; H308-A312 WeakPolarHBondContact O-CB 3.37Å; H308-A312 PolarHBondContact O-N 2.88Å; H308-D351 PolarHBondContact CE1-O 3.07Å; H308-D351 PolarHBondContact NE2-O 3.29Å; H308-D351 VanDerWaalsContact NE2-O 3.14Å; H308-Y784 HydrophobicContact CB-CE1 4.31Å; H308-Y784 AromaticContact CD2-CZ 3.95Å; H308-Y784 PolarHBondContact CD2-OH 2.89Å; H308-Y784 AromaticContact CE1-CE1 3.52Å; H308-Y784 AromaticContact CE1-CZ 3.83Å; H308-Y784 PolarHBondContact CE1-OH 3.25Å; H308-Y784 AromaticContact CG-CE1 3.69Å; H308-Y784 AromaticContact CG-CZ 3.73Å; H308-Y784 AromaticContact ND1-CD1 3.97Å; H308-Y784 AromaticContact ND1-CE1 3.2Å; H308-Y784 WeakPolarHBondContact ND1-CE1 3.42Å; H308-Y784 AromaticContact ND1-CZ 3.68Å; H308-Y784 PolarHBondContact NE2-OH 2.87Å |
| 309 | H | 88.6 | Confident | 83.4 | Confident | 13 Ų | 13 | 35.5 Ų | 35.5 | 6% | 0.06 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.4 | -42.1 | 176.8 | -68 | -51.9 | 0 | 0 | 0 | 112.6 | Y236 V239 M305 L306 A312 A313 | Y236-H309 AromaticContact CE1-ND1 3.51Å; Y236-H309 AromaticContact CE2-CE1 3.81Å; Y236-H309 AromaticContact CE2-ND1 3.75Å; Y236-H309 AromaticContact CZ-CE1 3.69Å; Y236-H309 AromaticContact CZ-ND1 3.26Å; Y236-H309 VanDerWaalsContact CZ-ND1 3.26Å; Y236-H309 PolarHBondContact OH-ND1 3.17Å; V239-H309 HydrophobicContact CG2-CB 4.22Å; M305-H309 PolarHBondContact O-CD2 3.46Å; M305-H309 PolarHBondContact O-N 3.04Å; L306-H309 PolarHBondContact O-N 3.38Å; L306-H309 VanDerWaalsContact O-N 3.16Å; H309-A312 PolarHBondContact O-N 3.25Å; H309-A313 VanDerWaalsContact O-CB 3.22Å; H309-A313 WeakPolarHBondContact O-CB 3.49Å; H309-A313 PolarHBondContact O-N 2.71Å |
| 310 | V | 90.6 | Very high | 84.2 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 175.5 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | V239 I243 I282 L286 L298 L306 M307 H308 A313 L314 | V239-V310 HydrophobicContact CG1-CB 4.46Å; V239-V310 HydrophobicContact CG1-CG2 3.97Å; I243-V310 HydrophobicContact CD1-CG1 4.41Å; I282-V310 HydrophobicContact CD1-CG1 3.89Å; I282-V310 HydrophobicContact CG2-CG1 4.13Å; I282-V310 HydrophobicContact CG2-CG2 4.29Å; L286-V310 HydrophobicContact CD1-CG2 4.4Å; L298-V310 HydrophobicContact CD2-CG1 4.49Å; L298-V310 HydrophobicContact CD2-CG2 4.46Å; L306-V310 WeakPolarHBondContact O-CG2 3.48Å; L306-V310 PolarHBondContact O-N 3.27Å; M307-V310 HydrophobicContact CE-CB 4.43Å; M307-V310 HydrophobicContact CE-CG1 4.24Å; M307-V310 PolarHBondContact O-N 3.23Å; H308-V310 VanDerWaalsContact C-N 3.32Å; H308-V310 PolarHBondContact O-N 3.33Å; V310-A313 PolarHBondContact O-N 3.13Å; V310-L314 VanDerWaalsContact O-CB 3.27Å; V310-L314 WeakPolarHBondContact O-CB 3.18Å; V310-L314 PolarHBondContact O-N 3.41Å |
| 311 | T | 89.3 | Confident | 85.2 | Confident | 45 Ų | 45 | 31.3 Ų | 31.3 | 28% | 0.276 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.1 | -46.5 | 179.1 | -53.6 | 0 | 0 | 0 | 0 | 111.3 | V272 M307 H308 L314 R315 | V272-T311 HydrophobicContact CG2-CG2 4.29Å; M307-T311 WeakPolarHBondContact CE-OG1 3.41Å; M307-T311 WeakPolarHBondContact O-CB 3.5Å; M307-T311 PolarHBondContact O-N 2.94Å; M307-T311 PolarHBondContact O-OG1 3.34Å; H308-T311 PolarHBondContact O-N 3.24Å; H308-T311 VanDerWaalsContact O-N 3.15Å; T311-L314 PolarHBondContact O-N 3.31Å; T311-R315 HydrophobicContact CG2-CG 4.44Å; T311-R315 WeakPolarHBondContact O-CB 3.35Å; T311-R315 VanDerWaalsContact O-CG 3.25Å; T311-R315 WeakPolarHBondContact O-CG 3.28Å; T311-R315 PolarHBondContact O-N 3.37Å |
| 312 | A | 90.6 | Very high | 86.8 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.4 | -45.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y236 H308 H309 R315 A316 A356 | Y236-A312 HydrophobicContact CE1-CB 4.46Å; H308-A312 WeakPolarHBondContact O-CB 3.37Å; H308-A312 PolarHBondContact O-N 2.88Å; H309-A312 PolarHBondContact O-N 3.25Å; A312-R315 PolarHBondContact O-N 2.86Å; A312-A316 WeakPolarHBondContact O-CB 3.29Å; A312-A316 PolarHBondContact O-N 3.41Å; A312-A356 HydrophobicContact CB-CB 4.04Å; A312-A356 WeakPolarHBondContact O-CB 3.49Å |
| 313 | A | 94.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.9 | -45.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | V239 I243 H309 V310 R315 A316 H317 | V239-A313 HydrophobicContact CG1-CB 3.75Å; I243-A313 HydrophobicContact CD1-CB 4.11Å; I243-A313 HydrophobicContact CG1-CB 3.58Å; H309-A313 VanDerWaalsContact O-CB 3.22Å; H309-A313 WeakPolarHBondContact O-CB 3.49Å; H309-A313 PolarHBondContact O-N 2.71Å; V310-A313 PolarHBondContact O-N 3.13Å; A313-R315 PolarHBondContact O-N 3.45Å; A313-A316 WeakPolarHBondContact O-CB 3.38Å; A313-A316 PolarHBondContact O-N 3.33Å; A313-H317 PolarHBondContact O-CD2 2.71Å; A313-H317 VanDerWaalsContact O-CD2 3.25Å; A313-H317 PolarHBondContact O-N 2.88Å |
| 314 | L | 94.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 177.1 | -175.4 | 59.5 | 0 | 0 | 0 | 111.9 | I243 L246 F263 V272 L274 V310 T311 H317 A318 | I243-L314 HydrophobicContact CD1-CB 4.23Å; I243-L314 HydrophobicContact CG2-CD1 3.91Å; L246-L314 HydrophobicContact CD1-CD1 4.1Å; F263-L314 HydrophobicContact CB-CD2 3.95Å; F263-L314 HydrophobicContact CD1-CD1 3.91Å; F263-L314 HydrophobicContact CD2-CD1 3.95Å; F263-L314 HydrophobicContact CD2-CD2 4.17Å; F263-L314 HydrophobicContact CD2-CG 4.29Å; F263-L314 HydrophobicContact CE1-CD1 3.89Å; F263-L314 HydrophobicContact CE2-CD1 3.93Å; F263-L314 HydrophobicContact CG-CD1 3.93Å; F263-L314 HydrophobicContact CG-CD2 4.02Å; F263-L314 HydrophobicContact CG-CG 4.44Å; F263-L314 HydrophobicContact CZ-CD1 3.88Å; V272-L314 HydrophobicContact CB-CD2 4.02Å; V272-L314 HydrophobicContact CB-CG 4.12Å; V272-L314 HydrophobicContact CG1-CG 4.36Å; V272-L314 HydrophobicContact CG2-CB 4.14Å; V272-L314 HydrophobicContact CG2-CD2 3.76Å; V272-L314 HydrophobicContact CG2-CG 3.86Å; L274-L314 HydrophobicContact CD2-CD2 3.62Å; L274-L314 HydrophobicContact CG-CD2 4.35Å; V310-L314 VanDerWaalsContact O-CB 3.27Å; V310-L314 WeakPolarHBondContact O-CB 3.18Å; V310-L314 PolarHBondContact O-N 3.41Å; T311-L314 PolarHBondContact O-N 3.31Å; L314-H317 PolarHBondContact O-N 2.89Å; L314-A318 WeakPolarHBondContact O-CB 3.46Å; L314-A318 PolarHBondContact O-N 3.15Å |
| 315 | R | 94 | Very high | 89.8 | Confident | 58 Ų | 58 | 38.2 Ų | 38.2 | 22% | 0.219 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.2 | -47.1 | 173.7 | -71.2 | 174.2 | 71.5 | -155.5 | 1.3 | 111.1 | V272 T311 A312 A313 H317 A318 L319 L353 | V272-R315 HydrophobicContact CB-CG 4.38Å; V272-R315 HydrophobicContact CG1-CG 3.99Å; V272-R315 HydrophobicContact CG2-CG 3.53Å; T311-R315 HydrophobicContact CG2-CG 4.44Å; T311-R315 WeakPolarHBondContact O-CB 3.35Å; T311-R315 VanDerWaalsContact O-CG 3.25Å; T311-R315 WeakPolarHBondContact O-CG 3.28Å; T311-R315 PolarHBondContact O-N 3.37Å; A312-R315 PolarHBondContact O-N 2.86Å; A313-R315 PolarHBondContact O-N 3.45Å; R315-H317 VanDerWaalsContact C-N 3.26Å; R315-H317 PolarHBondContact O-N 2.87Å; R315-A318 PolarHBondContact O-N 3.41Å; R315-L319 HydrophobicContact CB-CD1 4.34Å; R315-L319 HydrophobicContact CG-CD1 4.17Å; R315-L319 WeakPolarHBondContact O-CB 3.35Å; R315-L319 PolarHBondContact O-N 2.92Å; R315-L353 HydrophobicContact CB-CD1 3.96Å |
| 316 | A | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.9 | -40.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | A312 A313 F320 L353 A356 V357 K360 | A312-A316 WeakPolarHBondContact O-CB 3.29Å; A312-A316 PolarHBondContact O-N 3.41Å; A313-A316 WeakPolarHBondContact O-CB 3.38Å; A313-A316 PolarHBondContact O-N 3.33Å; A316-F320 VanDerWaalsContact O-O 3.04Å; A316-L353 HydrophobicContact CB-CD1 4.15Å; A316-A356 HydrophobicContact CB-CB 3.77Å; A316-V357 HydrophobicContact CB-CG2 3.65Å; A316-K360 WeakPolarHBondContact O-CD 3.23Å; A316-K360 PolarHBondContact O-NZ 2.97Å |
| 317 | H | 95.1 | Very high | 91.2 | Very high | 60 Ų | 60 | 36.2 Ų | 36.2 | 28% | 0.278 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -73.9 | -44.1 | 176.3 | -83.5 | -86.1 | 0 | 0 | 0 | 113.5 | N240 I243 A313 L314 R315 | N240-H317 PolarHBondContact OD1-NE2 3.4Å; I243-H317 HydrophobicContact CG2-CB 3.7Å; A313-H317 PolarHBondContact O-CD2 2.71Å; A313-H317 VanDerWaalsContact O-CD2 3.25Å; A313-H317 PolarHBondContact O-N 2.88Å; L314-H317 PolarHBondContact O-N 2.89Å; R315-H317 VanDerWaalsContact C-N 3.26Å; R315-H317 PolarHBondContact O-N 2.87Å |
| 318 | A | 92.6 | Very high | 91.7 | Very high | 25 Ų | 25 | 36.4 Ų | 36.4 | 21% | 0.207 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -88.9 | -28.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115 | F263 V265 V272 L314 R315 | F263-A318 HydrophobicContact CE2-CB 3.64Å; F263-A318 HydrophobicContact CZ-CB 4.15Å; V265-A318 HydrophobicContact CG2-CB 3.97Å; V272-A318 HydrophobicContact CG1-CB 4.03Å; L314-A318 WeakPolarHBondContact O-CB 3.46Å; L314-A318 PolarHBondContact O-N 3.15Å; R315-A318 PolarHBondContact O-N 3.41Å |
| 319 | L | 92.2 | Very high | 92.1 | Very high | 22 Ų | 22 | 40.3 Ų | 40.3 | 12% | 0.115 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -116.4 | -21.6 | -170.1 | -73.4 | 169.7 | 0 | 0 | 0 | 114.5 | V265 R270 V272 R315 | V265-L319 HydrophobicContact CG1-CD2 3.31Å; V265-L319 HydrophobicContact CG1-CG 4Å; R270-L319 HydrophobicContact CB-CD1 4.36Å; R270-L319 WeakPolarHBondContact O-CD1 3.25Å; V272-L319 HydrophobicContact CG1-CD1 3.87Å; V272-L319 HydrophobicContact CG1-CG 4.17Å; R315-L319 HydrophobicContact CB-CD1 4.34Å; R315-L319 HydrophobicContact CG-CD1 4.17Å; R315-L319 WeakPolarHBondContact O-CB 3.35Å; R315-L319 PolarHBondContact O-N 2.92Å |
| 320 | F | 93.2 | Very high | 92.1 | Very high | 8 Ų | 8 | 46.5 Ų | 46.5 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | trans | -114.9 | 121 | -174 | -69.4 | -94.1 | 0 | 0 | 0 | 110.2 | A316 D325 Y326 W349 L353 V357 K360 | A316-F320 VanDerWaalsContact O-O 3.04Å; F320-D325 WeakPolarHBondContact CA-OD2 3.37Å; F320-D325 HydrophobicContact CB-CB 4.49Å; F320-D325 HydrophobicContact CD1-CB 3.85Å; F320-Y326 HydrophobicContact CB-CD1 4.43Å; F320-Y326 HydrophobicContact CB-CE1 4.01Å; F320-W349 AromaticContact CD1-CH2 3.98Å; F320-W349 HydrophobicContact CD1-CH2 3.98Å; F320-W349 AromaticContact CD1-CZ2 3.65Å; F320-W349 HydrophobicContact CD1-CZ2 3.65Å; F320-W349 HydrophobicContact CE1-CD2 4.48Å; F320-W349 AromaticContact CE1-CE2 3.78Å; F320-W349 AromaticContact CE1-CZ2 3.82Å; F320-W349 HydrophobicContact CE1-CZ2 3.82Å; F320-W349 AromaticContact CE1-NE1 3.83Å; F320-L353 HydrophobicContact CD2-CD1 3.92Å; F320-L353 HydrophobicContact CD2-CD2 4.15Å; F320-L353 HydrophobicContact CE1-CD2 4.04Å; F320-L353 HydrophobicContact CE2-CD1 3.91Å; F320-L353 HydrophobicContact CE2-CD2 3.45Å; F320-L353 VanDerWaalsContact CE2-CD2 3.45Å; F320-L353 HydrophobicContact CE2-CG 4.24Å; F320-L353 HydrophobicContact CZ-CD2 3.4Å; F320-L353 VanDerWaalsContact CZ-CD2 3.4Å; F320-L353 HydrophobicContact CZ-CG 4.49Å; F320-V357 HydrophobicContact CB-CG2 4.26Å; F320-K360 PolarHBondContact O-NZ 2.73Å | ||
| 321 | T | 92 | Very high | 92 | Very high | 77 Ų | 77 | 48.4 Ų | 48.4 | 47% | 0.472 | 26% | 0.26 | S | S | . | . | trans | -117 | 133.8 | -174.7 | -50.6 | 0 | 0 | 0 | 0 | 110.9 | V324 D325 | T321-V324 HydrophobicContact CG2-CG2 4.36Å; T321-V324 PolarHBondContact O-N 3.25Å; T321-D325 PolarHBondContact N-OD2 2.98Å; T321-D325 PolarHBondContact O-N 2.89Å | ||
| 322 | R | 92.5 | Very high | 92 | Very high | 115 Ų | 115 | 51.7 Ų | 51.7 | 43% | 0.434 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -59 | 143.2 | 172.6 | -177.8 | 177.8 | 174.7 | 157.5 | -1.1 | 111 | V324 Y326 E361 | R322-V324 PolarHBondContact O-N 3.17Å; R322-Y326 CarbonylContact C-O 3.6Å; R322-Y326 HydrophobicContact CB-CE2 3.85Å; R322-Y326 HydrophobicContact CG-CE2 4.23Å; R322-E361 WeakPolarHBondContact CD-OE2 3.39Å; R322-E361 IonicContact CZ-OE2 3.81Å; R322-E361 IonicContact NH1-OE2 3.99Å; R322-E361 PolarHBondContact NH1-OE2 2.8Å; R322-E361 VanDerWaalsContact NH1-OE2 3.09Å |
| 323 | D | 90.8 | Very high | 92.1 | Very high | 117 Ų | 117 | 52 Ų | 52 | 63% | 0.626 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 9.3 | -175.3 | -52.5 | -46.2 | 0 | 0 | 0 | 114.5 | Y326 | D323-Y326 WeakPolarHBondContact CA-O 3.41Å; D323-Y326 PolarHBondContact N-O 3.3Å |
| 324 | V | 88.4 | Confident | 92 | Very high | 94 Ų | 94 | 52.4 Ų | 52.4 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | -63.1 | 174.1 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | T321 R322 | T321-V324 HydrophobicContact CG2-CG2 4.36Å; T321-V324 PolarHBondContact O-N 3.25Å; R322-V324 PolarHBondContact O-N 3.17Å |
| 325 | D | 91.2 | Very high | 91.9 | Very high | 22 Ų | 22 | 52.7 Ų | 52.7 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -24.3 | -179.6 | -59.2 | -82.3 | 0 | 0 | 0 | 112.3 | R270 F320 T321 V336 | R270-D325 IonicContact NH2-OD1 3.74Å; R270-D325 PolarHBondContact NH2-OD1 2.62Å; F320-D325 WeakPolarHBondContact CA-OD2 3.37Å; F320-D325 HydrophobicContact CB-CB 4.49Å; F320-D325 HydrophobicContact CD1-CB 3.85Å; T321-D325 PolarHBondContact N-OD2 2.98Å; T321-D325 PolarHBondContact O-N 2.89Å; D325-V336 PolarHBondContact O-N 2.86Å |
| 326 | Y | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 162.5 | 178.5 | 59.7 | -81.1 | 0 | 0 | 0 | 111.8 | F320 R322 D323 V328 V333 I334 W349 V357 E361 | F320-Y326 HydrophobicContact CB-CD1 4.43Å; F320-Y326 HydrophobicContact CB-CE1 4.01Å; R322-Y326 CarbonylContact C-O 3.6Å; R322-Y326 HydrophobicContact CB-CE2 3.85Å; R322-Y326 HydrophobicContact CG-CE2 4.23Å; D323-Y326 WeakPolarHBondContact CA-O 3.41Å; D323-Y326 PolarHBondContact N-O 3.3Å; Y326-V328 HydrophobicContact CD2-CG2 4.37Å; Y326-V328 HydrophobicContact CE2-CG2 4.27Å; Y326-V333 HydrophobicContact CD2-CG1 3.85Å; Y326-V333 HydrophobicContact CG-CG1 3.97Å; Y326-I334 CarbonylContact C-O 3.37Å; Y326-I334 VanDerWaalsContact CA-O 3.23Å; Y326-I334 WeakPolarHBondContact CA-O 3.23Å; Y326-I334 WeakPolarHBondContact CB-O 3.22Å; Y326-W349 AromaticContact CD1-CH2 3.73Å; Y326-W349 HydrophobicContact CD1-CH2 3.73Å; Y326-W349 HydrophobicContact CD1-CZ3 4.48Å; Y326-W349 AromaticContact CG-CH2 3.98Å; Y326-W349 HydrophobicContact CG-CH2 3.98Å; Y326-V357 HydrophobicContact CD1-CG1 3.94Å; Y326-V357 HydrophobicContact CD2-CG1 3.89Å; Y326-V357 HydrophobicContact CE1-CG1 3.61Å; Y326-V357 HydrophobicContact CE2-CG1 3.58Å; Y326-V357 HydrophobicContact CG-CG1 4.07Å; Y326-V357 VanDerWaalsContact CZ-CG1 3.42Å; Y326-E361 HydrophobicContact CE2-CG 3.64Å; Y326-E361 PolarHBondContact OH-OE1 3.03Å |
| 327 | I | 92.9 | Very high | 90.9 | Very high | 43 Ų | 43 | 52.8 Ų | 52.8 | 22% | 0.221 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 152.9 | 166.9 | 61.4 | 170.4 | 0 | 0 | 0 | 109.8 | I334 V336 T343 | I327-I334 HydrophobicContact CG1-CB 3.96Å; I327-I334 PolarHBondContact N-O 3.43Å; I327-I334 PolarHBondContact O-N 2.98Å; I327-V336 HydrophobicContact CG2-CG2 4.04Å; I327-T343 HydrophobicContact CD1-CG2 3.49Å; I327-T343 VanDerWaalsContact CD1-CG2 3.49Å; I327-T343 HydrophobicContact CG1-CG2 4.17Å |
| 328 | V | 92.6 | Very high | 90.1 | Very high | 35 Ų | 35 | 56.6 Ų | 56.6 | 21% | 0.212 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 115.9 | 170.4 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | Y326 E332 E361 V363 | Y326-V328 HydrophobicContact CD2-CG2 4.37Å; Y326-V328 HydrophobicContact CE2-CG2 4.27Å; V328-E332 WeakPolarHBondContact CA-O 3.22Å; V328-E361 HydrophobicContact CG2-CB 3.98Å; V328-E361 HydrophobicContact CG2-CG 3.74Å; V328-V363 HydrophobicContact CG1-CG1 3.65Å |
| 329 | K | 89.9 | Confident | 88.9 | Confident | 105 Ų | 105 | 63.7 Ų | 63.7 | 46% | 0.457 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 135.3 | -179.1 | -170.8 | -174.1 | 172.1 | -172.5 | 0 | 109.7 | G331 E332 I334 | K329-G331 PolarHBondContact O-N 3.16Å; K329-G331 VanDerWaalsContact O-N 3.1Å; K329-E332 PolarHBondContact N-O 3.3Å; K329-E332 PolarHBondContact O-N 3.16Å; K329-I334 HydrophobicContact CB-CD1 3.88Å; K329-I334 HydrophobicContact CD-CD1 4.34Å |
| 330 | D | 88.5 | Confident | 88 | Confident | 143 Ų | 143 | 66.7 Ų | 66.7 | 77% | 0.765 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 27 | 178.8 | -55.2 | -41.4 | 0 | 0 | 0 | 114.2 | ||
| 331 | G | 87.9 | Confident | 87.3 | Confident | 41 Ų | 41 | 69 Ų | 69 | 42% | 0.423 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 11 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K329 V363 | K329-G331 PolarHBondContact O-N 3.16Å; K329-G331 VanDerWaalsContact O-N 3.1Å; G331-V363 WeakPolarHBondContact O-CB 3.29Å |
| 332 | E | 89.9 | Confident | 86.7 | Confident | 115 Ų | 115 | 74.2 Ų | 74.2 | 54% | 0.537 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 150.8 | 179.5 | -63.6 | -178.9 | 171.5 | 0 | 0 | 111.7 | V328 K329 | V328-E332 WeakPolarHBondContact CA-O 3.22Å; K329-E332 PolarHBondContact N-O 3.3Å; K329-E332 PolarHBondContact O-N 3.16Å |
| 333 | V | 92.5 | Very high | 86.3 | Confident | 8 Ų | 8 | 72.2 Ų | 72.2 | 5% | 0.048 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 117.3 | 171.7 | 174.8 | 0 | 0 | 0 | 0 | 108.9 | Y326 W349 H354 V357 E358 V363 | Y326-V333 HydrophobicContact CD2-CG1 3.85Å; Y326-V333 HydrophobicContact CG-CG1 3.97Å; V333-W349 HydrophobicContact CG1-CH2 4.45Å; V333-W349 HydrophobicContact CG1-CZ3 3.96Å; V333-H354 PolarHBondContact O-CE1 3.28Å; V333-H354 VanDerWaalsContact O-CE1 3.32Å; V333-H354 PolarHBondContact O-NE2 3.45Å; V333-V357 HydrophobicContact CG1-CG1 3.81Å; V333-V357 HydrophobicContact CG2-CG1 4.09Å; V333-E358 HydrophobicContact CB-CG 4.17Å; V333-E358 HydrophobicContact CG2-CB 4.41Å; V333-E358 HydrophobicContact CG2-CG 3.72Å; V333-V363 HydrophobicContact CG2-CG2 3.93Å |
| 334 | I | 91.7 | Very high | 85.8 | Confident | 11 Ų | 11 | 68.5 Ų | 68.5 | 6% | 0.056 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.4 | 178.3 | -53.6 | 176.3 | 0 | 0 | 0 | 108.9 | Y326 I327 K329 T343 Q345 | Y326-I334 CarbonylContact C-O 3.37Å; Y326-I334 VanDerWaalsContact CA-O 3.23Å; Y326-I334 WeakPolarHBondContact CA-O 3.23Å; Y326-I334 WeakPolarHBondContact CB-O 3.22Å; I327-I334 HydrophobicContact CG1-CB 3.96Å; I327-I334 PolarHBondContact N-O 3.43Å; I327-I334 PolarHBondContact O-N 2.98Å; K329-I334 HydrophobicContact CB-CD1 3.88Å; K329-I334 HydrophobicContact CD-CD1 4.34Å; I334-T343 HydrophobicContact CG2-CG2 4.42Å; I334-Q345 HydrophobicContact CD1-CG 4.39Å; I334-Q345 HydrophobicContact CG2-CG 4.24Å |
| 335 | I | 91.9 | Very high | 85.4 | Confident | 7 Ų | 7 | 70.6 Ų | 70.6 | 4% | 0.036 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 136.8 | -179.9 | -55.2 | 178.8 | 0 | 0 | 0 | 110 | M344 R347 W349 | I335-M344 HydrophobicContact CB-CE 4.09Å; I335-M344 HydrophobicContact CG2-CE 3.44Å; I335-M344 VanDerWaalsContact CG2-CE 3.44Å; I335-M344 PolarHBondContact O-N 3.48Å; I335-R347 HydrophobicContact CD1-CB 4.34Å; I335-R347 HydrophobicContact CD1-CG 4.22Å; I335-R347 VanDerWaalsContact CD1-O 3.28Å; I335-R347 WeakPolarHBondContact CD1-O 3.43Å; I335-W349 HydrophobicContact CB-CZ2 4.26Å; I335-W349 HydrophobicContact CD1-CD2 3.65Å; I335-W349 HydrophobicContact CD1-CE3 4.19Å; I335-W349 HydrophobicContact CD1-CG 3.87Å; I335-W349 HydrophobicContact CD1-CZ2 4.21Å; I335-W349 HydrophobicContact CG1-CD2 4.01Å; I335-W349 HydrophobicContact CG1-CE3 4.21Å; I335-W349 HydrophobicContact CG1-CH2 4.05Å; I335-W349 HydrophobicContact CG1-CZ2 3.78Å; I335-W349 HydrophobicContact CG1-CZ3 4.22Å; I335-W349 HydrophobicContact CG2-CZ2 3.8Å |
| 336 | V | 87.9 | Confident | 84.8 | Confident | 22 Ų | 22 | 73.6 Ų | 73.6 | 13% | 0.133 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.2 | 171.6 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | D325 I327 E338 | D325-V336 PolarHBondContact O-N 2.86Å; I327-V336 HydrophobicContact CG2-CG2 4.04Å; V336-E338 PolarHBondContact O-N 2.88Å |
| 337 | D | 79.9 | Confident | 84.2 | Confident | 39 Ų | 39 | 80.7 Ų | 80.7 | 21% | 0.209 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -68 | 123.7 | 175.7 | 179.1 | -83.7 | 0 | 0 | 0 | 110.5 | H339 T340 G341 R342 M344 | D337-H339 PolarHBondContact O-N 3.42Å; D337-H339 PolarHBondContact OD1-N 2.83Å; D337-T340 WeakPolarHBondContact CB-OG1 3.46Å; D337-T340 PolarHBondContact O-N 2.79Å; D337-T340 WeakPolarHBondContact OD1-CB 3.41Å; D337-T340 PolarHBondContact OD1-N 2.88Å; D337-T340 PolarHBondContact OD1-OG1 3.38Å; D337-G341 VanDerWaalsContact O-CA 3.29Å; D337-G341 WeakPolarHBondContact O-CA 3.27Å; D337-G341 PolarHBondContact O-N 2.85Å; D337-R342 PolarHBondContact N-O 3Å; D337-M344 HydrophobicContact CB-CE 4Å; D337-M344 HydrophobicContact CB-CG 4.2Å; D337-M344 HydrophobicContact CB-SD 4.01Å |
| 338 | E | 79.1 | Confident | 83.8 | Confident | 139 Ų | 139 | 82.9 Ų | 82.9 | 65% | 0.65 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -28.6 | -173.6 | -170.3 | 174.7 | 165.3 | 0 | 0 | 113.5 | R270 V336 | R270-E338 IonicContact CZ-OE2 2.85Å; R270-E338 IonicContact NH1-OE2 2.73Å; R270-E338 PolarHBondContact NH1-OE2 3.5Å; V336-E338 PolarHBondContact O-N 2.88Å |
| 339 | H | 67.1 | Low | 83.5 | Confident | 174 Ų | 174 | 83.6 Ų | 83.6 | 81% | 0.806 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -35.1 | -176.2 | -67 | 82.9 | 0 | 0 | 0 | 112.6 | D337 | D337-H339 PolarHBondContact O-N 3.42Å; D337-H339 PolarHBondContact OD1-N 2.83Å |
| 340 | T | 74.5 | Confident | 83.1 | Confident | 85 Ų | 85 | 82.4 Ų | 82.4 | 52% | 0.521 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -14.9 | -171 | 63.9 | 0 | 0 | 0 | 0 | 113.6 | D337 R342 | D337-T340 WeakPolarHBondContact CB-OG1 3.46Å; D337-T340 PolarHBondContact O-N 2.79Å; D337-T340 WeakPolarHBondContact OD1-CB 3.41Å; D337-T340 PolarHBondContact OD1-N 2.88Å; D337-T340 PolarHBondContact OD1-OG1 3.38Å; T340-R342 PolarHBondContact O-N 3.16Å; T340-R342 PolarHBondContact OG1-N 2.77Å |
| 341 | G | 77.7 | Confident | 82.5 | Confident | 56 Ų | 56 | 78.6 Ų | 78.6 | 58% | 0.577 | 42% | 0.421 | S | S | * | . | trans | 66 | 12.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D337 | D337-G341 VanDerWaalsContact O-CA 3.29Å; D337-G341 WeakPolarHBondContact O-CA 3.27Å; D337-G341 PolarHBondContact O-N 2.85Å | ||
| 342 | R | 78.8 | Confident | 82.3 | Confident | 187 Ų | 187 | 76.7 Ų | 76.7 | 71% | 0.706 | 40% | 0.402 | S | S | * | . | trans | -85 | 141.6 | -178.2 | -68 | -177.8 | 178 | -173.7 | 1.2 | 111 | D337 T340 | D337-R342 PolarHBondContact N-O 3Å; T340-R342 PolarHBondContact O-N 3.16Å; T340-R342 PolarHBondContact OG1-N 2.77Å | ||
| 343 | T | 84.6 | Confident | 82.3 | Confident | 74 Ų | 74 | 71.4 Ų | 71.4 | 45% | 0.454 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 126.9 | 172.1 | 54.9 | 0 | 0 | 0 | 0 | 110.7 | I327 I334 | I327-T343 HydrophobicContact CD1-CG2 3.49Å; I327-T343 VanDerWaalsContact CD1-CG2 3.49Å; I327-T343 HydrophobicContact CG1-CG2 4.17Å; I334-T343 HydrophobicContact CG2-CG2 4.42Å |
| 344 | M | 80.6 | Confident | 82.3 | Confident | 38 Ų | 38 | 71.3 Ų | 71.3 | 19% | 0.187 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 86.5 | 177.9 | -64.5 | -174.4 | -70.6 | 0 | 0 | 110.4 | I335 D337 R347 | I335-M344 HydrophobicContact CB-CE 4.09Å; I335-M344 HydrophobicContact CG2-CE 3.44Å; I335-M344 VanDerWaalsContact CG2-CE 3.44Å; I335-M344 PolarHBondContact O-N 3.48Å; D337-M344 HydrophobicContact CB-CE 4Å; D337-M344 HydrophobicContact CB-CG 4.2Å; D337-M344 HydrophobicContact CB-SD 4.01Å; M344-R347 HydrophobicContact CB-CB 4.11Å; M344-R347 PolarHBondContact O-N 2.88Å; M344-R347 PolarHBondContact SD-NH1 3.26Å |
| 345 | Q | 80 | Confident | 82.3 | Confident | 138 Ų | 138 | 71.2 Ų | 71.2 | 65% | 0.645 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 139.5 | 177.4 | -74.1 | -176.3 | -22.8 | 0 | 0 | 111.9 | I334 R347 | I334-Q345 HydrophobicContact CD1-CG 4.39Å; I334-Q345 HydrophobicContact CG2-CG 4.24Å; Q345-R347 PolarHBondContact O-N 3.36Å |
| 346 | G | 77.7 | Confident | 82.3 | Confident | 85 Ų | 85 | 70.9 Ų | 70.9 | 88% | 0.876 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -9.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 347 | R | 82.7 | Confident | 82.7 | Confident | 149 Ų | 149 | 69.9 Ų | 69.9 | 56% | 0.562 | 37% | 0.368 | S | S | * | . | trans | -85.3 | 134.3 | 176.5 | -164.3 | 174.9 | -174.6 | 174.4 | 2.2 | 110.2 | I335 M344 Q345 | I335-R347 HydrophobicContact CD1-CB 4.34Å; I335-R347 HydrophobicContact CD1-CG 4.22Å; I335-R347 VanDerWaalsContact CD1-O 3.28Å; I335-R347 WeakPolarHBondContact CD1-O 3.43Å; M344-R347 HydrophobicContact CB-CB 4.11Å; M344-R347 PolarHBondContact O-N 2.88Å; M344-R347 PolarHBondContact SD-NH1 3.26Å; Q345-R347 PolarHBondContact O-N 3.36Å | ||
| 348 | R | 84.6 | Confident | 83.4 | Confident | 90 Ų | 90 | 68.3 Ų | 68.3 | 34% | 0.34 | 36% | 0.359 | S | S | . | . | trans | -121 | 154.3 | 174.8 | -55.5 | -172.7 | 84.2 | -166.8 | -6.4 | 110 | H354 E358 Q366 N367 | R348-H354 HydrophobicContact CB-CB 4.26Å; R348-H354 PolarHBondContact NE-CD2 2.87Å; R348-E358 IonicContact CZ-OE1 3.35Å; R348-E358 IonicContact NE-OE1 3.87Å; R348-E358 VanDerWaalsContact NH2-CD 3.34Å; R348-E358 IonicContact NH2-OE1 2.7Å; R348-E358 PolarHBondContact NH2-OE1 2.98Å; R348-E358 IonicContact NH2-OE2 2.71Å; R348-E358 PolarHBondContact NH2-OE2 2.81Å; R348-E358 VanDerWaalsContact NH2-OE2 3.1Å; R348-Q366 PolarHBondContact NH1-O 3.3Å; R348-Q366 PolarHBondContact NH2-O 2.9Å; R348-N367 PolarHBondContact NH1-O 3.43Å | ||
| 349 | W | 86.7 | Confident | 84.1 | Confident | 50 Ų | 50 | 62 Ų | 62 | 19% | 0.189 | 33% | 0.331 | C | S | . | . | trans | -79.9 | 150.1 | 168 | -61.6 | -71.2 | 0 | 0 | 0 | 109.8 | F320 Y326 V333 I335 L353 H354 V357 | F320-W349 AromaticContact CD1-CH2 3.98Å; F320-W349 HydrophobicContact CD1-CH2 3.98Å; F320-W349 AromaticContact CD1-CZ2 3.65Å; F320-W349 HydrophobicContact CD1-CZ2 3.65Å; F320-W349 HydrophobicContact CE1-CD2 4.48Å; F320-W349 AromaticContact CE1-CE2 3.78Å; F320-W349 AromaticContact CE1-CZ2 3.82Å; F320-W349 HydrophobicContact CE1-CZ2 3.82Å; F320-W349 AromaticContact CE1-NE1 3.83Å; Y326-W349 AromaticContact CD1-CH2 3.73Å; Y326-W349 HydrophobicContact CD1-CH2 3.73Å; Y326-W349 HydrophobicContact CD1-CZ3 4.48Å; Y326-W349 AromaticContact CG-CH2 3.98Å; Y326-W349 HydrophobicContact CG-CH2 3.98Å; V333-W349 HydrophobicContact CG1-CH2 4.45Å; V333-W349 HydrophobicContact CG1-CZ3 3.96Å; I335-W349 HydrophobicContact CB-CZ2 4.26Å; I335-W349 HydrophobicContact CD1-CD2 3.65Å; I335-W349 HydrophobicContact CD1-CE3 4.19Å; I335-W349 HydrophobicContact CD1-CG 3.87Å; I335-W349 HydrophobicContact CD1-CZ2 4.21Å; I335-W349 HydrophobicContact CG1-CD2 4.01Å; I335-W349 HydrophobicContact CG1-CE3 4.21Å; I335-W349 HydrophobicContact CG1-CH2 4.05Å; I335-W349 HydrophobicContact CG1-CZ2 3.78Å; I335-W349 HydrophobicContact CG1-CZ3 4.22Å; I335-W349 HydrophobicContact CG2-CZ2 3.8Å; W349-L353 HydrophobicContact CB-CB 4.02Å; W349-L353 HydrophobicContact CB-CD2 3.91Å; W349-L353 HydrophobicContact CB-CG 4.13Å; W349-L353 HydrophobicContact CD2-CD2 4.34Å; W349-L353 HydrophobicContact CG-CD2 3.96Å; W349-L353 HydrophobicContact CG-CG 4.41Å; W349-H354 HydrophobicContact CB-CB 4.17Å; W349-H354 AromaticContact CD2-ND1 3.98Å; W349-H354 HydrophobicContact CE3-CB 3.98Å; W349-H354 AromaticContact CE3-CG 3.87Å; W349-H354 AromaticContact CE3-ND1 3.19Å; W349-H354 AromaticContact CZ3-ND1 3.68Å; W349-V357 HydrophobicContact CE3-CG2 4.37Å; W349-V357 HydrophobicContact CH2-CG2 4.49Å; W349-V357 HydrophobicContact CZ3-CB 4.04Å; W349-V357 HydrophobicContact CZ3-CG1 4.12Å; W349-V357 HydrophobicContact CZ3-CG2 3.83Å | ||
| 350 | S | 80.5 | Confident | 85.5 | Confident | 79 Ų | 79 | 56 Ų | 56 | 55% | 0.552 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 179.2 | 174.5 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | G352 L353 | S350-G352 PolarHBondContact O-N 3.13Å; S350-L353 WeakPolarHBondContact O-CB 3.44Å; S350-L353 PolarHBondContact O-N 3.5Å |
| 351 | D | 75.9 | Confident | 86.4 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 34% | 0.337 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 41.3 | 166.9 | -52.3 | -45.5 | 0 | 0 | 0 | 113.4 | H308 L353 | H308-D351 PolarHBondContact CE1-O 3.07Å; H308-D351 PolarHBondContact NE2-O 3.29Å; H308-D351 VanDerWaalsContact NE2-O 3.14Å; D351-L353 PolarHBondContact O-N 3.01Å |
| 352 | G | 83.9 | Confident | 87.1 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | -2.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y236 S350 H354 Q355 A356 | Y236-G352 WeakPolarHBondContact CE1-O 3.4Å; Y236-G352 WeakPolarHBondContact OH-CA 3.21Å; S350-G352 PolarHBondContact O-N 3.13Å; G352-H354 VanDerWaalsContact C-N 3.33Å; G352-H354 PolarHBondContact O-N 2.86Å; G352-Q355 PolarHBondContact O-N 2.9Å; G352-A356 WeakPolarHBondContact O-CB 3.34Å; G352-A356 PolarHBondContact O-N 3.43Å |
| 353 | L | 90 | Very high | 87.7 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.4 | -36.7 | -171.5 | 176.9 | 63.7 | 0 | 0 | 0 | 111.8 | R315 A316 F320 W349 S350 D351 A356 V357 | R315-L353 HydrophobicContact CB-CD1 3.96Å; A316-L353 HydrophobicContact CB-CD1 4.15Å; F320-L353 HydrophobicContact CD2-CD1 3.92Å; F320-L353 HydrophobicContact CD2-CD2 4.15Å; F320-L353 HydrophobicContact CE1-CD2 4.04Å; F320-L353 HydrophobicContact CE2-CD1 3.91Å; F320-L353 HydrophobicContact CE2-CD2 3.45Å; F320-L353 VanDerWaalsContact CE2-CD2 3.45Å; F320-L353 HydrophobicContact CE2-CG 4.24Å; F320-L353 HydrophobicContact CZ-CD2 3.4Å; F320-L353 VanDerWaalsContact CZ-CD2 3.4Å; F320-L353 HydrophobicContact CZ-CG 4.49Å; W349-L353 HydrophobicContact CB-CB 4.02Å; W349-L353 HydrophobicContact CB-CD2 3.91Å; W349-L353 HydrophobicContact CB-CG 4.13Å; W349-L353 HydrophobicContact CD2-CD2 4.34Å; W349-L353 HydrophobicContact CG-CD2 3.96Å; W349-L353 HydrophobicContact CG-CG 4.41Å; S350-L353 WeakPolarHBondContact O-CB 3.44Å; S350-L353 PolarHBondContact O-N 3.5Å; D351-L353 PolarHBondContact O-N 3.01Å; L353-A356 PolarHBondContact O-N 2.98Å; L353-V357 WeakPolarHBondContact O-CG2 3.49Å; L353-V357 PolarHBondContact O-N 2.8Å |
| 354 | H | 91.9 | Very high | 87.9 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.028 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.4 | -40.8 | 179.4 | -159.2 | 89.4 | 0 | 0 | 0 | 111.6 | V333 R348 W349 G352 A356 V357 E358 | V333-H354 PolarHBondContact O-CE1 3.28Å; V333-H354 VanDerWaalsContact O-CE1 3.32Å; V333-H354 PolarHBondContact O-NE2 3.45Å; R348-H354 HydrophobicContact CB-CB 4.26Å; R348-H354 PolarHBondContact NE-CD2 2.87Å; W349-H354 HydrophobicContact CB-CB 4.17Å; W349-H354 AromaticContact CD2-ND1 3.98Å; W349-H354 HydrophobicContact CE3-CB 3.98Å; W349-H354 AromaticContact CE3-CG 3.87Å; W349-H354 AromaticContact CE3-ND1 3.19Å; W349-H354 AromaticContact CZ3-ND1 3.68Å; G352-H354 VanDerWaalsContact C-N 3.33Å; G352-H354 PolarHBondContact O-N 2.86Å; H354-A356 VanDerWaalsContact C-N 3.34Å; H354-V357 PolarHBondContact O-N 3.46Å; H354-E358 IonicContact CD2-OE1 3.44Å; H354-E358 PolarHBondContact CD2-OE1 3.31Å; H354-E358 IonicContact NE2-OE1 2.98Å; H354-E358 PolarHBondContact NE2-OE1 3.39Å; H354-E358 WeakPolarHBondContact O-CG 3.43Å; H354-E358 PolarHBondContact O-N 3.25Å |
| 355 | Q | 91.4 | Very high | 88.2 | Confident | 8 Ų | 8 | 49.1 Ų | 49.1 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 174 | -69.5 | 76.1 | 8 | 0 | 0 | 111.5 | Y236 G352 V357 E358 A359 I365 Q366 E368 | Y236-Q355 HydrophobicContact CD1-CB 4.27Å; Y236-Q355 HydrophobicContact CD2-CB 3.74Å; Y236-Q355 HydrophobicContact CE1-CB 4.06Å; Y236-Q355 HydrophobicContact CE2-CB 3.5Å; Y236-Q355 VanDerWaalsContact CE2-CB 3.5Å; Y236-Q355 HydrophobicContact CE2-CG 4.12Å; Y236-Q355 HydrophobicContact CG-CB 4.13Å; G352-Q355 PolarHBondContact O-N 2.9Å; Q355-V357 VanDerWaalsContact C-N 3.34Å; Q355-V357 PolarHBondContact O-N 2.7Å; Q355-E358 WeakPolarHBondContact O-CB 3.27Å; Q355-E358 PolarHBondContact O-N 3.35Å; Q355-A359 WeakPolarHBondContact O-CB 3.31Å; Q355-A359 PolarHBondContact O-N 2.86Å; Q355-I365 HydrophobicContact CB-CG2 3.82Å; Q355-I365 HydrophobicContact CG-CG2 3.79Å; Q355-Q366 WeakPolarHBondContact CG-O 3.43Å; Q355-Q366 PolarHBondContact NE2-O 3.25Å; Q355-E368 HydrophobicContact CG-CG 3.74Å |
| 356 | A | 93.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.8 | -39 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y236 A312 A316 G352 L353 H354 K360 | Y236-A356 HydrophobicContact CD1-CB 4.06Å; Y236-A356 HydrophobicContact CE1-CB 4.07Å; A312-A356 HydrophobicContact CB-CB 4.04Å; A312-A356 WeakPolarHBondContact O-CB 3.49Å; A316-A356 HydrophobicContact CB-CB 3.77Å; G352-A356 WeakPolarHBondContact O-CB 3.34Å; G352-A356 PolarHBondContact O-N 3.43Å; L353-A356 PolarHBondContact O-N 2.98Å; H354-A356 VanDerWaalsContact C-N 3.34Å; A356-K360 VanDerWaalsContact O-CB 3.31Å; A356-K360 WeakPolarHBondContact O-CB 3.46Å; A356-K360 PolarHBondContact O-N 2.86Å |
| 357 | V | 95.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.7 | -40.5 | 173.4 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | A316 F320 Y326 V333 W349 L353 H354 Q355 A359 K360 E361 | A316-V357 HydrophobicContact CB-CG2 3.65Å; F320-V357 HydrophobicContact CB-CG2 4.26Å; Y326-V357 HydrophobicContact CD1-CG1 3.94Å; Y326-V357 HydrophobicContact CD2-CG1 3.89Å; Y326-V357 HydrophobicContact CE1-CG1 3.61Å; Y326-V357 HydrophobicContact CE2-CG1 3.58Å; Y326-V357 HydrophobicContact CG-CG1 4.07Å; Y326-V357 VanDerWaalsContact CZ-CG1 3.42Å; V333-V357 HydrophobicContact CG1-CG1 3.81Å; V333-V357 HydrophobicContact CG2-CG1 4.09Å; W349-V357 HydrophobicContact CE3-CG2 4.37Å; W349-V357 HydrophobicContact CH2-CG2 4.49Å; W349-V357 HydrophobicContact CZ3-CB 4.04Å; W349-V357 HydrophobicContact CZ3-CG1 4.12Å; W349-V357 HydrophobicContact CZ3-CG2 3.83Å; L353-V357 WeakPolarHBondContact O-CG2 3.49Å; L353-V357 PolarHBondContact O-N 2.8Å; H354-V357 PolarHBondContact O-N 3.46Å; Q355-V357 VanDerWaalsContact C-N 3.34Å; Q355-V357 PolarHBondContact O-N 2.7Å; V357-A359 VanDerWaalsContact C-N 3.32Å; V357-A359 PolarHBondContact O-N 3.44Å; V357-K360 WeakPolarHBondContact O-CB 3.28Å; V357-K360 PolarHBondContact O-N 2.91Å; V357-E361 HydrophobicContact CG1-CG 4.47Å; V357-E361 WeakPolarHBondContact O-CG 3.45Å; V357-E361 PolarHBondContact O-N 3.04Å |
| 358 | E | 95.1 | Very high | 88.1 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.028 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.7 | -44.3 | 173.8 | -74.1 | 167.8 | 172.9 | 0 | 0 | 111.1 | V333 R348 H354 Q355 E361 G362 V363 I365 Q366 | V333-E358 HydrophobicContact CB-CG 4.17Å; V333-E358 HydrophobicContact CG2-CB 4.41Å; V333-E358 HydrophobicContact CG2-CG 3.72Å; R348-E358 IonicContact CZ-OE1 3.35Å; R348-E358 IonicContact NE-OE1 3.87Å; R348-E358 VanDerWaalsContact NH2-CD 3.34Å; R348-E358 IonicContact NH2-OE1 2.7Å; R348-E358 PolarHBondContact NH2-OE1 2.98Å; R348-E358 IonicContact NH2-OE2 2.71Å; R348-E358 PolarHBondContact NH2-OE2 2.81Å; R348-E358 VanDerWaalsContact NH2-OE2 3.1Å; H354-E358 IonicContact CD2-OE1 3.44Å; H354-E358 PolarHBondContact CD2-OE1 3.31Å; H354-E358 IonicContact NE2-OE1 2.98Å; H354-E358 PolarHBondContact NE2-OE1 3.39Å; H354-E358 WeakPolarHBondContact O-CG 3.43Å; H354-E358 PolarHBondContact O-N 3.25Å; Q355-E358 WeakPolarHBondContact O-CB 3.27Å; Q355-E358 PolarHBondContact O-N 3.35Å; E358-E361 PolarHBondContact O-N 2.8Å; E358-G362 PolarHBondContact O-N 2.98Å; E358-V363 HydrophobicContact CB-CG2 3.67Å; E358-V363 HydrophobicContact CG-CG2 3.84Å; E358-V363 WeakPolarHBondContact O-CG2 3.29Å; E358-V363 PolarHBondContact O-N 3.06Å; E358-I365 HydrophobicContact CB-CG1 4.01Å; E358-I365 VanDerWaalsContact OE2-CA 3.3Å; E358-I365 WeakPolarHBondContact OE2-CA 3.4Å; E358-Q366 PolarHBondContact OE2-N 2.71Å |
| 359 | A | 93.9 | Very high | 87.6 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.7 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N240 Q355 V357 E361 G362 I365 | N240-A359 HydrophobicContact CB-CB 4.21Å; N240-A359 PolarHBondContact ND2-O 2.57Å; Q355-A359 WeakPolarHBondContact O-CB 3.31Å; Q355-A359 PolarHBondContact O-N 2.86Å; V357-A359 VanDerWaalsContact C-N 3.32Å; V357-A359 PolarHBondContact O-N 3.44Å; A359-E361 VanDerWaalsContact C-N 3.3Å; A359-E361 PolarHBondContact O-N 2.91Å; A359-G362 PolarHBondContact O-N 2.89Å; A359-I365 HydrophobicContact CB-CD1 3.63Å; A359-I365 HydrophobicContact CB-CG1 4.31Å |
| 360 | K | 95.5 | Very high | 87 | Confident | 49 Ų | 49 | 40.8 Ų | 40.8 | 21% | 0.213 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.3 | -42.6 | 175.2 | 173.8 | -175.7 | 177.1 | -172.2 | 0 | 111.8 | N240 A316 F320 A356 V357 G362 | N240-K360 WeakPolarHBondContact OD1-CA 3.35Å; A316-K360 WeakPolarHBondContact O-CD 3.23Å; A316-K360 PolarHBondContact O-NZ 2.97Å; F320-K360 PolarHBondContact O-NZ 2.73Å; A356-K360 VanDerWaalsContact O-CB 3.31Å; A356-K360 WeakPolarHBondContact O-CB 3.46Å; A356-K360 PolarHBondContact O-N 2.86Å; V357-K360 WeakPolarHBondContact O-CB 3.28Å; V357-K360 PolarHBondContact O-N 2.91Å; K360-G362 VanDerWaalsContact C-N 3.34Å |
| 361 | E | 94.7 | Very high | 87 | Confident | 47 Ų | 47 | 38.2 Ų | 38.2 | 22% | 0.22 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -85.7 | -5.5 | -179.5 | -62.8 | -62.5 | 146.2 | 0 | 0 | 113.7 | R322 Y326 V328 V357 E358 A359 V363 | R322-E361 WeakPolarHBondContact CD-OE2 3.39Å; R322-E361 IonicContact CZ-OE2 3.81Å; R322-E361 IonicContact NH1-OE2 3.99Å; R322-E361 PolarHBondContact NH1-OE2 2.8Å; R322-E361 VanDerWaalsContact NH1-OE2 3.09Å; Y326-E361 HydrophobicContact CE2-CG 3.64Å; Y326-E361 PolarHBondContact OH-OE1 3.03Å; V328-E361 HydrophobicContact CG2-CB 3.98Å; V328-E361 HydrophobicContact CG2-CG 3.74Å; V357-E361 HydrophobicContact CG1-CG 4.47Å; V357-E361 WeakPolarHBondContact O-CG 3.45Å; V357-E361 PolarHBondContact O-N 3.04Å; E358-E361 PolarHBondContact O-N 2.8Å; A359-E361 VanDerWaalsContact C-N 3.3Å; A359-E361 PolarHBondContact O-N 2.91Å; E361-V363 VanDerWaalsContact C-N 3.28Å; E361-V363 HydrophobicContact CB-CG1 4.36Å; E361-V363 PolarHBondContact O-N 3.26Å |
| 362 | G | 91.4 | Very high | 87.3 | Confident | 67 Ų | 67 | 35.7 Ų | 35.7 | 69% | 0.691 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 26.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | E358 A359 K360 | E358-G362 PolarHBondContact O-N 2.98Å; A359-G362 PolarHBondContact O-N 2.89Å; K360-G362 VanDerWaalsContact C-N 3.34Å |
| 363 | V | 92.4 | Very high | 87.5 | Confident | 26 Ų | 26 | 35.7 Ų | 35.7 | 16% | 0.158 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -89.5 | 172 | 174.8 | -62.9 | 0 | 0 | 0 | 0 | 111.3 | V328 G331 V333 E358 E361 I365 | V328-V363 HydrophobicContact CG1-CG1 3.65Å; G331-V363 WeakPolarHBondContact O-CB 3.29Å; V333-V363 HydrophobicContact CG2-CG2 3.93Å; E358-V363 HydrophobicContact CB-CG2 3.67Å; E358-V363 HydrophobicContact CG-CG2 3.84Å; E358-V363 WeakPolarHBondContact O-CG2 3.29Å; E358-V363 PolarHBondContact O-N 3.06Å; E361-V363 VanDerWaalsContact C-N 3.28Å; E361-V363 HydrophobicContact CB-CG1 4.36Å; E361-V363 PolarHBondContact O-N 3.26Å; V363-I365 PolarHBondContact O-N 3.02Å; V363-I365 VanDerWaalsContact O-N 3.12Å |
| 364 | Q | 87.7 | Confident | 87.4 | Confident | 142 Ų | 142 | 37 Ų | 37 | 66% | 0.664 | 21% | 0.206 | S | C | * | . | P | Polyproline II helix | trans | -63.9 | 116.6 | 175.9 | -176.9 | 174.6 | 2.7 | 0 | 0 | 109.4 | Q366 | Q364-Q366 PolarHBondContact O-N 3.36Š|
| 365 | I | 87.9 | Confident | 87.3 | Confident | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.062 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -74.3 | 121.7 | 176.7 | -57.9 | 170.6 | 0 | 0 | 0 | 107.3 | S233 K237 Q355 E358 A359 V363 | S233-I365 WeakPolarHBondContact O-CD1 3.29Å; K237-I365 HydrophobicContact CG-CD1 3.86Å; Q355-I365 HydrophobicContact CB-CG2 3.82Å; Q355-I365 HydrophobicContact CG-CG2 3.79Å; E358-I365 HydrophobicContact CB-CG1 4.01Å; E358-I365 VanDerWaalsContact OE2-CA 3.3Å; E358-I365 WeakPolarHBondContact OE2-CA 3.4Å; A359-I365 HydrophobicContact CB-CD1 3.63Å; A359-I365 HydrophobicContact CB-CG1 4.31Å; V363-I365 PolarHBondContact O-N 3.02Å; V363-I365 VanDerWaalsContact O-N 3.12Å |
| 366 | Q | 83.5 | Confident | 87.3 | Confident | 76 Ų | 76 | 37.2 Ų | 37.2 | 36% | 0.355 | 21% | 0.207 | S | C | . | . | P | Polyproline II helix | trans | -92.3 | 138.9 | 176 | -58.2 | -72.3 | -25.8 | 0 | 0 | 108.8 | R348 Q355 E358 Q364 | R348-Q366 PolarHBondContact NH1-O 3.3Å; R348-Q366 PolarHBondContact NH2-O 2.9Å; Q355-Q366 WeakPolarHBondContact CG-O 3.43Å; Q355-Q366 PolarHBondContact NE2-O 3.25Å; E358-Q366 PolarHBondContact OE2-N 2.71Å; Q364-Q366 PolarHBondContact O-N 3.36Å |
| 367 | N | 78.9 | Confident | 87.2 | Confident | 62 Ų | 62 | 37.4 Ų | 37.4 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -50 | 144.9 | -176.3 | -64.5 | 17.4 | 0 | 0 | 0 | 112 | P228 A229 R348 | P228-N367 HydrophobicContact CB-CB 4.46Å; A229-N367 PolarHBondContact O-ND2 3.17Å; R348-N367 PolarHBondContact NH1-O 3.43Å |
| 368 | E | 75.7 | Confident | 86.9 | Confident | 28 Ų | 28 | 37.8 Ų | 37.8 | 13% | 0.131 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 155.7 | 167.4 | -73.5 | 179.2 | -117.2 | 0 | 0 | 110.5 | A229 S232 Y236 Q355 | A229-E368 HydrophobicContact CB-CB 3.96Å; A229-E368 WeakPolarHBondContact CB-O 3.46Å; A229-E368 PolarHBondContact N-O 3.1Å; S232-E368 PolarHBondContact OG-OE1 3.49Å; Y236-E368 WeakPolarHBondContact CE2-OE1 3.28Å; Y236-E368 PolarHBondContact OH-OE1 3.19Å; Q355-E368 HydrophobicContact CG-CG 3.74Å |
| 369 | N | 73.5 | Confident | 86.7 | Confident | 130 Ų | 130 | 37.7 Ų | 37.7 | 70% | 0.695 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 126.3 | 161.2 | -72 | -29.7 | 0 | 0 | 0 | 107.4 | G227 | G227-N369 CarbonylContact O-C 3.42Å; G227-N369 WeakPolarHBondContact O-CA 3.33Å |
| 370 | Q | 74.9 | Confident | 86.8 | Confident | 41 Ų | 41 | 37.3 Ų | 37.3 | 19% | 0.192 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 145.2 | 174 | -174.4 | 178.8 | 17.5 | 0 | 0 | 109.9 | S226 G227 A229 L372 K776 | S226-Q370 VanDerWaalsContact CA-O 3.3Å; S226-Q370 WeakPolarHBondContact CA-O 3.31Å; G227-Q370 PolarHBondContact N-O 2.85Å; G227-Q370 PolarHBondContact O-N 3.07Å; A229-Q370 HydrophobicContact CB-CB 3.95Å; Q370-L372 PolarHBondContact O-N 3.18Å; Q370-K776 PolarHBondContact NE2-O 3.33Å; Q370-K776 VanDerWaalsContact NE2-O 3.1Å |
| 371 | T | 80.5 | Confident | 86.8 | Confident | 26 Ų | 26 | 35 Ų | 35 | 16% | 0.16 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 113.6 | 168.8 | -63.2 | 0 | 0 | 0 | 0 | 109.9 | I224 | I224-T371 HydrophobicContact CG2-CG2 3.84Å |
| 372 | L | 82.7 | Confident | 86.7 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -38.3 | 174.4 | -57.7 | -178.2 | 0 | 0 | 0 | 111.7 | M191 I225 Q370 K776 L851 | M191-L372 HydrophobicContact CE-CB 3.62Å; M191-L372 HydrophobicContact CE-CD1 3.75Å; M191-L372 HydrophobicContact CE-CG 4.33Å; M191-L372 HydrophobicContact SD-CB 4.39Å; I225-L372 HydrophobicContact CG2-CB 4.38Å; I225-L372 HydrophobicContact CG2-CD1 4.34Å; I225-L372 WeakPolarHBondContact O-CB 3.46Å; I225-L372 PolarHBondContact O-N 3.11Å; Q370-L372 PolarHBondContact O-N 3.18Å; L372-K776 HydrophobicContact CD2-CD 3.75Å; L372-K776 HydrophobicContact CD2-CG 4.25Å; L372-L851 HydrophobicContact CD1-CD2 4.07Å |
| 373 | A | 87 | Confident | 86.8 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 144.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L187 M191 I224 I225 | L187-A373 HydrophobicContact CB-CB 4.33Å; L187-A373 HydrophobicContact CD1-CB 4.5Å; L187-A373 HydrophobicContact CD2-CB 4.1Å; M191-A373 HydrophobicContact CG-CB 4.35Å; M191-A373 HydrophobicContact SD-CB 3.68Å; I224-A373 WeakPolarHBondContact CA-O 3.25Å; I225-A373 HydrophobicContact CB-CB 4.4Å; I225-A373 PolarHBondContact N-O 3.39Å; I225-A373 PolarHBondContact O-N 3.42Å |
| 374 | S | 88.4 | Confident | 87.1 | Confident | 34 Ų | 34 | 36.7 Ų | 36.7 | 24% | 0.238 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 142.7 | 179.6 | 178 | 0 | 0 | 0 | 0 | 112.2 | L223 | L223-S374 CarbonylContact O-C 3.54Å; L223-S374 WeakPolarHBondContact O-CA 3.22Å; L223-S374 PolarHBondContact O-OG 2.99Å |
| 375 | I | 90.6 | Very high | 87.5 | Confident | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 140.6 | 171.4 | -165.5 | 170.5 | 0 | 0 | 0 | 111.4 | Y186 L187 L223 N379 Y380 L383 | Y186-I375 HydrophobicContact CD1-CD1 4.08Å; Y186-I375 HydrophobicContact CE1-CD1 3.68Å; L187-I375 HydrophobicContact CD1-CG2 4.05Å; L187-I375 HydrophobicContact CD2-CB 3.92Å; L187-I375 HydrophobicContact CD2-CG2 3.63Å; L187-I375 HydrophobicContact CG-CG2 3.87Å; L223-I375 HydrophobicContact CB-CG2 4.33Å; L223-I375 WeakPolarHBondContact CB-O 3.16Å; L223-I375 PolarHBondContact N-O 3.18Å; L223-I375 PolarHBondContact O-N 2.94Å; I375-N379 HydrophobicContact CG1-CB 4.14Å; I375-Y380 HydrophobicContact CD1-CD2 4.3Å; I375-L383 HydrophobicContact CD1-CD1 4.28Å |
| 376 | T | 90 | Very high | 87.9 | Confident | 11 Ų | 11 | 34.2 Ų | 34.2 | 7% | 0.067 | 17% | 0.169 | C | C | . | . | trans | -82.4 | 151.3 | 170.2 | 64 | 0 | 0 | 0 | 0 | 111.1 | P222 Q378 N379 Y380 D649 | P222-T376 HydrophobicContact CB-CG2 4.04Å; T376-Q378 PolarHBondContact O-N 3.28Å; T376-N379 PolarHBondContact O-N 2.69Å; T376-N379 VanDerWaalsContact O-N 3.07Å; T376-N379 WeakPolarHBondContact OG1-CB 3.23Å; T376-N379 PolarHBondContact OG1-N 3.09Å; T376-N379 PolarHBondContact OG1-ND2 2.97Å; T376-Y380 PolarHBondContact O-N 3.28Å; T376-D649 HydrophobicContact CG2-CB 4.29Å | ||
| 377 | F | 90.8 | Very high | 88.6 | Confident | 5 Ų | 5 | 31.2 Ų | 31.2 | 2% | 0.022 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.7 | -36.7 | 173.3 | -73.5 | -54 | 0 | 0 | 0 | 113.1 | N179 N180 E218 A219 L223 N379 Y380 F381 | N179-F377 HydrophobicContact CB-CD1 4.33Å; N179-F377 HydrophobicContact CB-CE1 3.88Å; N179-F377 HydrophobicContact CB-CZ 4.31Å; N179-F377 WeakPolarHBondContact ND2-CE2 3.42Å; N179-F377 WeakPolarHBondContact ND2-CZ 3.47Å; N179-F377 WeakPolarHBondContact O-CE1 3.46Å; N180-F377 WeakPolarHBondContact OD1-CZ 3.33Å; E218-F377 HydrophobicContact CB-CD2 4.25Å; E218-F377 HydrophobicContact CB-CE2 4.19Å; E218-F377 WeakPolarHBondContact O-CD2 3.11Å; A219-F377 HydrophobicContact CB-CB 4.41Å; L223-F377 HydrophobicContact CD1-CD1 4.33Å; L223-F377 HydrophobicContact CD1-CE1 3.55Å; L223-F377 HydrophobicContact CD1-CZ 3.88Å; L223-F377 HydrophobicContact CD2-CE1 4.2Å; L223-F377 HydrophobicContact CD2-CE2 4.31Å; L223-F377 HydrophobicContact CD2-CZ 3.63Å; L223-F377 HydrophobicContact CG-CE1 3.91Å; L223-F377 HydrophobicContact CG-CE2 4.45Å; L223-F377 HydrophobicContact CG-CZ 3.77Å; F377-N379 VanDerWaalsContact C-N 3.3Å; F377-N379 PolarHBondContact O-N 3.45Å; F377-Y380 PolarHBondContact O-N 3.29Å; F377-F381 HydrophobicContact CB-CD2 4.15Å; F377-F381 HydrophobicContact CB-CE2 4.25Å; F377-F381 HydrophobicContact CD1-CD2 4.39Å; F377-F381 AromaticContact CD1-CE2 3.82Å; F377-F381 HydrophobicContact CD1-CE2 3.82Å; F377-F381 HydrophobicContact CG-CE2 4.35Å; F377-F381 VanDerWaalsContact O-CD2 3.26Å; F377-F381 WeakPolarHBondContact O-CD2 3.4Å; F377-F381 PolarHBondContact O-N 2.67Å |
| 378 | Q | 90.5 | Very high | 89.6 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -52.4 | -50.9 | 173.6 | -77.6 | 169 | -13.5 | 0 | 0 | 111.3 | A219 T376 R382 I404 Y405 L646 | A219-Q378 HydrophobicContact CB-CG 4Å; T376-Q378 PolarHBondContact O-N 3.28Å; Q378-R382 WeakPolarHBondContact O-CD 3.2Å; Q378-R382 WeakPolarHBondContact O-CG 3.31Å; Q378-R382 PolarHBondContact O-N 3.49Å; Q378-I404 HydrophobicContact CB-CG2 4.41Å; Q378-I404 HydrophobicContact CG-CG2 4.03Å; Q378-Y405 WeakPolarHBondContact CA-OH 3.4Å; Q378-Y405 HydrophobicContact CB-CE1 4.49Å; Q378-Y405 HydrophobicContact CG-CE1 4.39Å; Q378-Y405 HydrophobicContact CG-CE2 4.4Å; Q378-Y405 WeakPolarHBondContact CG-OH 3.04Å; Q378-L646 HydrophobicContact CB-CD1 4.08Å |
| 379 | N | 91.2 | Very high | 90.6 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -74.9 | -36.2 | -178.7 | -74.3 | -29.2 | 0 | 0 | 0 | 113.2 | I375 T376 F377 R382 D650 N653 | I375-N379 HydrophobicContact CG1-CB 4.14Å; T376-N379 PolarHBondContact O-N 2.69Å; T376-N379 VanDerWaalsContact O-N 3.07Å; T376-N379 WeakPolarHBondContact OG1-CB 3.23Å; T376-N379 PolarHBondContact OG1-N 3.09Å; T376-N379 PolarHBondContact OG1-ND2 2.97Å; F377-N379 VanDerWaalsContact C-N 3.3Å; F377-N379 PolarHBondContact O-N 3.45Å; N379-R382 PolarHBondContact OD1-NH1 3.32Å; N379-D650 PolarHBondContact OD1-OD1 3.33Å; N379-N653 HydrophobicContact CB-CB 4.33Å; N379-N653 WeakPolarHBondContact CB-OD1 3.48Å; N379-N653 VanDerWaalsContact CG-CG 3.46Å; N379-N653 WeakPolarHBondContact ND2-CB 3.46Å |
| 380 | Y | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.3 | -54 | 176 | 176.4 | -114.2 | 0 | 0 | 0 | 112.2 | Y182 Y186 L203 I375 T376 F377 R382 L383 Y384 | Y182-Y380 WeakPolarHBondContact CB-OH 3.43Å; Y182-Y380 PolarHBondContact O-OH 2.66Å; Y186-Y380 VanDerWaalsContact CB-CE2 3.48Å; Y186-Y380 AromaticContact CD1-CD2 3.92Å; Y186-Y380 HydrophobicContact CD1-CD2 3.92Å; Y186-Y380 HydrophobicContact CD1-CE2 4.13Å; Y186-Y380 HydrophobicContact CD2-CE2 4.11Å; Y186-Y380 AromaticContact CG-CD2 3.92Å; Y186-Y380 HydrophobicContact CG-CD2 3.92Å; Y186-Y380 AromaticContact CG-CE2 3.63Å; Y186-Y380 HydrophobicContact CG-CE2 3.63Å; L203-Y380 HydrophobicContact CD1-CE2 4.01Å; I375-Y380 HydrophobicContact CD1-CD2 4.3Å; T376-Y380 PolarHBondContact O-N 3.28Å; F377-Y380 PolarHBondContact O-N 3.29Å; Y380-R382 PolarHBondContact O-N 3.09Å; Y380-L383 HydrophobicContact CD2-CD1 4.38Å; Y380-L383 VanDerWaalsContact O-CB 3.26Å; Y380-L383 WeakPolarHBondContact O-CB 3.06Å; Y380-L383 WeakPolarHBondContact O-CG 3.4Å; Y380-L383 PolarHBondContact O-N 3.47Å; Y380-Y384 AromaticContact CE1-CE2 3.87Å; Y380-Y384 HydrophobicContact CE1-CE2 3.87Å; Y380-Y384 HydrophobicContact CE2-CE2 4.44Å; Y380-Y384 AromaticContact CZ-CE2 3.8Å; Y380-Y384 PolarHBondContact OH-OH 3.36Å |
| 381 | F | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.1 | -24.4 | -176.1 | -76.8 | -66.8 | 0 | 0 | 0 | 113.4 | V129 N179 A206 V208 I214 L215 F377 L383 Y384 L387 Y405 | V129-F381 HydrophobicContact CG1-CE1 4.42Å; V129-F381 HydrophobicContact CG1-CZ 4.03Å; V129-F381 HydrophobicContact CG2-CE1 4.05Å; V129-F381 HydrophobicContact CG2-CZ 4.47Å; N179-F381 HydrophobicContact CB-CE2 4.13Å; N179-F381 HydrophobicContact CB-CZ 3.9Å; A206-F381 HydrophobicContact CB-CD1 4.44Å; V208-F381 HydrophobicContact CG2-CD1 4.41Å; V208-F381 HydrophobicContact CG2-CE1 4.15Å; I214-F381 HydrophobicContact CG2-CE2 3.63Å; I214-F381 HydrophobicContact CG2-CZ 4.05Å; L215-F381 HydrophobicContact CD2-CB 4.06Å; L215-F381 HydrophobicContact CD2-CD2 3.24Å; L215-F381 HydrophobicContact CD2-CE2 3.8Å; L215-F381 HydrophobicContact CD2-CG 3.72Å; F377-F381 HydrophobicContact CB-CD2 4.15Å; F377-F381 HydrophobicContact CB-CE2 4.25Å; F377-F381 HydrophobicContact CD1-CD2 4.39Å; F377-F381 AromaticContact CD1-CE2 3.82Å; F377-F381 HydrophobicContact CD1-CE2 3.82Å; F377-F381 HydrophobicContact CG-CE2 4.35Å; F377-F381 VanDerWaalsContact O-CD2 3.26Å; F377-F381 WeakPolarHBondContact O-CD2 3.4Å; F377-F381 PolarHBondContact O-N 2.67Å; F381-L383 PolarHBondContact O-N 3.45Å; F381-Y384 HydrophobicContact CD1-CD2 4.28Å; F381-Y384 HydrophobicContact CD1-CE2 4.1Å; F381-Y384 HydrophobicContact CE1-CE2 4.46Å; F381-Y384 PolarHBondContact O-N 3.38Å; F381-L387 HydrophobicContact CB-CD1 4.26Å; F381-L387 HydrophobicContact CB-CD2 3.93Å; F381-L387 HydrophobicContact CD1-CD1 3.97Å; F381-L387 HydrophobicContact CG-CD1 4.43Å; F381-Y405 HydrophobicContact CB-CE1 4.29Å |
| 382 | R | 93.3 | Very high | 93 | Very high | 108 Ų | 108 | 18 Ų | 18 | 41% | 0.408 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -13.8 | 172.4 | -76.6 | 167.9 | 63.6 | -163 | 7.2 | 113.8 | Q378 N379 Y380 Y405 D650 | Q378-R382 WeakPolarHBondContact O-CD 3.2Å; Q378-R382 WeakPolarHBondContact O-CG 3.31Å; Q378-R382 PolarHBondContact O-N 3.49Å; N379-R382 PolarHBondContact OD1-NH1 3.32Å; Y380-R382 PolarHBondContact O-N 3.09Å; R382-Y405 HydrophobicContact CG-CD1 4.13Å; R382-D650 IonicContact CZ-OD1 3.39Å; R382-D650 IonicContact NH1-OD1 2.8Å; R382-D650 PolarHBondContact NH1-OD1 2.81Å; R382-D650 IonicContact NH1-OD2 3.9Å; R382-D650 IonicContact NH2-OD1 3.83Å |
| 383 | L | 93.7 | Very high | 93.2 | Very high | 52 Ų | 52 | 18.2 Ų | 18.2 | 27% | 0.272 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -19.7 | 177.3 | -61.4 | 171.2 | 0 | 0 | 0 | 113.3 | Y186 L203 I375 Y380 F381 | Y186-L383 HydrophobicContact CE1-CD1 3.96Å; Y186-L383 HydrophobicContact CE2-CD1 3.88Å; Y186-L383 VanDerWaalsContact CZ-CD1 3.48Å; Y186-L383 WeakPolarHBondContact OH-CD1 3.47Å; L203-L383 HydrophobicContact CD1-CB 3.77Å; L203-L383 HydrophobicContact CD1-CD1 4.34Å; I375-L383 HydrophobicContact CD1-CD1 4.28Å; Y380-L383 HydrophobicContact CD2-CD1 4.38Å; Y380-L383 VanDerWaalsContact O-CB 3.26Å; Y380-L383 WeakPolarHBondContact O-CB 3.06Å; Y380-L383 WeakPolarHBondContact O-CG 3.4Å; Y380-L383 PolarHBondContact O-N 3.47Å; F381-L383 PolarHBondContact O-N 3.45Å |
| 384 | Y | 97.2 | Very high | 93.3 | Very high | 15 Ų | 15 | 18.2 Ų | 18.2 | 6% | 0.059 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -68.8 | 139 | -179.8 | -78.2 | -98.8 | 0 | 0 | 0 | 111.5 | H127 L203 A206 Y380 F381 K386 | H127-Y384 HydrophobicContact CB-CE1 4.34Å; H127-Y384 AromaticContact ND1-CE1 3.61Å; H127-Y384 AromaticContact ND1-CZ 3.65Å; H127-Y384 PolarHBondContact ND1-OH 3.05Å; L203-Y384 HydrophobicContact CB-CD1 3.83Å; L203-Y384 HydrophobicContact CB-CD2 4.29Å; L203-Y384 HydrophobicContact CB-CE1 3.95Å; L203-Y384 HydrophobicContact CB-CE2 4.4Å; L203-Y384 HydrophobicContact CB-CG 4.02Å; L203-Y384 HydrophobicContact CD1-CD2 4.26Å; L203-Y384 HydrophobicContact CD1-CE2 4.04Å; L203-Y384 HydrophobicContact CD2-CE1 4.03Å; L203-Y384 HydrophobicContact CD2-CE2 4.25Å; L203-Y384 HydrophobicContact CG-CE1 4.49Å; L203-Y384 HydrophobicContact CG-CE2 4.46Å; A206-Y384 HydrophobicContact CB-CD1 3.5Å; A206-Y384 HydrophobicContact CB-CD2 4.07Å; A206-Y384 HydrophobicContact CB-CE1 3.56Å; A206-Y384 HydrophobicContact CB-CE2 4.12Å; A206-Y384 HydrophobicContact CB-CG 3.76Å; Y380-Y384 AromaticContact CE1-CE2 3.87Å; Y380-Y384 HydrophobicContact CE1-CE2 3.87Å; Y380-Y384 HydrophobicContact CE2-CE2 4.44Å; Y380-Y384 AromaticContact CZ-CE2 3.8Å; Y380-Y384 PolarHBondContact OH-OH 3.36Å; F381-Y384 HydrophobicContact CD1-CD2 4.28Å; F381-Y384 HydrophobicContact CD1-CE2 4.1Å; F381-Y384 HydrophobicContact CE1-CE2 4.46Å; F381-Y384 PolarHBondContact O-N 3.38Å; Y384-K386 PolarHBondContact O-N 3.35Å |
| 385 | E | 96.5 | Very high | 93.4 | Very high | 94 Ų | 94 | 21.5 Ų | 21.5 | 44% | 0.439 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -59.3 | -37.4 | 173 | -174.6 | -174.9 | 158.3 | 0 | 0 | 111.4 | R97 L203 H204 | R97-E385 PolarHBondContact NH1-O 3.03Å; R97-E385 PolarHBondContact NH2-O 3.03Å; L203-E385 PolarHBondContact O-N 2.96Å; H204-E385 IonicContact CE1-OE1 3.75Å; H204-E385 IonicContact CE1-OE2 2.8Å; H204-E385 PolarHBondContact CE1-OE2 3.18Å; H204-E385 IonicContact ND1-OE1 2.85Å; H204-E385 IonicContact ND1-OE2 3.52Å; H204-E385 PolarHBondContact ND1-OE2 3.4Å; H204-E385 WeakPolarHBondContact O-CB 3.42Å; H204-E385 PolarHBondContact O-N 3.38Å |
| 386 | K | 97.3 | Very high | 93.2 | Very high | 8 Ų | 8 | 23.6 Ų | 23.6 | 4% | 0.035 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 122 | -179.7 | -165.9 | -179.1 | -178.4 | 162.8 | 0 | 109.3 | N95 R97 N119 H204 Y205 A206 Y384 | N95-K386 WeakPolarHBondContact O-CE 3.46Å; N95-K386 PolarHBondContact O-NZ 2.73Å; N95-K386 PolarHBondContact OD1-NZ 3.38Å; R97-K386 HydrophobicContact CG-CB 4.49Å; R97-K386 HydrophobicContact CG-CD 4.49Å; R97-K386 HydrophobicContact CG-CG 3.53Å; N119-K386 WeakPolarHBondContact OD1-CD 3.43Å; N119-K386 WeakPolarHBondContact OD1-CE 3.28Å; N119-K386 PolarHBondContact OD1-NZ 2.85Å; H204-K386 PolarHBondContact O-N 3Å; Y205-K386 WeakPolarHBondContact CA-O 3.36Å; Y205-K386 HydrophobicContact CD2-CB 3.64Å; Y205-K386 HydrophobicContact CD2-CD 3.49Å; Y205-K386 VanDerWaalsContact CD2-CD 3.49Å; Y205-K386 HydrophobicContact CD2-CG 3.44Å; Y205-K386 VanDerWaalsContact CD2-CG 3.44Å; Y205-K386 WeakPolarHBondContact CD2-O 3.29Å; Y205-K386 HydrophobicContact CE2-CB 4.46Å; Y205-K386 HydrophobicContact CE2-CD 3.81Å; Y205-K386 HydrophobicContact CE2-CG 3.79Å; Y205-K386 HydrophobicContact CG-CB 4.41Å; Y205-K386 HydrophobicContact CG-CD 4.15Å; Y205-K386 HydrophobicContact CG-CG 4.44Å; A206-K386 PolarHBondContact N-O 3.46Å; Y384-K386 PolarHBondContact O-N 3.35Å |
| 387 | L | 98.2 | Very high | 93.1 | Very high | 13 Ų | 13 | 23.7 Ų | 23.7 | 7% | 0.068 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.6 | 176.3 | 178.8 | 64.5 | 0 | 0 | 0 | 108.7 | R97 A206 V208 L215 F381 Y405 L407 | R97-L387 WeakPolarHBondContact CA-O 3.44Å; A206-L387 HydrophobicContact CB-CD1 3.79Å; V208-L387 HydrophobicContact CG2-CD1 3.88Å; L215-L387 HydrophobicContact CD1-CD2 4.38Å; F381-L387 HydrophobicContact CB-CD1 4.26Å; F381-L387 HydrophobicContact CB-CD2 3.93Å; F381-L387 HydrophobicContact CD1-CD1 3.97Å; F381-L387 HydrophobicContact CG-CD1 4.43Å; L387-Y405 HydrophobicContact CD2-CD1 4Å; L387-L407 HydrophobicContact CB-CD2 4.39Å; L387-L407 HydrophobicContact CD2-CD1 3.84Å; L387-L407 HydrophobicContact CG-CD1 3.96Å; L387-L407 HydrophobicContact CG-CD2 4.48Å; L387-L407 VanDerWaalsContact O-CD2 3.22Å; L387-L407 WeakPolarHBondContact O-CD2 3.49Å |
| 388 | A | 98.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 163 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L94 Y205 A206 L207 V208 | L94-A388 HydrophobicContact CB-CB 4.4Å; L94-A388 HydrophobicContact CD2-CB 4.19Å; L94-A388 WeakPolarHBondContact O-CB 3.5Å; Y205-A388 HydrophobicContact CE2-CB 3.92Å; A206-A388 PolarHBondContact O-N 3.22Å; L207-A388 HydrophobicContact CD1-CB 4.3Å; V208-A388 PolarHBondContact N-O 2.96Å |
| 389 | G | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 165.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | L94 C98 I99 A100 V208 | L94-G389 VanDerWaalsContact CD2-C 3.46Å; L94-G389 WeakPolarHBondContact CD2-O 3.43Å; C98-G389 PolarHBondContact O-N 2.76Å; I99-G389 CarbonylContact C-O 3.57Å; I99-G389 VanDerWaalsContact CA-O 3.23Å; I99-G389 WeakPolarHBondContact CA-O 3.44Å; A100-G389 PolarHBondContact N-O 3.26Å; V208-G389 CarbonylContact O-C 3.58Å; V208-G389 WeakPolarHBondContact O-CA 3.42Å |
| 390 | M | 96.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.02 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 147.6 | 179.8 | 53.8 | -171.8 | -178.2 | 0 | 0 | 110.7 | L94 A100 K108 A112 V208 D209 E210 V211 | L94-M390 HydrophobicContact CD1-SD 4.2Å; L94-M390 HydrophobicContact CD2-CB 4.17Å; A100-M390 HydrophobicContact CB-CB 4.4Å; A100-M390 VanDerWaalsContact O-CA 3.31Å; A100-M390 WeakPolarHBondContact O-CA 3.06Å; K108-M390 HydrophobicContact CB-CE 4.16Å; K108-M390 HydrophobicContact CB-SD 3.76Å; K108-M390 HydrophobicContact CD-CB 4.47Å; K108-M390 HydrophobicContact CD-CG 4.44Å; K108-M390 HydrophobicContact CG-SD 4.42Å; A112-M390 HydrophobicContact CB-CE 3.6Å; A112-M390 HydrophobicContact CB-SD 4.14Å; V208-M390 PolarHBondContact O-N 3.08Å; D209-M390 HydrophobicContact CB-CE 3.65Å; D209-M390 HydrophobicContact CB-CG 4.48Å; E210-M390 WeakPolarHBondContact CA-O 3.45Å; E210-M390 PolarHBondContact N-O 3.15Å; V211-M390 PolarHBondContact N-O 2.92Å; V211-M390 VanDerWaalsContact N-O 3.09Å |
| 391 | T | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 162.2 | 174.7 | 170.9 | 0 | 0 | 0 | 0 | 110.1 | I99 A100 E101 M102 V211 D212 T393 A394 | I99-T391 HydrophobicContact CG2-CG2 4.24Å; A100-T391 PolarHBondContact O-N 2.83Å; A100-T391 VanDerWaalsContact O-N 3.15Å; E101-T391 CarbonylContact C-O 3.54Å; E101-T391 WeakPolarHBondContact CA-O 3.39Å; M102-T391 PolarHBondContact N-O 3.3Å; M102-T391 CarbonylContact O-C 3.57Å; M102-T391 VanDerWaalsContact O-O 3.11Å; V211-T391 HydrophobicContact CG1-CG2 3.75Å; D212-T391 HydrophobicContact CB-CG2 4.38Å; D212-T391 PolarHBondContact OD1-OG1 3.27Å; D212-T391 PolarHBondContact OD2-OG1 2.86Å; T391-T393 PolarHBondContact O-N 3.15Å; T391-T393 PolarHBondContact OG1-N 3.29Å; T391-A394 HydrophobicContact CG2-CB 3.41Å; T391-A394 VanDerWaalsContact CG2-CB 3.41Å |
| 392 | G | 89.9 | Confident | 92.9 | Very high | 7 Ų | 7 | 33 Ų | 33 | 7% | 0.072 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -66.7 | -19.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | M102 | M102-G392 VanDerWaalsContact O-CA 3.25Å; M102-G392 WeakPolarHBondContact O-CA 3.17Å |
| 393 | T | 87.3 | Confident | 92.8 | Very high | 13 Ų | 13 | 29.7 Ų | 29.7 | 8% | 0.08 | 16% | 0.161 | C | C | . | . | trans | -154.5 | 77.9 | -162.2 | 50.7 | 0 | 0 | 0 | 0 | 112.6 | D212 T391 R566 N569 | D212-T393 PolarHBondContact OD2-OG1 3.28Å; D212-T393 VanDerWaalsContact OD2-OG1 3.09Å; T391-T393 PolarHBondContact O-N 3.15Å; T391-T393 PolarHBondContact OG1-N 3.29Å; T393-R566 WeakPolarHBondContact O-CD 3.45Å; T393-R566 VanDerWaalsContact O-CG 3.23Å; T393-R566 WeakPolarHBondContact O-CG 3.46Å; T393-R566 WeakPolarHBondContact OG1-CG 3.31Å; T393-N569 HydrophobicContact CG2-CB 3.61Å | ||
| 394 | A | 88.6 | Confident | 92.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -108.9 | -25.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.7 | I99 E101 T391 T396 E397 A398 F401 T409 | I99-A394 HydrophobicContact CG2-CB 3.49Å; I99-A394 VanDerWaalsContact CG2-CB 3.49Å; E101-A394 HydrophobicContact CB-CB 4.27Å; E101-A394 PolarHBondContact OE2-N 2.94Å; T391-A394 HydrophobicContact CG2-CB 3.41Å; T391-A394 VanDerWaalsContact CG2-CB 3.41Å; A394-T396 PolarHBondContact O-N 2.93Å; A394-T396 VanDerWaalsContact O-N 3.11Å; A394-E397 CarbonylContact O-C 3.58Å; A394-E397 PolarHBondContact O-N 3.39Å; A394-A398 PolarHBondContact O-N 3.09Å; A394-F401 HydrophobicContact CB-CD2 4.47Å; A394-F401 HydrophobicContact CB-CE2 3.89Å; A394-T409 HydrophobicContact CB-CG2 3.51Å | ||
| 395 | D | 90.2 | Very high | 92.4 | Very high | 103 Ų | 103 | 27.9 Ų | 27.9 | 55% | 0.551 | 15% | 0.152 | S | C | * | . | G | 310 helix | trans | -59 | -30.2 | -170.9 | -173 | 60.8 | 0 | 0 | 0 | 112.5 | E101 E397 A398 V411 | E101-D395 VanDerWaalsContact OE2-CB 3.26Å; E101-D395 WeakPolarHBondContact OE2-CB 3.31Å; E101-D395 PolarHBondContact OE2-N 3.44Å; D395-E397 VanDerWaalsContact C-N 3.32Å; D395-E397 PolarHBondContact O-N 2.86Å; D395-A398 WeakPolarHBondContact O-CB 3.44Å; D395-A398 PolarHBondContact O-N 2.79Å; D395-V411 HydrophobicContact CB-CG2 4.14Å |
| 396 | T | 85.7 | Confident | 92.2 | Very high | 50 Ų | 50 | 31 Ų | 31 | 31% | 0.307 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -65.7 | -33.6 | 175.4 | 52.7 | 0 | 0 | 0 | 0 | 113 | A394 | A394-T396 PolarHBondContact O-N 2.93Å; A394-T396 VanDerWaalsContact O-N 3.11Å |
| 397 | E | 88.2 | Confident | 92.2 | Very high | 13 Ų | 13 | 30.9 Ų | 30.9 | 6% | 0.061 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -106.5 | 10.9 | -177.5 | -52.4 | -57.4 | 159.3 | 0 | 0 | 112.1 | I216 A394 D395 F399 E400 F401 | I216-E397 HydrophobicContact CG2-CG 4.47Å; A394-E397 CarbonylContact O-C 3.58Å; A394-E397 PolarHBondContact O-N 3.39Å; D395-E397 VanDerWaalsContact C-N 3.32Å; D395-E397 PolarHBondContact O-N 2.86Å; E397-F399 PolarHBondContact O-N 2.89Å; E397-F399 VanDerWaalsContact O-N 3.09Å; E397-E400 WeakPolarHBondContact O-CB 3.46Å; E397-E400 PolarHBondContact O-N 2.81Å; E397-F401 HydrophobicContact CB-CD2 4.14Å; E397-F401 HydrophobicContact CB-CE2 3.87Å; E397-F401 VanDerWaalsContact O-CD2 3.31Å; E397-F401 WeakPolarHBondContact O-CD2 3.41Å; E397-F401 PolarHBondContact O-N 3.47Å |
| 398 | A | 91.7 | Very high | 92.1 | Very high | 25 Ų | 25 | 32.8 Ų | 32.8 | 21% | 0.207 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.3 | -34.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A394 D395 S402 T409 | A394-A398 PolarHBondContact O-N 3.09Å; D395-A398 WeakPolarHBondContact O-CB 3.44Å; D395-A398 PolarHBondContact O-N 2.79Å; A398-S402 WeakPolarHBondContact O-CB 3.28Å; A398-S402 PolarHBondContact O-N 2.97Å; A398-S402 VanDerWaalsContact O-N 3.09Å; A398-T409 WeakPolarHBondContact CA-OG1 3.16Å; A398-T409 WeakPolarHBondContact CB-OG1 3.22Å |
| 399 | F | 90.7 | Very high | 91.9 | Very high | 142 Ų | 142 | 34 Ų | 34 | 62% | 0.623 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -68.1 | -38.3 | 176.1 | -176.2 | -103.3 | 0 | 0 | 0 | 112.6 | E397 S403 F639 | E397-F399 PolarHBondContact O-N 2.89Å; E397-F399 VanDerWaalsContact O-N 3.09Å; F399-S403 WeakPolarHBondContact O-CB 3.42Å; F399-S403 PolarHBondContact O-N 3.34Å; F399-S403 PolarHBondContact O-OG 3.39Å; F399-F639 AromaticContact CD1-CE1 3.83Å; F399-F639 HydrophobicContact CD1-CE1 3.83Å; F399-F639 HydrophobicContact CD1-CE2 4.48Å; F399-F639 AromaticContact CD1-CZ 3.76Å; F399-F639 HydrophobicContact CD1-CZ 3.76Å; F399-F639 AromaticContact CE1-CE1 3.53Å; F399-F639 HydrophobicContact CE1-CE1 3.53Å; F399-F639 AromaticContact CE1-CZ 3.56Å; F399-F639 HydrophobicContact CE1-CZ 3.56Å |
| 400 | E | 90.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.8 | -47.5 | 178.2 | -177 | 164.3 | 163.8 | 0 | 0 | 110.8 | I216 E397 S402 S403 I404 F639 R642 | I216-E400 HydrophobicContact CD1-CB 4.25Å; I216-E400 HydrophobicContact CD1-CG 3.67Å; I216-E400 WeakPolarHBondContact CD1-OE1 3.44Å; E397-E400 WeakPolarHBondContact O-CB 3.46Å; E397-E400 PolarHBondContact O-N 2.81Å; E400-S402 VanDerWaalsContact C-N 3.32Å; E400-S402 PolarHBondContact O-N 2.88Å; E400-S403 PolarHBondContact O-N 2.92Å; E400-S403 VanDerWaalsContact O-N 3.16Å; E400-I404 HydrophobicContact CG-CD1 3.63Å; E400-I404 HydrophobicContact CG-CG1 4.36Å; E400-I404 WeakPolarHBondContact O-CB 3.48Å; E400-I404 PolarHBondContact O-N 2.79Å; E400-F639 HydrophobicContact CB-CD2 3.82Å; E400-F639 HydrophobicContact CB-CE2 3.83Å; E400-F639 HydrophobicContact CG-CD2 3.67Å; E400-F639 HydrophobicContact CG-CE2 3.74Å; E400-F639 VanDerWaalsContact OE2-CD2 3.29Å; E400-F639 WeakPolarHBondContact OE2-CD2 3.44Å; E400-R642 VanDerWaalsContact CD-NH2 3.29Å; E400-R642 IonicContact OE1-CZ 2.87Å; E400-R642 IonicContact OE1-NE 2.69Å; E400-R642 PolarHBondContact OE1-NE 3.4Å; E400-R642 IonicContact OE1-NH1 2.57Å; E400-R642 PolarHBondContact OE1-NH1 2.68Å; E400-R642 IonicContact OE1-NH2 3.62Å; E400-R642 PolarHBondContact OE1-NH2 2.9Å; E400-R642 IonicContact OE2-CZ 3.43Å; E400-R642 IonicContact OE2-NE 3.08Å; E400-R642 IonicContact OE2-NH2 3.34Å; E400-R642 PolarHBondContact OE2-NH2 3.45Å |
| 401 | F | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.2 | -46 | 174.3 | -71.7 | -58.2 | 0 | 0 | 0 | 112.4 | I99 V211 D212 L215 I216 A394 E397 Y405 K406 L407 | I99-F401 HydrophobicContact CG1-CB 4.47Å; I99-F401 HydrophobicContact CG1-CD1 4.27Å; I99-F401 HydrophobicContact CG1-CD2 4.33Å; I99-F401 HydrophobicContact CG1-CG 4.13Å; V211-F401 HydrophobicContact CG1-CE1 4.46Å; V211-F401 HydrophobicContact CG1-CZ 4.17Å; V211-F401 HydrophobicContact CG2-CE1 4.16Å; D212-F401 HydrophobicContact CB-CZ 4.05Å; L215-F401 HydrophobicContact CB-CE1 4.11Å; L215-F401 HydrophobicContact CD1-CE1 4.46Å; I216-F401 HydrophobicContact CD1-CD1 4.12Å; I216-F401 HydrophobicContact CD1-CE1 3.82Å; I216-F401 HydrophobicContact CD1-CZ 4.13Å; I216-F401 HydrophobicContact CG1-CE1 3.76Å; I216-F401 HydrophobicContact CG1-CZ 3.74Å; A394-F401 HydrophobicContact CB-CD2 4.47Å; A394-F401 HydrophobicContact CB-CE2 3.89Å; E397-F401 HydrophobicContact CB-CD2 4.14Å; E397-F401 HydrophobicContact CB-CE2 3.87Å; E397-F401 VanDerWaalsContact O-CD2 3.31Å; E397-F401 WeakPolarHBondContact O-CD2 3.41Å; E397-F401 PolarHBondContact O-N 3.47Å; F401-Y405 HydrophobicContact CD1-CD2 4.39Å; F401-Y405 CarbonylContact O-C 3.58Å; F401-Y405 WeakPolarHBondContact O-CA 3.35Å; F401-Y405 WeakPolarHBondContact O-CB 3.32Å; F401-Y405 PolarHBondContact O-N 3.32Å; F401-K406 PolarHBondContact O-N 3.29Å; F401-K406 VanDerWaalsContact O-N 3.15Å; F401-L407 CarbonylContact C-O 3.59Å; F401-L407 HydrophobicContact CB-CB 4.45Å; F401-L407 PolarHBondContact O-N 3.47Å |
| 402 | S | 93.7 | Very high | 92.1 | Very high | 45 Ų | 45 | 36.6 Ų | 36.6 | 32% | 0.315 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.1 | -37.5 | 178.9 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | A398 E400 K406 L407 | A398-S402 WeakPolarHBondContact O-CB 3.28Å; A398-S402 PolarHBondContact O-N 2.97Å; A398-S402 VanDerWaalsContact O-N 3.09Å; E400-S402 VanDerWaalsContact C-N 3.32Å; E400-S402 PolarHBondContact O-N 2.88Å; S402-K406 VanDerWaalsContact O-CA 3.29Å; S402-K406 WeakPolarHBondContact O-CA 3.49Å; S402-K406 WeakPolarHBondContact O-CD 3.34Å; S402-K406 PolarHBondContact O-N 3.28Å; S402-L407 WeakPolarHBondContact CA-O 3.35Å; S402-L407 PolarHBondContact N-O 3.01Å |
| 403 | S | 90.6 | Very high | 92.3 | Very high | 38 Ų | 38 | 38.5 Ų | 38.5 | 27% | 0.266 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.4 | -47.3 | -178.2 | -65 | 0 | 0 | 0 | 0 | 112.2 | F399 E400 K406 | F399-S403 WeakPolarHBondContact O-CB 3.42Å; F399-S403 PolarHBondContact O-N 3.34Å; F399-S403 PolarHBondContact O-OG 3.39Å; E400-S403 PolarHBondContact O-N 2.92Å; E400-S403 VanDerWaalsContact O-N 3.16Å; S403-K406 PolarHBondContact O-NZ 2.97Å |
| 404 | I | 88.9 | Confident | 92.6 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -86.8 | -50.1 | -172.2 | -61.1 | 179.9 | 0 | 0 | 0 | 111.2 | Q378 E400 L646 | Q378-I404 HydrophobicContact CB-CG2 4.41Å; Q378-I404 HydrophobicContact CG-CG2 4.03Å; E400-I404 HydrophobicContact CG-CD1 3.63Å; E400-I404 HydrophobicContact CG-CG1 4.36Å; E400-I404 WeakPolarHBondContact O-CB 3.48Å; E400-I404 PolarHBondContact O-N 2.79Å; I404-L646 HydrophobicContact CB-CD2 4.27Å; I404-L646 HydrophobicContact CD1-CD2 4.08Å; I404-L646 HydrophobicContact CG1-CD2 3.85Å; I404-L646 HydrophobicContact CG2-CD2 3.68Å |
| 405 | Y | 92.7 | Very high | 92.8 | Very high | 15 Ų | 15 | 42 Ų | 42 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -104.6 | -4.9 | -171.1 | -58.7 | -83.9 | 0 | 0 | 0 | 114 | L215 Q378 F381 R382 L387 F401 L407 | L215-Y405 HydrophobicContact CB-CE1 4.5Å; L215-Y405 HydrophobicContact CB-CE2 3.76Å; L215-Y405 WeakPolarHBondContact CB-OH 3.3Å; L215-Y405 HydrophobicContact CD1-CD1 4.27Å; L215-Y405 HydrophobicContact CD1-CD2 4.32Å; L215-Y405 HydrophobicContact CD1-CE1 4.14Å; L215-Y405 HydrophobicContact CD1-CE2 4.2Å; L215-Y405 HydrophobicContact CD1-CG 4.33Å; L215-Y405 HydrophobicContact CD2-CE1 3.95Å; L215-Y405 HydrophobicContact CG-CE1 4.44Å; L215-Y405 HydrophobicContact CG-CE2 4.44Å; L215-Y405 PolarHBondContact O-OH 3.32Å; L215-Y405 VanDerWaalsContact O-OH 3.05Å; Q378-Y405 WeakPolarHBondContact CA-OH 3.4Å; Q378-Y405 HydrophobicContact CB-CE1 4.49Å; Q378-Y405 HydrophobicContact CG-CE1 4.39Å; Q378-Y405 HydrophobicContact CG-CE2 4.4Å; Q378-Y405 WeakPolarHBondContact CG-OH 3.04Å; F381-Y405 HydrophobicContact CB-CE1 4.29Å; R382-Y405 HydrophobicContact CG-CD1 4.13Å; L387-Y405 HydrophobicContact CD2-CD1 4Å; F401-Y405 HydrophobicContact CD1-CD2 4.39Å; F401-Y405 CarbonylContact O-C 3.58Å; F401-Y405 WeakPolarHBondContact O-CA 3.35Å; F401-Y405 WeakPolarHBondContact O-CB 3.32Å; F401-Y405 PolarHBondContact O-N 3.32Å; Y405-L407 PolarHBondContact O-N 3.35Å |
| 406 | K | 93.7 | Very high | 92.9 | Very high | 159 Ų | 159 | 44.2 Ų | 44.2 | 69% | 0.691 | 23% | 0.228 | S | C | * | . | trans | 58.6 | 28.7 | -173.3 | -48.6 | -51.8 | -179.3 | -158.8 | 0 | 113.2 | F401 S402 S403 | F401-K406 PolarHBondContact O-N 3.29Å; F401-K406 VanDerWaalsContact O-N 3.15Å; S402-K406 VanDerWaalsContact O-CA 3.29Å; S402-K406 WeakPolarHBondContact O-CA 3.49Å; S402-K406 WeakPolarHBondContact O-CD 3.34Å; S402-K406 PolarHBondContact O-N 3.28Å; S403-K406 PolarHBondContact O-NZ 2.97Å | ||
| 407 | L | 96.1 | Very high | 93.2 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -97.5 | 123.9 | 177.7 | -57.7 | 174.6 | 0 | 0 | 0 | 110.1 | R97 I99 L215 L387 F401 S402 Y405 | R97-L407 WeakPolarHBondContact O-CD2 3.2Å; I99-L407 HydrophobicContact CD1-CB 4.24Å; I99-L407 HydrophobicContact CD1-CD1 3.58Å; I99-L407 HydrophobicContact CD1-CG 4.5Å; I99-L407 HydrophobicContact CG1-CB 4Å; I99-L407 HydrophobicContact CG1-CD1 4.23Å; L215-L407 HydrophobicContact CD1-CD1 4.42Å; L387-L407 HydrophobicContact CB-CD2 4.39Å; L387-L407 HydrophobicContact CD2-CD1 3.84Å; L387-L407 HydrophobicContact CG-CD1 3.96Å; L387-L407 HydrophobicContact CG-CD2 4.48Å; L387-L407 VanDerWaalsContact O-CD2 3.22Å; L387-L407 WeakPolarHBondContact O-CD2 3.49Å; F401-L407 CarbonylContact C-O 3.59Å; F401-L407 HydrophobicContact CB-CB 4.45Å; F401-L407 PolarHBondContact O-N 3.47Å; S402-L407 WeakPolarHBondContact CA-O 3.35Å; S402-L407 PolarHBondContact N-O 3.01Å; Y405-L407 PolarHBondContact O-N 3.35Å |
| 408 | D | 95.9 | Very high | 93.3 | Very high | 53 Ų | 53 | 49.1 Ų | 49.1 | 28% | 0.283 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 143.1 | 170.2 | -77.8 | -52.2 | 0 | 0 | 0 | 110.4 | R13 C98 I99 | R13-D408 IonicContact CZ-OD1 2.95Å; R13-D408 IonicContact CZ-OD2 3.37Å; R13-D408 IonicContact NH1-OD1 3.68Å; R13-D408 PolarHBondContact NH1-OD1 3.04Å; R13-D408 IonicContact NH1-OD2 2.72Å; R13-D408 PolarHBondContact NH1-OD2 3.23Å; R13-D408 IonicContact NH2-OD1 2.75Å; R13-D408 PolarHBondContact NH2-OD1 3.2Å; R13-D408 IonicContact NH2-OD2 2.96Å; R13-D408 PolarHBondContact NH2-OD2 2.96Å; C98-D408 CarbonylContact C-O 3.59Å; C98-D408 WeakPolarHBondContact CA-O 3.04Å; C98-D408 VanDerWaalsContact CB-O 3.29Å; C98-D408 WeakPolarHBondContact CB-O 3.45Å; I99-D408 PolarHBondContact N-O 3.05Å |
| 409 | T | 95.9 | Very high | 93.4 | Very high | 26 Ų | 26 | 52.9 Ų | 52.9 | 16% | 0.16 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129.5 | 173.3 | -53.5 | 0 | 0 | 0 | 0 | 110.9 | I99 E101 A394 A398 | I99-T409 HydrophobicContact CB-CG2 4.45Å; I99-T409 HydrophobicContact CG2-CG2 4.42Å; E101-T409 HydrophobicContact CB-CG2 4.42Å; A394-T409 HydrophobicContact CB-CG2 3.51Å; A398-T409 WeakPolarHBondContact CA-OG1 3.16Å; A398-T409 WeakPolarHBondContact CB-OG1 3.22Å |
| 410 | V | 97 | Very high | 93.6 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.3 | 174 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | N14 T17 L18 V93 C98 I99 E101 V412 | N14-V410 WeakPolarHBondContact OD1-CA 3.5Å; N14-V410 VanDerWaalsContact OD1-CG1 3.26Å; N14-V410 WeakPolarHBondContact OD1-CG1 3.3Å; T17-V410 HydrophobicContact CG2-CG2 4.39Å; L18-V410 HydrophobicContact CD2-CG1 3.95Å; L18-V410 HydrophobicContact CG-CG1 4.37Å; V93-V410 HydrophobicContact CB-CB 4.49Å; V93-V410 HydrophobicContact CG1-CB 3.74Å; V93-V410 HydrophobicContact CG1-CG1 4.47Å; V93-V410 HydrophobicContact CG1-CG2 3.99Å; V93-V410 HydrophobicContact CG2-CB 3.82Å; V93-V410 HydrophobicContact CG2-CG1 3.63Å; V93-V410 HydrophobicContact CG2-CG2 4.22Å; C98-V410 HydrophobicContact CB-CG2 4.31Å; I99-V410 PolarHBondContact O-N 3.42Å; E101-V410 PolarHBondContact N-O 3.44Å; V410-V412 PolarHBondContact O-N 3.16Å |
| 411 | V | 96.1 | Very high | 93.8 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 27% | 0.267 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 109.6 | 178 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | N14 E101 D395 | N14-V411 PolarHBondContact ND2-O 3Å; N14-V411 PolarHBondContact OD1-N 3.15Å; E101-V411 HydrophobicContact CB-CG2 4.27Å; D395-V411 HydrophobicContact CB-CG2 4.14Å |
| 412 | V | 96.3 | Very high | 93.8 | Very high | 6 Ų | 6 | 58.2 Ų | 58.2 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -82 | 131.8 | 179 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | V86 L89 A100 E101 M102 V410 | V86-V412 HydrophobicContact CB-CG1 4.11Å; V86-V412 VanDerWaalsContact O-CG1 3.28Å; V86-V412 WeakPolarHBondContact O-CG1 3.48Å; L89-V412 HydrophobicContact CB-CG1 4.27Å; A100-V412 HydrophobicContact CB-CG2 4.4Å; E101-V412 PolarHBondContact O-N 3.41Å; M102-V412 HydrophobicContact CE-CG1 4.48Å; M102-V412 HydrophobicContact CG-CB 3.9Å; M102-V412 HydrophobicContact CG-CG1 4.34Å; M102-V412 HydrophobicContact CG-CG2 3.92Å; V410-V412 PolarHBondContact O-N 3.16Å |
| 413 | P | 94.3 | Very high | 93.8 | Very high | 47 Ų | 47 | 58.3 Ų | 58.3 | 31% | 0.305 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 153.6 | 177.8 | 27.9 | -34.7 | 0 | 0 | 0 | 111.3 | V86 L89 | V86-P413 WeakPolarHBondContact CB-O 3.02Å; V86-P413 HydrophobicContact CG1-CG 4.12Å; V86-P413 WeakPolarHBondContact CG1-O 3.42Å; L89-P413 HydrophobicContact CD1-CG 4.43Å |
| 414 | T | 93.5 | Very high | 93.9 | Very high | 34 Ų | 34 | 58.2 Ų | 58.2 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 149.1 | 173.7 | 55.2 | 0 | 0 | 0 | 0 | 111.2 | R103 E106 R416 | R103-T414 HydrophobicContact CB-CG2 4.18Å; R103-T414 HydrophobicContact CG-CG2 3.98Å; E106-T414 HydrophobicContact CG-CG2 4.47Å; E106-T414 VanDerWaalsContact OE1-CB 3.23Å; E106-T414 WeakPolarHBondContact OE1-CB 3.36Å; E106-T414 WeakPolarHBondContact OE1-CG2 3.43Å; T414-R416 VanDerWaalsContact C-N 3.34Å; T414-R416 WeakPolarHBondContact CB-O 3.22Å; T414-R416 PolarHBondContact OG1-O 3.35Å |
| 415 | N | 94.1 | Very high | 94.1 | Very high | 53 Ų | 53 | 57.6 Ų | 57.6 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -61 | -44.4 | 176 | 179.6 | 46.2 | 0 | 0 | 0 | 111.7 | F84 V86 E106 Q578 | F84-N415 HydrophobicContact CD2-CB 4.21Å; F84-N415 HydrophobicContact CG-CB 4.38Å; V86-N415 HydrophobicContact CG2-CB 3.85Å; E106-N415 WeakPolarHBondContact OE2-CB 3.45Å; E106-N415 PolarHBondContact OE2-N 3.36Å; N415-Q578 PolarHBondContact ND2-OE1 2.77Å |
| 416 | R | 92.3 | Very high | 94.2 | Very high | 150 Ų | 150 | 57.4 Ų | 57.4 | 57% | 0.566 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -117.8 | 151.4 | 175 | -71.1 | 177 | 174.1 | -174.3 | 3.9 | 110.5 | T414 M418 Q578 | T414-R416 VanDerWaalsContact C-N 3.34Å; T414-R416 WeakPolarHBondContact CB-O 3.22Å; T414-R416 PolarHBondContact OG1-O 3.35Å; R416-M418 PolarHBondContact O-N 3.26Å; R416-Q578 WeakPolarHBondContact CD-O 3.41Å |
| 417 | P | 91.9 | Very high | 94.1 | Very high | 103 Ų | 103 | 50 Ų | 50 | 67% | 0.669 | 26% | 0.258 | S | S | * | . | trans | -58.6 | 133.4 | 176.3 | -23.5 | 34.1 | 0 | 0 | 0 | 111.6 | I419 G579 | P417-I419 PolarHBondContact O-N 3.26Å; P417-G579 WeakPolarHBondContact O-CA 3.05Å | ||
| 418 | M | 89.8 | Confident | 93.9 | Very high | 62 Ų | 62 | 50.6 Ų | 50.6 | 31% | 0.305 | 26% | 0.26 | S | S | . | . | trans | -76.1 | 121.6 | 174 | -176.9 | -80.7 | -70.6 | 0 | 0 | 109.8 | R103 R416 R420 | R103-M418 VanDerWaalsContact NH1-CG 3.31Å; R416-M418 PolarHBondContact O-N 3.26Å; M418-R420 HydrophobicContact CG-CB 4.39Å; M418-R420 HydrophobicContact SD-CB 3.57Å; M418-R420 VanDerWaalsContact SD-CB 3.57Å; M418-R420 PolarHBondContact SD-N 3.19Å | ||
| 419 | I | 93.4 | Very high | 93.4 | Very high | 104 Ų | 104 | 49.5 Ų | 49.5 | 53% | 0.533 | 25% | 0.254 | S | S | . | . | trans | -113.8 | 6.3 | -176.8 | 64.4 | 170.3 | 0 | 0 | 0 | 113.8 | P417 G579 | P417-I419 PolarHBondContact O-N 3.26Å; I419-G579 WeakPolarHBondContact CD1-O 3.31Å; I419-G579 VanDerWaalsContact CG1-O 3.31Å; I419-G579 WeakPolarHBondContact CG1-O 3.38Å | ||
| 420 | R | 94.3 | Very high | 93.2 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | trans | -58.6 | 139.6 | 177.1 | -174 | -174.5 | 62.7 | -127 | -0.5 | 110.8 | M418 D422 R572 S575 G582 | M418-R420 HydrophobicContact CG-CB 4.39Å; M418-R420 HydrophobicContact SD-CB 3.57Å; M418-R420 VanDerWaalsContact SD-CB 3.57Å; M418-R420 PolarHBondContact SD-N 3.19Å; R420-D422 IonicContact CZ-OD1 3.95Å; R420-D422 IonicContact CZ-OD2 2.72Å; R420-D422 IonicContact NE-OD1 3.36Å; R420-D422 PolarHBondContact NE-OD1 3.15Å; R420-D422 IonicContact NE-OD2 3.98Å; R420-D422 IonicContact NH2-OD1 2.9Å; R420-D422 PolarHBondContact NH2-OD1 3.17Å; R420-D422 IonicContact NH2-OD2 3.15Å; R420-D422 PolarHBondContact NH2-OD2 2.87Å; R420-R572 PolarHBondContact NH1-O 3.26Å; R420-R572 VanDerWaalsContact NH1-O 3.15Å; R420-S575 WeakPolarHBondContact CD-OG 3.49Å; R420-S575 PolarHBondContact NH1-O 2.66Å; R420-G582 WeakPolarHBondContact CA-O 3.18Å; R420-G582 WeakPolarHBondContact CG-O 3.42Å | ||
| 421 | K | 94.8 | Very high | 92.9 | Very high | 149 Ų | 149 | 52.1 Ų | 52.1 | 65% | 0.648 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 103.2 | 175.1 | -62.9 | 177.9 | -176.5 | 174.6 | 0 | 110.6 | L423 G582 S583 S584 | K421-L423 PolarHBondContact O-N 3.35Å; K421-G582 PolarHBondContact N-O 3.45Å; K421-S583 CarbonylContact O-C 3.55Å; K421-S583 WeakPolarHBondContact O-CA 3.35Å; K421-S583 WeakPolarHBondContact O-CB 3.39Å; K421-S584 PolarHBondContact O-N 3.44Å |
| 422 | D | 94.1 | Very high | 92.8 | Very high | 71 Ų | 71 | 53.5 Ų | 53.5 | 38% | 0.38 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 99.5 | 170.8 | -69 | -23.5 | 0 | 0 | 0 | 109.1 | R420 S584 | R420-D422 IonicContact CZ-OD1 3.95Å; R420-D422 IonicContact CZ-OD2 2.72Å; R420-D422 IonicContact NE-OD1 3.36Å; R420-D422 PolarHBondContact NE-OD1 3.15Å; R420-D422 IonicContact NE-OD2 3.98Å; R420-D422 IonicContact NH2-OD1 2.9Å; R420-D422 PolarHBondContact NH2-OD1 3.17Å; R420-D422 IonicContact NH2-OD2 3.15Å; R420-D422 PolarHBondContact NH2-OD2 2.87Å; D422-S584 PolarHBondContact OD1-OG 3.43Å |
| 423 | L | 94.1 | Very high | 92.7 | Very high | 47 Ų | 47 | 55.2 Ų | 55.2 | 25% | 0.246 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 153.3 | -176.9 | -58.4 | 173.4 | 0 | 0 | 0 | 110.7 | K421 S584 R585 | K421-L423 PolarHBondContact O-N 3.35Å; L423-S584 WeakPolarHBondContact CB-O 3.2Å; L423-S584 PolarHBondContact N-O 2.95Å; L423-R585 HydrophobicContact CB-CB 4.17Å; L423-R585 HydrophobicContact CB-CG 4.38Å; L423-R585 HydrophobicContact CD1-CB 4.35Å |
| 424 | P | 93.4 | Very high | 92.7 | Very high | 37 Ų | 37 | 53.1 Ų | 53.1 | 24% | 0.24 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 159.7 | 173.5 | -19.4 | 31.9 | 0 | 0 | 0 | 112.3 | E619 | P424-E619 HydrophobicContact CB-CG 3.87Å; P424-E619 HydrophobicContact CG-CG 4.34Å |
| 425 | D | 92.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 144.3 | 179.4 | -63.4 | -14.3 | 0 | 0 | 0 | 110.8 | R561 F586 L588 T624 I627 | D425-R561 IonicContact OD1-CZ 3.87Å; D425-R561 IonicContact OD1-NE 3.33Å; D425-R561 IonicContact OD1-NH2 3.7Å; D425-R561 PolarHBondContact OD1-NH2 3.5Å; D425-R561 IonicContact OD2-CZ 2.99Å; D425-R561 IonicContact OD2-NE 2.81Å; D425-R561 PolarHBondContact OD2-NE 2.54Å; D425-R561 VanDerWaalsContact OD2-NE 3.08Å; D425-R561 IonicContact OD2-NH2 3.82Å; D425-R561 PolarHBondContact OD2-NH2 3.47Å; D425-F586 WeakPolarHBondContact CA-O 3.37Å; D425-F586 WeakPolarHBondContact OD1-CB 3.33Å; D425-L588 HydrophobicContact CB-CD1 3.65Å; D425-T624 PolarHBondContact N-OG1 3.02Å; D425-T624 VanDerWaalsContact N-OG1 3.1Å; D425-I627 HydrophobicContact CB-CD1 4.37Å |
| 426 | L | 93.9 | Very high | 92.9 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 118.4 | 173.3 | -62.9 | -174.6 | 0 | 0 | 0 | 109.5 | Y428 F586 Y587 L588 A617 E619 | L426-Y428 HydrophobicContact CB-CE2 3.72Å; L426-F586 PolarHBondContact N-O 2.98Å; L426-Y587 HydrophobicContact CB-CD1 4.29Å; L426-Y587 HydrophobicContact CD1-CD1 4.2Å; L426-Y587 HydrophobicContact CD1-CE1 3.59Å; L426-Y587 CarbonylContact O-C 3.58Å; L426-Y587 WeakPolarHBondContact O-CA 3.34Å; L426-L588 PolarHBondContact O-N 3.15Å; L426-A617 HydrophobicContact CB-CB 4.04Å; L426-A617 HydrophobicContact CD2-CB 4.01Å; L426-A617 HydrophobicContact CG-CB 4.44Å; L426-E619 HydrophobicContact CD2-CB 3.55Å; L426-E619 HydrophobicContact CD2-CG 3.61Å |
| 427 | V | 90.9 | Very high | 93 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 124.3 | 180 | -172.3 | 0 | 0 | 0 | 0 | 110.1 | L588 M590 M595 I618 V623 I627 | V427-L588 HydrophobicContact CG2-CB 4.35Å; V427-L588 HydrophobicContact CG2-CD1 4.4Å; V427-M590 HydrophobicContact CG1-SD 3.96Å; V427-M595 HydrophobicContact CG1-CE 4.27Å; V427-I618 HydrophobicContact CB-CB 4.45Å; V427-I618 PolarHBondContact N-O 2.96Å; V427-I618 PolarHBondContact O-N 2.96Å; V427-V623 HydrophobicContact CG2-CG1 3.73Å; V427-I627 HydrophobicContact CG2-CD1 4.27Å |
| 428 | Y | 92.1 | Very high | 93.3 | Very high | 17 Ų | 17 | 43.1 Ų | 43.1 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 163 | 178.2 | -62.2 | -88.9 | 0 | 0 | 0 | 111.3 | L426 E433 K434 A437 Y587 L588 S589 M590 A617 | L426-Y428 HydrophobicContact CB-CE2 3.72Å; Y428-E433 HydrophobicContact CD1-CB 3.98Å; Y428-E433 HydrophobicContact CG-CB 4.29Å; Y428-K434 HydrophobicContact CD2-CB 4.03Å; Y428-K434 HydrophobicContact CD2-CG 4.45Å; Y428-K434 HydrophobicContact CG-CB 4.35Å; Y428-A437 HydrophobicContact CE1-CB 3.83Å; Y428-A437 HydrophobicContact CE2-CB 3.89Å; Y428-A437 WeakPolarHBondContact OH-CB 3.08Å; Y428-Y587 AromaticContact CE2-CD1 3.77Å; Y428-Y587 HydrophobicContact CE2-CD1 3.77Å; Y428-Y587 HydrophobicContact CE2-CE1 4.46Å; Y428-L588 WeakPolarHBondContact CD2-O 3.27Å; Y428-L588 PolarHBondContact N-O 3.43Å; Y428-S589 WeakPolarHBondContact O-CA 3.35Å; Y428-M590 PolarHBondContact O-N 2.94Å; Y428-A617 HydrophobicContact CD1-CB 4.28Å; Y428-A617 HydrophobicContact CE1-CB 3.65Å; Y428-A617 HydrophobicContact CE2-CB 4.15Å |
| 429 | M | 86.8 | Confident | 93.6 | Very high | 30 Ų | 30 | 40.4 Ų | 40.4 | 15% | 0.148 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -76.9 | -37.2 | 179.2 | -75.1 | -59.9 | -51.7 | 0 | 0 | 112.4 | E433 M590 M607 R608 M612 | M429-E433 WeakPolarHBondContact CB-OE2 3.31Å; M429-E433 PolarHBondContact N-OE2 2.85Å; M429-M590 HydrophobicContact SD-CG 4.16Å; M429-M607 HydrophobicContact SD-CB 4.39Å; M429-R608 HydrophobicContact CE-CG 3.63Å; M429-M612 HydrophobicContact CG-CE 4.33Å; M429-M612 HydrophobicContact CG-SD 4.3Å; M429-M612 HydrophobicContact SD-SD 4.19Å |
| 430 | T | 90.2 | Very high | 93.8 | Very high | 47 Ų | 47 | 39.7 Ų | 39.7 | 29% | 0.288 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -126.1 | 156.6 | -177.3 | 64.4 | 0 | 0 | 0 | 0 | 112 | A432 E433 K434 S589 | T430-A432 VanDerWaalsContact C-N 3.28Å; T430-A432 PolarHBondContact O-N 3.32Å; T430-E433 PolarHBondContact N-OE2 3.35Å; T430-E433 VanDerWaalsContact N-OE2 3.09Å; T430-E433 PolarHBondContact O-N 3.33Å; T430-E433 VanDerWaalsContact OG1-CG 3.23Å; T430-E433 WeakPolarHBondContact OG1-CG 3.43Å; T430-E433 PolarHBondContact OG1-N 2.91Å; T430-E433 PolarHBondContact OG1-OE2 3.08Å; T430-E433 VanDerWaalsContact OG1-OE2 3.09Å; T430-K434 PolarHBondContact O-N 3.2Å; T430-S589 WeakPolarHBondContact CA-OG 3.44Å |
| 431 | E | 92.5 | Very high | 93.9 | Very high | 42 Ų | 42 | 38.6 Ų | 38.6 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63 | -35 | 174.3 | 173.2 | 151.7 | -117.5 | 0 | 0 | 112.3 | E433 K434 I435 K461 L464 S589 E591 | E431-E433 PolarHBondContact O-N 3.38Å; E431-K434 WeakPolarHBondContact O-CB 3.37Å; E431-K434 PolarHBondContact O-N 3.2Å; E431-K434 IonicContact OE1-NZ 3.4Å; E431-K434 PolarHBondContact OE1-NZ 3.22Å; E431-I435 HydrophobicContact CG-CD1 3.68Å; E431-I435 HydrophobicContact CG-CG1 4.29Å; E431-I435 WeakPolarHBondContact O-CG1 3.37Å; E431-I435 PolarHBondContact O-N 2.73Å; E431-K461 IonicContact OE1-NZ 3.98Å; E431-K461 PolarHBondContact OE1-NZ 2.97Å; E431-K461 IonicContact OE2-NZ 3.51Å; E431-K461 PolarHBondContact OE2-NZ 2.81Å; E431-L464 HydrophobicContact CG-CD2 4.49Å; E431-S589 PolarHBondContact N-OG 3Å; E431-S589 VanDerWaalsContact N-OG 3.12Å; E431-E591 WeakPolarHBondContact CB-OE2 3.3Å; E431-E591 PolarHBondContact N-OE2 3.37Å |
| 432 | A | 92.9 | Very high | 94 | Very high | 73 Ų | 73 | 31.5 Ų | 31.5 | 60% | 0.603 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -62.2 | -44.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T430 I435 Q436 | T430-A432 VanDerWaalsContact C-N 3.28Å; T430-A432 PolarHBondContact O-N 3.32Å; A432-I435 PolarHBondContact O-N 3.06Å; A432-Q436 WeakPolarHBondContact O-CB 3.32Å; A432-Q436 PolarHBondContact O-N 3.48Å |
| 433 | E | 93.6 | Very high | 94.2 | Very high | 41 Ų | 41 | 31.6 Ų | 31.6 | 19% | 0.192 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | 176.1 | -70.1 | 167.4 | 148.4 | 0 | 0 | 111.8 | Y428 M429 T430 E431 I435 Q436 A437 P614 G615 | Y428-E433 HydrophobicContact CD1-CB 3.98Å; Y428-E433 HydrophobicContact CG-CB 4.29Å; M429-E433 WeakPolarHBondContact CB-OE2 3.31Å; M429-E433 PolarHBondContact N-OE2 2.85Å; T430-E433 PolarHBondContact N-OE2 3.35Å; T430-E433 VanDerWaalsContact N-OE2 3.09Å; T430-E433 PolarHBondContact O-N 3.33Å; T430-E433 VanDerWaalsContact OG1-CG 3.23Å; T430-E433 WeakPolarHBondContact OG1-CG 3.43Å; T430-E433 PolarHBondContact OG1-N 2.91Å; T430-E433 PolarHBondContact OG1-OE2 3.08Å; T430-E433 VanDerWaalsContact OG1-OE2 3.09Å; E431-E433 PolarHBondContact O-N 3.38Å; E433-I435 PolarHBondContact O-N 3.31Å; E433-Q436 PolarHBondContact O-N 2.97Å; E433-A437 PolarHBondContact O-N 3.12Å; E433-P614 VanDerWaalsContact OE1-CA 3.3Å; E433-P614 WeakPolarHBondContact OE1-CA 3.32Å; E433-G615 PolarHBondContact OE1-N 2.84Å |
| 434 | K | 94.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55 | -50.3 | 174.7 | 176.4 | -169.9 | 74 | 178.9 | 0 | 111.2 | Y428 T430 E431 A437 I438 T559 E560 D592 | Y428-K434 HydrophobicContact CD2-CB 4.03Å; Y428-K434 HydrophobicContact CD2-CG 4.45Å; Y428-K434 HydrophobicContact CG-CB 4.35Å; T430-K434 PolarHBondContact O-N 3.2Å; E431-K434 WeakPolarHBondContact O-CB 3.37Å; E431-K434 PolarHBondContact O-N 3.2Å; E431-K434 IonicContact OE1-NZ 3.4Å; E431-K434 PolarHBondContact OE1-NZ 3.22Å; K434-A437 PolarHBondContact O-N 2.97Å; K434-I438 HydrophobicContact CG-CD1 4.14Å; K434-I438 WeakPolarHBondContact O-CG1 3.28Å; K434-I438 PolarHBondContact O-N 3.11Å; K434-T559 WeakPolarHBondContact CD-O 3.5Å; K434-E560 IonicContact NZ-OE1 3.13Å; K434-E560 PolarHBondContact NZ-OE1 3.27Å; K434-D592 IonicContact NZ-OD1 2.73Å; K434-D592 PolarHBondContact NZ-OD1 3.27Å |
| 435 | I | 95.9 | Very high | 94.4 | Very high | 14 Ų | 14 | 34.1 Ų | 34.1 | 7% | 0.072 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.6 | -42.4 | -178.7 | -67.1 | 167.1 | 0 | 0 | 0 | 111.1 | E431 A432 E433 A437 I438 I439 L464 E468 | E431-I435 HydrophobicContact CG-CD1 3.68Å; E431-I435 HydrophobicContact CG-CG1 4.29Å; E431-I435 WeakPolarHBondContact O-CG1 3.37Å; E431-I435 PolarHBondContact O-N 2.73Å; A432-I435 PolarHBondContact O-N 3.06Å; E433-I435 PolarHBondContact O-N 3.31Å; I435-A437 VanDerWaalsContact C-N 3.28Å; I435-A437 PolarHBondContact O-N 3.34Å; I435-I438 WeakPolarHBondContact O-CB 3.49Å; I435-I438 PolarHBondContact O-N 2.73Å; I435-I439 HydrophobicContact CG2-CD1 3.92Å; I435-I439 HydrophobicContact CG2-CG1 4.45Å; I435-I439 WeakPolarHBondContact O-CG1 3.29Å; I435-I439 PolarHBondContact O-N 3.28Å; I435-L464 HydrophobicContact CD1-CD2 3.41Å; I435-L464 VanDerWaalsContact CD1-CD2 3.41Å; I435-L464 HydrophobicContact CD1-CG 4.01Å; I435-E468 HydrophobicContact CG2-CB 3.85Å; I435-E468 HydrophobicContact CG2-CG 3.88Å |
| 436 | Q | 95.7 | Very high | 94.5 | Very high | 95 Ų | 95 | 35.6 Ų | 35.6 | 44% | 0.444 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.8 | -40.9 | 176.5 | -173.7 | 59.4 | 41.4 | 0 | 0 | 111.7 | A432 E433 I439 E440 | A432-Q436 WeakPolarHBondContact O-CB 3.32Å; A432-Q436 PolarHBondContact O-N 3.48Å; E433-Q436 PolarHBondContact O-N 2.97Å; Q436-I439 PolarHBondContact O-N 3.02Å; Q436-E440 PolarHBondContact NE2-OE1 3.19Å; Q436-E440 VanDerWaalsContact NE2-OE1 3.12Å; Q436-E440 PolarHBondContact O-N 3.03Å; Q436-E440 VanDerWaalsContact O-N 3.07Å |
| 437 | A | 95.8 | Very high | 94.6 | Very high | 21 Ų | 21 | 39.3 Ų | 39.3 | 17% | 0.174 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66 | -39 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y428 E433 K434 I435 I439 E440 D441 Y587 | Y428-A437 HydrophobicContact CE1-CB 3.83Å; Y428-A437 HydrophobicContact CE2-CB 3.89Å; Y428-A437 WeakPolarHBondContact OH-CB 3.08Å; E433-A437 PolarHBondContact O-N 3.12Å; K434-A437 PolarHBondContact O-N 2.97Å; I435-A437 VanDerWaalsContact C-N 3.28Å; I435-A437 PolarHBondContact O-N 3.34Å; A437-I439 VanDerWaalsContact C-N 3.31Å; A437-I439 PolarHBondContact O-N 2.71Å; A437-E440 PolarHBondContact O-N 2.99Å; A437-D441 PolarHBondContact O-N 3.28Å; A437-Y587 HydrophobicContact CB-CD1 4.07Å; A437-Y587 HydrophobicContact CB-CE1 4Å |
| 438 | I | 97 | Very high | 94.8 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 173.4 | -70.2 | 161.9 | 0 | 0 | 0 | 110.4 | K434 I435 D441 I442 I557 T559 Y587 | K434-I438 HydrophobicContact CG-CD1 4.14Å; K434-I438 WeakPolarHBondContact O-CG1 3.28Å; K434-I438 PolarHBondContact O-N 3.11Å; I435-I438 WeakPolarHBondContact O-CB 3.49Å; I435-I438 PolarHBondContact O-N 2.73Å; I438-D441 PolarHBondContact O-N 3.35Å; I438-I442 HydrophobicContact CG2-CD1 3.65Å; I438-I442 HydrophobicContact CG2-CG1 4.43Å; I438-I442 VanDerWaalsContact O-CG1 3.25Å; I438-I442 WeakPolarHBondContact O-CG1 3.46Å; I438-I442 PolarHBondContact O-N 3.15Å; I438-I557 HydrophobicContact CG1-CG2 4.19Å; I438-I557 HydrophobicContact CG2-CD1 4.36Å; I438-I557 HydrophobicContact CG2-CG2 4.12Å; I438-T559 HydrophobicContact CD1-CG2 4.01Å; I438-Y587 HydrophobicContact CD1-CG 4.24Å; I438-Y587 HydrophobicContact CG1-CD1 3.81Å; I438-Y587 HydrophobicContact CG1-CD2 3.88Å; I438-Y587 HydrophobicContact CG1-CE1 4.45Å; I438-Y587 HydrophobicContact CG1-CE2 4.49Å; I438-Y587 HydrophobicContact CG1-CG 3.53Å |
| 439 | I | 97.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 179.1 | -68.6 | 166.1 | 0 | 0 | 0 | 111.2 | I435 Q436 A437 I442 K443 E468 L469 A472 I474 | I435-I439 HydrophobicContact CG2-CD1 3.92Å; I435-I439 HydrophobicContact CG2-CG1 4.45Å; I435-I439 WeakPolarHBondContact O-CG1 3.29Å; I435-I439 PolarHBondContact O-N 3.28Å; Q436-I439 PolarHBondContact O-N 3.02Å; A437-I439 VanDerWaalsContact C-N 3.31Å; A437-I439 PolarHBondContact O-N 2.71Å; I439-I442 PolarHBondContact O-N 3.27Å; I439-K443 HydrophobicContact CG2-CD 4.34Å; I439-K443 WeakPolarHBondContact O-CG 3.39Å; I439-K443 PolarHBondContact O-N 2.82Å; I439-E468 HydrophobicContact CD1-CB 3.76Å; I439-L469 HydrophobicContact CG1-CD2 4.14Å; I439-A472 HydrophobicContact CG2-CB 3.72Å; I439-I474 HydrophobicContact CG2-CD1 3.99Å |
| 440 | E | 96.4 | Very high | 95.4 | Very high | 89 Ų | 89 | 44.5 Ų | 44.5 | 42% | 0.416 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 179.1 | -66.7 | -51.4 | 139.6 | 0 | 0 | 112.4 | Q436 A437 K443 E444 | Q436-E440 PolarHBondContact NE2-OE1 3.19Å; Q436-E440 VanDerWaalsContact NE2-OE1 3.12Å; Q436-E440 PolarHBondContact O-N 3.03Å; Q436-E440 VanDerWaalsContact O-N 3.07Å; A437-E440 PolarHBondContact O-N 2.99Å; E440-K443 PolarHBondContact O-N 2.99Å; E440-K443 IonicContact OE1-NZ 3.96Å; E440-K443 PolarHBondContact OE1-NZ 2.87Å; E440-K443 IonicContact OE2-NZ 3.7Å; E440-E444 PolarHBondContact O-N 3.29Å |
| 441 | D | 96.9 | Very high | 95.7 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63 | -42.3 | 173.9 | -169 | 24.3 | 0 | 0 | 0 | 111.6 | A437 I438 E444 R445 H555 Y587 | A437-D441 PolarHBondContact O-N 3.28Å; I438-D441 PolarHBondContact O-N 3.35Å; D441-E444 PolarHBondContact O-N 3.14Å; D441-R445 WeakPolarHBondContact O-CB 3.45Å; D441-R445 VanDerWaalsContact O-CG 3.27Å; D441-R445 WeakPolarHBondContact O-CG 3.44Å; D441-R445 PolarHBondContact O-N 3.1Å; D441-R445 VanDerWaalsContact O-N 3.1Å; D441-R445 IonicContact OD1-CZ 3.47Å; D441-R445 IonicContact OD1-NE 2.57Å; D441-R445 PolarHBondContact OD1-NE 2.69Å; D441-R445 IonicContact OD1-NH2 3.68Å; D441-R445 PolarHBondContact OD1-NH2 2.74Å; D441-R445 IonicContact OD2-NE 2.73Å; D441-R445 IonicContact OD2-NH2 3.08Å; D441-H555 IonicContact OD2-NE2 3.87Å; D441-H555 PolarHBondContact OD2-NE2 3.08Å; D441-Y587 WeakPolarHBondContact CB-OH 3.32Å; D441-Y587 PolarHBondContact OD2-OH 3.2Å |
| 442 | I | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.9 | -44.9 | 175.2 | -69.2 | 165.7 | 0 | 0 | 0 | 110.9 | I438 I439 R445 T446 V452 V454 L469 I474 V500 I557 | I438-I442 HydrophobicContact CG2-CD1 3.65Å; I438-I442 HydrophobicContact CG2-CG1 4.43Å; I438-I442 VanDerWaalsContact O-CG1 3.25Å; I438-I442 WeakPolarHBondContact O-CG1 3.46Å; I438-I442 PolarHBondContact O-N 3.15Å; I439-I442 PolarHBondContact O-N 3.27Å; I442-R445 PolarHBondContact O-N 3.45Å; I442-T446 HydrophobicContact CG2-CG2 4.05Å; I442-T446 WeakPolarHBondContact O-CB 3.42Å; I442-T446 VanDerWaalsContact O-CG2 3.23Å; I442-T446 WeakPolarHBondContact O-CG2 3.43Å; I442-T446 PolarHBondContact O-N 2.89Å; I442-T446 PolarHBondContact O-OG1 3.45Å; I442-V452 HydrophobicContact CG1-CG1 4.11Å; I442-V454 HydrophobicContact CD1-CG2 3.76Å; I442-L469 HydrophobicContact CD1-CD1 4.38Å; I442-L469 HydrophobicContact CD1-CD2 3.76Å; I442-L469 HydrophobicContact CG2-CD2 4.41Å; I442-I474 HydrophobicContact CG2-CD1 4.2Å; I442-I474 HydrophobicContact CG2-CG2 4.06Å; I442-V500 HydrophobicContact CG2-CG1 4.16Å; I442-V500 HydrophobicContact CG2-CG2 3.66Å; I442-I557 HydrophobicContact CD1-CD1 4.15Å; I442-I557 HydrophobicContact CG1-CD1 3.61Å |
| 443 | K | 97.1 | Very high | 96.1 | Very high | 73 Ų | 73 | 37.1 Ų | 37.1 | 32% | 0.317 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.5 | -47.3 | 177.3 | -73.2 | 175.4 | -173.3 | 165 | 0 | 111.9 | I439 E440 R445 T446 A447 I474 | I439-K443 HydrophobicContact CG2-CD 4.34Å; I439-K443 WeakPolarHBondContact O-CG 3.39Å; I439-K443 PolarHBondContact O-N 2.82Å; E440-K443 PolarHBondContact O-N 2.99Å; E440-K443 IonicContact OE1-NZ 3.96Å; E440-K443 PolarHBondContact OE1-NZ 2.87Å; E440-K443 IonicContact OE2-NZ 3.7Å; K443-R445 VanDerWaalsContact C-N 3.29Å; K443-R445 PolarHBondContact O-N 2.83Å; K443-T446 PolarHBondContact O-OG1 3.15Å; K443-A447 VanDerWaalsContact O-CB 3.23Å; K443-A447 WeakPolarHBondContact O-CB 3.42Å; K443-A447 PolarHBondContact O-N 3.44Å; K443-I474 HydrophobicContact CG-CD1 3.71Å; K443-I474 HydrophobicContact CG-CG1 4.35Å |
| 444 | E | 96.2 | Very high | 96.3 | Very high | 109 Ų | 109 | 35.1 Ų | 35.1 | 51% | 0.509 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.5 | -40.7 | -178.8 | -167.6 | -168.6 | 149.8 | 0 | 0 | 111.8 | E440 D441 K448 | E440-E444 PolarHBondContact O-N 3.29Å; D441-E444 PolarHBondContact O-N 3.14Å; E444-K448 WeakPolarHBondContact O-CG 3.5Å; E444-K448 IonicContact OE1-NZ 3.99Å; E444-K448 PolarHBondContact OE1-NZ 3.43Å |
| 445 | R | 96.2 | Very high | 96.2 | Very high | 29 Ų | 29 | 35.2 Ų | 35.2 | 11% | 0.109 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -76.2 | -46.7 | -177.5 | -71.1 | 179.4 | -173.3 | -88.5 | 3.1 | 113.1 | D441 I442 K443 A447 K448 G449 Q450 V452 H555 S583 | D441-R445 WeakPolarHBondContact O-CB 3.45Å; D441-R445 VanDerWaalsContact O-CG 3.27Å; D441-R445 WeakPolarHBondContact O-CG 3.44Å; D441-R445 PolarHBondContact O-N 3.1Å; D441-R445 VanDerWaalsContact O-N 3.1Å; D441-R445 IonicContact OD1-CZ 3.47Å; D441-R445 IonicContact OD1-NE 2.57Å; D441-R445 PolarHBondContact OD1-NE 2.69Å; D441-R445 IonicContact OD1-NH2 3.68Å; D441-R445 PolarHBondContact OD1-NH2 2.74Å; D441-R445 IonicContact OD2-NE 2.73Å; D441-R445 IonicContact OD2-NH2 3.08Å; I442-R445 PolarHBondContact O-N 3.45Å; K443-R445 VanDerWaalsContact C-N 3.29Å; K443-R445 PolarHBondContact O-N 2.83Å; R445-A447 VanDerWaalsContact C-N 3.26Å; R445-A447 PolarHBondContact O-N 2.92Å; R445-K448 CarbonylContact O-C 3.55Å; R445-K448 WeakPolarHBondContact O-CA 3.41Å; R445-K448 WeakPolarHBondContact O-CB 2.8Å; R445-K448 PolarHBondContact O-N 3.36Å; R445-G449 PolarHBondContact O-N 3.47Å; R445-Q450 HydrophobicContact CB-CB 4.14Å; R445-Q450 WeakPolarHBondContact O-CB 3.05Å; R445-Q450 PolarHBondContact O-N 3.42Å; R445-V452 HydrophobicContact CB-CG2 3.95Å; R445-H555 WeakPolarHBondContact CD-CD2 3.4Å; R445-H555 VanDerWaalsContact CD-CG 3.47Å; R445-H555 VanDerWaalsContact CZ-CD2 3.45Å; R445-H555 PolarHBondContact NE-CD2 3.46Å; R445-H555 PolarHBondContact NE-NE2 3.31Å; R445-H555 PolarHBondContact NH1-ND1 3.28Å; R445-H555 PolarHBondContact NH2-CE1 3.28Å; R445-H555 PolarHBondContact NH2-NE2 3.32Å; R445-S583 PolarHBondContact NH1-OG 3.2Å |
| 446 | T | 95.7 | Very high | 96 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 19% | 0.19 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -35 | 177.3 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | I442 K443 K448 G449 V452 V500 | I442-T446 HydrophobicContact CG2-CG2 4.05Å; I442-T446 WeakPolarHBondContact O-CB 3.42Å; I442-T446 VanDerWaalsContact O-CG2 3.23Å; I442-T446 WeakPolarHBondContact O-CG2 3.43Å; I442-T446 PolarHBondContact O-N 2.89Å; I442-T446 PolarHBondContact O-OG1 3.45Å; K443-T446 PolarHBondContact O-OG1 3.15Å; T446-K448 PolarHBondContact O-N 2.91Å; T446-G449 PolarHBondContact O-N 3.16Å; T446-V452 HydrophobicContact CG2-CG2 4.45Å; T446-V500 HydrophobicContact CG2-CG2 3.45Å; T446-V500 VanDerWaalsContact CG2-CG2 3.45Å |
| 447 | A | 94.9 | Very high | 95.6 | Very high | 89 Ų | 89 | 32.9 Ų | 32.9 | 74% | 0.736 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -61.2 | -27.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K443 R445 G449 | K443-A447 VanDerWaalsContact O-CB 3.23Å; K443-A447 WeakPolarHBondContact O-CB 3.42Å; K443-A447 PolarHBondContact O-N 3.44Å; R445-A447 VanDerWaalsContact C-N 3.26Å; R445-A447 PolarHBondContact O-N 2.92Å; A447-G449 VanDerWaalsContact C-N 3.32Å |
| 448 | K | 94.5 | Very high | 95.1 | Very high | 128 Ų | 128 | 33.8 Ų | 33.8 | 56% | 0.557 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 2.4 | 174 | -63.2 | 170.8 | -168.9 | 167.5 | 0 | 113 | E444 R445 T446 Q450 | E444-K448 WeakPolarHBondContact O-CG 3.5Å; E444-K448 IonicContact OE1-NZ 3.99Å; E444-K448 PolarHBondContact OE1-NZ 3.43Å; R445-K448 CarbonylContact O-C 3.55Å; R445-K448 WeakPolarHBondContact O-CA 3.41Å; R445-K448 WeakPolarHBondContact O-CB 2.8Å; R445-K448 PolarHBondContact O-N 3.36Å; T446-K448 PolarHBondContact O-N 2.91Å; K448-Q450 VanDerWaalsContact C-N 3.31Å |
| 449 | G | 94.2 | Very high | 94.5 | Very high | 23 Ų | 23 | 37.7 Ų | 37.7 | 24% | 0.237 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 4.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R445 T446 A447 P497 A498 | R445-G449 PolarHBondContact O-N 3.47Å; T446-G449 PolarHBondContact O-N 3.16Å; A447-G449 VanDerWaalsContact C-N 3.32Å; G449-P497 WeakPolarHBondContact O-CA 3.37Å; G449-A498 PolarHBondContact O-N 3.23Å |
| 450 | Q | 97.4 | Very high | 94.1 | Very high | 9 Ų | 9 | 44.9 Ų | 44.9 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | trans | -77.1 | 126.4 | -177.3 | -167.1 | 179 | 29 | 0 | 0 | 110.9 | R445 K448 A551 G552 G553 H555 | R445-Q450 HydrophobicContact CB-CB 4.14Å; R445-Q450 WeakPolarHBondContact O-CB 3.05Å; R445-Q450 PolarHBondContact O-N 3.42Å; K448-Q450 VanDerWaalsContact C-N 3.31Å; Q450-A551 HydrophobicContact CB-CB 4.04Å; Q450-A551 PolarHBondContact NE2-O 3.38Å; Q450-G552 PolarHBondContact NE2-O 3.15Å; Q450-G553 WeakPolarHBondContact CG-O 3.42Å; Q450-G553 PolarHBondContact NE2-O 3.48Å; Q450-H555 HydrophobicContact CG-CB 4.49Å | ||
| 451 | P | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -70.9 | 148.3 | 172.9 | 24.9 | -28.9 | 0 | 0 | 0 | 112 | A494 Y496 A499 V548 L554 H555 | P451-A494 WeakPolarHBondContact CB-O 3.48Å; P451-Y496 WeakPolarHBondContact CB-O 3.27Å; P451-A499 CarbonylContact C-O 3.55Å; P451-A499 WeakPolarHBondContact CA-O 3.33Å; P451-V548 HydrophobicContact CG-CG1 3.72Å; P451-V548 HydrophobicContact CG-CG2 4.37Å; P451-L554 HydrophobicContact CB-CD1 3.91Å; P451-L554 HydrophobicContact CG-CD1 4.08Å; P451-H555 PolarHBondContact O-N 2.87Å | ||
| 452 | V | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 128.1 | -178 | -172 | 0 | 0 | 0 | 0 | 111.2 | I442 R445 T446 V454 A499 V500 T501 H555 I557 | I442-V452 HydrophobicContact CG1-CG1 4.11Å; R445-V452 HydrophobicContact CB-CG2 3.95Å; T446-V452 HydrophobicContact CG2-CG2 4.45Å; V452-V454 HydrophobicContact CG1-CG2 4.14Å; V452-A499 PolarHBondContact N-O 2.85Å; V452-V500 WeakPolarHBondContact O-CA 3.21Å; V452-T501 PolarHBondContact O-N 2.88Å; V452-H555 WeakPolarHBondContact CA-O 3.3Å; V452-H555 HydrophobicContact CG2-CB 4.36Å; V452-I557 HydrophobicContact CG1-CD1 3.66Å; V452-I557 HydrophobicContact CG1-CG1 3.94Å |
| 453 | L | 96 | Very high | 93 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.1 | 167.8 | -175.7 | 73.6 | 0 | 0 | 0 | 109.5 | T501 A503 I513 L554 H555 I556 I557 L571 R574 | L453-T501 CarbonylContact C-O 3.59Å; L453-T501 WeakPolarHBondContact CA-O 3.44Å; L453-T501 HydrophobicContact CD1-CG2 3.94Å; L453-A503 HydrophobicContact CD1-CB 4.08Å; L453-I513 HydrophobicContact CD2-CD1 3.79Å; L453-L554 HydrophobicContact CB-CD1 4.41Å; L453-H555 PolarHBondContact N-O 3.11Å; L453-I556 HydrophobicContact CB-CD1 3.77Å; L453-I556 HydrophobicContact CD2-CD1 3.89Å; L453-I556 HydrophobicContact CG-CD1 4.41Å; L453-I556 WeakPolarHBondContact O-CA 3.47Å; L453-I557 PolarHBondContact O-N 3.14Å; L453-L571 HydrophobicContact CD2-CD1 4.31Å; L453-R574 HydrophobicContact CD2-CB 3.88Å; L453-R574 HydrophobicContact CD2-CG 3.95Å |
| 454 | V | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 113.2 | 179.2 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | I442 V452 V465 V500 T501 I502 A503 I557 T559 | I442-V454 HydrophobicContact CD1-CG2 3.76Å; V452-V454 HydrophobicContact CG1-CG2 4.14Å; V454-V465 HydrophobicContact CG1-CG1 4.31Å; V454-V500 HydrophobicContact CG2-CG1 4.46Å; V454-T501 PolarHBondContact N-O 3.21Å; V454-I502 HydrophobicContact CB-CG1 4.32Å; V454-I502 HydrophobicContact CB-CG2 4.49Å; V454-I502 CarbonylContact O-C 3.59Å; V454-I502 WeakPolarHBondContact O-CA 3.19Å; V454-A503 PolarHBondContact O-N 3.25Å; V454-I557 CarbonylContact C-O 3.08Å; V454-I557 WeakPolarHBondContact CA-O 3.38Å; V454-I557 HydrophobicContact CG1-CG2 4.38Å; V454-I557 HydrophobicContact CG2-CB 4.4Å; V454-T559 HydrophobicContact CG1-CG2 3.37Å |
| 455 | G | 94.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 40 Ų | 40 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 126.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | A503 I557 T559 | G455-A503 CarbonylContact C-O 3.5Å; G455-A503 VanDerWaalsContact CA-O 3.29Å; G455-A503 WeakPolarHBondContact CA-O 3.21Å; G455-I557 PolarHBondContact N-O 3.02Å; G455-T559 PolarHBondContact O-N 3.28Å; G455-T559 PolarHBondContact O-OG1 3.4Å |
| 456 | T | 91.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 153.1 | 175.7 | 66.9 | 0 | 0 | 0 | 0 | 112 | S458 S462 I502 A503 T504 N505 T559 | T456-S458 PolarHBondContact OG1-O 3.37Å; T456-S462 WeakPolarHBondContact OG1-CB 3.44Å; T456-I502 HydrophobicContact CG2-CG2 3.98Å; T456-A503 PolarHBondContact N-O 2.9Å; T456-T504 WeakPolarHBondContact O-CA 3.49Å; T456-N505 PolarHBondContact O-N 3.32Å; T456-T559 HydrophobicContact CG2-CG2 3.88Å |
| 457 | I | 86.7 | Confident | 92.6 | Very high | 60 Ų | 60 | 41.8 Ų | 41.8 | 31% | 0.308 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -82.8 | -23.4 | -178.5 | 62 | 168.5 | 0 | 0 | 0 | 113.9 | K461 E560 H562 | I457-K461 HydrophobicContact CG1-CG 4.48Å; I457-E560 WeakPolarHBondContact CD1-OE2 3.4Å; I457-H562 HydrophobicContact CG2-CB 4.45Å |
| 458 | S | 85.5 | Confident | 92.7 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 28% | 0.28 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -141.8 | 161.3 | -179.3 | 76.4 | 0 | 0 | 0 | 0 | 111.7 | T456 E460 K461 S462 | T456-S458 PolarHBondContact OG1-O 3.37Å; S458-E460 VanDerWaalsContact C-N 3.34Å; S458-K461 PolarHBondContact O-N 3.35Å; S458-K461 WeakPolarHBondContact OG-CG 3.41Å; S458-K461 PolarHBondContact OG-N 3.47Å; S458-S462 PolarHBondContact O-N 3.16Å; S458-S462 PolarHBondContact O-OG 2.83Å |
| 459 | I | 84.4 | Confident | 92.8 | Very high | 83 Ų | 83 | 34 Ų | 34 | 43% | 0.426 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 176.6 | -62 | 172.9 | 0 | 0 | 0 | 110.4 | K461 S462 E463 T504 | I459-K461 VanDerWaalsContact C-N 3.3Å; I459-K461 PolarHBondContact O-N 2.93Å; I459-S462 VanDerWaalsContact C-OG 3.31Å; I459-S462 VanDerWaalsContact CA-OG 3.27Å; I459-S462 WeakPolarHBondContact CA-OG 3.46Å; I459-S462 PolarHBondContact O-N 3.32Å; I459-S462 VanDerWaalsContact O-N 3.12Å; I459-S462 PolarHBondContact O-OG 2.97Å; I459-E463 HydrophobicContact CG2-CG 4.44Å; I459-E463 WeakPolarHBondContact O-CG 3.46Å; I459-E463 PolarHBondContact O-N 2.72Å; I459-T504 HydrophobicContact CG1-CG2 4.21Å |
| 460 | E | 87.5 | Confident | 92.9 | Very high | 154 Ų | 154 | 37.1 Ų | 37.1 | 72% | 0.72 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -56.8 | -44.1 | 176.3 | -173.2 | -170.8 | 172.8 | 0 | 0 | 111.7 | S458 E463 L464 | S458-E460 VanDerWaalsContact C-N 3.34Å; E460-E463 PolarHBondContact O-N 3.23Å; E460-L464 PolarHBondContact O-N 2.96Å |
| 461 | K | 88.5 | Confident | 92.9 | Very high | 43 Ų | 43 | 44.1 Ų | 44.1 | 19% | 0.187 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.8 | -36.4 | 176.7 | -66.4 | -64.3 | -175 | -177.4 | 0 | 112.3 | E431 I457 S458 I459 E463 L464 V465 E560 | E431-K461 IonicContact OE1-NZ 3.98Å; E431-K461 PolarHBondContact OE1-NZ 2.97Å; E431-K461 IonicContact OE2-NZ 3.51Å; E431-K461 PolarHBondContact OE2-NZ 2.81Å; I457-K461 HydrophobicContact CG1-CG 4.48Å; S458-K461 PolarHBondContact O-N 3.35Å; S458-K461 WeakPolarHBondContact OG-CG 3.41Å; S458-K461 PolarHBondContact OG-N 3.47Å; I459-K461 VanDerWaalsContact C-N 3.3Å; I459-K461 PolarHBondContact O-N 2.93Å; K461-E463 VanDerWaalsContact C-N 3.34Å; K461-L464 HydrophobicContact CD-CD2 4.38Å; K461-L464 PolarHBondContact O-N 3.47Å; K461-V465 WeakPolarHBondContact O-CG2 3.26Å; K461-V465 PolarHBondContact O-N 3.21Å; K461-E560 WeakPolarHBondContact CE-OE1 3.39Å; K461-E560 IonicContact NZ-OE1 3.46Å |
| 462 | S | 89.6 | Confident | 92.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -40.4 | 173 | 47.8 | 0 | 0 | 0 | 0 | 112.3 | T456 S458 I459 V465 S466 | T456-S462 WeakPolarHBondContact OG1-CB 3.44Å; S458-S462 PolarHBondContact O-N 3.16Å; S458-S462 PolarHBondContact O-OG 2.83Å; I459-S462 VanDerWaalsContact C-OG 3.31Å; I459-S462 VanDerWaalsContact CA-OG 3.27Å; I459-S462 WeakPolarHBondContact CA-OG 3.46Å; I459-S462 PolarHBondContact O-N 3.32Å; I459-S462 VanDerWaalsContact O-N 3.12Å; I459-S462 PolarHBondContact O-OG 2.97Å; S462-V465 PolarHBondContact O-N 2.93Å; S462-S466 WeakPolarHBondContact O-CB 3.47Å; S462-S466 PolarHBondContact O-N 3.23Å |
| 463 | E | 91.1 | Very high | 92.6 | Very high | 70 Ų | 70 | 49 Ų | 49 | 33% | 0.327 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.9 | -39.6 | 177.6 | -67.5 | -59 | 150.8 | 0 | 0 | 111.6 | I459 E460 K461 S466 N467 N480 | I459-E463 HydrophobicContact CG2-CG 4.44Å; I459-E463 WeakPolarHBondContact O-CG 3.46Å; I459-E463 PolarHBondContact O-N 2.72Å; E460-E463 PolarHBondContact O-N 3.23Å; K461-E463 VanDerWaalsContact C-N 3.34Å; E463-S466 WeakPolarHBondContact O-CB 3.16Å; E463-S466 PolarHBondContact O-N 3.36Å; E463-N467 WeakPolarHBondContact O-CB 3.24Å; E463-N467 PolarHBondContact O-N 3.49Å; E463-N467 PolarHBondContact O-ND2 3.39Å; E463-N480 PolarHBondContact OE1-ND2 2.86Å |
| 464 | L | 92.1 | Very high | 92.6 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 33% | 0.33 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.6 | -52.3 | 173.4 | -174.9 | 80.6 | 0 | 0 | 0 | 111.4 | E431 I435 E460 K461 N467 E468 | E431-L464 HydrophobicContact CG-CD2 4.49Å; I435-L464 HydrophobicContact CD1-CD2 3.41Å; I435-L464 VanDerWaalsContact CD1-CD2 3.41Å; I435-L464 HydrophobicContact CD1-CG 4.01Å; E460-L464 PolarHBondContact O-N 2.96Å; K461-L464 HydrophobicContact CD-CD2 4.38Å; K461-L464 PolarHBondContact O-N 3.47Å; L464-N467 PolarHBondContact O-N 3.46Å; L464-E468 PolarHBondContact O-N 3.41Å; L464-E468 VanDerWaalsContact O-N 3.15Å |
| 465 | V | 94 | Very high | 92.5 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.03 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.8 | -40.3 | -179.6 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | V454 K461 S462 N467 E468 L469 I502 T559 | V454-V465 HydrophobicContact CG1-CG1 4.31Å; K461-V465 WeakPolarHBondContact O-CG2 3.26Å; K461-V465 PolarHBondContact O-N 3.21Å; S462-V465 PolarHBondContact O-N 2.93Å; V465-N467 PolarHBondContact O-N 3.32Å; V465-E468 PolarHBondContact O-N 3.13Å; V465-L469 HydrophobicContact CG1-CD1 3.96Å; V465-L469 HydrophobicContact CG1-CG 4.32Å; V465-L469 WeakPolarHBondContact O-CB 3.47Å; V465-L469 VanDerWaalsContact O-CG 3.31Å; V465-L469 WeakPolarHBondContact O-CG 3.38Å; V465-L469 PolarHBondContact O-N 3.21Å; V465-I502 HydrophobicContact CG1-CD1 4.2Å; V465-T559 HydrophobicContact CG2-CG2 4.3Å |
| 466 | S | 94.8 | Very high | 92.6 | Very high | 13 Ų | 13 | 60.3 Ų | 60.3 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.3 | -47 | 173.8 | 169.4 | 0 | 0 | 0 | 0 | 112.3 | S462 E463 E468 L469 T470 H476 | S462-S466 WeakPolarHBondContact O-CB 3.47Å; S462-S466 PolarHBondContact O-N 3.23Å; E463-S466 WeakPolarHBondContact O-CB 3.16Å; E463-S466 PolarHBondContact O-N 3.36Å; S466-E468 PolarHBondContact O-N 3.1Å; S466-L469 PolarHBondContact O-N 2.72Å; S466-T470 WeakPolarHBondContact O-CB 3.43Å; S466-T470 PolarHBondContact O-N 3.48Å; S466-T470 PolarHBondContact O-OG1 2.97Å; S466-H476 WeakPolarHBondContact CA-NE2 3.5Å; S466-H476 PolarHBondContact O-CE1 3.41Å; S466-H476 VanDerWaalsContact O-CE1 3.25Å; S466-H476 PolarHBondContact O-NE2 3.05Å; S466-H476 PolarHBondContact OG-NE2 3.38Å |
| 467 | N | 96.1 | Very high | 92.7 | Very high | 85 Ų | 85 | 64.2 Ų | 64.2 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 178.3 | -76.1 | -41.9 | 0 | 0 | 0 | 112 | E463 L464 V465 T470 K471 | E463-N467 WeakPolarHBondContact O-CB 3.24Å; E463-N467 PolarHBondContact O-N 3.49Å; E463-N467 PolarHBondContact O-ND2 3.39Å; L464-N467 PolarHBondContact O-N 3.46Å; V465-N467 PolarHBondContact O-N 3.32Å; N467-T470 WeakPolarHBondContact O-CB 3.2Å; N467-T470 PolarHBondContact O-N 2.85Å; N467-K471 WeakPolarHBondContact O-CG 3.49Å; N467-K471 PolarHBondContact O-N 3.04Å |
| 468 | E | 96.4 | Very high | 92.8 | Very high | 54 Ų | 54 | 63 Ų | 63 | 25% | 0.252 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.5 | -36.2 | 178.1 | -63.5 | -56.3 | 135.1 | 0 | 0 | 112.7 | I435 I439 L464 V465 S466 T470 K471 A472 | I435-E468 HydrophobicContact CG2-CB 3.85Å; I435-E468 HydrophobicContact CG2-CG 3.88Å; I439-E468 HydrophobicContact CD1-CB 3.76Å; L464-E468 PolarHBondContact O-N 3.41Å; L464-E468 VanDerWaalsContact O-N 3.15Å; V465-E468 PolarHBondContact O-N 3.13Å; S466-E468 PolarHBondContact O-N 3.1Å; E468-T470 VanDerWaalsContact C-N 3.33Å; E468-T470 PolarHBondContact O-N 3.17Å; E468-K471 PolarHBondContact O-N 3.2Å; E468-K471 IonicContact OE1-NZ 3.09Å; E468-K471 PolarHBondContact OE1-NZ 3.26Å; E468-K471 IonicContact OE2-NZ 2.68Å; E468-A472 WeakPolarHBondContact O-CB 3.12Å; E468-A472 PolarHBondContact O-N 2.91Å |
| 469 | L | 96.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 171.2 | -73.5 | 172.2 | 0 | 0 | 0 | 112 | I439 I442 V465 S466 A472 G473 I474 H476 V500 I502 | I439-L469 HydrophobicContact CG1-CD2 4.14Å; I442-L469 HydrophobicContact CD1-CD1 4.38Å; I442-L469 HydrophobicContact CD1-CD2 3.76Å; I442-L469 HydrophobicContact CG2-CD2 4.41Å; V465-L469 HydrophobicContact CG1-CD1 3.96Å; V465-L469 HydrophobicContact CG1-CG 4.32Å; V465-L469 WeakPolarHBondContact O-CB 3.47Å; V465-L469 VanDerWaalsContact O-CG 3.31Å; V465-L469 WeakPolarHBondContact O-CG 3.38Å; V465-L469 PolarHBondContact O-N 3.21Å; S466-L469 PolarHBondContact O-N 2.72Å; L469-A472 CarbonylContact O-C 3.53Å; L469-A472 PolarHBondContact O-N 3.44Å; L469-G473 PolarHBondContact O-N 2.86Å; L469-I474 HydrophobicContact CB-CB 4.44Å; L469-I474 HydrophobicContact CD2-CB 4.16Å; L469-I474 HydrophobicContact CD2-CD1 3.64Å; L469-I474 HydrophobicContact CD2-CG2 4.2Å; L469-I474 PolarHBondContact O-N 3.41Å; L469-H476 HydrophobicContact CD1-CB 4.46Å; L469-V500 HydrophobicContact CD1-CG1 4.31Å; L469-I502 HydrophobicContact CD1-CD1 3.67Å; L469-I502 HydrophobicContact CD1-CG1 4.17Å |
| 470 | T | 96.7 | Very high | 92 | Very high | 89 Ų | 89 | 59.5 Ų | 59.5 | 55% | 0.546 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 174.7 | -59.9 | 0 | 0 | 0 | 0 | 111 | S466 N467 E468 A472 G473 H476 | S466-T470 WeakPolarHBondContact O-CB 3.43Å; S466-T470 PolarHBondContact O-N 3.48Å; S466-T470 PolarHBondContact O-OG1 2.97Å; N467-T470 WeakPolarHBondContact O-CB 3.2Å; N467-T470 PolarHBondContact O-N 2.85Å; E468-T470 VanDerWaalsContact C-N 3.33Å; E468-T470 PolarHBondContact O-N 3.17Å; T470-A472 PolarHBondContact O-N 2.98Å; T470-G473 PolarHBondContact O-N 2.96Å; T470-H476 PolarHBondContact OG1-CE1 3.17Å |
| 471 | K | 96.1 | Very high | 90.9 | Very high | 155 Ų | 155 | 53.4 Ų | 53.4 | 67% | 0.674 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.5 | -35 | 175.2 | -71.3 | 171.3 | -173.4 | 172.6 | 0 | 112.3 | N467 E468 G473 | N467-K471 WeakPolarHBondContact O-CG 3.49Å; N467-K471 PolarHBondContact O-N 3.04Å; E468-K471 PolarHBondContact O-N 3.2Å; E468-K471 IonicContact OE1-NZ 3.09Å; E468-K471 PolarHBondContact OE1-NZ 3.26Å; E468-K471 IonicContact OE2-NZ 2.68Å; K471-G473 PolarHBondContact O-N 2.8Å |
| 472 | A | 94.9 | Very high | 89.6 | Confident | 36 Ų | 36 | 58.3 Ų | 58.3 | 30% | 0.298 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -2.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I439 E468 L469 T470 I474 | I439-A472 HydrophobicContact CG2-CB 3.72Å; E468-A472 WeakPolarHBondContact O-CB 3.12Å; E468-A472 PolarHBondContact O-N 2.91Å; L469-A472 CarbonylContact O-C 3.53Å; L469-A472 PolarHBondContact O-N 3.44Å; T470-A472 PolarHBondContact O-N 2.98Å; A472-I474 VanDerWaalsContact C-N 3.35Å; A472-I474 HydrophobicContact CB-CD1 3.98Å; A472-I474 HydrophobicContact CB-CG1 4.24Å |
| 473 | G | 94.8 | Very high | 88.2 | Confident | 66 Ų | 66 | 65.2 Ų | 65.2 | 68% | 0.68 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 18.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L469 T470 K471 | L469-G473 PolarHBondContact O-N 2.86Å; T470-G473 PolarHBondContact O-N 2.96Å; K471-G473 PolarHBondContact O-N 2.8Å |
| 474 | I | 95.4 | Very high | 87 | Confident | 23 Ų | 23 | 65.6 Ų | 65.6 | 12% | 0.118 | 35% | 0.345 | C | S | . | . | trans | -92.4 | 117.4 | -177.4 | -60.7 | 165.8 | 0 | 0 | 0 | 109 | I439 I442 K443 L469 A472 H476 V500 | I439-I474 HydrophobicContact CG2-CD1 3.99Å; I442-I474 HydrophobicContact CG2-CD1 4.2Å; I442-I474 HydrophobicContact CG2-CG2 4.06Å; K443-I474 HydrophobicContact CG-CD1 3.71Å; K443-I474 HydrophobicContact CG-CG1 4.35Å; L469-I474 HydrophobicContact CB-CB 4.44Å; L469-I474 HydrophobicContact CD2-CB 4.16Å; L469-I474 HydrophobicContact CD2-CD1 3.64Å; L469-I474 HydrophobicContact CD2-CG2 4.2Å; L469-I474 PolarHBondContact O-N 3.41Å; A472-I474 VanDerWaalsContact C-N 3.35Å; A472-I474 HydrophobicContact CB-CD1 3.98Å; A472-I474 HydrophobicContact CB-CG1 4.24Å; I474-H476 PolarHBondContact O-N 2.81Å; I474-H476 PolarHBondContact O-ND1 3.09Å; I474-V500 HydrophobicContact CG2-CB 4.48Å; I474-V500 HydrophobicContact CG2-CG2 3.98Å | ||
| 475 | K | 95.4 | Very high | 85.8 | Confident | 193 Ų | 193 | 65.6 Ų | 65.6 | 84% | 0.839 | 35% | 0.354 | S | S | * | . | trans | -69.7 | 130 | 173.5 | -65.2 | -176.5 | -178.7 | 179.6 | 0 | 109.7 | ||||
| 476 | H | 96.2 | Very high | 84.8 | Confident | 34 Ų | 34 | 70.5 Ų | 70.5 | 16% | 0.157 | 38% | 0.38 | C | S | . | . | trans | -151.1 | 162.4 | -178.5 | 60.4 | -81.6 | 0 | 0 | 0 | 110.9 | S466 L469 T470 I474 V500 | S466-H476 WeakPolarHBondContact CA-NE2 3.5Å; S466-H476 PolarHBondContact O-CE1 3.41Å; S466-H476 VanDerWaalsContact O-CE1 3.25Å; S466-H476 PolarHBondContact O-NE2 3.05Å; S466-H476 PolarHBondContact OG-NE2 3.38Å; L469-H476 HydrophobicContact CD1-CB 4.46Å; T470-H476 PolarHBondContact OG1-CE1 3.17Å; I474-H476 PolarHBondContact O-N 2.81Å; I474-H476 PolarHBondContact O-ND1 3.09Å; H476-V500 CarbonylContact C-O 3.56Å; H476-V500 WeakPolarHBondContact CA-O 3.33Å; H476-V500 HydrophobicContact CB-CB 3.84Å; H476-V500 HydrophobicContact CB-CG1 3.8Å; H476-V500 WeakPolarHBondContact CB-O 3.29Å | ||
| 477 | N | 93.6 | Very high | 84 | Confident | 82 Ų | 82 | 70.4 Ų | 70.4 | 44% | 0.439 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 145 | 170.9 | -61.3 | -48.5 | 0 | 0 | 0 | 109.7 | I490 V500 T501 I502 | N477-I490 HydrophobicContact CB-CG2 3.73Å; N477-V500 PolarHBondContact N-O 3.48Å; N477-T501 CarbonylContact O-C 3.34Å; N477-T501 WeakPolarHBondContact O-CA 3.41Å; N477-I502 PolarHBondContact O-N 3.26Å |
| 478 | V | 89.5 | Confident | 83.2 | Confident | 36 Ų | 36 | 66.8 Ų | 66.8 | 22% | 0.218 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.5 | 176.4 | -165 | 0 | 0 | 0 | 0 | 109.2 | N480 I502 | V478-N480 WeakPolarHBondContact CG1-OD1 3.38Å; V478-I502 HydrophobicContact CG1-CB 4.32Å; V478-I502 HydrophobicContact CG2-CD1 4.14Å |
| 479 | L | 84.2 | Confident | 82.5 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 114.5 | 178 | -56.4 | 164.1 | 0 | 0 | 0 | 109.7 | E487 I490 V491 T501 I502 A503 A507 | L479-E487 HydrophobicContact CB-CG 4.49Å; L479-E487 HydrophobicContact CD2-CB 3.94Å; L479-E487 HydrophobicContact CD2-CG 3.8Å; L479-I490 HydrophobicContact CD2-CB 3.7Å; L479-I490 HydrophobicContact CD2-CD1 3.82Å; L479-I490 HydrophobicContact CD2-CG1 4.37Å; L479-I490 HydrophobicContact CD2-CG2 3.62Å; L479-I490 HydrophobicContact CG-CG2 4.28Å; L479-V491 HydrophobicContact CD1-CG2 3.41Å; L479-V491 VanDerWaalsContact CD1-CG2 3.41Å; L479-V491 HydrophobicContact CD2-CG2 4.33Å; L479-T501 HydrophobicContact CD1-CG2 3.71Å; L479-T501 HydrophobicContact CG-CG2 4.19Å; L479-I502 PolarHBondContact N-O 2.68Å; L479-A503 HydrophobicContact CD1-CB 3.92Å; L479-A507 HydrophobicContact CB-CB 3.59Å; L479-A507 HydrophobicContact CD1-CB 4.31Å |
| 480 | N | 69.5 | Low | 82.1 | Confident | 47 Ų | 47 | 69.7 Ų | 69.7 | 25% | 0.251 | 39% | 0.385 | S | S | . | . | trans | -106.2 | 9.5 | -166.7 | -55.3 | 31.9 | 0 | 0 | 0 | 112.9 | E463 V478 K482 | E463-N480 PolarHBondContact OE1-ND2 2.86Å; V478-N480 WeakPolarHBondContact CG1-OD1 3.38Å; N480-K482 VanDerWaalsContact C-N 3.26Å; N480-K482 PolarHBondContact O-N 3.4Å | ||
| 481 | A | 62.6 | Low | 81.6 | Confident | 27 Ų | 27 | 65.7 Ų | 65.7 | 22% | 0.223 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 65 | 10 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | E487 M506 | A481-E487 WeakPolarHBondContact CA-OE1 3.21Å; A481-E487 PolarHBondContact N-OE1 3.34Å; A481-M506 HydrophobicContact CB-CB 4.37Å |
| 482 | K | 61.4 | Low | 81.1 | Confident | 146 Ų | 146 | 59 Ų | 59 | 64% | 0.635 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -89.7 | -27 | -175.9 | -69.4 | -170.6 | 177.4 | -173.2 | 0 | 114.8 | N480 E487 | N480-K482 VanDerWaalsContact C-N 3.26Å; N480-K482 PolarHBondContact O-N 3.4Å; K482-E487 PolarHBondContact N-OE1 2.86Å |
| 483 | F | 61.1 | Low | 80.9 | Confident | 144 Ų | 144 | 59.9 Ų | 59.9 | 63% | 0.632 | 33% | 0.332 | S | S | * | . | trans | -136.2 | 84.5 | -173.5 | -68.9 | -73.8 | 0 | 0 | 0 | 111.5 | A485 N486 E487 | F483-A485 PolarHBondContact O-N 3.4Å; F483-N486 HydrophobicContact CB-CB 4.31Å; F483-N486 PolarHBondContact O-N 3.01Å; F483-E487 PolarHBondContact N-OE1 3.5Å; F483-E487 VanDerWaalsContact O-CG 3.28Å; F483-E487 WeakPolarHBondContact O-CG 3.32Å; F483-E487 PolarHBondContact O-N 2.94Å | ||
| 484 | H | 65.7 | Low | 80.8 | Confident | 79 Ų | 79 | 56.8 Ų | 56.8 | 37% | 0.366 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -55.7 | -39.8 | -170.7 | -60.5 | -44.1 | 0 | 0 | 0 | 115.2 | E487 A488 | H484-E487 IonicContact ND1-OE2 2.85Å; H484-E487 PolarHBondContact O-N 3.01Å; H484-A488 PolarHBondContact O-N 3.21Å |
| 485 | A | 66 | Low | 80.7 | Confident | 63 Ų | 63 | 55.7 Ų | 55.7 | 52% | 0.521 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F483 E487 A488 A489 | F483-A485 PolarHBondContact O-N 3.4Å; A485-E487 VanDerWaalsContact C-N 3.33Å; A485-A488 PolarHBondContact O-N 3.4Å; A485-A489 PolarHBondContact O-N 3.26Å |
| 486 | N | 74 | Confident | 80.7 | Confident | 107 Ų | 107 | 51.8 Ų | 51.8 | 57% | 0.572 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -67.4 | -37.3 | 176 | -70.2 | -21.3 | 0 | 0 | 0 | 111.1 | F483 A489 I490 | F483-N486 HydrophobicContact CB-CB 4.31Å; F483-N486 PolarHBondContact O-N 3.01Å; N486-A489 PolarHBondContact O-N 3.11Å; N486-I490 WeakPolarHBondContact O-CG1 3.38Å; N486-I490 PolarHBondContact O-N 2.72Å; N486-I490 VanDerWaalsContact O-N 3.17Å |
| 487 | E | 77.6 | Confident | 80.6 | Confident | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 176.5 | -70.8 | 172.2 | -169.8 | 0 | 0 | 112.1 | L479 A481 K482 F483 H484 A485 A489 I490 V491 | L479-E487 HydrophobicContact CB-CG 4.49Å; L479-E487 HydrophobicContact CD2-CB 3.94Å; L479-E487 HydrophobicContact CD2-CG 3.8Å; A481-E487 WeakPolarHBondContact CA-OE1 3.21Å; A481-E487 PolarHBondContact N-OE1 3.34Å; K482-E487 PolarHBondContact N-OE1 2.86Å; F483-E487 PolarHBondContact N-OE1 3.5Å; F483-E487 VanDerWaalsContact O-CG 3.28Å; F483-E487 WeakPolarHBondContact O-CG 3.32Å; F483-E487 PolarHBondContact O-N 2.94Å; H484-E487 IonicContact ND1-OE2 2.85Å; H484-E487 PolarHBondContact O-N 3.01Å; A485-E487 VanDerWaalsContact C-N 3.33Å; E487-A489 VanDerWaalsContact C-N 3.31Å; E487-A489 PolarHBondContact O-N 3.06Å; E487-I490 PolarHBondContact O-N 3.4Å; E487-V491 WeakPolarHBondContact O-CB 3.05Å; E487-V491 WeakPolarHBondContact O-CG2 3.38Å; E487-V491 PolarHBondContact O-N 3.15Å |
| 488 | A | 78.9 | Confident | 80.7 | Confident | 8 Ų | 8 | 50 Ų | 50 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y134 H484 A485 V491 A492 T511 | Y134-A488 HydrophobicContact CE1-CB 3.98Å; H484-A488 PolarHBondContact O-N 3.21Å; A485-A488 PolarHBondContact O-N 3.4Å; A488-V491 PolarHBondContact O-N 3.38Å; A488-A492 VanDerWaalsContact O-CB 3.27Å; A488-A492 WeakPolarHBondContact O-CB 3.33Å; A488-A492 PolarHBondContact O-N 2.9Å; A488-T511 HydrophobicContact CB-CG2 4.31Å; A488-T511 WeakPolarHBondContact O-CG2 3.16Å |
| 489 | A | 82.6 | Confident | 81 | Confident | 63 Ų | 63 | 49.2 Ų | 49.2 | 52% | 0.521 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A485 N486 E487 Q493 | A485-A489 PolarHBondContact O-N 3.26Å; N486-A489 PolarHBondContact O-N 3.11Å; E487-A489 VanDerWaalsContact C-N 3.31Å; E487-A489 PolarHBondContact O-N 3.06Å; A489-Q493 WeakPolarHBondContact O-CG 3.4Å; A489-Q493 PolarHBondContact O-N 3.21Å |
| 490 | I | 87.1 | Confident | 81.7 | Confident | 52 Ų | 52 | 49.3 Ų | 49.3 | 27% | 0.267 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66 | -44.6 | 178.3 | -64.4 | 164.8 | 0 | 0 | 0 | 110.8 | N477 L479 N486 E487 Q493 A494 T501 | N477-I490 HydrophobicContact CB-CG2 3.73Å; L479-I490 HydrophobicContact CD2-CB 3.7Å; L479-I490 HydrophobicContact CD2-CD1 3.82Å; L479-I490 HydrophobicContact CD2-CG1 4.37Å; L479-I490 HydrophobicContact CD2-CG2 3.62Å; L479-I490 HydrophobicContact CG-CG2 4.28Å; N486-I490 WeakPolarHBondContact O-CG1 3.38Å; N486-I490 PolarHBondContact O-N 2.72Å; N486-I490 VanDerWaalsContact O-N 3.17Å; E487-I490 PolarHBondContact O-N 3.4Å; I490-Q493 CarbonylContact O-C 3.47Å; I490-Q493 PolarHBondContact O-N 3.06Å; I490-Q493 VanDerWaalsContact O-N 3.13Å; I490-A494 PolarHBondContact O-N 3.5Å; I490-T501 HydrophobicContact CG2-CG2 4.22Å |
| 491 | V | 87.4 | Confident | 82.9 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.2 | -41.6 | -179.5 | 174 | 0 | 0 | 0 | 0 | 111 | L479 E487 A488 Q493 A494 T511 I513 | L479-V491 HydrophobicContact CD1-CG2 3.41Å; L479-V491 VanDerWaalsContact CD1-CG2 3.41Å; L479-V491 HydrophobicContact CD2-CG2 4.33Å; E487-V491 WeakPolarHBondContact O-CB 3.05Å; E487-V491 WeakPolarHBondContact O-CG2 3.38Å; E487-V491 PolarHBondContact O-N 3.15Å; A488-V491 PolarHBondContact O-N 3.38Å; V491-Q493 PolarHBondContact O-N 3.47Å; V491-A494 VanDerWaalsContact O-CB 3.26Å; V491-A494 WeakPolarHBondContact O-CB 3.1Å; V491-A494 PolarHBondContact O-N 3.39Å; V491-T511 HydrophobicContact CB-CG2 4.04Å; V491-T511 HydrophobicContact CG1-CG2 3.89Å; V491-I513 HydrophobicContact CG1-CD1 4.46Å; V491-I513 HydrophobicContact CG1-CG1 3.81Å |
| 492 | A | 85.2 | Confident | 84.4 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 12% | 0.124 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.8 | -27.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A488 T511 S518 | A488-A492 VanDerWaalsContact O-CB 3.27Å; A488-A492 WeakPolarHBondContact O-CB 3.33Å; A488-A492 PolarHBondContact O-N 2.9Å; A492-T511 HydrophobicContact CB-CG2 4.36Å; A492-S518 PolarHBondContact O-N 2.9Å |
| 493 | Q | 90.3 | Very high | 85.9 | Confident | 54 Ų | 54 | 39.2 Ų | 39.2 | 25% | 0.252 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -1.8 | 176.5 | -61.9 | -59.9 | -17.7 | 0 | 0 | 114.1 | A489 I490 V491 G495 Y496 G517 S518 | A489-Q493 WeakPolarHBondContact O-CG 3.4Å; A489-Q493 PolarHBondContact O-N 3.21Å; I490-Q493 CarbonylContact O-C 3.47Å; I490-Q493 PolarHBondContact O-N 3.06Å; I490-Q493 VanDerWaalsContact O-N 3.13Å; V491-Q493 PolarHBondContact O-N 3.47Å; Q493-G495 PolarHBondContact O-N 3.37Å; Q493-Y496 VanDerWaalsContact O-CB 3.29Å; Q493-Y496 WeakPolarHBondContact O-CB 3.39Å; Q493-Y496 PolarHBondContact O-N 3.34Å; Q493-G517 VanDerWaalsContact OE1-CA 3.27Å; Q493-S518 PolarHBondContact NE2-O 3.28Å |
| 494 | A | 93 | Very high | 86.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -14.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P451 I490 V491 T501 I513 | P451-A494 WeakPolarHBondContact CB-O 3.48Å; I490-A494 PolarHBondContact O-N 3.5Å; V491-A494 VanDerWaalsContact O-CB 3.26Å; V491-A494 WeakPolarHBondContact O-CB 3.1Å; V491-A494 PolarHBondContact O-N 3.39Å; A494-T501 HydrophobicContact CB-CG2 4.31Å; A494-I513 HydrophobicContact CB-CD1 4.24Å; A494-I513 HydrophobicContact CB-CG1 4.41Å; A494-I513 HydrophobicContact CB-CG2 4.06Å |
| 495 | G | 93.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 3.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q493 I513 V514 G516 | Q493-G495 PolarHBondContact O-N 3.37Å; G495-I513 VanDerWaalsContact N-CG2 3.32Å; G495-V514 WeakPolarHBondContact CA-O 3.37Å; G495-G516 PolarHBondContact O-N 3.3Å |
| 496 | Y | 94.7 | Very high | 86.8 | Confident | 112 Ų | 112 | 33.5 Ų | 33.5 | 44% | 0.439 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -64.1 | 143 | 176.6 | -163.9 | -84.1 | 0 | 0 | 0 | 111 | P451 Q493 A498 A499 R544 | P451-Y496 WeakPolarHBondContact CB-O 3.27Å; Q493-Y496 VanDerWaalsContact O-CB 3.29Å; Q493-Y496 WeakPolarHBondContact O-CB 3.39Å; Q493-Y496 PolarHBondContact O-N 3.34Å; Y496-A498 PolarHBondContact O-N 3.01Å; Y496-A499 WeakPolarHBondContact O-CB 3.47Å; Y496-A499 PolarHBondContact O-N 3.03Å; Y496-R544 VanDerWaalsContact CE2-NH1 3.34Å |
| 497 | P | 95.3 | Very high | 86.2 | Confident | 38 Ų | 38 | 28.6 Ų | 28.6 | 25% | 0.247 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | 130.8 | 179.5 | -28.8 | 32.3 | 0 | 0 | 0 | 113.7 | G449 A499 R544 V548 | G449-P497 WeakPolarHBondContact O-CA 3.37Å; P497-A499 PolarHBondContact O-N 2.88Å; P497-A499 VanDerWaalsContact O-N 3.09Å; P497-R544 HydrophobicContact CG-CB 4.22Å; P497-R544 HydrophobicContact CG-CG 4.34Å; P497-V548 HydrophobicContact CB-CG2 4.4Å; P497-V548 HydrophobicContact CG-CG2 3.9Å |
| 498 | A | 95.2 | Very high | 85.4 | Confident | 41 Ų | 41 | 28.4 Ų | 28.4 | 34% | 0.339 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 13.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | G449 Y496 | G449-A498 PolarHBondContact O-N 3.23Å; Y496-A498 PolarHBondContact O-N 3.01Å |
| 499 | A | 96.3 | Very high | 85 | Confident | 19 Ų | 19 | 29.1 Ų | 29.1 | 16% | 0.157 | 17% | 0.167 | C | C | . | . | trans | -66.9 | 138.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P451 V452 Y496 P497 | P451-A499 CarbonylContact C-O 3.55Å; P451-A499 WeakPolarHBondContact CA-O 3.33Å; V452-A499 PolarHBondContact N-O 2.85Å; Y496-A499 WeakPolarHBondContact O-CB 3.47Å; Y496-A499 PolarHBondContact O-N 3.03Å; P497-A499 PolarHBondContact O-N 2.88Å; P497-A499 VanDerWaalsContact O-N 3.09Å | ||
| 500 | V | 97.6 | Very high | 84.4 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 122.5 | 171.8 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | I442 T446 V452 V454 L469 I474 H476 N477 | I442-V500 HydrophobicContact CG2-CG1 4.16Å; I442-V500 HydrophobicContact CG2-CG2 3.66Å; T446-V500 HydrophobicContact CG2-CG2 3.45Å; T446-V500 VanDerWaalsContact CG2-CG2 3.45Å; V452-V500 WeakPolarHBondContact O-CA 3.21Å; V454-V500 HydrophobicContact CG2-CG1 4.46Å; L469-V500 HydrophobicContact CD1-CG1 4.31Å; I474-V500 HydrophobicContact CG2-CB 4.48Å; I474-V500 HydrophobicContact CG2-CG2 3.98Å; H476-V500 CarbonylContact C-O 3.56Å; H476-V500 WeakPolarHBondContact CA-O 3.33Å; H476-V500 HydrophobicContact CB-CB 3.84Å; H476-V500 HydrophobicContact CB-CG1 3.8Å; H476-V500 WeakPolarHBondContact CB-O 3.29Å; N477-V500 PolarHBondContact N-O 3.48Å |
| 501 | T | 95.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130.5 | -180 | -59.2 | 0 | 0 | 0 | 0 | 109.3 | V452 L453 V454 N477 L479 I490 A494 | V452-T501 PolarHBondContact O-N 2.88Å; L453-T501 CarbonylContact C-O 3.59Å; L453-T501 WeakPolarHBondContact CA-O 3.44Å; L453-T501 HydrophobicContact CD1-CG2 3.94Å; V454-T501 PolarHBondContact N-O 3.21Å; N477-T501 CarbonylContact O-C 3.34Å; N477-T501 WeakPolarHBondContact O-CA 3.41Å; L479-T501 HydrophobicContact CD1-CG2 3.71Å; L479-T501 HydrophobicContact CG-CG2 4.19Å; I490-T501 HydrophobicContact CG2-CG2 4.22Å; A494-T501 HydrophobicContact CB-CG2 4.31Å |
| 502 | I | 94.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 127.5 | 175.2 | -48.3 | 177.5 | 0 | 0 | 0 | 107.9 | V454 T456 V465 L469 N477 V478 L479 | V454-I502 HydrophobicContact CB-CG1 4.32Å; V454-I502 HydrophobicContact CB-CG2 4.49Å; V454-I502 CarbonylContact O-C 3.59Å; V454-I502 WeakPolarHBondContact O-CA 3.19Å; T456-I502 HydrophobicContact CG2-CG2 3.98Å; V465-I502 HydrophobicContact CG1-CD1 4.2Å; L469-I502 HydrophobicContact CD1-CD1 3.67Å; L469-I502 HydrophobicContact CD1-CG1 4.17Å; N477-I502 PolarHBondContact O-N 3.26Å; V478-I502 HydrophobicContact CG1-CB 4.32Å; V478-I502 HydrophobicContact CG2-CD1 4.14Å; L479-I502 PolarHBondContact N-O 2.68Å |
| 503 | A | 90.9 | Very high | 83.8 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 7% | 0.066 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 135.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L453 V454 G455 T456 L479 A507 | L453-A503 HydrophobicContact CD1-CB 4.08Å; V454-A503 PolarHBondContact O-N 3.25Å; G455-A503 CarbonylContact C-O 3.5Å; G455-A503 VanDerWaalsContact CA-O 3.29Å; G455-A503 WeakPolarHBondContact CA-O 3.21Å; T456-A503 PolarHBondContact N-O 2.9Å; L479-A503 HydrophobicContact CD1-CB 3.92Å; A503-A507 HydrophobicContact CB-CB 4.27Å |
| 504 | T | 84 | Confident | 83.7 | Confident | 14 Ų | 14 | 28.1 Ų | 28.1 | 9% | 0.086 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 165.3 | 163.9 | 60.7 | 0 | 0 | 0 | 0 | 110.5 | T456 I459 M506 A507 | T456-T504 WeakPolarHBondContact O-CA 3.49Å; I459-T504 HydrophobicContact CG1-CG2 4.21Å; T504-M506 PolarHBondContact O-N 3.31Å; T504-A507 PolarHBondContact O-N 3.43Å |
| 505 | N | 69.3 | Low | 83.7 | Confident | 33 Ų | 33 | 28.7 Ų | 28.7 | 18% | 0.176 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -27.3 | -178 | -69.1 | -26.6 | 0 | 0 | 0 | 115.5 | T456 R509 I567 | T456-N505 PolarHBondContact O-N 3.32Å; N505-R509 PolarHBondContact O-NE 3.13Å; N505-I567 HydrophobicContact CB-CG2 3.99Å; N505-I567 VanDerWaalsContact CG-CG2 3.42Å; N505-I567 WeakPolarHBondContact OD1-CG2 3.23Å |
| 506 | M | 59.5 | Low | 83.6 | Confident | 118 Ų | 118 | 28.7 Ų | 28.7 | 58% | 0.581 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -20.5 | -179.7 | -67.9 | -179 | 70.2 | 0 | 0 | 113.5 | A481 T504 | A481-M506 HydrophobicContact CB-CB 4.37Å; T504-M506 PolarHBondContact O-N 3.31Å |
| 507 | A | 61.1 | Low | 83.4 | Confident | 5 Ų | 5 | 23.3 Ų | 23.3 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 137.6 | -174 | 0 | 0 | 0 | 0 | 0 | 112.5 | L479 A503 T504 R509 | L479-A507 HydrophobicContact CB-CB 3.59Å; L479-A507 HydrophobicContact CD1-CB 4.31Å; A503-A507 HydrophobicContact CB-CB 4.27Å; T504-A507 PolarHBondContact O-N 3.43Å; A507-R509 VanDerWaalsContact C-N 3.26Å; A507-R509 PolarHBondContact O-N 2.89Å |
| 508 | G | 61.1 | Low | 83.1 | Confident | 7 Ų | 7 | 22.1 Ų | 22.1 | 7% | 0.072 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 19.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | T511 R574 | G508-T511 PolarHBondContact O-N 2.99Å; G508-R574 VanDerWaalsContact O-CZ 3.31Å; G508-R574 PolarHBondContact O-NH1 3.1Å; G508-R574 PolarHBondContact O-NH2 3.01Å |
| 509 | R | 69.5 | Low | 82.8 | Confident | 23 Ų | 23 | 23.1 Ų | 23.1 | 9% | 0.087 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 140.1 | 171.1 | -75.1 | -176.6 | 174.5 | -153.9 | -1.8 | 110.8 | S213 N505 A507 T511 R574 | S213-R509 PolarHBondContact OG-NH1 3.29Å; N505-R509 PolarHBondContact O-NE 3.13Å; A507-R509 VanDerWaalsContact C-N 3.26Å; A507-R509 PolarHBondContact O-N 2.89Å; R509-T511 PolarHBondContact O-N 2.89Å; R509-R574 VanDerWaalsContact CA-NH2 3.33Å |
| 510 | G | 71.3 | Confident | 82.3 | Confident | 20 Ų | 20 | 26.6 Ų | 26.6 | 21% | 0.206 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | -4.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | R138 | R138-G510 PolarHBondContact NH1-O 3.26Å; R138-G510 PolarHBondContact NH2-O 3.44Å |
| 511 | T | 77.2 | Confident | 81.7 | Confident | 14 Ų | 14 | 28.5 Ų | 28.5 | 9% | 0.086 | 16% | 0.158 | C | C | . | . | trans | -100.7 | 133.3 | 177 | -53 | 0 | 0 | 0 | 0 | 111.7 | A488 V491 A492 G508 R509 R574 | A488-T511 HydrophobicContact CB-CG2 4.31Å; A488-T511 WeakPolarHBondContact O-CG2 3.16Å; V491-T511 HydrophobicContact CB-CG2 4.04Å; V491-T511 HydrophobicContact CG1-CG2 3.89Å; A492-T511 HydrophobicContact CB-CG2 4.36Å; G508-T511 PolarHBondContact O-N 2.99Å; R509-T511 PolarHBondContact O-N 2.89Å; T511-R574 PolarHBondContact O-NH1 2.85Å | ||
| 512 | D | 80 | Confident | 81.2 | Confident | 89 Ų | 89 | 31.2 Ų | 31.2 | 48% | 0.476 | 17% | 0.171 | S | C | . | . | trans | -86.6 | 135.6 | 179.7 | -75.3 | -2.6 | 0 | 0 | 0 | 112 | R577 | D512-R577 IonicContact OD1-CZ 3.77Å; D512-R577 IonicContact OD1-NH1 2.63Å; D512-R577 PolarHBondContact OD1-NH1 3.22Å; D512-R577 IonicContact OD1-NH2 3.67Å; D512-R577 IonicContact OD2-NH1 3.81Å | ||
| 513 | I | 88.8 | Confident | 80.8 | Confident | 13 Ų | 13 | 32.3 Ų | 32.3 | 7% | 0.067 | 18% | 0.177 | C | C | . | . | trans | -88.8 | 110.8 | 172.8 | -57.2 | 178.4 | 0 | 0 | 0 | 107.6 | L453 V491 A494 G495 L554 R574 | L453-I513 HydrophobicContact CD2-CD1 3.79Å; V491-I513 HydrophobicContact CG1-CD1 4.46Å; V491-I513 HydrophobicContact CG1-CG1 3.81Å; A494-I513 HydrophobicContact CB-CD1 4.24Å; A494-I513 HydrophobicContact CB-CG1 4.41Å; A494-I513 HydrophobicContact CB-CG2 4.06Å; G495-I513 VanDerWaalsContact N-CG2 3.32Å; I513-L554 HydrophobicContact CB-CD2 4.34Å; I513-L554 HydrophobicContact CD1-CD2 3.75Å; I513-L554 HydrophobicContact CG2-CD2 4.01Å; I513-R574 HydrophobicContact CD1-CB 4.14Å | ||
| 514 | V | 89 | Confident | 80.5 | Confident | 33 Ų | 33 | 36 Ų | 36 | 20% | 0.2 | 21% | 0.208 | C | C | . | . | trans | -86.9 | 118.2 | 178.9 | -174.2 | 0 | 0 | 0 | 0 | 109 | G495 G516 G517 W541 | G495-V514 WeakPolarHBondContact CA-O 3.37Å; V514-G516 PolarHBondContact O-N 3.44Å; V514-G517 VanDerWaalsContact CG1-O 3.26Å; V514-G517 WeakPolarHBondContact CG1-O 3.08Å; V514-G517 PolarHBondContact O-N 3.35Å; V514-W541 HydrophobicContact CG1-CZ2 3.86Å | ||
| 515 | L | 92.2 | Very high | 80.6 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 125.3 | 175 | -58.3 | -175.7 | 0 | 0 | 0 | 109.5 | W541 H545 V548 L549 L554 D580 | L515-W541 PolarHBondContact O-NE1 3.32Å; L515-H545 PolarHBondContact O-ND1 3.11Å; L515-V548 HydrophobicContact CB-CG1 4.03Å; L515-V548 HydrophobicContact CD1-CG1 4.48Å; L515-V548 HydrophobicContact CD2-CG1 4Å; L515-V548 HydrophobicContact CG-CG1 4.39Å; L515-L549 HydrophobicContact CD1-CD2 3.75Å; L515-L554 HydrophobicContact CD2-CB 3.74Å; L515-D580 HydrophobicContact CD1-CB 3.98Å |
| 516 | G | 92.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.4 | -8.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G495 V514 R544 | G495-G516 PolarHBondContact O-N 3.3Å; V514-G516 PolarHBondContact O-N 3.44Å; G516-R544 PolarHBondContact O-NH1 3.37Å |
| 517 | G | 90.4 | Very high | 82.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | 93.5 | 161.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q493 V514 W519 W541 | Q493-G517 VanDerWaalsContact OE1-CA 3.27Å; V514-G517 VanDerWaalsContact CG1-O 3.26Å; V514-G517 WeakPolarHBondContact CG1-O 3.08Å; V514-G517 PolarHBondContact O-N 3.35Å; G517-W519 PolarHBondContact O-N 2.84Å; G517-W541 PolarHBondContact O-NE1 3.27Å | ||
| 518 | S | 89.2 | Confident | 83.7 | Confident | 13 Ų | 13 | 52 Ų | 52 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | trans | -81.2 | 108.6 | -179.7 | 175 | 0 | 0 | 0 | 0 | 111 | A492 Q493 Q520 A521 E522 | A492-S518 PolarHBondContact O-N 2.9Å; Q493-S518 PolarHBondContact NE2-O 3.28Å; S518-Q520 VanDerWaalsContact C-N 3.3Å; S518-A521 PolarHBondContact O-N 2.89Å; S518-A521 PolarHBondContact OG-N 2.88Å; S518-E522 PolarHBondContact O-N 2.95Å | ||
| 519 | W | 89.1 | Confident | 84.8 | Confident | 61 Ų | 61 | 53.4 Ų | 53.4 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.3 | -30 | 175.1 | 69.2 | -97.7 | 0 | 0 | 0 | 111.9 | G517 A521 E522 V523 I537 K538 W541 | G517-W519 PolarHBondContact O-N 2.84Å; W519-A521 VanDerWaalsContact C-N 3.28Å; W519-A521 PolarHBondContact O-N 3.01Å; W519-E522 WeakPolarHBondContact O-CB 3.46Å; W519-E522 PolarHBondContact O-N 3.4Å; W519-E522 VanDerWaalsContact O-N 3.15Å; W519-V523 HydrophobicContact CE3-CG2 3.9Å; W519-V523 HydrophobicContact CZ3-CG2 4.18Å; W519-V523 WeakPolarHBondContact O-CG2 3.21Å; W519-V523 PolarHBondContact O-N 2.96Å; W519-I537 HydrophobicContact CB-CG2 3.94Å; W519-K538 HydrophobicContact CD2-CG 4.26Å; W519-K538 HydrophobicContact CE3-CG 4.09Å; W519-K538 HydrophobicContact CZ3-CG 4.35Å; W519-W541 HydrophobicContact CB-CB 3.87Å; W519-W541 HydrophobicContact CB-CD2 4.49Å; W519-W541 HydrophobicContact CB-CG 3.81Å; W519-W541 AromaticContact CD1-CD2 3.71Å; W519-W541 AromaticContact CD1-CE2 3.79Å; W519-W541 AromaticContact CD1-CG 3.91Å; W519-W541 AromaticContact CD1-NE1 3.98Å; W519-W541 HydrophobicContact CG-CD2 4.39Å; W519-W541 HydrophobicContact CG-CG 4.2Å |
| 520 | Q | 85.5 | Confident | 85.7 | Confident | 92 Ų | 92 | 55.8 Ų | 55.8 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.9 | -38.1 | 174.9 | -64.3 | 90 | -20.9 | 0 | 0 | 111.1 | S518 E522 V523 A524 | S518-Q520 VanDerWaalsContact C-N 3.3Å; Q520-E522 VanDerWaalsContact C-N 3.32Å; Q520-V523 PolarHBondContact O-N 3.03Å; Q520-A524 VanDerWaalsContact O-CB 3.31Å; Q520-A524 WeakPolarHBondContact O-CB 3.41Å; Q520-A524 PolarHBondContact O-N 3.27Å |
| 521 | A | 84.4 | Confident | 86.6 | Confident | 44 Ų | 44 | 58.5 Ų | 58.5 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.5 | -34.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S518 W519 A525 | S518-A521 PolarHBondContact O-N 2.89Å; S518-A521 PolarHBondContact OG-N 2.88Å; W519-A521 VanDerWaalsContact C-N 3.28Å; W519-A521 PolarHBondContact O-N 3.01Å; A521-A525 PolarHBondContact O-N 3.4Å |
| 522 | E | 86.6 | Confident | 87.2 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 26% | 0.262 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.4 | -40 | 174.4 | -66.9 | 172.5 | -154.6 | 0 | 0 | 111.8 | S518 W519 Q520 A525 I537 R544 | S518-E522 PolarHBondContact O-N 2.95Å; W519-E522 WeakPolarHBondContact O-CB 3.46Å; W519-E522 PolarHBondContact O-N 3.4Å; W519-E522 VanDerWaalsContact O-N 3.15Å; Q520-E522 VanDerWaalsContact C-N 3.32Å; E522-A525 PolarHBondContact O-N 3.25Å; E522-I537 HydrophobicContact CB-CD1 4.48Å; E522-I537 HydrophobicContact CB-CG2 4Å; E522-R544 VanDerWaalsContact CD-NH2 3.29Å; E522-R544 IonicContact OE1-CZ 2.72Å; E522-R544 VanDerWaalsContact OE1-CZ 3.26Å; E522-R544 IonicContact OE1-NH1 3.49Å; E522-R544 PolarHBondContact OE1-NH1 3.45Å; E522-R544 IonicContact OE1-NH2 3.03Å; E522-R544 PolarHBondContact OE1-NH2 2.92Å; E522-R544 IonicContact OE2-CZ 2.94Å; E522-R544 IonicContact OE2-NH2 3.92Å; E522-R544 PolarHBondContact OE2-NH2 3.06Å |
| 523 | V | 86.3 | Confident | 87.7 | Confident | 23 Ų | 23 | 65.5 Ų | 65.5 | 14% | 0.139 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.4 | -43.2 | 175 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | W519 Q520 A525 L526 P529 I534 I537 | W519-V523 HydrophobicContact CE3-CG2 3.9Å; W519-V523 HydrophobicContact CZ3-CG2 4.18Å; W519-V523 WeakPolarHBondContact O-CG2 3.21Å; W519-V523 PolarHBondContact O-N 2.96Å; Q520-V523 PolarHBondContact O-N 3.03Å; V523-A525 PolarHBondContact O-N 3.37Å; V523-L526 WeakPolarHBondContact O-CB 3.39Å; V523-L526 PolarHBondContact O-N 3.4Å; V523-P529 HydrophobicContact CG1-CB 4.42Å; V523-P529 HydrophobicContact CG1-CG 3.79Å; V523-I534 HydrophobicContact CG1-CD1 4.37Å; V523-I534 HydrophobicContact CG1-CG1 4.08Å; V523-I534 HydrophobicContact CG2-CG1 4.35Å; V523-I534 HydrophobicContact CG2-CG2 4.41Å; V523-I537 HydrophobicContact CG2-CB 4.43Å; V523-I537 HydrophobicContact CG2-CD1 3.91Å; V523-I537 HydrophobicContact CG2-CG2 4.07Å |
| 524 | A | 84.2 | Confident | 87.8 | Confident | 86 Ų | 86 | 66.9 Ų | 66.9 | 71% | 0.711 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66 | -21.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q520 L526 | Q520-A524 VanDerWaalsContact O-CB 3.31Å; Q520-A524 WeakPolarHBondContact O-CB 3.41Å; Q520-A524 PolarHBondContact O-N 3.27Å; A524-L526 VanDerWaalsContact C-N 3.28Å |
| 525 | A | 85.2 | Confident | 87.9 | Confident | 84 Ų | 84 | 70.5 Ų | 70.5 | 69% | 0.694 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -10.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A521 E522 V523 | A521-A525 PolarHBondContact O-N 3.4Å; E522-A525 PolarHBondContact O-N 3.25Å; V523-A525 PolarHBondContact O-N 3.37Å |
| 526 | L | 86.4 | Confident | 88 | Confident | 68 Ų | 68 | 76.7 Ų | 76.7 | 36% | 0.356 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -93.4 | 136.1 | 176.2 | -64.1 | 178.5 | 0 | 0 | 0 | 110.8 | V523 A524 N528 P529 Q533 I537 | V523-L526 WeakPolarHBondContact O-CB 3.39Å; V523-L526 PolarHBondContact O-N 3.4Å; A524-L526 VanDerWaalsContact C-N 3.28Å; L526-N528 PolarHBondContact O-N 2.96Å; L526-P529 HydrophobicContact CB-CB 3.99Å; L526-P529 HydrophobicContact CB-CG 4.42Å; L526-P529 HydrophobicContact CD1-CB 4.02Å; L526-Q533 HydrophobicContact CD1-CB 4.43Å; L526-I537 HydrophobicContact CD1-CD1 3.64Å |
| 527 | E | 84.1 | Confident | 88 | Confident | 194 Ų | 194 | 77.7 Ų | 77.7 | 91% | 0.907 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -76.7 | 117.7 | 169.2 | -67.6 | -174.8 | 171.7 | 0 | 0 | 109.8 | ||
| 528 | N | 85 | Confident | 88.1 | Confident | 159 Ų | 159 | 81.1 Ų | 81.1 | 85% | 0.85 | 44% | 0.443 | S | S | * | . | S | Bend | trans | 47.5 | 62.8 | 178.9 | -66.6 | -35.5 | 0 | 0 | 0 | 114.2 | L526 T530 | L526-N528 PolarHBondContact O-N 2.96Å; N528-T530 PolarHBondContact O-N 3.41Å |
| 529 | P | 84.3 | Confident | 88.3 | Confident | 38 Ų | 38 | 83.1 Ų | 83.1 | 25% | 0.247 | 46% | 0.46 | C | S | . | . | trans | -62.4 | 133.4 | -176.3 | 25.7 | -33.4 | 0 | 0 | 0 | 111.8 | V523 L526 I534 | V523-P529 HydrophobicContact CG1-CB 4.42Å; V523-P529 HydrophobicContact CG1-CG 3.79Å; L526-P529 HydrophobicContact CB-CB 3.99Å; L526-P529 HydrophobicContact CB-CG 4.42Å; L526-P529 HydrophobicContact CD1-CB 4.02Å; P529-I534 HydrophobicContact CB-CD1 4.31Å; P529-I534 HydrophobicContact CB-CG1 3.94Å; P529-I534 HydrophobicContact CG-CD1 4.19Å; P529-I534 HydrophobicContact CG-CG1 4.25Å | ||
| 530 | T | 89.5 | Confident | 88.5 | Confident | 72 Ų | 72 | 84.1 Ų | 84.1 | 44% | 0.442 | 47% | 0.47 | S | S | . | . | trans | -71.4 | 155.5 | 173.9 | 69.7 | 0 | 0 | 0 | 0 | 110.6 | N528 E532 Q533 I534 | N528-T530 PolarHBondContact O-N 3.41Å; T530-E532 PolarHBondContact O-N 2.91Å; T530-Q533 WeakPolarHBondContact O-CB 3.37Å; T530-Q533 PolarHBondContact O-N 3.3Å; T530-Q533 WeakPolarHBondContact OG1-CG 3.46Å; T530-Q533 PolarHBondContact OG1-N 3.01Å; T530-I534 WeakPolarHBondContact O-CG1 3.48Å; T530-I534 PolarHBondContact O-N 3.18Å | ||
| 531 | A | 89.4 | Confident | 89 | Confident | 78 Ų | 78 | 81.5 Ų | 81.5 | 65% | 0.645 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -54.3 | -37.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I534 E535 | A531-I534 PolarHBondContact O-N 2.86Å; A531-E535 WeakPolarHBondContact O-CG 3.24Å; A531-E535 PolarHBondContact O-N 3.45Å |
| 532 | E | 90.3 | Very high | 89.5 | Confident | 164 Ų | 164 | 83.2 Ų | 83.2 | 77% | 0.766 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64.9 | -39.3 | 176 | -64.7 | -179.5 | 173.4 | 0 | 0 | 112.9 | T530 K536 | T530-E532 PolarHBondContact O-N 2.91Å; E532-K536 WeakPolarHBondContact O-CB 3.43Å; E532-K536 PolarHBondContact O-N 3.35Å |
| 533 | Q | 90.4 | Very high | 89.9 | Confident | 85 Ų | 85 | 85.4 Ų | 85.4 | 40% | 0.397 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 176 | -73.7 | 171.3 | -32.1 | 0 | 0 | 111.5 | L526 T530 K536 I537 | L526-Q533 HydrophobicContact CD1-CB 4.43Å; T530-Q533 WeakPolarHBondContact O-CB 3.37Å; T530-Q533 PolarHBondContact O-N 3.3Å; T530-Q533 WeakPolarHBondContact OG1-CG 3.46Å; T530-Q533 PolarHBondContact OG1-N 3.01Å; Q533-K536 PolarHBondContact O-N 2.91Å; Q533-I537 WeakPolarHBondContact O-CG1 3.45Å; Q533-I537 PolarHBondContact O-N 3.28Å |
| 534 | I | 90.2 | Very high | 90.3 | Very high | 42 Ų | 42 | 86 Ų | 86 | 22% | 0.215 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 177.7 | -63.6 | 173.1 | 0 | 0 | 0 | 110.4 | V523 P529 T530 A531 K536 I537 K538 | V523-I534 HydrophobicContact CG1-CD1 4.37Å; V523-I534 HydrophobicContact CG1-CG1 4.08Å; V523-I534 HydrophobicContact CG2-CG1 4.35Å; V523-I534 HydrophobicContact CG2-CG2 4.41Å; P529-I534 HydrophobicContact CB-CD1 4.31Å; P529-I534 HydrophobicContact CB-CG1 3.94Å; P529-I534 HydrophobicContact CG-CD1 4.19Å; P529-I534 HydrophobicContact CG-CG1 4.25Å; T530-I534 WeakPolarHBondContact O-CG1 3.48Å; T530-I534 PolarHBondContact O-N 3.18Å; A531-I534 PolarHBondContact O-N 2.86Å; I534-K536 VanDerWaalsContact C-N 3.34Å; I534-K536 PolarHBondContact O-N 3.38Å; I534-I537 PolarHBondContact O-N 3.39Å; I534-K538 HydrophobicContact CG2-CD 4.43Å; I534-K538 WeakPolarHBondContact O-CG 3.3Å; I534-K538 PolarHBondContact O-N 3.35Å |
| 535 | E | 91.8 | Very high | 90.8 | Very high | 110 Ų | 110 | 83 Ų | 83 | 51% | 0.514 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.7 | -37 | 179.1 | -71.5 | -56.5 | 119.4 | 0 | 0 | 112.3 | A531 K538 A539 | A531-E535 WeakPolarHBondContact O-CG 3.24Å; A531-E535 PolarHBondContact O-N 3.45Å; E535-K538 PolarHBondContact O-N 3.29Å; E535-K538 IonicContact OE1-NZ 3.26Å; E535-K538 PolarHBondContact OE1-NZ 2.9Å; E535-A539 WeakPolarHBondContact O-CB 3.01Å; E535-A539 PolarHBondContact O-N 3.46Å |
| 536 | K | 93.2 | Very high | 91.2 | Very high | 141 Ų | 141 | 82.8 Ų | 82.8 | 61% | 0.613 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.2 | -46.1 | 172.7 | -174.7 | -179.7 | 177 | -175.7 | 0 | 112.1 | E532 Q533 I534 K538 A539 D540 | E532-K536 WeakPolarHBondContact O-CB 3.43Å; E532-K536 PolarHBondContact O-N 3.35Å; Q533-K536 PolarHBondContact O-N 2.91Å; I534-K536 VanDerWaalsContact C-N 3.34Å; I534-K536 PolarHBondContact O-N 3.38Å; K536-K538 VanDerWaalsContact C-N 3.32Å; K536-K538 PolarHBondContact O-N 2.71Å; K536-A539 PolarHBondContact O-N 2.87Å; K536-D540 PolarHBondContact O-N 3.35Å |
| 537 | I | 93.2 | Very high | 91.6 | Very high | 21 Ų | 21 | 82.2 Ų | 82.2 | 11% | 0.108 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 177.5 | -73.6 | 167.3 | 0 | 0 | 0 | 110.8 | W519 E522 V523 L526 Q533 I534 A539 D540 W541 | W519-I537 HydrophobicContact CB-CG2 3.94Å; E522-I537 HydrophobicContact CB-CD1 4.48Å; E522-I537 HydrophobicContact CB-CG2 4Å; V523-I537 HydrophobicContact CG2-CB 4.43Å; V523-I537 HydrophobicContact CG2-CD1 3.91Å; V523-I537 HydrophobicContact CG2-CG2 4.07Å; L526-I537 HydrophobicContact CD1-CD1 3.64Å; Q533-I537 WeakPolarHBondContact O-CG1 3.45Å; Q533-I537 PolarHBondContact O-N 3.28Å; I534-I537 PolarHBondContact O-N 3.39Å; I537-A539 VanDerWaalsContact C-N 3.35Å; I537-A539 PolarHBondContact O-N 3.07Å; I537-D540 PolarHBondContact O-N 3.37Å; I537-W541 VanDerWaalsContact O-CB 3.25Å; I537-W541 WeakPolarHBondContact O-CB 3.22Å; I537-W541 PolarHBondContact O-N 3.04Å |
| 538 | K | 92.7 | Very high | 92.2 | Very high | 72 Ų | 72 | 73 Ų | 73 | 31% | 0.313 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 175.7 | -71.9 | 177.5 | -171.6 | 164.7 | 0 | 112.2 | W519 I534 E535 K536 W541 Q542 | W519-K538 HydrophobicContact CD2-CG 4.26Å; W519-K538 HydrophobicContact CE3-CG 4.09Å; W519-K538 HydrophobicContact CZ3-CG 4.35Å; I534-K538 HydrophobicContact CG2-CD 4.43Å; I534-K538 WeakPolarHBondContact O-CG 3.3Å; I534-K538 PolarHBondContact O-N 3.35Å; E535-K538 PolarHBondContact O-N 3.29Å; E535-K538 IonicContact OE1-NZ 3.26Å; E535-K538 PolarHBondContact OE1-NZ 2.9Å; K536-K538 VanDerWaalsContact C-N 3.32Å; K536-K538 PolarHBondContact O-N 2.71Å; K538-W541 PolarHBondContact O-N 2.87Å; K538-Q542 WeakPolarHBondContact O-CB 3.45Å; K538-Q542 PolarHBondContact O-N 3.38Å |
| 539 | A | 93.4 | Very high | 92.6 | Very high | 55 Ų | 55 | 67.9 Ų | 67.9 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E535 K536 I537 W541 Q542 V543 | E535-A539 WeakPolarHBondContact O-CB 3.01Å; E535-A539 PolarHBondContact O-N 3.46Å; K536-A539 PolarHBondContact O-N 2.87Å; I537-A539 VanDerWaalsContact C-N 3.35Å; I537-A539 PolarHBondContact O-N 3.07Å; A539-W541 VanDerWaalsContact C-N 3.3Å; A539-W541 PolarHBondContact O-N 3.05Å; A539-Q542 PolarHBondContact O-N 2.98Å; A539-V543 PolarHBondContact O-N 3.12Å |
| 540 | D | 93.6 | Very high | 93.1 | Very high | 83 Ų | 83 | 70.3 Ų | 70.3 | 44% | 0.444 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65 | -35.4 | 176.7 | -70.7 | -19.9 | 0 | 0 | 0 | 111.7 | K536 I537 R544 | K536-D540 PolarHBondContact O-N 3.35Å; I537-D540 PolarHBondContact O-N 3.37Å; D540-R544 WeakPolarHBondContact O-CG 3.35Å; D540-R544 PolarHBondContact O-N 3.12Å; D540-R544 PolarHBondContact O-NE 3.46Å |
| 541 | W | 94.6 | Very high | 93.3 | Very high | 37 Ų | 37 | 68.1 Ų | 68.1 | 14% | 0.14 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 171.6 | 172.8 | 81.5 | 0 | 0 | 0 | 112.1 | V514 L515 G517 W519 I537 K538 A539 V543 R544 H545 | V514-W541 HydrophobicContact CG1-CZ2 3.86Å; L515-W541 PolarHBondContact O-NE1 3.32Å; G517-W541 PolarHBondContact O-NE1 3.27Å; W519-W541 HydrophobicContact CB-CB 3.87Å; W519-W541 HydrophobicContact CB-CD2 4.49Å; W519-W541 HydrophobicContact CB-CG 3.81Å; W519-W541 AromaticContact CD1-CD2 3.71Å; W519-W541 AromaticContact CD1-CE2 3.79Å; W519-W541 AromaticContact CD1-CG 3.91Å; W519-W541 AromaticContact CD1-NE1 3.98Å; W519-W541 HydrophobicContact CG-CD2 4.39Å; W519-W541 HydrophobicContact CG-CG 4.2Å; I537-W541 VanDerWaalsContact O-CB 3.25Å; I537-W541 WeakPolarHBondContact O-CB 3.22Å; I537-W541 PolarHBondContact O-N 3.04Å; K538-W541 PolarHBondContact O-N 2.87Å; A539-W541 VanDerWaalsContact C-N 3.3Å; A539-W541 PolarHBondContact O-N 3.05Å; W541-V543 VanDerWaalsContact C-N 3.3Å; W541-V543 PolarHBondContact O-N 3.32Å; W541-R544 CarbonylContact O-C 3.56Å; W541-R544 WeakPolarHBondContact O-CB 3.49Å; W541-R544 PolarHBondContact O-N 2.89Å; W541-R544 VanDerWaalsContact O-N 3.09Å; W541-H545 HydrophobicContact CD2-CB 4.43Å; W541-H545 HydrophobicContact CH2-CB 4.37Å; W541-H545 AromaticContact CH2-ND1 3.95Å; W541-H545 HydrophobicContact CZ2-CB 4.16Å; W541-H545 AromaticContact CZ2-CG 3.97Å; W541-H545 AromaticContact CZ2-ND1 3.61Å; W541-H545 WeakPolarHBondContact O-CB 3.29Å; W541-H545 PolarHBondContact O-N 3.27Å |
| 542 | Q | 94.6 | Very high | 93.6 | Very high | 79 Ų | 79 | 65.8 Ų | 65.8 | 37% | 0.369 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59 | -42.1 | 179.9 | -171.6 | 65.3 | 52.8 | 0 | 0 | 111.5 | K538 A539 R544 H545 D546 | K538-Q542 WeakPolarHBondContact O-CB 3.45Å; K538-Q542 PolarHBondContact O-N 3.38Å; A539-Q542 PolarHBondContact O-N 2.98Å; Q542-R544 VanDerWaalsContact C-N 3.35Å; Q542-R544 PolarHBondContact O-N 3.16Å; Q542-H545 WeakPolarHBondContact O-CB 3.36Å; Q542-H545 PolarHBondContact O-N 3.27Å; Q542-D546 PolarHBondContact NE2-OD1 3.27Å; Q542-D546 WeakPolarHBondContact O-CB 3.18Å; Q542-D546 VanDerWaalsContact O-CG 3.23Å; Q542-D546 PolarHBondContact O-N 3.05Å |
| 543 | V | 95.6 | Very high | 93.8 | Very high | 103 Ų | 103 | 58 Ų | 58 | 62% | 0.624 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59.8 | -44.5 | 175.4 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | A539 W541 A547 | A539-V543 PolarHBondContact O-N 3.12Å; W541-V543 VanDerWaalsContact C-N 3.3Å; W541-V543 PolarHBondContact O-N 3.32Å; V543-A547 WeakPolarHBondContact O-CB 3.46Å; V543-A547 PolarHBondContact O-N 3.44Å; V543-A547 VanDerWaalsContact O-N 3.14Å |
| 544 | R | 95.7 | Very high | 94.1 | Very high | 34 Ų | 34 | 54 Ų | 54 | 13% | 0.128 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66 | -43.1 | 176.6 | -70.6 | 177.7 | -76.5 | 165.1 | -15 | 111.8 | Y496 P497 G516 E522 D540 W541 Q542 A547 V548 | Y496-R544 VanDerWaalsContact CE2-NH1 3.34Å; P497-R544 HydrophobicContact CG-CB 4.22Å; P497-R544 HydrophobicContact CG-CG 4.34Å; G516-R544 PolarHBondContact O-NH1 3.37Å; E522-R544 VanDerWaalsContact CD-NH2 3.29Å; E522-R544 IonicContact OE1-CZ 2.72Å; E522-R544 VanDerWaalsContact OE1-CZ 3.26Å; E522-R544 IonicContact OE1-NH1 3.49Å; E522-R544 PolarHBondContact OE1-NH1 3.45Å; E522-R544 IonicContact OE1-NH2 3.03Å; E522-R544 PolarHBondContact OE1-NH2 2.92Å; E522-R544 IonicContact OE2-CZ 2.94Å; E522-R544 IonicContact OE2-NH2 3.92Å; E522-R544 PolarHBondContact OE2-NH2 3.06Å; D540-R544 WeakPolarHBondContact O-CG 3.35Å; D540-R544 PolarHBondContact O-N 3.12Å; D540-R544 PolarHBondContact O-NE 3.46Å; W541-R544 CarbonylContact O-C 3.56Å; W541-R544 WeakPolarHBondContact O-CB 3.49Å; W541-R544 PolarHBondContact O-N 2.89Å; W541-R544 VanDerWaalsContact O-N 3.09Å; Q542-R544 VanDerWaalsContact C-N 3.35Å; Q542-R544 PolarHBondContact O-N 3.16Å; R544-A547 PolarHBondContact O-N 2.92Å; R544-V548 WeakPolarHBondContact O-CG2 3.06Å; R544-V548 PolarHBondContact O-N 3.01Å |
| 545 | H | 94.1 | Very high | 94.5 | Very high | 24 Ų | 24 | 52 Ų | 52 | 11% | 0.111 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.7 | -49.9 | 178.9 | -179.3 | 81.5 | 0 | 0 | 0 | 111.2 | L515 W541 Q542 A547 V548 L549 | L515-H545 PolarHBondContact O-ND1 3.11Å; W541-H545 HydrophobicContact CD2-CB 4.43Å; W541-H545 HydrophobicContact CH2-CB 4.37Å; W541-H545 AromaticContact CH2-ND1 3.95Å; W541-H545 HydrophobicContact CZ2-CB 4.16Å; W541-H545 AromaticContact CZ2-CG 3.97Å; W541-H545 AromaticContact CZ2-ND1 3.61Å; W541-H545 WeakPolarHBondContact O-CB 3.29Å; W541-H545 PolarHBondContact O-N 3.27Å; Q542-H545 WeakPolarHBondContact O-CB 3.36Å; Q542-H545 PolarHBondContact O-N 3.27Å; H545-A547 VanDerWaalsContact C-N 3.34Å; H545-A547 PolarHBondContact O-N 3.42Å; H545-V548 PolarHBondContact O-N 2.9Å; H545-L549 WeakPolarHBondContact NE2-CD1 3.34Å; H545-L549 PolarHBondContact O-N 2.82Å |
| 546 | D | 94.4 | Very high | 94.7 | Very high | 80 Ų | 80 | 46.7 Ų | 46.7 | 43% | 0.428 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 179.4 | -67 | -16.6 | 0 | 0 | 0 | 111.7 | Q542 L549 A550 | Q542-D546 PolarHBondContact NE2-OD1 3.27Å; Q542-D546 WeakPolarHBondContact O-CB 3.18Å; Q542-D546 VanDerWaalsContact O-CG 3.23Å; Q542-D546 PolarHBondContact O-N 3.05Å; D546-L549 PolarHBondContact O-N 2.97Å; D546-A550 WeakPolarHBondContact O-CB 3.45Å; D546-A550 PolarHBondContact O-N 3.46Å |
| 547 | A | 94.8 | Very high | 94.9 | Very high | 55 Ų | 55 | 40 Ų | 40 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.6 | -41.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V543 R544 H545 A550 A551 | V543-A547 WeakPolarHBondContact O-CB 3.46Å; V543-A547 PolarHBondContact O-N 3.44Å; V543-A547 VanDerWaalsContact O-N 3.14Å; R544-A547 PolarHBondContact O-N 2.92Å; H545-A547 VanDerWaalsContact C-N 3.34Å; H545-A547 PolarHBondContact O-N 3.42Å; A547-A550 PolarHBondContact O-N 2.83Å; A547-A551 WeakPolarHBondContact O-CB 3.37Å; A547-A551 PolarHBondContact O-N 3.4Å |
| 548 | V | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 176.2 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | P451 P497 L515 R544 H545 A551 G552 G553 | P451-V548 HydrophobicContact CG-CG1 3.72Å; P451-V548 HydrophobicContact CG-CG2 4.37Å; P497-V548 HydrophobicContact CB-CG2 4.4Å; P497-V548 HydrophobicContact CG-CG2 3.9Å; L515-V548 HydrophobicContact CB-CG1 4.03Å; L515-V548 HydrophobicContact CD1-CG1 4.48Å; L515-V548 HydrophobicContact CD2-CG1 4Å; L515-V548 HydrophobicContact CG-CG1 4.39Å; R544-V548 WeakPolarHBondContact O-CG2 3.06Å; R544-V548 PolarHBondContact O-N 3.01Å; H545-V548 PolarHBondContact O-N 2.9Å; V548-A551 PolarHBondContact O-N 3.32Å; V548-G552 PolarHBondContact O-N 3.32Å; V548-G553 WeakPolarHBondContact O-CA 3.02Å; V548-G553 PolarHBondContact O-N 3.21Å |
| 549 | L | 93.9 | Very high | 95.1 | Very high | 52 Ų | 52 | 35.8 Ų | 35.8 | 27% | 0.272 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 175.1 | -73.7 | 179.1 | 0 | 0 | 0 | 111.7 | L515 H545 D546 A551 G552 D580 A581 | L515-L549 HydrophobicContact CD1-CD2 3.75Å; H545-L549 WeakPolarHBondContact NE2-CD1 3.34Å; H545-L549 PolarHBondContact O-N 2.82Å; D546-L549 PolarHBondContact O-N 2.97Å; L549-A551 VanDerWaalsContact C-N 3.28Å; L549-A551 PolarHBondContact O-N 2.86Å; L549-G552 WeakPolarHBondContact O-CA 3.49Å; L549-G552 PolarHBondContact O-N 3.23Å; L549-D580 HydrophobicContact CD2-CB 4.27Å; L549-A581 HydrophobicContact CD2-CB 4.25Å |
| 550 | A | 93.7 | Very high | 95.1 | Very high | 90 Ų | 90 | 33.6 Ų | 33.6 | 74% | 0.744 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -62.7 | -34 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | D546 A547 G552 | D546-A550 WeakPolarHBondContact O-CB 3.45Å; D546-A550 PolarHBondContact O-N 3.46Å; A547-A550 PolarHBondContact O-N 2.83Å; A550-G552 PolarHBondContact O-N 3.24Å |
| 551 | A | 95 | Very high | 95 | Very high | 25 Ų | 25 | 30.2 Ų | 30.2 | 21% | 0.207 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -1.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q450 A547 V548 L549 | Q450-A551 HydrophobicContact CB-CB 4.04Å; Q450-A551 PolarHBondContact NE2-O 3.38Å; A547-A551 WeakPolarHBondContact O-CB 3.37Å; A547-A551 PolarHBondContact O-N 3.4Å; V548-A551 PolarHBondContact O-N 3.32Å; L549-A551 VanDerWaalsContact C-N 3.28Å; L549-A551 PolarHBondContact O-N 2.86Å |
| 552 | G | 94.1 | Very high | 94.8 | Very high | 29 Ų | 29 | 30.5 Ų | 30.5 | 30% | 0.299 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 101.8 | 13.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | Q450 V548 L549 A550 G582 | Q450-G552 PolarHBondContact NE2-O 3.15Å; V548-G552 PolarHBondContact O-N 3.32Å; L549-G552 WeakPolarHBondContact O-CA 3.49Å; L549-G552 PolarHBondContact O-N 3.23Å; A550-G552 PolarHBondContact O-N 3.24Å; G552-G582 VanDerWaalsContact O-CA 3.25Å; G552-G582 WeakPolarHBondContact O-CA 3.44Å; G552-G582 PolarHBondContact O-N 3.38Å |
| 553 | G | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 69.9 | -166.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q450 V548 H555 A581 | Q450-G553 WeakPolarHBondContact CG-O 3.42Å; Q450-G553 PolarHBondContact NE2-O 3.48Å; V548-G553 WeakPolarHBondContact O-CA 3.02Å; V548-G553 PolarHBondContact O-N 3.21Å; G553-H555 PolarHBondContact O-N 3.22Å; G553-A581 WeakPolarHBondContact CA-O 3.37Å |
| 554 | L | 96.5 | Very high | 94 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 130.8 | 179.6 | -177.8 | 67.7 | 0 | 0 | 0 | 111.6 | P451 L453 I513 L515 I556 R574 S575 G582 S583 | P451-L554 HydrophobicContact CB-CD1 3.91Å; P451-L554 HydrophobicContact CG-CD1 4.08Å; L453-L554 HydrophobicContact CB-CD1 4.41Å; I513-L554 HydrophobicContact CB-CD2 4.34Å; I513-L554 HydrophobicContact CD1-CD2 3.75Å; I513-L554 HydrophobicContact CG2-CD2 4.01Å; L515-L554 HydrophobicContact CD2-CB 3.74Å; L554-I556 HydrophobicContact CD2-CD1 3.64Å; L554-I556 HydrophobicContact CG-CD1 3.86Å; L554-R574 WeakPolarHBondContact CD2-O 3.34Å; L554-S575 WeakPolarHBondContact O-CB 3.5Å; L554-G582 WeakPolarHBondContact O-CA 3.39Å; L554-S583 PolarHBondContact O-N 3.24Å; L554-S583 VanDerWaalsContact O-N 3.1Å |
| 555 | H | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 131 | 170.6 | -172.6 | 58.9 | 0 | 0 | 0 | 111.6 | D441 R445 Q450 P451 V452 L453 G553 I557 S583 | D441-H555 IonicContact OD2-NE2 3.87Å; D441-H555 PolarHBondContact OD2-NE2 3.08Å; R445-H555 WeakPolarHBondContact CD-CD2 3.4Å; R445-H555 VanDerWaalsContact CD-CG 3.47Å; R445-H555 VanDerWaalsContact CZ-CD2 3.45Å; R445-H555 PolarHBondContact NE-CD2 3.46Å; R445-H555 PolarHBondContact NE-NE2 3.31Å; R445-H555 PolarHBondContact NH1-ND1 3.28Å; R445-H555 PolarHBondContact NH2-CE1 3.28Å; R445-H555 PolarHBondContact NH2-NE2 3.32Å; Q450-H555 HydrophobicContact CG-CB 4.49Å; P451-H555 PolarHBondContact O-N 2.87Å; V452-H555 WeakPolarHBondContact CA-O 3.3Å; V452-H555 HydrophobicContact CG2-CB 4.36Å; L453-H555 PolarHBondContact N-O 3.11Å; G553-H555 PolarHBondContact O-N 3.22Å; H555-I557 VanDerWaalsContact CD2-CG1 3.48Å; H555-I557 WeakPolarHBondContact CD2-CG1 3.42Å; H555-I557 WeakPolarHBondContact NE2-CG1 3.35Å; H555-S583 CarbonylContact C-O 3.57Å; H555-S583 WeakPolarHBondContact CA-O 3.48Å; H555-S583 PolarHBondContact ND1-O 3.31Å; H555-S583 PolarHBondContact ND1-OG 3.48Å |
| 556 | I | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124.1 | 178.4 | -54.2 | -58.8 | 0 | 0 | 0 | 109.7 | L453 L554 L571 R574 S575 S583 S584 R585 | L453-I556 HydrophobicContact CB-CD1 3.77Å; L453-I556 HydrophobicContact CD2-CD1 3.89Å; L453-I556 HydrophobicContact CG-CD1 4.41Å; L453-I556 WeakPolarHBondContact O-CA 3.47Å; L554-I556 HydrophobicContact CD2-CD1 3.64Å; L554-I556 HydrophobicContact CG-CD1 3.86Å; I556-L571 HydrophobicContact CG2-CD1 3.93Å; I556-L571 HydrophobicContact CG2-CD2 4.29Å; I556-L571 HydrophobicContact CG2-CG 3.63Å; I556-R574 HydrophobicContact CD1-CB 3.87Å; I556-S575 VanDerWaalsContact CG1-OG 3.22Å; I556-S575 WeakPolarHBondContact CG1-OG 3.38Å; I556-S583 PolarHBondContact N-O 2.95Å; I556-S584 CarbonylContact O-C 3.51Å; I556-S584 VanDerWaalsContact O-CA 3.26Å; I556-S584 WeakPolarHBondContact O-CA 3.29Å; I556-R585 PolarHBondContact O-N 3.04Å |
| 557 | I | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120.3 | 173.3 | -64.2 | -178.8 | 0 | 0 | 0 | 108.3 | I438 I442 V452 L453 V454 G455 H555 R585 Y587 | I438-I557 HydrophobicContact CG1-CG2 4.19Å; I438-I557 HydrophobicContact CG2-CD1 4.36Å; I438-I557 HydrophobicContact CG2-CG2 4.12Å; I442-I557 HydrophobicContact CD1-CD1 4.15Å; I442-I557 HydrophobicContact CG1-CD1 3.61Å; V452-I557 HydrophobicContact CG1-CD1 3.66Å; V452-I557 HydrophobicContact CG1-CG1 3.94Å; L453-I557 PolarHBondContact O-N 3.14Å; V454-I557 CarbonylContact C-O 3.08Å; V454-I557 WeakPolarHBondContact CA-O 3.38Å; V454-I557 HydrophobicContact CG1-CG2 4.38Å; V454-I557 HydrophobicContact CG2-CB 4.4Å; G455-I557 PolarHBondContact N-O 3.02Å; H555-I557 VanDerWaalsContact CD2-CG1 3.48Å; H555-I557 WeakPolarHBondContact CD2-CG1 3.42Å; H555-I557 WeakPolarHBondContact NE2-CG1 3.35Å; I557-R585 WeakPolarHBondContact CA-O 3.44Å; I557-Y587 HydrophobicContact CG1-CE2 4.5Å; I557-Y587 HydrophobicContact CG2-CD2 3.85Å; I557-Y587 HydrophobicContact CG2-CE2 4.14Å |
| 558 | G | 96.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 120.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | E560 R585 F586 Y587 | G558-E560 VanDerWaalsContact C-N 3.26Å; G558-E560 PolarHBondContact O-N 2.95Å; G558-R585 PolarHBondContact N-O 3.2Å; G558-F586 WeakPolarHBondContact O-CA 3.4Å; G558-Y587 PolarHBondContact O-N 3.08Å |
| 559 | T | 95.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -77.4 | -15.2 | -177.3 | 65.2 | 0 | 0 | 0 | 0 | 113.5 | K434 I438 V454 G455 T456 V465 Y587 | K434-T559 WeakPolarHBondContact CD-O 3.5Å; I438-T559 HydrophobicContact CD1-CG2 4.01Å; V454-T559 HydrophobicContact CG1-CG2 3.37Å; G455-T559 PolarHBondContact O-N 3.28Å; G455-T559 PolarHBondContact O-OG1 3.4Å; T456-T559 HydrophobicContact CG2-CG2 3.88Å; V465-T559 HydrophobicContact CG2-CG2 4.3Å; T559-Y587 CarbonylContact C-O 3.53Å |
| 560 | E | 92.2 | Very high | 92.2 | Very high | 9 Ų | 9 | 21.5 Ų | 21.5 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -157 | 168.9 | 174 | -58.8 | -171.3 | -163 | 0 | 0 | 108.5 | K434 I457 K461 G558 F586 Y587 D592 | K434-E560 IonicContact NZ-OE1 3.13Å; K434-E560 PolarHBondContact NZ-OE1 3.27Å; I457-E560 WeakPolarHBondContact CD1-OE2 3.4Å; K461-E560 WeakPolarHBondContact CE-OE1 3.39Å; K461-E560 IonicContact NZ-OE1 3.46Å; G558-E560 VanDerWaalsContact C-N 3.26Å; G558-E560 PolarHBondContact O-N 2.95Å; E560-F586 VanDerWaalsContact O-CD1 3.28Å; E560-F586 WeakPolarHBondContact O-CD1 3.31Å; E560-Y587 PolarHBondContact N-O 2.98Å; E560-D592 HydrophobicContact CG-CB 4.49Å |
| 561 | R | 91.3 | Very high | 92 | Very high | 12 Ų | 12 | 18.3 Ų | 18.3 | 5% | 0.045 | 10% | 0.098 | C | C | . | . | trans | -87.9 | 129.9 | 167.8 | -77.5 | -75.7 | -170.8 | -147.2 | -5 | 110.6 | D425 D568 R572 F586 L588 L594 I627 | D425-R561 IonicContact OD1-CZ 3.87Å; D425-R561 IonicContact OD1-NE 3.33Å; D425-R561 IonicContact OD1-NH2 3.7Å; D425-R561 PolarHBondContact OD1-NH2 3.5Å; D425-R561 IonicContact OD2-CZ 2.99Å; D425-R561 IonicContact OD2-NE 2.81Å; D425-R561 PolarHBondContact OD2-NE 2.54Å; D425-R561 VanDerWaalsContact OD2-NE 3.08Å; D425-R561 IonicContact OD2-NH2 3.82Å; D425-R561 PolarHBondContact OD2-NH2 3.47Å; R561-D568 WeakPolarHBondContact CD-OD2 3.09Å; R561-D568 IonicContact CZ-OD2 2.65Å; R561-D568 IonicContact NE-OD2 3.84Å; R561-D568 IonicContact NH1-OD2 3.06Å; R561-D568 PolarHBondContact NH1-OD2 3.49Å; R561-R572 VanDerWaalsContact CZ-NH2 3.34Å; R561-F586 HydrophobicContact CG-CD1 4.33Å; R561-F586 VanDerWaalsContact CZ-CG 3.46Å; R561-F586 VanDerWaalsContact NH1-CD1 3.34Å; R561-F586 VanDerWaalsContact NH1-CZ 3.27Å; R561-L588 HydrophobicContact CB-CD2 3.96Å; R561-L588 HydrophobicContact CG-CD1 4.21Å; R561-L588 HydrophobicContact CG-CD2 3.48Å; R561-L588 VanDerWaalsContact CG-CD2 3.48Å; R561-L588 HydrophobicContact CG-CG 4.05Å; R561-L594 HydrophobicContact CB-CD2 3.55Å; R561-I627 HydrophobicContact CB-CG2 4.26Å; R561-I627 HydrophobicContact CG-CG2 3.76Å | ||
| 562 | H | 90.4 | Very high | 91.9 | Very high | 43 Ų | 43 | 18.2 Ų | 18.2 | 20% | 0.199 | 9% | 0.092 | C | C | . | . | trans | -71.7 | 155.6 | 170.8 | -169.4 | -94.7 | 0 | 0 | 0 | 111 | I457 S564 I567 D568 Q631 | I457-H562 HydrophobicContact CG2-CB 4.45Å; H562-S564 VanDerWaalsContact C-N 3.28Å; H562-S564 PolarHBondContact ND1-N 3.02Å; H562-S564 PolarHBondContact ND1-O 3.49Å; H562-S564 PolarHBondContact O-N 3.27Å; H562-I567 HydrophobicContact CB-CB 4.21Å; H562-I567 HydrophobicContact CB-CG2 4.38Å; H562-I567 WeakPolarHBondContact CE1-CD1 3.3Å; H562-D568 WeakPolarHBondContact CB-OD1 3.3Å; H562-D568 PolarHBondContact N-OD1 3.3Å; H562-Q631 PolarHBondContact O-NE2 3.4Å | ||
| 563 | E | 86.7 | Confident | 91.6 | Very high | 66 Ų | 66 | 17.1 Ų | 17.1 | 31% | 0.308 | 8% | 0.081 | S | C | . | . | S | Bend | trans | -62.3 | -39.2 | 177.1 | -66.5 | -170.6 | 162.8 | 0 | 0 | 112.3 | Q631 V634 | E563-Q631 WeakPolarHBondContact O-CB 3.39Å; E563-V634 HydrophobicContact CB-CG1 4.03Å; E563-V634 HydrophobicContact CG-CG1 4.34Å |
| 564 | S | 86.2 | Confident | 91.4 | Very high | 16 Ų | 16 | 18.2 Ų | 18.2 | 11% | 0.112 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -89.8 | 124.4 | 170 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | H562 R566 I567 E635 | H562-S564 VanDerWaalsContact C-N 3.28Å; H562-S564 PolarHBondContact ND1-N 3.02Å; H562-S564 PolarHBondContact ND1-O 3.49Å; H562-S564 PolarHBondContact O-N 3.27Å; S564-R566 PolarHBondContact O-N 2.99Å; S564-R566 WeakPolarHBondContact OG-CB 3.25Å; S564-R566 PolarHBondContact OG-N 2.99Å; S564-I567 PolarHBondContact O-N 3.47Å; S564-E635 VanDerWaalsContact CA-OE1 3.31Å; S564-E635 WeakPolarHBondContact CA-OE1 3.3Å; S564-E635 PolarHBondContact OG-OE1 2.79Å |
| 565 | R | 88.9 | Confident | 91.1 | Very high | 85 Ų | 85 | 18.3 Ų | 18.3 | 32% | 0.321 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -64.8 | -25.5 | 176.5 | -172.8 | 177.6 | -178.5 | -154.4 | -2.9 | 112.6 | I567 D568 N569 Q631 E635 | R565-I567 VanDerWaalsContact C-N 3.35Å; R565-D568 WeakPolarHBondContact O-CB 3.33Å; R565-D568 PolarHBondContact O-N 3.27Å; R565-N569 PolarHBondContact O-N 3.41Å; R565-N569 PolarHBondContact O-ND2 3.1Å; R565-Q631 HydrophobicContact CB-CB 4.29Å; R565-E635 WeakPolarHBondContact CB-OE1 3.48Å; R565-E635 PolarHBondContact N-OE1 2.88Å |
| 566 | R | 86.6 | Confident | 90.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 178 | -169.5 | 177.8 | 63.3 | 73.7 | 1.7 | 111.6 | D212 D217 T393 S564 D568 N569 Q570 | D212-R566 IonicContact OD1-NH1 2.66Å; D212-R566 PolarHBondContact OD1-NH1 2.88Å; D212-R566 VanDerWaalsContact OD2-CD 3.23Å; D212-R566 WeakPolarHBondContact OD2-CD 3.38Å; D212-R566 IonicContact OD2-CZ 2.97Å; D212-R566 IonicContact OD2-NE 3.74Å; D212-R566 IonicContact OD2-NH1 2.94Å; D212-R566 PolarHBondContact OD2-NH1 3.23Å; D217-R566 IonicContact OD1-CZ 2.7Å; D217-R566 IonicContact OD1-NH2 2.75Å; D217-R566 PolarHBondContact OD1-NH2 2.91Å; D217-R566 IonicContact OD2-CZ 2.81Å; D217-R566 IonicContact OD2-NH2 2.77Å; D217-R566 PolarHBondContact OD2-NH2 2.86Å; T393-R566 WeakPolarHBondContact O-CD 3.45Å; T393-R566 VanDerWaalsContact O-CG 3.23Å; T393-R566 WeakPolarHBondContact O-CG 3.46Å; T393-R566 WeakPolarHBondContact OG1-CG 3.31Å; S564-R566 PolarHBondContact O-N 2.99Å; S564-R566 WeakPolarHBondContact OG-CB 3.25Å; S564-R566 PolarHBondContact OG-N 2.99Å; R566-D568 VanDerWaalsContact C-N 3.35Å; R566-D568 PolarHBondContact O-N 3.44Å; R566-N569 WeakPolarHBondContact O-CB 3.41Å; R566-N569 PolarHBondContact O-N 3.33Å; R566-N569 VanDerWaalsContact O-N 3.09Å; R566-Q570 PolarHBondContact O-N 3.42Å |
| 567 | I | 86.8 | Confident | 90.3 | Very high | 13 Ų | 13 | 20 Ų | 20 | 7% | 0.067 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.1 | -42.2 | -179.9 | -56.7 | -160.8 | 0 | 0 | 0 | 110.9 | N505 H562 S564 R565 N569 Q570 L571 | N505-I567 HydrophobicContact CB-CG2 3.99Å; N505-I567 VanDerWaalsContact CG-CG2 3.42Å; N505-I567 WeakPolarHBondContact OD1-CG2 3.23Å; H562-I567 HydrophobicContact CB-CB 4.21Å; H562-I567 HydrophobicContact CB-CG2 4.38Å; H562-I567 WeakPolarHBondContact CE1-CD1 3.3Å; S564-I567 PolarHBondContact O-N 3.47Å; R565-I567 VanDerWaalsContact C-N 3.35Å; I567-N569 VanDerWaalsContact C-N 3.31Å; I567-N569 PolarHBondContact O-N 3.2Å; I567-Q570 WeakPolarHBondContact O-CB 3.5Å; I567-Q570 PolarHBondContact O-N 2.82Å; I567-L571 PolarHBondContact O-N 3.04Å |
| 568 | D | 91 | Very high | 89.7 | Confident | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.1 | -42.7 | 173.7 | -71.2 | -6.6 | 0 | 0 | 0 | 112 | R561 H562 R565 R566 L571 R572 F586 Q631 | R561-D568 WeakPolarHBondContact CD-OD2 3.09Å; R561-D568 IonicContact CZ-OD2 2.65Å; R561-D568 IonicContact NE-OD2 3.84Å; R561-D568 IonicContact NH1-OD2 3.06Å; R561-D568 PolarHBondContact NH1-OD2 3.49Å; H562-D568 WeakPolarHBondContact CB-OD1 3.3Å; H562-D568 PolarHBondContact N-OD1 3.3Å; R565-D568 WeakPolarHBondContact O-CB 3.33Å; R565-D568 PolarHBondContact O-N 3.27Å; R566-D568 VanDerWaalsContact C-N 3.35Å; R566-D568 PolarHBondContact O-N 3.44Å; D568-L571 PolarHBondContact O-N 3.1Å; D568-R572 WeakPolarHBondContact O-CG 3.33Å; D568-R572 PolarHBondContact O-N 3.03Å; D568-F586 HydrophobicContact CB-CE1 3.96Å; D568-F586 HydrophobicContact CB-CZ 3.62Å; D568-F586 WeakPolarHBondContact OD1-CE1 3.49Å; D568-Q631 PolarHBondContact OD2-NE2 2.89Å |
| 569 | N | 89.6 | Confident | 89.2 | Confident | 45 Ų | 45 | 22.9 Ų | 22.9 | 24% | 0.241 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.2 | -36.5 | 179 | -71.1 | -23.6 | 0 | 0 | 0 | 112 | T393 R565 R566 I567 R572 G573 | T393-N569 HydrophobicContact CG2-CB 3.61Å; R565-N569 PolarHBondContact O-N 3.41Å; R565-N569 PolarHBondContact O-ND2 3.1Å; R566-N569 WeakPolarHBondContact O-CB 3.41Å; R566-N569 PolarHBondContact O-N 3.33Å; R566-N569 VanDerWaalsContact O-N 3.09Å; I567-N569 VanDerWaalsContact C-N 3.31Å; I567-N569 PolarHBondContact O-N 3.2Å; N569-R572 PolarHBondContact O-N 2.82Å; N569-R572 PolarHBondContact OD1-NH1 2.96Å; N569-G573 PolarHBondContact O-N 3.29Å |
| 570 | Q | 87.6 | Confident | 89 | Confident | 9 Ų | 9 | 24.8 Ų | 24.8 | 4% | 0.042 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 174 | -169.7 | -178.5 | 14.6 | 0 | 0 | 111 | R566 I567 G573 R574 | R566-Q570 PolarHBondContact O-N 3.42Å; I567-Q570 WeakPolarHBondContact O-CB 3.5Å; I567-Q570 PolarHBondContact O-N 2.82Å; Q570-G573 PolarHBondContact O-N 3.19Å; Q570-R574 PolarHBondContact O-N 3.38Å |
| 571 | L | 90.9 | Very high | 89 | Confident | 22 Ų | 22 | 25.7 Ų | 25.7 | 12% | 0.115 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.3 | -48.8 | 174.1 | 177.3 | 61.1 | 0 | 0 | 0 | 111.1 | L453 I556 I567 D568 G573 R574 F586 | L453-L571 HydrophobicContact CD2-CD1 4.31Å; I556-L571 HydrophobicContact CG2-CD1 3.93Å; I556-L571 HydrophobicContact CG2-CD2 4.29Å; I556-L571 HydrophobicContact CG2-CG 3.63Å; I567-L571 PolarHBondContact O-N 3.04Å; D568-L571 PolarHBondContact O-N 3.1Å; L571-G573 VanDerWaalsContact C-N 3.27Å; L571-G573 PolarHBondContact O-N 3.42Å; L571-R574 VanDerWaalsContact O-CB 3.3Å; L571-R574 WeakPolarHBondContact O-CB 3.13Å; L571-R574 WeakPolarHBondContact O-CG 3.46Å; L571-R574 PolarHBondContact O-N 3.43Å; L571-R574 VanDerWaalsContact O-N 3.16Å; L571-F586 HydrophobicContact CD2-CE1 4.42Å; L571-F586 HydrophobicContact CD2-CZ 4.21Å |
| 572 | R | 91.5 | Very high | 89.2 | Confident | 23 Ų | 23 | 25.4 Ų | 25.4 | 9% | 0.087 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.4 | -40.8 | 174.6 | -69.8 | -179.8 | 171 | 123.2 | -0.8 | 112.6 | R420 R561 D568 N569 R574 S575 S584 F586 | R420-R572 PolarHBondContact NH1-O 3.26Å; R420-R572 VanDerWaalsContact NH1-O 3.15Å; R561-R572 VanDerWaalsContact CZ-NH2 3.34Å; D568-R572 WeakPolarHBondContact O-CG 3.33Å; D568-R572 PolarHBondContact O-N 3.03Å; N569-R572 PolarHBondContact O-N 2.82Å; N569-R572 PolarHBondContact OD1-NH1 2.96Å; R572-R574 PolarHBondContact O-N 2.94Å; R572-R574 VanDerWaalsContact O-N 3.08Å; R572-S575 PolarHBondContact O-N 3.49Å; R572-S575 PolarHBondContact O-OG 3.36Å; R572-S584 WeakPolarHBondContact CG-OG 3.32Å; R572-S584 PolarHBondContact NE-OG 3.02Å; R572-F586 HydrophobicContact CG-CE2 3.92Å; R572-F586 HydrophobicContact CG-CZ 4.49Å |
| 573 | G | 89.6 | Confident | 89.5 | Confident | 6 Ų | 6 | 23.9 Ų | 23.9 | 6% | 0.062 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -13 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T104 N569 Q570 L571 S575 R577 | T104-G573 WeakPolarHBondContact OG1-CA 3.42Å; T104-G573 PolarHBondContact OG1-O 3.12Å; N569-G573 PolarHBondContact O-N 3.29Å; Q570-G573 PolarHBondContact O-N 3.19Å; L571-G573 VanDerWaalsContact C-N 3.27Å; L571-G573 PolarHBondContact O-N 3.42Å; G573-S575 PolarHBondContact O-N 3.04Å; G573-R577 PolarHBondContact O-NE 3.02Å |
| 574 | R | 89.9 | Confident | 90 | Very high | 23 Ų | 23 | 20.7 Ų | 20.7 | 9% | 0.087 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.7 | 169.8 | -60.3 | -59.2 | -176.5 | 157.4 | 8.6 | 113.2 | L453 G508 R509 T511 I513 L554 I556 Q570 L571 R572 | L453-R574 HydrophobicContact CD2-CB 3.88Å; L453-R574 HydrophobicContact CD2-CG 3.95Å; G508-R574 VanDerWaalsContact O-CZ 3.31Å; G508-R574 PolarHBondContact O-NH1 3.1Å; G508-R574 PolarHBondContact O-NH2 3.01Å; R509-R574 VanDerWaalsContact CA-NH2 3.33Å; T511-R574 PolarHBondContact O-NH1 2.85Å; I513-R574 HydrophobicContact CD1-CB 4.14Å; L554-R574 WeakPolarHBondContact CD2-O 3.34Å; I556-R574 HydrophobicContact CD1-CB 3.87Å; Q570-R574 PolarHBondContact O-N 3.38Å; L571-R574 VanDerWaalsContact O-CB 3.3Å; L571-R574 WeakPolarHBondContact O-CB 3.13Å; L571-R574 WeakPolarHBondContact O-CG 3.46Å; L571-R574 PolarHBondContact O-N 3.43Å; L571-R574 VanDerWaalsContact O-N 3.16Å; R572-R574 PolarHBondContact O-N 2.94Å; R572-R574 VanDerWaalsContact O-N 3.08Å |
| 575 | S | 91.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -119.1 | 157.1 | 175.2 | 64.5 | 0 | 0 | 0 | 0 | 112.9 | R420 L554 I556 R572 G573 | R420-S575 WeakPolarHBondContact CD-OG 3.49Å; R420-S575 PolarHBondContact NH1-O 2.66Å; L554-S575 WeakPolarHBondContact O-CB 3.5Å; I556-S575 VanDerWaalsContact CG1-OG 3.22Å; I556-S575 WeakPolarHBondContact CG1-OG 3.38Å; R572-S575 PolarHBondContact O-N 3.49Å; R572-S575 PolarHBondContact O-OG 3.36Å; G573-S575 PolarHBondContact O-N 3.04Å |
| 576 | G | 89.8 | Confident | 90.8 | Very high | 11 Ų | 11 | 17.9 Ų | 17.9 | 11% | 0.113 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 74.2 | 37.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D580 | G576-D580 WeakPolarHBondContact CA-O 3.48Š|
| 577 | R | 85.8 | Confident | 91.2 | Very high | 25 Ų | 25 | 18.1 Ų | 18.1 | 9% | 0.094 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -81.2 | 144.4 | -178.3 | -63.7 | 179.4 | 168.6 | -162.3 | -5.8 | 110.6 | D512 G573 G579 D580 | D512-R577 IonicContact OD1-CZ 3.77Å; D512-R577 IonicContact OD1-NH1 2.63Å; D512-R577 PolarHBondContact OD1-NH1 3.22Å; D512-R577 IonicContact OD1-NH2 3.67Å; D512-R577 IonicContact OD2-NH1 3.81Å; G573-R577 PolarHBondContact O-NE 3.02Å; R577-G579 PolarHBondContact O-N 3.05Å; R577-D580 VanDerWaalsContact O-CB 3.25Å; R577-D580 WeakPolarHBondContact O-CB 3.41Å; R577-D580 PolarHBondContact O-N 3.12Å |
| 578 | Q | 85.5 | Confident | 91.6 | Very high | 42 Ų | 42 | 17.6 Ų | 17.6 | 20% | 0.196 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | 48.1 | 29.6 | -177.3 | -68.1 | -60.8 | -42.8 | 0 | 0 | 114.9 | G105 E106 N415 R416 | G105-Q578 PolarHBondContact O-NE2 3.36Å; E106-Q578 PolarHBondContact OE2-NE2 3.06Å; N415-Q578 PolarHBondContact ND2-OE1 2.77Å; R416-Q578 WeakPolarHBondContact CD-O 3.41Å |
| 579 | G | 86.6 | Confident | 91.6 | Very high | 19 Ų | 19 | 17.4 Ų | 17.4 | 20% | 0.196 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | 82.2 | 12.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | P417 I419 R577 | P417-G579 WeakPolarHBondContact O-CA 3.05Å; I419-G579 WeakPolarHBondContact CD1-O 3.31Å; I419-G579 VanDerWaalsContact CG1-O 3.31Å; I419-G579 WeakPolarHBondContact CG1-O 3.38Å; R577-G579 PolarHBondContact O-N 3.05Å |
| 580 | D | 90.5 | Very high | 91.5 | Very high | 44 Ų | 44 | 15.9 Ų | 15.9 | 24% | 0.235 | 9% | 0.089 | C | C | . | . | trans | -61 | 154.3 | 172.9 | -70.7 | -13.9 | 0 | 0 | 0 | 111.9 | L515 L549 G576 R577 | L515-D580 HydrophobicContact CD1-CB 3.98Å; L549-D580 HydrophobicContact CD2-CB 4.27Å; G576-D580 WeakPolarHBondContact CA-O 3.48Å; R577-D580 VanDerWaalsContact O-CB 3.25Å; R577-D580 WeakPolarHBondContact O-CB 3.41Å; R577-D580 PolarHBondContact O-N 3.12Å | ||
| 581 | A | 92.9 | Very high | 91.5 | Very high | 29 Ų | 29 | 20 Ų | 20 | 24% | 0.24 | 11% | 0.108 | C | C | . | . | trans | -64 | 152.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L549 G553 | L549-A581 HydrophobicContact CD2-CB 4.25Å; G553-A581 WeakPolarHBondContact CA-O 3.37Å | ||
| 582 | G | 95 | Very high | 91.3 | Very high | 6 Ų | 6 | 19.3 Ų | 19.3 | 6% | 0.062 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.5 | 170.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | R420 K421 G552 L554 | R420-G582 WeakPolarHBondContact CA-O 3.18Å; R420-G582 WeakPolarHBondContact CG-O 3.42Å; K421-G582 PolarHBondContact N-O 3.45Å; G552-G582 VanDerWaalsContact O-CA 3.25Å; G552-G582 WeakPolarHBondContact O-CA 3.44Å; G552-G582 PolarHBondContact O-N 3.38Å; L554-G582 WeakPolarHBondContact O-CA 3.39Å |
| 583 | S | 96.8 | Very high | 91 | Very high | 10 Ų | 10 | 19.9 Ų | 19.9 | 7% | 0.07 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 154 | 173.1 | 48.8 | 0 | 0 | 0 | 0 | 111.8 | K421 R445 L554 H555 I556 | K421-S583 CarbonylContact O-C 3.55Å; K421-S583 WeakPolarHBondContact O-CA 3.35Å; K421-S583 WeakPolarHBondContact O-CB 3.39Å; R445-S583 PolarHBondContact NH1-OG 3.2Å; L554-S583 PolarHBondContact O-N 3.24Å; L554-S583 VanDerWaalsContact O-N 3.1Å; H555-S583 CarbonylContact C-O 3.57Å; H555-S583 WeakPolarHBondContact CA-O 3.48Å; H555-S583 PolarHBondContact ND1-O 3.31Å; H555-S583 PolarHBondContact ND1-OG 3.48Å; I556-S583 PolarHBondContact N-O 2.95Å |
| 584 | S | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 147.3 | 172.4 | 78 | 0 | 0 | 0 | 0 | 111.2 | K421 D422 L423 I556 R572 | K421-S584 PolarHBondContact O-N 3.44Å; D422-S584 PolarHBondContact OD1-OG 3.43Å; L423-S584 WeakPolarHBondContact CB-O 3.2Å; L423-S584 PolarHBondContact N-O 2.95Å; I556-S584 CarbonylContact O-C 3.51Å; I556-S584 VanDerWaalsContact O-CA 3.26Å; I556-S584 WeakPolarHBondContact O-CA 3.29Å; R572-S584 WeakPolarHBondContact CG-OG 3.32Å; R572-S584 PolarHBondContact NE-OG 3.02Å |
| 585 | R | 96.3 | Very high | 90.5 | Very high | 41 Ų | 41 | 19.9 Ų | 19.9 | 16% | 0.155 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 144.4 | 173.2 | -177.5 | 171 | -91.9 | 171.7 | -9.7 | 110.2 | L423 I556 I557 G558 Y587 E619 | L423-R585 HydrophobicContact CB-CB 4.17Å; L423-R585 HydrophobicContact CB-CG 4.38Å; L423-R585 HydrophobicContact CD1-CB 4.35Å; I556-R585 PolarHBondContact O-N 3.04Å; I557-R585 WeakPolarHBondContact CA-O 3.44Å; G558-R585 PolarHBondContact N-O 3.2Å; R585-Y587 HydrophobicContact CB-CE2 4.13Å; R585-Y587 WeakPolarHBondContact CD-OH 3.45Å; R585-Y587 HydrophobicContact CG-CD2 4.24Å; R585-Y587 HydrophobicContact CG-CE2 3.72Å; R585-E619 IonicContact CZ-OE1 3.86Å; R585-E619 IonicContact NH2-OE1 2.81Å; R585-E619 PolarHBondContact NH2-OE1 2.85Å |
| 586 | F | 96 | Very high | 90 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 137.2 | 172.9 | -73.9 | -110.6 | 0 | 0 | 0 | 110 | D425 L426 G558 E560 R561 D568 L571 R572 L588 | D425-F586 WeakPolarHBondContact CA-O 3.37Å; D425-F586 WeakPolarHBondContact OD1-CB 3.33Å; L426-F586 PolarHBondContact N-O 2.98Å; G558-F586 WeakPolarHBondContact O-CA 3.4Å; E560-F586 VanDerWaalsContact O-CD1 3.28Å; E560-F586 WeakPolarHBondContact O-CD1 3.31Å; R561-F586 HydrophobicContact CG-CD1 4.33Å; R561-F586 VanDerWaalsContact CZ-CG 3.46Å; R561-F586 VanDerWaalsContact NH1-CD1 3.34Å; R561-F586 VanDerWaalsContact NH1-CZ 3.27Å; D568-F586 HydrophobicContact CB-CE1 3.96Å; D568-F586 HydrophobicContact CB-CZ 3.62Å; D568-F586 WeakPolarHBondContact OD1-CE1 3.49Å; L571-F586 HydrophobicContact CD2-CE1 4.42Å; L571-F586 HydrophobicContact CD2-CZ 4.21Å; R572-F586 HydrophobicContact CG-CE2 3.92Å; R572-F586 HydrophobicContact CG-CZ 4.49Å; F586-L588 HydrophobicContact CB-CD1 4.17Å |
| 587 | Y | 96.2 | Very high | 89.2 | Confident | 5 Ų | 5 | 31 Ų | 31 | 2% | 0.02 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 130.7 | 175.2 | -68 | -105.5 | 0 | 0 | 0 | 106.8 | L426 Y428 A437 I438 D441 I557 G558 T559 E560 R585 | L426-Y587 HydrophobicContact CB-CD1 4.29Å; L426-Y587 HydrophobicContact CD1-CD1 4.2Å; L426-Y587 HydrophobicContact CD1-CE1 3.59Å; L426-Y587 CarbonylContact O-C 3.58Å; L426-Y587 WeakPolarHBondContact O-CA 3.34Å; Y428-Y587 AromaticContact CE2-CD1 3.77Å; Y428-Y587 HydrophobicContact CE2-CD1 3.77Å; Y428-Y587 HydrophobicContact CE2-CE1 4.46Å; A437-Y587 HydrophobicContact CB-CD1 4.07Å; A437-Y587 HydrophobicContact CB-CE1 4Å; I438-Y587 HydrophobicContact CD1-CG 4.24Å; I438-Y587 HydrophobicContact CG1-CD1 3.81Å; I438-Y587 HydrophobicContact CG1-CD2 3.88Å; I438-Y587 HydrophobicContact CG1-CE1 4.45Å; I438-Y587 HydrophobicContact CG1-CE2 4.49Å; I438-Y587 HydrophobicContact CG1-CG 3.53Å; D441-Y587 WeakPolarHBondContact CB-OH 3.32Å; D441-Y587 PolarHBondContact OD2-OH 3.2Å; I557-Y587 HydrophobicContact CG1-CE2 4.5Å; I557-Y587 HydrophobicContact CG2-CD2 3.85Å; I557-Y587 HydrophobicContact CG2-CE2 4.14Å; G558-Y587 PolarHBondContact O-N 3.08Å; T559-Y587 CarbonylContact C-O 3.53Å; E560-Y587 PolarHBondContact N-O 2.98Å; R585-Y587 HydrophobicContact CB-CE2 4.13Å; R585-Y587 WeakPolarHBondContact CD-OH 3.45Å; R585-Y587 HydrophobicContact CG-CD2 4.24Å; R585-Y587 HydrophobicContact CG-CE2 3.72Å |
| 588 | L | 93.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 156.4 | -177.9 | -61.1 | 91.3 | 0 | 0 | 0 | 110.7 | D425 L426 V427 Y428 R561 F586 D592 M595 I627 | D425-L588 HydrophobicContact CB-CD1 3.65Å; L426-L588 PolarHBondContact O-N 3.15Å; V427-L588 HydrophobicContact CG2-CB 4.35Å; V427-L588 HydrophobicContact CG2-CD1 4.4Å; Y428-L588 WeakPolarHBondContact CD2-O 3.27Å; Y428-L588 PolarHBondContact N-O 3.43Å; R561-L588 HydrophobicContact CB-CD2 3.96Å; R561-L588 HydrophobicContact CG-CD1 4.21Å; R561-L588 HydrophobicContact CG-CD2 3.48Å; R561-L588 VanDerWaalsContact CG-CD2 3.48Å; R561-L588 HydrophobicContact CG-CG 4.05Å; F586-L588 HydrophobicContact CB-CD1 4.17Å; L588-D592 VanDerWaalsContact CA-OD2 3.23Å; L588-D592 WeakPolarHBondContact CA-OD2 3.41Å; L588-M595 HydrophobicContact CD2-CG 4.2Å; L588-M595 HydrophobicContact CD2-SD 4.08Å; L588-I627 HydrophobicContact CD1-CD1 4.3Å; L588-I627 HydrophobicContact CD2-CD1 3.83Å; L588-I627 HydrophobicContact CD2-CG2 4.46Å |
| 589 | S | 91.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 149.7 | 168.7 | 172.9 | 0 | 0 | 0 | 0 | 110 | Y428 T430 E431 E591 D592 M595 | Y428-S589 WeakPolarHBondContact O-CA 3.35Å; T430-S589 WeakPolarHBondContact CA-OG 3.44Å; E431-S589 PolarHBondContact N-OG 3Å; E431-S589 VanDerWaalsContact N-OG 3.12Å; S589-E591 PolarHBondContact O-N 3.41Å; S589-E591 VanDerWaalsContact O-N 3.12Å; S589-E591 WeakPolarHBondContact OG-CB 3.27Å; S589-E591 PolarHBondContact OG-N 2.96Å; S589-D592 WeakPolarHBondContact CB-OD1 3.34Å; S589-D592 VanDerWaalsContact N-CG 3.33Å; S589-D592 PolarHBondContact N-OD2 3.36Å; S589-D592 VanDerWaalsContact O-CB 3.31Å; S589-D592 WeakPolarHBondContact O-CB 3.18Å; S589-D592 VanDerWaalsContact O-CG 3.29Å; S589-D592 PolarHBondContact O-N 3.1Å; S589-M595 WeakPolarHBondContact O-CB 3.49Å; S589-M595 VanDerWaalsContact O-CG 3.23Å; S589-M595 WeakPolarHBondContact O-CG 3.41Å |
| 590 | M | 86.6 | Confident | 86.2 | Confident | 13 Ų | 13 | 34.1 Ų | 34.1 | 6% | 0.064 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.5 | 167.7 | -64.4 | -58 | -64.1 | 0 | 0 | 113 | V427 Y428 M429 M595 A599 V603 S604 M607 | V427-M590 HydrophobicContact CG1-SD 3.96Å; Y428-M590 PolarHBondContact O-N 2.94Å; M429-M590 HydrophobicContact SD-CG 4.16Å; M590-M595 HydrophobicContact CE-CE 4.16Å; M590-M595 HydrophobicContact SD-CE 3.5Å; M590-M595 WeakPolarHBondContact SD-CE 3.46Å; M590-A599 HydrophobicContact CE-CB 3.46Å; M590-A599 VanDerWaalsContact CE-CB 3.46Å; M590-V603 HydrophobicContact CE-CG1 4.5Å; M590-S604 WeakPolarHBondContact CE-OG 3.42Å; M590-M607 HydrophobicContact CE-CE 3.59Å; M590-M607 HydrophobicContact CG-CE 4.4Å; M590-M607 HydrophobicContact SD-CE 3.4Å; M590-M607 WeakPolarHBondContact SD-CE 3.5Å |
| 591 | E | 87.6 | Confident | 85 | Confident | 96 Ų | 96 | 39.1 Ų | 39.1 | 45% | 0.449 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -14.9 | 176.1 | -62.4 | 170.5 | 163.8 | 0 | 0 | 113.2 | E431 S589 R596 | E431-E591 WeakPolarHBondContact CB-OE2 3.3Å; E431-E591 PolarHBondContact N-OE2 3.37Å; S589-E591 PolarHBondContact O-N 3.41Å; S589-E591 VanDerWaalsContact O-N 3.12Å; S589-E591 WeakPolarHBondContact OG-CB 3.27Å; S589-E591 PolarHBondContact OG-N 2.96Å; E591-R596 PolarHBondContact O-NE 2.87Å |
| 592 | D | 88.5 | Confident | 83.7 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -61 | 150 | -179.8 | -63.7 | -12.3 | 0 | 0 | 0 | 111 | K434 E560 L588 S589 L594 M595 R596 | K434-D592 IonicContact NZ-OD1 2.73Å; K434-D592 PolarHBondContact NZ-OD1 3.27Å; E560-D592 HydrophobicContact CG-CB 4.49Å; L588-D592 VanDerWaalsContact CA-OD2 3.23Å; L588-D592 WeakPolarHBondContact CA-OD2 3.41Å; S589-D592 WeakPolarHBondContact CB-OD1 3.34Å; S589-D592 VanDerWaalsContact N-CG 3.33Å; S589-D592 PolarHBondContact N-OD2 3.36Å; S589-D592 VanDerWaalsContact O-CB 3.31Å; S589-D592 WeakPolarHBondContact O-CB 3.18Å; S589-D592 VanDerWaalsContact O-CG 3.29Å; S589-D592 PolarHBondContact O-N 3.1Å; D592-L594 PolarHBondContact O-N 3Å; D592-M595 HydrophobicContact CB-CB 4.31Å; D592-M595 HydrophobicContact CB-CG 4.24Å; D592-M595 PolarHBondContact O-N 3.02Å; D592-R596 PolarHBondContact O-N 2.73Å |
| 593 | A | 84.3 | Confident | 82.3 | Confident | 36 Ų | 36 | 50.4 Ų | 50.4 | 30% | 0.298 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.2 | -48.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M595 R596 I597 | A593-M595 VanDerWaalsContact C-N 3.28Å; A593-M595 PolarHBondContact O-N 3.4Å; A593-R596 PolarHBondContact O-N 3.08Å; A593-I597 WeakPolarHBondContact O-CG1 3.26Å; A593-I597 PolarHBondContact O-N 3.03Å; A593-I597 VanDerWaalsContact O-N 3.15Å |
| 594 | L | 84.2 | Confident | 80.9 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.2 | -39.5 | 177.1 | -174.4 | 69.2 | 0 | 0 | 0 | 111.4 | R561 D592 I597 F598 I627 Q631 V634 | R561-L594 HydrophobicContact CB-CD2 3.55Å; D592-L594 PolarHBondContact O-N 3Å; L594-I597 PolarHBondContact O-N 3.43Å; L594-F598 HydrophobicContact CD1-CD2 3.88Å; L594-F598 HydrophobicContact CD1-CE2 3.66Å; L594-F598 HydrophobicContact CG-CD2 4.29Å; L594-F598 WeakPolarHBondContact O-CD2 3.48Å; L594-F598 PolarHBondContact O-N 2.81Å; L594-I627 HydrophobicContact CD2-CG2 3.88Å; L594-Q631 HydrophobicContact CD2-CG 3.8Å; L594-V634 HydrophobicContact CD1-CG2 4.08Å |
| 595 | M | 84.3 | Confident | 79.6 | Confident | 23 Ų | 23 | 52.2 Ų | 52.2 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.5 | -40.2 | 179.3 | -68.4 | -56.9 | -65.5 | 0 | 0 | 111.4 | V427 L588 S589 M590 D592 A593 I597 F598 A599 I627 | V427-M595 HydrophobicContact CG1-CE 4.27Å; L588-M595 HydrophobicContact CD2-CG 4.2Å; L588-M595 HydrophobicContact CD2-SD 4.08Å; S589-M595 WeakPolarHBondContact O-CB 3.49Å; S589-M595 VanDerWaalsContact O-CG 3.23Å; S589-M595 WeakPolarHBondContact O-CG 3.41Å; M590-M595 HydrophobicContact CE-CE 4.16Å; M590-M595 HydrophobicContact SD-CE 3.5Å; M590-M595 WeakPolarHBondContact SD-CE 3.46Å; D592-M595 HydrophobicContact CB-CB 4.31Å; D592-M595 HydrophobicContact CB-CG 4.24Å; D592-M595 PolarHBondContact O-N 3.02Å; A593-M595 VanDerWaalsContact C-N 3.28Å; A593-M595 PolarHBondContact O-N 3.4Å; M595-I597 VanDerWaalsContact C-N 3.32Å; M595-I597 PolarHBondContact O-N 2.85Å; M595-F598 PolarHBondContact O-N 2.72Å; M595-A599 WeakPolarHBondContact O-CA 3.45Å; M595-A599 WeakPolarHBondContact O-CB 3.16Å; M595-A599 PolarHBondContact O-N 3.18Å; M595-I627 HydrophobicContact SD-CG1 4.4Å |
| 596 | R | 81 | Confident | 78.3 | Confident | 170 Ų | 170 | 55.6 Ų | 55.6 | 64% | 0.642 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.8 | -35.7 | 174.3 | -72.4 | -173.1 | -76.5 | 140.1 | -2 | 113.5 | E591 D592 A593 | E591-R596 PolarHBondContact O-NE 2.87Å; D592-R596 PolarHBondContact O-N 2.73Å; A593-R596 PolarHBondContact O-N 3.08Å |
| 597 | I | 73.6 | Confident | 76.9 | Confident | 79 Ų | 79 | 57 Ų | 57 | 41% | 0.405 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.5 | -35.4 | 179.8 | -66 | 165 | 0 | 0 | 0 | 111.7 | A593 L594 M595 | A593-I597 WeakPolarHBondContact O-CG1 3.26Å; A593-I597 PolarHBondContact O-N 3.03Å; A593-I597 VanDerWaalsContact O-N 3.15Å; L594-I597 PolarHBondContact O-N 3.43Å; M595-I597 VanDerWaalsContact C-N 3.32Å; M595-I597 PolarHBondContact O-N 2.85Å |
| 598 | F | 69.1 | Low | 75.6 | Confident | 73 Ų | 73 | 65.4 Ų | 65.4 | 32% | 0.32 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -103.2 | -37 | -174.5 | -76.6 | -77.6 | 0 | 0 | 0 | 115.1 | L594 M595 S600 A630 K633 V634 | L594-F598 HydrophobicContact CD1-CD2 3.88Å; L594-F598 HydrophobicContact CD1-CE2 3.66Å; L594-F598 HydrophobicContact CG-CD2 4.29Å; L594-F598 WeakPolarHBondContact O-CD2 3.48Å; L594-F598 PolarHBondContact O-N 2.81Å; M595-F598 PolarHBondContact O-N 2.72Å; F598-S600 PolarHBondContact O-N 3.02Å; F598-S600 VanDerWaalsContact O-N 3.16Å; F598-A630 HydrophobicContact CB-CB 4.21Å; F598-A630 HydrophobicContact CD1-CB 3.54Å; F598-A630 HydrophobicContact CD2-CB 3.31Å; F598-A630 HydrophobicContact CE1-CB 3.66Å; F598-A630 HydrophobicContact CE2-CB 3.43Å; F598-A630 VanDerWaalsContact CE2-CB 3.43Å; F598-A630 WeakPolarHBondContact CE2-O 3.2Å; F598-A630 HydrophobicContact CG-CB 3.37Å; F598-A630 VanDerWaalsContact CZ-CA 3.44Å; F598-A630 HydrophobicContact CZ-CB 3.62Å; F598-A630 WeakPolarHBondContact CZ-O 3.38Å; F598-K633 HydrophobicContact CE1-CB 4Å; F598-K633 HydrophobicContact CE1-CD 3.92Å; F598-K633 HydrophobicContact CZ-CB 3.97Å; F598-V634 HydrophobicContact CE2-CG2 3.27Å; F598-V634 HydrophobicContact CZ-CG2 3.42Å; F598-V634 VanDerWaalsContact CZ-CG2 3.42Å |
| 599 | A | 65.9 | Low | 74.4 | Confident | 13 Ų | 13 | 74.4 Ų | 74.4 | 11% | 0.107 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -80.8 | 96.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | M590 M595 V603 | M590-A599 HydrophobicContact CE-CB 3.46Å; M590-A599 VanDerWaalsContact CE-CB 3.46Å; M595-A599 WeakPolarHBondContact O-CA 3.45Å; M595-A599 WeakPolarHBondContact O-CB 3.16Å; M595-A599 PolarHBondContact O-N 3.18Å; A599-V603 HydrophobicContact CB-CB 4.3Å; A599-V603 HydrophobicContact CB-CG1 4.42Å |
| 600 | S | 60 | Low | 73.3 | Confident | 65 Ų | 65 | 80.6 Ų | 80.6 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | trans | -49 | 147.3 | 162.3 | 61.3 | 0 | 0 | 0 | 0 | 109.4 | F598 R602 V603 | F598-S600 PolarHBondContact O-N 3.02Å; F598-S600 VanDerWaalsContact O-N 3.16Å; S600-R602 PolarHBondContact O-N 3.48Å; S600-V603 PolarHBondContact O-N 3.01Å | ||
| 601 | D | 66.2 | Low | 72.4 | Confident | 149 Ų | 149 | 82.4 Ų | 82.4 | 80% | 0.797 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -48.3 | -25.6 | 174.3 | -68.1 | -44 | 0 | 0 | 0 | 113 | G605 | D601-G605 PolarHBondContact O-N 3.48Å |
| 602 | R | 64.4 | Low | 71.6 | Confident | 216 Ų | 216 | 80 Ų | 80 | 82% | 0.815 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.4 | -40.2 | 173.7 | -162.6 | 178.9 | -172 | 177.5 | 3.5 | 113.9 | S600 M606 | S600-R602 PolarHBondContact O-N 3.48Å; R602-M606 WeakPolarHBondContact O-CB 3.44Å; R602-M606 PolarHBondContact O-N 3.48Å |
| 603 | V | 66.5 | Low | 71 | Confident | 56 Ų | 56 | 87 Ų | 87 | 34% | 0.339 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69.9 | -48.9 | 178.2 | 174.6 | 0 | 0 | 0 | 0 | 109.5 | M590 A599 S600 G605 M606 M607 | M590-V603 HydrophobicContact CE-CG1 4.5Å; A599-V603 HydrophobicContact CB-CB 4.3Å; A599-V603 HydrophobicContact CB-CG1 4.42Å; S600-V603 PolarHBondContact O-N 3.01Å; V603-G605 VanDerWaalsContact C-N 3.3Å; V603-G605 PolarHBondContact O-N 3.35Å; V603-M606 PolarHBondContact O-N 2.88Å; V603-M607 HydrophobicContact CG1-CE 3.92Å; V603-M607 WeakPolarHBondContact O-CG 3.42Å; V603-M607 PolarHBondContact O-N 3.47Å |
| 604 | S | 66.7 | Low | 70.5 | Confident | 17 Ų | 17 | 91 Ų | 91 | 12% | 0.119 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -57.7 | -42.4 | 174.7 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | M590 M607 R608 | M590-S604 WeakPolarHBondContact CE-OG 3.42Å; S604-M607 PolarHBondContact O-N 2.91Å; S604-R608 WeakPolarHBondContact O-CG 3.23Å; S604-R608 PolarHBondContact O-N 3.28Å; S604-R608 VanDerWaalsContact O-N 3.13Å |
| 605 | G | 69.3 | Low | 70.2 | Confident | 31 Ų | 31 | 92.9 Ų | 92.9 | 32% | 0.32 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.4 | -35.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D601 V603 K609 | D601-G605 PolarHBondContact O-N 3.48Å; V603-G605 VanDerWaalsContact C-N 3.3Å; V603-G605 PolarHBondContact O-N 3.35Å; G605-K609 WeakPolarHBondContact O-CG 3.24Å; G605-K609 PolarHBondContact O-N 3.04Å |
| 606 | M | 67.9 | Low | 70.2 | Confident | 111 Ų | 111 | 96.6 Ų | 96.6 | 55% | 0.547 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.1 | -40.5 | 174.1 | -172.1 | -179.8 | 74.9 | 0 | 0 | 111.5 | R602 V603 K609 L610 | R602-M606 WeakPolarHBondContact O-CB 3.44Å; R602-M606 PolarHBondContact O-N 3.48Å; V603-M606 PolarHBondContact O-N 2.88Å; M606-K609 PolarHBondContact O-N 3.39Å; M606-L610 HydrophobicContact CE-CD1 4.39Å; M606-L610 HydrophobicContact CG-CD1 4.18Å; M606-L610 WeakPolarHBondContact O-CG 3.41Å; M606-L610 PolarHBondContact O-N 3.49Å |
| 607 | M | 66.4 | Low | 70.5 | Confident | 31 Ų | 31 | 90 Ų | 90 | 15% | 0.153 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 178.7 | -69 | -150.3 | -92.7 | 0 | 0 | 112.7 | M429 M590 V603 S604 K609 L610 M612 I618 | M429-M607 HydrophobicContact SD-CB 4.39Å; M590-M607 HydrophobicContact CE-CE 3.59Å; M590-M607 HydrophobicContact CG-CE 4.4Å; M590-M607 HydrophobicContact SD-CE 3.4Å; M590-M607 WeakPolarHBondContact SD-CE 3.5Å; V603-M607 HydrophobicContact CG1-CE 3.92Å; V603-M607 WeakPolarHBondContact O-CG 3.42Å; V603-M607 PolarHBondContact O-N 3.47Å; S604-M607 PolarHBondContact O-N 2.91Å; M607-K609 VanDerWaalsContact C-N 3.29Å; M607-K609 PolarHBondContact O-N 3.41Å; M607-L610 PolarHBondContact O-N 3.16Å; M607-M612 HydrophobicContact CB-SD 4.45Å; M607-I618 HydrophobicContact CE-CD1 4.26Å; M607-I618 HydrophobicContact SD-CD1 3.13Å; M607-I618 WeakPolarHBondContact SD-CD1 3.44Å |
| 608 | R | 69.1 | Low | 71 | Confident | 182 Ų | 182 | 88.4 Ų | 88.4 | 69% | 0.687 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -59.7 | -39.4 | 170.7 | -69.7 | -177.4 | -150.1 | -152 | 3.5 | 112.3 | M429 S604 L610 G611 | M429-R608 HydrophobicContact CE-CG 3.63Å; S604-R608 WeakPolarHBondContact O-CG 3.23Å; S604-R608 PolarHBondContact O-N 3.28Å; S604-R608 VanDerWaalsContact O-N 3.13Å; R608-L610 VanDerWaalsContact C-N 3.35Å; R608-G611 PolarHBondContact O-N 3.05Å |
| 609 | K | 70.5 | Confident | 71.7 | Confident | 190 Ų | 190 | 89.5 Ų | 89.5 | 83% | 0.826 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -70.3 | -28.7 | 177.2 | -75 | -178.4 | -178.7 | -178.3 | 0 | 113.6 | G605 M606 M607 G611 | G605-K609 WeakPolarHBondContact O-CG 3.24Å; G605-K609 PolarHBondContact O-N 3.04Å; M606-K609 PolarHBondContact O-N 3.39Å; M607-K609 VanDerWaalsContact C-N 3.29Å; M607-K609 PolarHBondContact O-N 3.41Å; K609-G611 PolarHBondContact O-N 3.12Å |
| 610 | L | 67.9 | Low | 72.3 | Confident | 129 Ų | 129 | 92.4 Ų | 92.4 | 68% | 0.675 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -7.1 | 177.3 | -79 | 163.2 | 0 | 0 | 0 | 113.3 | M606 M607 R608 | M606-L610 HydrophobicContact CE-CD1 4.39Å; M606-L610 HydrophobicContact CG-CD1 4.18Å; M606-L610 WeakPolarHBondContact O-CG 3.41Å; M606-L610 PolarHBondContact O-N 3.49Å; M607-L610 PolarHBondContact O-N 3.16Å; R608-L610 VanDerWaalsContact C-N 3.35Å |
| 611 | G | 67.8 | Low | 73.3 | Confident | 52 Ų | 52 | 93.3 Ų | 93.3 | 54% | 0.536 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 31.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | R608 K609 K613 | R608-G611 PolarHBondContact O-N 3.05Å; K609-G611 PolarHBondContact O-N 3.12Å; G611-K613 PolarHBondContact O-N 3.16Å |
| 612 | M | 70 | Confident | 73.8 | Confident | 44 Ų | 44 | 95.7 Ų | 95.7 | 22% | 0.217 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -53.8 | 127.6 | 168.9 | -75.4 | -178.5 | 70 | 0 | 0 | 110.2 | M429 M607 E616 I618 | M429-M612 HydrophobicContact CG-CE 4.33Å; M429-M612 HydrophobicContact CG-SD 4.3Å; M429-M612 HydrophobicContact SD-SD 4.19Å; M607-M612 HydrophobicContact CB-SD 4.45Å; M612-E616 WeakPolarHBondContact CE-O 3.25Å; M612-I618 HydrophobicContact CE-CD1 3.96Å; M612-I618 HydrophobicContact CE-CG1 3.66Å; M612-I618 HydrophobicContact SD-CD1 3.48Å; M612-I618 WeakPolarHBondContact SD-CD1 3.43Å; M612-I618 HydrophobicContact SD-CG1 3.75Å |
| 613 | K | 75.1 | Confident | 74.6 | Confident | 154 Ų | 154 | 87.4 Ų | 87.4 | 67% | 0.67 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 150.1 | 174.3 | -66.4 | 175.5 | -176.2 | 171.4 | 0 | 109.7 | G611 G615 E616 | G611-K613 PolarHBondContact O-N 3.16Å; K613-G615 PolarHBondContact O-N 3.43Å; K613-E616 HydrophobicContact CB-CB 4.31Å; K613-E616 PolarHBondContact N-OE2 2.8Å; K613-E616 VanDerWaalsContact O-CB 3.24Å; K613-E616 WeakPolarHBondContact O-CB 3.41Å; K613-E616 PolarHBondContact O-N 3.32Å |
| 614 | P | 73.7 | Confident | 75.5 | Confident | 121 Ų | 121 | 86.3 Ų | 86.3 | 79% | 0.786 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 129.6 | 171.5 | -25 | 34 | 0 | 0 | 0 | 111.1 | E433 E616 | E433-P614 VanDerWaalsContact OE1-CA 3.3Å; E433-P614 WeakPolarHBondContact OE1-CA 3.32Å; P614-E616 VanDerWaalsContact C-N 3.32Å; P614-E616 PolarHBondContact O-N 2.9Å |
| 615 | G | 78.6 | Confident | 76.4 | Confident | 45 Ų | 45 | 92.1 Ų | 92.1 | 46% | 0.464 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -0.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | E433 K613 | E433-G615 PolarHBondContact OE1-N 2.84Å; K613-G615 PolarHBondContact O-N 3.43Å |
| 616 | E | 85.6 | Confident | 77.2 | Confident | 101 Ų | 101 | 93.4 Ų | 93.4 | 47% | 0.472 | 48% | 0.483 | S | S | . | . | trans | -77 | 127.5 | 173.3 | -170.8 | 174.3 | -175 | 0 | 0 | 110.4 | M612 K613 P614 | M612-E616 WeakPolarHBondContact CE-O 3.25Å; K613-E616 HydrophobicContact CB-CB 4.31Å; K613-E616 PolarHBondContact N-OE2 2.8Å; K613-E616 VanDerWaalsContact O-CB 3.24Å; K613-E616 WeakPolarHBondContact O-CB 3.41Å; K613-E616 PolarHBondContact O-N 3.32Å; P614-E616 VanDerWaalsContact C-N 3.32Å; P614-E616 PolarHBondContact O-N 2.9Å | ||
| 617 | A | 87 | Confident | 78.1 | Confident | 32 Ų | 32 | 88.6 Ų | 88.6 | 26% | 0.264 | 46% | 0.46 | S | S | . | . | trans | -93.7 | 142.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | L426 Y428 E619 | L426-A617 HydrophobicContact CB-CB 4.04Å; L426-A617 HydrophobicContact CD2-CB 4.01Å; L426-A617 HydrophobicContact CG-CB 4.44Å; Y428-A617 HydrophobicContact CD1-CB 4.28Å; Y428-A617 HydrophobicContact CE1-CB 3.65Å; Y428-A617 HydrophobicContact CE2-CB 4.15Å; A617-E619 PolarHBondContact O-N 2.91Å | ||
| 618 | I | 83.2 | Confident | 79.1 | Confident | 45 Ų | 45 | 87.9 Ų | 87.9 | 23% | 0.231 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 113.8 | 164 | -61.1 | 166.4 | 0 | 0 | 0 | 108.3 | V427 M607 M612 V623 | V427-I618 HydrophobicContact CB-CB 4.45Å; V427-I618 PolarHBondContact N-O 2.96Å; V427-I618 PolarHBondContact O-N 2.96Å; M607-I618 HydrophobicContact CE-CD1 4.26Å; M607-I618 HydrophobicContact SD-CD1 3.13Å; M607-I618 WeakPolarHBondContact SD-CD1 3.44Å; M612-I618 HydrophobicContact CE-CD1 3.96Å; M612-I618 HydrophobicContact CE-CG1 3.66Å; M612-I618 HydrophobicContact SD-CD1 3.48Å; M612-I618 WeakPolarHBondContact SD-CD1 3.43Å; M612-I618 HydrophobicContact SD-CG1 3.75Å; I618-V623 HydrophobicContact CG2-CG2 3.86Å |
| 619 | E | 83.3 | Confident | 79.9 | Confident | 95 Ų | 95 | 82.3 Ų | 82.3 | 44% | 0.444 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 108.6 | 172.8 | -166.7 | 174.1 | -167 | 0 | 0 | 109.7 | P424 L426 R585 A617 | P424-E619 HydrophobicContact CB-CG 3.87Å; P424-E619 HydrophobicContact CG-CG 4.34Å; L426-E619 HydrophobicContact CD2-CB 3.55Å; L426-E619 HydrophobicContact CD2-CG 3.61Å; R585-E619 IonicContact CZ-OE1 3.86Å; R585-E619 IonicContact NH2-OE1 2.81Å; R585-E619 PolarHBondContact NH2-OE1 2.85Å; A617-E619 PolarHBondContact O-N 2.91Å |
| 620 | H | 79.3 | Confident | 80.7 | Confident | 75 Ų | 75 | 73.7 Ų | 73.7 | 35% | 0.347 | 41% | 0.407 | S | S | . | . | trans | -154.2 | 140 | 170.5 | -163.4 | -96.6 | 0 | 0 | 0 | 112.3 | W622 V623 T624 | H620-W622 AromaticContact CE1-CD1 3.73Å; H620-W622 AromaticContact CE1-CD2 3.31Å; H620-W622 AromaticContact CE1-CE2 3.66Å; H620-W622 AromaticContact CE1-CE3 3.7Å; H620-W622 AromaticContact CE1-CG 3.39Å; H620-W622 AromaticContact CE1-NE1 3.87Å; H620-W622 VanDerWaalsContact ND1-CB 3.33Å; H620-W622 WeakPolarHBondContact ND1-CB 3.45Å; H620-W622 AromaticContact ND1-CD1 3.92Å; H620-W622 AromaticContact ND1-CD2 3.63Å; H620-W622 AromaticContact ND1-CE3 3.97Å; H620-W622 AromaticContact ND1-CG 3.33Å; H620-W622 VanDerWaalsContact ND1-CG 3.33Å; H620-W622 PolarHBondContact ND1-N 2.95Å; H620-W622 VanDerWaalsContact ND1-N 3.11Å; H620-W622 PolarHBondContact O-N 3.35Å; H620-V623 HydrophobicContact CB-CG2 4.16Å; H620-V623 WeakPolarHBondContact O-CB 3.42Å; H620-V623 PolarHBondContact O-N 2.82Å; H620-T624 PolarHBondContact O-N 3.18Å | ||
| 621 | P | 80.7 | Confident | 81.7 | Confident | 83 Ų | 83 | 67.7 Ų | 67.7 | 54% | 0.539 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -55.4 | -28.1 | 176.8 | -28.3 | 35.6 | 0 | 0 | 0 | 114.8 | K625 | P621-K625 WeakPolarHBondContact O-CB 3.39Å; P621-K625 PolarHBondContact O-N 2.81Å |
| 622 | W | 76.1 | Confident | 82.7 | Confident | 199 Ų | 199 | 71.6 Ų | 71.6 | 75% | 0.754 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -71 | -32.1 | 175.5 | -61.2 | -11.8 | 0 | 0 | 0 | 113.1 | H620 K625 A626 | H620-W622 AromaticContact CE1-CD1 3.73Å; H620-W622 AromaticContact CE1-CD2 3.31Å; H620-W622 AromaticContact CE1-CE2 3.66Å; H620-W622 AromaticContact CE1-CE3 3.7Å; H620-W622 AromaticContact CE1-CG 3.39Å; H620-W622 AromaticContact CE1-NE1 3.87Å; H620-W622 VanDerWaalsContact ND1-CB 3.33Å; H620-W622 WeakPolarHBondContact ND1-CB 3.45Å; H620-W622 AromaticContact ND1-CD1 3.92Å; H620-W622 AromaticContact ND1-CD2 3.63Å; H620-W622 AromaticContact ND1-CE3 3.97Å; H620-W622 AromaticContact ND1-CG 3.33Å; H620-W622 VanDerWaalsContact ND1-CG 3.33Å; H620-W622 PolarHBondContact ND1-N 2.95Å; H620-W622 VanDerWaalsContact ND1-N 3.11Å; H620-W622 PolarHBondContact O-N 3.35Å; W622-K625 PolarHBondContact O-N 2.87Å; W622-A626 WeakPolarHBondContact O-CB 3.44Å; W622-A626 PolarHBondContact O-N 3.5Å |
| 623 | V | 82.1 | Confident | 83.5 | Confident | 42 Ų | 42 | 76.5 Ų | 76.5 | 26% | 0.255 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.4 | -49.3 | 176.1 | 175.6 | 0 | 0 | 0 | 0 | 109.3 | V427 I618 H620 K625 A626 I627 | V427-V623 HydrophobicContact CG2-CG1 3.73Å; I618-V623 HydrophobicContact CG2-CG2 3.86Å; H620-V623 HydrophobicContact CB-CG2 4.16Å; H620-V623 WeakPolarHBondContact O-CB 3.42Å; H620-V623 PolarHBondContact O-N 2.82Å; V623-K625 VanDerWaalsContact C-N 3.27Å; V623-K625 PolarHBondContact O-N 2.85Å; V623-A626 WeakPolarHBondContact O-CB 3.44Å; V623-A626 PolarHBondContact O-N 3.27Å; V623-I627 HydrophobicContact CG1-CD1 3.95Å; V623-I627 WeakPolarHBondContact O-CG1 3.42Å; V623-I627 PolarHBondContact O-N 3.12Å |
| 624 | T | 84.9 | Confident | 84 | Confident | 33 Ų | 33 | 69.3 Ų | 69.3 | 20% | 0.202 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -55 | -42.1 | 173.3 | -57.3 | 0 | 0 | 0 | 0 | 112.1 | D425 H620 I627 A628 | D425-T624 PolarHBondContact N-OG1 3.02Å; D425-T624 VanDerWaalsContact N-OG1 3.1Å; H620-T624 PolarHBondContact O-N 3.18Å; T624-I627 PolarHBondContact O-N 3.24Å; T624-A628 PolarHBondContact O-N 3.1Å |
| 625 | K | 86.3 | Confident | 84.5 | Confident | 139 Ų | 139 | 64.5 Ų | 64.5 | 60% | 0.604 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.9 | -36.8 | 176.5 | -171.6 | 177.6 | -179.7 | -177 | 0 | 112.9 | P621 W622 V623 A628 N629 | P621-K625 WeakPolarHBondContact O-CB 3.39Å; P621-K625 PolarHBondContact O-N 2.81Å; W622-K625 PolarHBondContact O-N 2.87Å; V623-K625 VanDerWaalsContact C-N 3.27Å; V623-K625 PolarHBondContact O-N 2.85Å; K625-A628 PolarHBondContact O-N 2.81Å; K625-N629 PolarHBondContact O-N 2.88Å; K625-N629 PolarHBondContact O-ND2 2.99Å |
| 626 | A | 84.9 | Confident | 84.9 | Confident | 58 Ų | 58 | 65.5 Ų | 65.5 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | W622 V623 N629 A630 | W622-A626 WeakPolarHBondContact O-CB 3.44Å; W622-A626 PolarHBondContact O-N 3.5Å; V623-A626 WeakPolarHBondContact O-CB 3.44Å; V623-A626 PolarHBondContact O-N 3.27Å; A626-N629 PolarHBondContact O-N 3.38Å; A626-A630 PolarHBondContact O-N 2.81Å |
| 627 | I | 87 | Confident | 84.9 | Confident | 10 Ų | 10 | 66.6 Ų | 66.6 | 5% | 0.051 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 175.9 | -60.5 | 160.7 | 0 | 0 | 0 | 111.1 | D425 V427 R561 L588 L594 M595 V623 T624 N629 A630 Q631 | D425-I627 HydrophobicContact CB-CD1 4.37Å; V427-I627 HydrophobicContact CG2-CD1 4.27Å; R561-I627 HydrophobicContact CB-CG2 4.26Å; R561-I627 HydrophobicContact CG-CG2 3.76Å; L588-I627 HydrophobicContact CD1-CD1 4.3Å; L588-I627 HydrophobicContact CD2-CD1 3.83Å; L588-I627 HydrophobicContact CD2-CG2 4.46Å; L594-I627 HydrophobicContact CD2-CG2 3.88Å; M595-I627 HydrophobicContact SD-CG1 4.4Å; V623-I627 HydrophobicContact CG1-CD1 3.95Å; V623-I627 WeakPolarHBondContact O-CG1 3.42Å; V623-I627 PolarHBondContact O-N 3.12Å; T624-I627 PolarHBondContact O-N 3.24Å; I627-N629 VanDerWaalsContact C-N 3.29Å; I627-N629 PolarHBondContact O-N 3.32Å; I627-A630 WeakPolarHBondContact O-CA 3.31Å; I627-A630 VanDerWaalsContact O-CB 3.23Å; I627-A630 WeakPolarHBondContact O-CB 3.44Å; I627-A630 PolarHBondContact O-N 3.4Å; I627-A630 VanDerWaalsContact O-N 3.07Å; I627-Q631 PolarHBondContact O-N 3.16Å |
| 628 | A | 87.5 | Confident | 84.7 | Confident | 16 Ų | 16 | 67.1 Ų | 67.1 | 13% | 0.132 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63 | -33.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T624 K625 R632 | T624-A628 PolarHBondContact O-N 3.1Å; K625-A628 PolarHBondContact O-N 2.81Å; A628-R632 PolarHBondContact O-N 2.9Å |
| 629 | N | 87.2 | Confident | 84.8 | Confident | 66 Ų | 66 | 65.8 Ų | 65.8 | 35% | 0.353 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72.6 | -31.6 | 173.5 | -73.8 | -28.6 | 0 | 0 | 0 | 112.2 | K625 A626 I627 R632 K633 | K625-N629 PolarHBondContact O-N 2.88Å; K625-N629 PolarHBondContact O-ND2 2.99Å; A626-N629 PolarHBondContact O-N 3.38Å; I627-N629 VanDerWaalsContact C-N 3.29Å; I627-N629 PolarHBondContact O-N 3.32Å; N629-R632 PolarHBondContact OD1-NH1 3.27Å; N629-K633 WeakPolarHBondContact O-CG 3.36Å; N629-K633 PolarHBondContact O-N 3.02Å |
| 630 | A | 86.7 | Confident | 84.9 | Confident | 9 Ų | 9 | 65 Ų | 65 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.1 | -53.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.7 | F598 A626 I627 R632 K633 V634 | F598-A630 HydrophobicContact CB-CB 4.21Å; F598-A630 HydrophobicContact CD1-CB 3.54Å; F598-A630 HydrophobicContact CD2-CB 3.31Å; F598-A630 HydrophobicContact CE1-CB 3.66Å; F598-A630 HydrophobicContact CE2-CB 3.43Å; F598-A630 VanDerWaalsContact CE2-CB 3.43Å; F598-A630 WeakPolarHBondContact CE2-O 3.2Å; F598-A630 HydrophobicContact CG-CB 3.37Å; F598-A630 VanDerWaalsContact CZ-CA 3.44Å; F598-A630 HydrophobicContact CZ-CB 3.62Å; F598-A630 WeakPolarHBondContact CZ-O 3.38Å; A626-A630 PolarHBondContact O-N 2.81Å; I627-A630 WeakPolarHBondContact O-CA 3.31Å; I627-A630 VanDerWaalsContact O-CB 3.23Å; I627-A630 WeakPolarHBondContact O-CB 3.44Å; I627-A630 PolarHBondContact O-N 3.4Å; I627-A630 VanDerWaalsContact O-N 3.07Å; A630-R632 VanDerWaalsContact C-N 3.3Å; A630-R632 PolarHBondContact O-N 2.96Å; A630-K633 WeakPolarHBondContact O-CB 3.41Å; A630-K633 PolarHBondContact O-N 3.08Å; A630-V634 PolarHBondContact O-N 3.32Å; A630-V634 VanDerWaalsContact O-N 3.14Å |
| 631 | Q | 89.4 | Confident | 85.1 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 1% | 0.014 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -49.5 | -49.6 | 173.9 | -69.4 | 176.3 | -58.1 | 0 | 0 | 111.7 | H562 E563 R565 D568 L594 I627 K633 V634 E635 | H562-Q631 PolarHBondContact O-NE2 3.4Å; E563-Q631 WeakPolarHBondContact O-CB 3.39Å; R565-Q631 HydrophobicContact CB-CB 4.29Å; D568-Q631 PolarHBondContact OD2-NE2 2.89Å; L594-Q631 HydrophobicContact CD2-CG 3.8Å; I627-Q631 PolarHBondContact O-N 3.16Å; Q631-K633 VanDerWaalsContact C-N 3.25Å; Q631-K633 PolarHBondContact O-N 3.44Å; Q631-K633 VanDerWaalsContact O-N 3.16Å; Q631-V634 PolarHBondContact O-N 2.8Å; Q631-E635 WeakPolarHBondContact O-CG 3.4Å; Q631-E635 PolarHBondContact O-N 3.12Å |
| 632 | R | 88 | Confident | 85.1 | Confident | 134 Ų | 134 | 63 Ų | 63 | 51% | 0.506 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.2 | -34.7 | 178.2 | -167.1 | -174.4 | -65.3 | 123.6 | 3.8 | 113.8 | A628 N629 A630 E635 S636 | A628-R632 PolarHBondContact O-N 2.9Å; N629-R632 PolarHBondContact OD1-NH1 3.27Å; A630-R632 VanDerWaalsContact C-N 3.3Å; A630-R632 PolarHBondContact O-N 2.96Å; R632-E635 WeakPolarHBondContact CA-OE2 3.31Å; R632-S636 WeakPolarHBondContact O-CB 3.44Å; R632-S636 PolarHBondContact O-N 2.84Å |
| 633 | K | 86.6 | Confident | 85.4 | Confident | 146 Ų | 146 | 58 Ų | 58 | 64% | 0.635 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -71.3 | -39 | 176.6 | -74.7 | 177.2 | 174.9 | -173.7 | 0 | 111.7 | F598 N629 A630 Q631 R637 | F598-K633 HydrophobicContact CE1-CB 4Å; F598-K633 HydrophobicContact CE1-CD 3.92Å; F598-K633 HydrophobicContact CZ-CB 3.97Å; N629-K633 WeakPolarHBondContact O-CG 3.36Å; N629-K633 PolarHBondContact O-N 3.02Å; A630-K633 WeakPolarHBondContact O-CB 3.41Å; A630-K633 PolarHBondContact O-N 3.08Å; Q631-K633 VanDerWaalsContact C-N 3.25Å; Q631-K633 PolarHBondContact O-N 3.44Å; Q631-K633 VanDerWaalsContact O-N 3.16Å; K633-R637 PolarHBondContact O-N 3.18Å; K633-R637 VanDerWaalsContact O-N 3.12Å |
| 634 | V | 85.5 | Confident | 85.4 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67 | -46.3 | 175.1 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | E563 L594 F598 A630 Q631 S636 R637 N638 | E563-V634 HydrophobicContact CB-CG1 4.03Å; E563-V634 HydrophobicContact CG-CG1 4.34Å; L594-V634 HydrophobicContact CD1-CG2 4.08Å; F598-V634 HydrophobicContact CE2-CG2 3.27Å; F598-V634 HydrophobicContact CZ-CG2 3.42Å; F598-V634 VanDerWaalsContact CZ-CG2 3.42Å; A630-V634 PolarHBondContact O-N 3.32Å; A630-V634 VanDerWaalsContact O-N 3.14Å; Q631-V634 PolarHBondContact O-N 2.8Å; V634-S636 VanDerWaalsContact C-N 3.34Å; V634-S636 PolarHBondContact O-N 2.84Å; V634-R637 PolarHBondContact O-N 3.44Å; V634-R637 VanDerWaalsContact O-N 3.16Å; V634-N638 WeakPolarHBondContact O-CB 3.37Å; V634-N638 VanDerWaalsContact O-CG 3.28Å; V634-N638 PolarHBondContact O-N 3.36Å; V634-N638 PolarHBondContact O-OD1 3.45Å |
| 635 | E | 85.6 | Confident | 85.2 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 9% | 0.093 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54.3 | -49.5 | 175.8 | -71.6 | 169.6 | 164 | 0 | 0 | 111 | S564 R565 Q631 R632 R637 N638 F639 | S564-E635 VanDerWaalsContact CA-OE1 3.31Å; S564-E635 WeakPolarHBondContact CA-OE1 3.3Å; S564-E635 PolarHBondContact OG-OE1 2.79Å; R565-E635 WeakPolarHBondContact CB-OE1 3.48Å; R565-E635 PolarHBondContact N-OE1 2.88Å; Q631-E635 WeakPolarHBondContact O-CG 3.4Å; Q631-E635 PolarHBondContact O-N 3.12Å; R632-E635 WeakPolarHBondContact CA-OE2 3.31Å; E635-R637 PolarHBondContact O-N 3Å; E635-N638 PolarHBondContact O-N 3.45Å; E635-F639 WeakPolarHBondContact O-CB 3.45Å; E635-F639 PolarHBondContact O-N 2.88Å |
| 636 | S | 86.8 | Confident | 85.2 | Confident | 66 Ų | 66 | 57.9 Ų | 57.9 | 46% | 0.462 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 177.4 | -171.1 | 0 | 0 | 0 | 0 | 112.7 | R632 V634 F639 D640 | R632-S636 WeakPolarHBondContact O-CB 3.44Å; R632-S636 PolarHBondContact O-N 2.84Å; V634-S636 VanDerWaalsContact C-N 3.34Å; V634-S636 PolarHBondContact O-N 2.84Å; S636-F639 PolarHBondContact O-N 3.3Å; S636-D640 VanDerWaalsContact O-CG 3.29Å; S636-D640 PolarHBondContact O-N 2.89Å |
| 637 | R | 84.2 | Confident | 85.2 | Confident | 125 Ų | 125 | 57.6 Ų | 57.6 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 177.7 | -175.4 | -171.3 | 68.7 | -175.8 | 0.5 | 111.3 | K633 V634 E635 F639 D640 I641 | K633-R637 PolarHBondContact O-N 3.18Å; K633-R637 VanDerWaalsContact O-N 3.12Å; V634-R637 PolarHBondContact O-N 3.44Å; V634-R637 VanDerWaalsContact O-N 3.16Å; E635-R637 PolarHBondContact O-N 3Å; R637-F639 VanDerWaalsContact C-N 3.33Å; R637-D640 PolarHBondContact O-N 3Å; R637-I641 HydrophobicContact CG-CD1 4.32Å; R637-I641 WeakPolarHBondContact O-CG1 3.49Å; R637-I641 PolarHBondContact O-N 2.86Å |
| 638 | N | 83.1 | Confident | 85.2 | Confident | 42 Ų | 42 | 58.3 Ų | 58.3 | 23% | 0.225 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.3 | -37.8 | 179 | -68.5 | -3.1 | 0 | 0 | 0 | 110.9 | V634 E635 I641 R642 | V634-N638 WeakPolarHBondContact O-CB 3.37Å; V634-N638 VanDerWaalsContact O-CG 3.28Å; V634-N638 PolarHBondContact O-N 3.36Å; V634-N638 PolarHBondContact O-OD1 3.45Å; E635-N638 PolarHBondContact O-N 3.45Å; N638-I641 PolarHBondContact O-N 3.36Å; N638-R642 WeakPolarHBondContact O-CG 3.25Å; N638-R642 PolarHBondContact O-N 2.57Å |
| 639 | F | 85.9 | Confident | 85.1 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60 | -47.1 | 171 | 168.3 | -104.7 | 0 | 0 | 0 | 111.9 | F399 E400 E635 S636 R637 I641 R642 K643 | F399-F639 AromaticContact CD1-CE1 3.83Å; F399-F639 HydrophobicContact CD1-CE1 3.83Å; F399-F639 HydrophobicContact CD1-CE2 4.48Å; F399-F639 AromaticContact CD1-CZ 3.76Å; F399-F639 HydrophobicContact CD1-CZ 3.76Å; F399-F639 AromaticContact CE1-CE1 3.53Å; F399-F639 HydrophobicContact CE1-CE1 3.53Å; F399-F639 AromaticContact CE1-CZ 3.56Å; F399-F639 HydrophobicContact CE1-CZ 3.56Å; E400-F639 HydrophobicContact CB-CD2 3.82Å; E400-F639 HydrophobicContact CB-CE2 3.83Å; E400-F639 HydrophobicContact CG-CD2 3.67Å; E400-F639 HydrophobicContact CG-CE2 3.74Å; E400-F639 VanDerWaalsContact OE2-CD2 3.29Å; E400-F639 WeakPolarHBondContact OE2-CD2 3.44Å; E635-F639 WeakPolarHBondContact O-CB 3.45Å; E635-F639 PolarHBondContact O-N 2.88Å; S636-F639 PolarHBondContact O-N 3.3Å; R637-F639 VanDerWaalsContact C-N 3.33Å; F639-I641 VanDerWaalsContact C-N 3.33Å; F639-I641 PolarHBondContact O-N 3.04Å; F639-R642 PolarHBondContact O-N 3.35Å; F639-K643 HydrophobicContact CE1-CD 4.33Å; F639-K643 HydrophobicContact CZ-CD 4.23Å; F639-K643 WeakPolarHBondContact O-CB 3.43Å; F639-K643 PolarHBondContact O-N 3.39Å |
| 640 | D | 85.2 | Confident | 85.2 | Confident | 80 Ų | 80 | 57.6 Ų | 57.6 | 43% | 0.428 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 179.2 | -70.6 | -32.5 | 0 | 0 | 0 | 111.9 | S636 R637 K643 Q644 | S636-D640 VanDerWaalsContact O-CG 3.29Å; S636-D640 PolarHBondContact O-N 2.89Å; R637-D640 PolarHBondContact O-N 3Å; D640-K643 PolarHBondContact O-N 3.37Å; D640-Q644 WeakPolarHBondContact O-CG 3.47Å; D640-Q644 PolarHBondContact O-N 3.3Å |
| 641 | I | 82.5 | Confident | 85.3 | Confident | 82 Ų | 82 | 58 Ų | 58 | 42% | 0.421 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 174.4 | -67.1 | 165.5 | 0 | 0 | 0 | 110.6 | R637 N638 F639 K643 Q644 L645 | R637-I641 HydrophobicContact CG-CD1 4.32Å; R637-I641 WeakPolarHBondContact O-CG1 3.49Å; R637-I641 PolarHBondContact O-N 2.86Å; N638-I641 PolarHBondContact O-N 3.36Å; F639-I641 VanDerWaalsContact C-N 3.33Å; F639-I641 PolarHBondContact O-N 3.04Å; I641-K643 VanDerWaalsContact C-N 3.33Å; I641-K643 PolarHBondContact O-N 2.9Å; I641-Q644 WeakPolarHBondContact O-CB 2.91Å; I641-Q644 PolarHBondContact O-N 2.98Å; I641-L645 HydrophobicContact CG2-CD1 4.13Å; I641-L645 WeakPolarHBondContact O-CG 3.33Å; I641-L645 PolarHBondContact O-N 2.9Å |
| 642 | R | 80.9 | Confident | 85.2 | Confident | 32 Ų | 32 | 59.1 Ų | 59.1 | 12% | 0.121 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64 | -38.8 | 179.5 | -74.4 | -174.2 | -65.4 | -173.1 | 1.1 | 112.5 | I216 E400 N638 F639 Q644 L645 L646 | I216-R642 PolarHBondContact O-NH1 2.69Å; E400-R642 VanDerWaalsContact CD-NH2 3.29Å; E400-R642 IonicContact OE1-CZ 2.87Å; E400-R642 IonicContact OE1-NE 2.69Å; E400-R642 PolarHBondContact OE1-NE 3.4Å; E400-R642 IonicContact OE1-NH1 2.57Å; E400-R642 PolarHBondContact OE1-NH1 2.68Å; E400-R642 IonicContact OE1-NH2 3.62Å; E400-R642 PolarHBondContact OE1-NH2 2.9Å; E400-R642 IonicContact OE2-CZ 3.43Å; E400-R642 IonicContact OE2-NE 3.08Å; E400-R642 IonicContact OE2-NH2 3.34Å; E400-R642 PolarHBondContact OE2-NH2 3.45Å; N638-R642 WeakPolarHBondContact O-CG 3.25Å; N638-R642 PolarHBondContact O-N 2.57Å; F639-R642 PolarHBondContact O-N 3.35Å; R642-Q644 VanDerWaalsContact C-N 3.29Å; R642-Q644 PolarHBondContact O-N 3.18Å; R642-L645 PolarHBondContact O-N 3.32Å; R642-L646 WeakPolarHBondContact O-CB 3.33Å; R642-L646 PolarHBondContact O-N 3.35Å |
| 643 | K | 83.9 | Confident | 85.2 | Confident | 96 Ų | 96 | 53.2 Ų | 53.2 | 42% | 0.417 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 175.1 | -176.3 | -177.8 | 175.1 | -173.2 | 0 | 110.9 | F639 D640 I641 E647 | F639-K643 HydrophobicContact CE1-CD 4.33Å; F639-K643 HydrophobicContact CZ-CD 4.23Å; F639-K643 WeakPolarHBondContact O-CB 3.43Å; F639-K643 PolarHBondContact O-N 3.39Å; D640-K643 PolarHBondContact O-N 3.37Å; I641-K643 VanDerWaalsContact C-N 3.33Å; I641-K643 PolarHBondContact O-N 2.9Å; K643-E647 VanDerWaalsContact O-CG 3.28Å; K643-E647 WeakPolarHBondContact O-CG 3.36Å; K643-E647 PolarHBondContact O-N 2.85Å |
| 644 | Q | 81.8 | Confident | 85.5 | Confident | 120 Ų | 120 | 50.5 Ų | 50.5 | 56% | 0.561 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -64.3 | -45.3 | 174.8 | -71.9 | 177.8 | -8.3 | 0 | 0 | 111.7 | D640 I641 R642 L646 E647 Y648 | D640-Q644 WeakPolarHBondContact O-CG 3.47Å; D640-Q644 PolarHBondContact O-N 3.3Å; I641-Q644 WeakPolarHBondContact O-CB 2.91Å; I641-Q644 PolarHBondContact O-N 2.98Å; R642-Q644 VanDerWaalsContact C-N 3.29Å; R642-Q644 PolarHBondContact O-N 3.18Å; Q644-L646 PolarHBondContact O-N 3.24Å; Q644-E647 WeakPolarHBondContact O-CB 3.47Å; Q644-E647 PolarHBondContact O-N 3.14Å; Q644-E647 VanDerWaalsContact O-N 3.16Å; Q644-Y648 WeakPolarHBondContact O-CD2 3.45Å |
| 645 | L | 81.2 | Confident | 85.9 | Confident | 78 Ų | 78 | 51 Ų | 51 | 41% | 0.408 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.4 | -46 | 177.9 | -69.8 | 170.2 | 0 | 0 | 0 | 112.2 | I641 R642 E647 Y648 D649 | I641-L645 HydrophobicContact CG2-CD1 4.13Å; I641-L645 WeakPolarHBondContact O-CG 3.33Å; I641-L645 PolarHBondContact O-N 2.9Å; R642-L645 PolarHBondContact O-N 3.32Å; L645-E647 PolarHBondContact O-N 3.1Å; L645-Y648 PolarHBondContact O-N 3.24Å; L645-D649 PolarHBondContact O-N 3.45Å; L645-D649 VanDerWaalsContact O-N 3.07Å |
| 646 | L | 84.9 | Confident | 86.2 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58 | -34.5 | 176.9 | 174.8 | 59.2 | 0 | 0 | 0 | 112.2 | Q378 I404 R642 Q644 Y648 D649 D650 | Q378-L646 HydrophobicContact CB-CD1 4.08Å; I404-L646 HydrophobicContact CB-CD2 4.27Å; I404-L646 HydrophobicContact CD1-CD2 4.08Å; I404-L646 HydrophobicContact CG1-CD2 3.85Å; I404-L646 HydrophobicContact CG2-CD2 3.68Å; R642-L646 WeakPolarHBondContact O-CB 3.33Å; R642-L646 PolarHBondContact O-N 3.35Å; Q644-L646 PolarHBondContact O-N 3.24Å; L646-Y648 VanDerWaalsContact C-N 3.29Å; L646-Y648 PolarHBondContact O-N 2.76Å; L646-D649 PolarHBondContact O-N 3.02Å; L646-D650 VanDerWaalsContact O-CB 3.31Å; L646-D650 WeakPolarHBondContact O-CB 3.24Å; L646-D650 PolarHBondContact O-N 3.44Å |
| 647 | E | 85.3 | Confident | 86.4 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 25% | 0.248 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.1 | -26.9 | 179.1 | -72.9 | 174.1 | 152.5 | 0 | 0 | 113.8 | K643 Q644 L645 V651 K800 | K643-E647 VanDerWaalsContact O-CG 3.28Å; K643-E647 WeakPolarHBondContact O-CG 3.36Å; K643-E647 PolarHBondContact O-N 2.85Å; Q644-E647 WeakPolarHBondContact O-CB 3.47Å; Q644-E647 PolarHBondContact O-N 3.14Å; Q644-E647 VanDerWaalsContact O-N 3.16Å; L645-E647 PolarHBondContact O-N 3.1Å; E647-V651 WeakPolarHBondContact O-CG2 3.47Å; E647-K800 HydrophobicContact CB-CD 4.23Å; E647-K800 IonicContact OE1-NZ 2.81Å; E647-K800 PolarHBondContact OE1-NZ 2.89Å; E647-K800 WeakPolarHBondContact OE2-CD 3.35Å; E647-K800 VanDerWaalsContact OE2-CE 3.32Å; E647-K800 WeakPolarHBondContact OE2-CE 3.47Å; E647-K800 IonicContact OE2-NZ 3.88Å; E647-K800 PolarHBondContact OE2-NZ 3.3Å |
| 648 | Y | 86 | Confident | 86.7 | Confident | 25 Ų | 25 | 49.6 Ų | 49.6 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -77.9 | -43.7 | 170.1 | -67.2 | -86.2 | 0 | 0 | 0 | 110.5 | Q644 L645 L646 D650 V651 I789 K800 Y803 | Q644-Y648 WeakPolarHBondContact O-CD2 3.45Å; L645-Y648 PolarHBondContact O-N 3.24Å; L646-Y648 VanDerWaalsContact C-N 3.29Å; L646-Y648 PolarHBondContact O-N 2.76Å; Y648-D650 VanDerWaalsContact C-N 3.27Å; Y648-D650 PolarHBondContact O-N 2.95Å; Y648-V651 WeakPolarHBondContact O-CB 3.16Å; Y648-V651 PolarHBondContact O-N 3.5Å; Y648-V651 VanDerWaalsContact O-N 3.16Å; Y648-I789 HydrophobicContact CE1-CG2 4.42Å; Y648-K800 HydrophobicContact CE1-CB 4.44Å; Y648-Y803 AromaticContact CD1-CD1 3.53Å; Y648-Y803 HydrophobicContact CD1-CD1 3.53Å; Y648-Y803 HydrophobicContact CD1-CD2 4.05Å; Y648-Y803 AromaticContact CD1-CE1 3.89Å; Y648-Y803 HydrophobicContact CD1-CE1 3.89Å; Y648-Y803 HydrophobicContact CD1-CE2 4.4Å; Y648-Y803 AromaticContact CD1-CG 3.59Å; Y648-Y803 HydrophobicContact CD1-CG 3.59Å; Y648-Y803 HydrophobicContact CE1-CD1 4.23Å; Y648-Y803 HydrophobicContact CE1-CD2 4.42Å; Y648-Y803 AromaticContact CE1-CG 3.92Å; Y648-Y803 HydrophobicContact CE1-CG 3.92Å; Y648-Y803 HydrophobicContact CG-CD1 4.48Å |
| 649 | D | 86.5 | Confident | 87.2 | Confident | 27 Ų | 27 | 47.7 Ų | 47.7 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -33 | 179.4 | -60.6 | -22.9 | 0 | 0 | 0 | 111.8 | T376 L645 L646 V651 A652 N653 R786 | T376-D649 HydrophobicContact CG2-CB 4.29Å; L645-D649 PolarHBondContact O-N 3.45Å; L645-D649 VanDerWaalsContact O-N 3.07Å; L646-D649 PolarHBondContact O-N 3.02Å; D649-V651 VanDerWaalsContact C-N 3.25Å; D649-V651 PolarHBondContact O-N 2.81Å; D649-A652 PolarHBondContact O-N 3.44Å; D649-N653 WeakPolarHBondContact O-CB 3.29Å; D649-N653 PolarHBondContact O-N 2.92Å; D649-R786 IonicContact OD1-CZ 3.41Å; D649-R786 VanDerWaalsContact OD1-CZ 3.32Å; D649-R786 IonicContact OD1-NH1 2.72Å; D649-R786 PolarHBondContact OD1-NH1 3.34Å; D649-R786 IonicContact OD1-NH2 2.75Å; D649-R786 PolarHBondContact OD1-NH2 2.9Å; D649-R786 VanDerWaalsContact OD1-NH2 3.15Å |
| 650 | D | 89.1 | Confident | 87.5 | Confident | 39 Ų | 39 | 47.3 Ų | 47.3 | 21% | 0.209 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.4 | -35.3 | 175.5 | -89.6 | -18.8 | 0 | 0 | 0 | 112.1 | N379 R382 L646 Y648 N653 D654 | N379-D650 PolarHBondContact OD1-OD1 3.33Å; R382-D650 IonicContact CZ-OD1 3.39Å; R382-D650 IonicContact NH1-OD1 2.8Å; R382-D650 PolarHBondContact NH1-OD1 2.81Å; R382-D650 IonicContact NH1-OD2 3.9Å; R382-D650 IonicContact NH2-OD1 3.83Å; L646-D650 VanDerWaalsContact O-CB 3.31Å; L646-D650 WeakPolarHBondContact O-CB 3.24Å; L646-D650 PolarHBondContact O-N 3.44Å; Y648-D650 VanDerWaalsContact C-N 3.27Å; Y648-D650 PolarHBondContact O-N 2.95Å; D650-N653 PolarHBondContact O-N 2.79Å; D650-D654 PolarHBondContact O-N 2.62Å |
| 651 | V | 88.7 | Confident | 87.8 | Confident | 17 Ų | 17 | 47 Ų | 47 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.4 | -49.3 | 179.3 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | E647 Y648 D649 N653 D654 Q655 Y803 K804 S807 | E647-V651 WeakPolarHBondContact O-CG2 3.47Å; Y648-V651 WeakPolarHBondContact O-CB 3.16Å; Y648-V651 PolarHBondContact O-N 3.5Å; Y648-V651 VanDerWaalsContact O-N 3.16Å; D649-V651 VanDerWaalsContact C-N 3.25Å; D649-V651 PolarHBondContact O-N 2.81Å; V651-N653 PolarHBondContact O-N 2.86Å; V651-D654 PolarHBondContact O-N 2.91Å; V651-Q655 WeakPolarHBondContact O-CG 3.49Å; V651-Q655 PolarHBondContact O-N 2.89Å; V651-Y803 HydrophobicContact CB-CD1 4.37Å; V651-Y803 HydrophobicContact CB-CE1 3.98Å; V651-Y803 HydrophobicContact CG1-CD1 4.4Å; V651-Y803 HydrophobicContact CG1-CE1 4.15Å; V651-Y803 HydrophobicContact CG2-CD1 4.29Å; V651-Y803 HydrophobicContact CG2-CE1 4.32Å; V651-K804 HydrophobicContact CG2-CD 4.23Å; V651-K804 HydrophobicContact CG2-CG 3.55Å; V651-S807 WeakPolarHBondContact CG1-OG 3.35Å |
| 652 | A | 86.8 | Confident | 88.2 | Confident | 28 Ų | 28 | 47 Ų | 47 | 23% | 0.231 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -36.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | D649 Q655 R656 M782 | D649-A652 PolarHBondContact O-N 3.44Å; A652-Q655 PolarHBondContact O-N 2.66Å; A652-R656 WeakPolarHBondContact O-CB 3.5Å; A652-R656 PolarHBondContact O-N 3.03Å; A652-M782 HydrophobicContact CB-CE 4.21Å |
| 653 | N | 89.8 | Confident | 88.7 | Confident | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.053 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.4 | -39.3 | 178.1 | -179.8 | 67.3 | 0 | 0 | 0 | 113.7 | N379 D649 D650 V651 Q655 R656 R657 | N379-N653 HydrophobicContact CB-CB 4.33Å; N379-N653 WeakPolarHBondContact CB-OD1 3.48Å; N379-N653 VanDerWaalsContact CG-CG 3.46Å; N379-N653 WeakPolarHBondContact ND2-CB 3.46Å; D649-N653 WeakPolarHBondContact O-CB 3.29Å; D649-N653 PolarHBondContact O-N 2.92Å; D650-N653 PolarHBondContact O-N 2.79Å; V651-N653 PolarHBondContact O-N 2.86Å; N653-Q655 VanDerWaalsContact C-N 3.35Å; N653-R656 PolarHBondContact O-N 3.2Å; N653-R656 PolarHBondContact OD1-NE 3.2Å; N653-R656 PolarHBondContact OD1-NH2 3.25Å; N653-R657 WeakPolarHBondContact O-CB 3.49Å; N653-R657 VanDerWaalsContact O-CG 3.3Å; N653-R657 WeakPolarHBondContact O-CG 3.17Å; N653-R657 PolarHBondContact O-N 3.27Å |
| 654 | D | 91.7 | Very high | 88.9 | Confident | 88 Ų | 88 | 42.9 Ų | 42.9 | 47% | 0.471 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65 | -41 | 176.5 | -76.9 | -21.8 | 0 | 0 | 0 | 111.3 | D650 V651 R657 A658 | D650-D654 PolarHBondContact O-N 2.62Å; V651-D654 PolarHBondContact O-N 2.91Å; D654-R657 PolarHBondContact O-N 3.4Å; D654-R657 IonicContact OD1-NH1 3.48Å; D654-A658 PolarHBondContact O-N 2.72Å; D654-A658 VanDerWaalsContact O-N 3.16Å |
| 655 | Q | 93.2 | Very high | 89.3 | Confident | 13 Ų | 13 | 43.1 Ų | 43.1 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -48.3 | 172.7 | -66.6 | 173.9 | -10 | 0 | 0 | 111.4 | V651 A652 N653 R657 A658 I659 W775 H778 S807 F811 | V651-Q655 WeakPolarHBondContact O-CG 3.49Å; V651-Q655 PolarHBondContact O-N 2.89Å; A652-Q655 PolarHBondContact O-N 2.66Å; N653-Q655 VanDerWaalsContact C-N 3.35Å; Q655-R657 VanDerWaalsContact C-N 3.29Å; Q655-R657 PolarHBondContact O-N 2.77Å; Q655-A658 WeakPolarHBondContact O-CB 3.44Å; Q655-A658 PolarHBondContact O-N 2.8Å; Q655-A658 VanDerWaalsContact O-N 3.08Å; Q655-I659 WeakPolarHBondContact O-CG1 3.34Å; Q655-I659 PolarHBondContact O-N 2.89Å; Q655-W775 HydrophobicContact CB-CH2 4.02Å; Q655-W775 HydrophobicContact CB-CZ3 4.16Å; Q655-H778 PolarHBondContact OE1-NE2 2.85Å; Q655-S807 PolarHBondContact NE2-O 2.9Å; Q655-F811 HydrophobicContact CB-CD2 3.93Å; Q655-F811 HydrophobicContact CB-CE2 3.83Å; Q655-F811 HydrophobicContact CB-CG 4.42Å; Q655-F811 HydrophobicContact CB-CZ 4.25Å; Q655-F811 HydrophobicContact CG-CB 4.34Å; Q655-F811 HydrophobicContact CG-CD1 4.19Å; Q655-F811 HydrophobicContact CG-CD2 3.87Å; Q655-F811 HydrophobicContact CG-CE1 4.48Å; Q655-F811 HydrophobicContact CG-CE2 4.18Å; Q655-F811 HydrophobicContact CG-CG 3.87Å; Q655-F811 HydrophobicContact CG-CZ 4.48Å |
| 656 | R | 91.7 | Very high | 89.7 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57 | -41.9 | 176.5 | -174.9 | -168 | 63.7 | 75.6 | -1.4 | 112.1 | Y186 A652 N653 A658 I659 Y660 W775 | Y186-R656 PolarHBondContact OH-NH1 3.15Å; A652-R656 WeakPolarHBondContact O-CB 3.5Å; A652-R656 PolarHBondContact O-N 3.03Å; N653-R656 PolarHBondContact O-N 3.2Å; N653-R656 PolarHBondContact OD1-NE 3.2Å; N653-R656 PolarHBondContact OD1-NH2 3.25Å; R656-A658 VanDerWaalsContact C-N 3.34Å; R656-A658 PolarHBondContact O-N 3.22Å; R656-I659 PolarHBondContact O-N 2.8Å; R656-Y660 HydrophobicContact CG-CD1 4.26Å; R656-Y660 HydrophobicContact CG-CD2 3.94Å; R656-Y660 HydrophobicContact CG-CE1 4.02Å; R656-Y660 HydrophobicContact CG-CE2 3.66Å; R656-Y660 HydrophobicContact CG-CG 4.23Å; R656-Y660 WeakPolarHBondContact O-CB 3.44Å; R656-Y660 PolarHBondContact O-N 2.72Å; R656-W775 HydrophobicContact CB-CH2 4.13Å; R656-W775 HydrophobicContact CB-CZ2 3.8Å; R656-W775 HydrophobicContact CG-CZ2 4.09Å |
| 657 | R | 91.4 | Very high | 89.8 | Confident | 137 Ų | 137 | 40.1 Ų | 40.1 | 52% | 0.517 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 176.8 | -77.6 | 175.2 | 64.8 | -152.1 | -1.9 | 111.8 | N653 D654 Q655 S661 | N653-R657 WeakPolarHBondContact O-CB 3.49Å; N653-R657 VanDerWaalsContact O-CG 3.3Å; N653-R657 WeakPolarHBondContact O-CG 3.17Å; N653-R657 PolarHBondContact O-N 3.27Å; D654-R657 PolarHBondContact O-N 3.4Å; D654-R657 IonicContact OD1-NH1 3.48Å; Q655-R657 VanDerWaalsContact C-N 3.29Å; Q655-R657 PolarHBondContact O-N 2.77Å; R657-S661 VanDerWaalsContact O-CB 3.24Å; R657-S661 WeakPolarHBondContact O-CB 3.3Å; R657-S661 PolarHBondContact O-N 3.47Å |
| 658 | A | 92 | Very high | 89.9 | Confident | 38 Ų | 38 | 42.4 Ų | 42.4 | 31% | 0.314 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.3 | -49 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | D654 Q655 R656 S661 Q662 F811 | D654-A658 PolarHBondContact O-N 2.72Å; D654-A658 VanDerWaalsContact O-N 3.16Å; Q655-A658 WeakPolarHBondContact O-CB 3.44Å; Q655-A658 PolarHBondContact O-N 2.8Å; Q655-A658 VanDerWaalsContact O-N 3.08Å; R656-A658 VanDerWaalsContact C-N 3.34Å; R656-A658 PolarHBondContact O-N 3.22Å; A658-S661 PolarHBondContact O-N 3.09Å; A658-Q662 WeakPolarHBondContact O-CG 3.47Å; A658-Q662 PolarHBondContact O-N 2.85Å; A658-F811 HydrophobicContact CB-CZ 4.25Å |
| 659 | I | 92.8 | Very high | 90 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.2 | -48.4 | 179.7 | -64.7 | -66.4 | 0 | 0 | 0 | 111.5 | Q655 R656 S661 Q662 R663 L771 W775 F811 M814 L815 | Q655-I659 WeakPolarHBondContact O-CG1 3.34Å; Q655-I659 PolarHBondContact O-N 2.89Å; R656-I659 PolarHBondContact O-N 2.8Å; I659-S661 VanDerWaalsContact C-N 3.3Å; I659-S661 PolarHBondContact O-N 2.81Å; I659-Q662 PolarHBondContact O-N 3.27Å; I659-R663 WeakPolarHBondContact O-CB 3.45Å; I659-R663 PolarHBondContact O-N 2.86Å; I659-L771 HydrophobicContact CD1-CD1 3.83Å; I659-L771 HydrophobicContact CG2-CD1 4.25Å; I659-L771 HydrophobicContact CG2-CD2 4.47Å; I659-L771 HydrophobicContact CG2-CG 4.39Å; I659-W775 HydrophobicContact CB-CD2 4.42Å; I659-W775 HydrophobicContact CB-CE3 4.46Å; I659-W775 HydrophobicContact CD1-CE3 4.44Å; I659-W775 HydrophobicContact CG1-CD2 4.18Å; I659-W775 HydrophobicContact CG1-CE3 3.75Å; I659-W775 HydrophobicContact CG1-CZ3 3.92Å; I659-W775 HydrophobicContact CG2-CB 4.46Å; I659-W775 HydrophobicContact CG2-CD2 4.07Å; I659-W775 HydrophobicContact CG2-CE3 4.48Å; I659-W775 HydrophobicContact CG2-CG 4.04Å; I659-F811 HydrophobicContact CD1-CE2 3.72Å; I659-F811 HydrophobicContact CD1-CZ 3.91Å; I659-F811 HydrophobicContact CG1-CE2 3.63Å; I659-F811 HydrophobicContact CG1-CZ 3.94Å; I659-M814 HydrophobicContact CD1-CE 3.53Å; I659-M814 HydrophobicContact CG1-CE 4.36Å; I659-L815 HydrophobicContact CD1-CD2 4.13Å |
| 660 | Y | 92.2 | Very high | 89.8 | Confident | 10 Ų | 10 | 47.9 Ų | 47.9 | 4% | 0.039 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.3 | -33.6 | 179.3 | -71.9 | 3.7 | 0 | 0 | 0 | 112.1 | Y186 N190 R656 N664 | Y186-Y660 HydrophobicContact CE1-CD2 4.36Å; Y186-Y660 HydrophobicContact CE1-CE2 4.14Å; N190-Y660 HydrophobicContact CB-CD1 4.13Å; N190-Y660 HydrophobicContact CB-CD2 3.61Å; N190-Y660 HydrophobicContact CB-CE1 4.05Å; N190-Y660 HydrophobicContact CB-CE2 3.53Å; N190-Y660 HydrophobicContact CB-CG 3.94Å; N190-Y660 WeakPolarHBondContact OD1-CB 3.07Å; N190-Y660 WeakPolarHBondContact OD1-CD2 3.41Å; R656-Y660 HydrophobicContact CG-CD1 4.26Å; R656-Y660 HydrophobicContact CG-CD2 3.94Å; R656-Y660 HydrophobicContact CG-CE1 4.02Å; R656-Y660 HydrophobicContact CG-CE2 3.66Å; R656-Y660 HydrophobicContact CG-CG 4.23Å; R656-Y660 WeakPolarHBondContact O-CB 3.44Å; R656-Y660 PolarHBondContact O-N 2.72Å; Y660-N664 WeakPolarHBondContact O-CB 3.44Å; Y660-N664 PolarHBondContact O-N 3.26Å; Y660-N664 PolarHBondContact O-ND2 3.24Å |
| 661 | S | 91.2 | Very high | 89.9 | Confident | 73 Ų | 73 | 49.9 Ų | 49.9 | 51% | 0.51 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.2 | -51.1 | 173.7 | -169.1 | 0 | 0 | 0 | 0 | 111.2 | R657 A658 I659 N664 E665 | R657-S661 VanDerWaalsContact O-CB 3.24Å; R657-S661 WeakPolarHBondContact O-CB 3.3Å; R657-S661 PolarHBondContact O-N 3.47Å; A658-S661 PolarHBondContact O-N 3.09Å; I659-S661 VanDerWaalsContact C-N 3.3Å; I659-S661 PolarHBondContact O-N 2.81Å; S661-N664 PolarHBondContact O-N 3.41Å; S661-E665 WeakPolarHBondContact O-CB 3.46Å; S661-E665 PolarHBondContact O-N 3.39Å |
| 662 | Q | 90.1 | Very high | 89.9 | Confident | 83 Ų | 83 | 49.2 Ų | 49.2 | 39% | 0.388 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 178.7 | -72.1 | 179.9 | -7.8 | 0 | 0 | 111.4 | A658 I659 N664 E665 L666 | A658-Q662 WeakPolarHBondContact O-CG 3.47Å; A658-Q662 PolarHBondContact O-N 2.85Å; I659-Q662 PolarHBondContact O-N 3.27Å; Q662-N664 VanDerWaalsContact C-N 3.34Å; Q662-N664 PolarHBondContact O-N 2.8Å; Q662-E665 PolarHBondContact O-N 3.37Å; Q662-L666 VanDerWaalsContact O-CG 3.31Å; Q662-L666 WeakPolarHBondContact O-CG 3.43Å; Q662-L666 PolarHBondContact O-N 2.75Å |
| 663 | R | 91.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 177.1 | -167.4 | -176.1 | -174.3 | -80 | -2 | 111.7 | N190 M191 A192 I659 L666 L667 L768 L771 D772 | N190-R663 WeakPolarHBondContact O-CD 3.29Å; N190-R663 PolarHBondContact O-NE 2.9Å; N190-R663 PolarHBondContact O-NH1 2.91Å; M191-R663 PolarHBondContact O-NH2 2.97Å; A192-R663 PolarHBondContact O-NH1 3.24Å; A192-R663 PolarHBondContact O-NH2 3.06Å; A192-R663 VanDerWaalsContact O-NH2 3.09Å; I659-R663 WeakPolarHBondContact O-CB 3.45Å; I659-R663 PolarHBondContact O-N 2.86Å; R663-L666 PolarHBondContact O-N 3.13Å; R663-L667 WeakPolarHBondContact O-CB 3.48Å; R663-L667 PolarHBondContact O-N 3.17Å; R663-L768 HydrophobicContact CG-CD2 3.71Å; R663-L771 HydrophobicContact CB-CD2 3.78Å; R663-L771 HydrophobicContact CG-CD2 4.01Å; R663-D772 WeakPolarHBondContact CD-OD1 3.24Å; R663-D772 IonicContact CZ-OD1 3.15Å; R663-D772 IonicContact CZ-OD2 3.32Å; R663-D772 IonicContact NE-OD1 2.71Å; R663-D772 PolarHBondContact NE-OD1 3.34Å; R663-D772 IonicContact NE-OD2 3.41Å; R663-D772 PolarHBondContact NE-OD2 3.26Å; R663-D772 IonicContact NH2-OD1 2.84Å; R663-D772 IonicContact NH2-OD2 3.74Å; R663-D772 PolarHBondContact NH2-OD2 3.28Å |
| 664 | N | 89.7 | Confident | 90.3 | Very high | 39 Ų | 39 | 56.2 Ų | 56.2 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.1 | -37.9 | -179.7 | -71 | -29.9 | 0 | 0 | 0 | 111.8 | N190 R198 Y660 S661 Q662 L667 D668 | N190-N664 PolarHBondContact OD1-ND2 3.04Å; N190-N664 VanDerWaalsContact OD1-ND2 3.08Å; R198-N664 VanDerWaalsContact NH2-CG 3.33Å; R198-N664 PolarHBondContact NH2-OD1 3.48Å; Y660-N664 WeakPolarHBondContact O-CB 3.44Å; Y660-N664 PolarHBondContact O-N 3.26Å; Y660-N664 PolarHBondContact O-ND2 3.24Å; S661-N664 PolarHBondContact O-N 3.41Å; Q662-N664 VanDerWaalsContact C-N 3.34Å; Q662-N664 PolarHBondContact O-N 2.8Å; N664-L667 PolarHBondContact O-N 3Å; N664-D668 WeakPolarHBondContact O-CB 3.32Å; N664-D668 PolarHBondContact O-N 3.15Å |
| 665 | E | 89.7 | Confident | 90.3 | Very high | 125 Ų | 125 | 55.2 Ų | 55.2 | 58% | 0.584 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.9 | -47.2 | 172.7 | -176.9 | 172.1 | -167.3 | 0 | 0 | 111.6 | S661 Q662 L667 D668 V669 | S661-E665 WeakPolarHBondContact O-CB 3.46Å; S661-E665 PolarHBondContact O-N 3.39Å; Q662-E665 PolarHBondContact O-N 3.37Å; E665-L667 VanDerWaalsContact C-N 3.26Å; E665-L667 PolarHBondContact O-N 2.98Å; E665-D668 PolarHBondContact O-N 2.91Å; E665-V669 HydrophobicContact CG-CG2 4.28Å; E665-V669 WeakPolarHBondContact O-CB 3.31Å; E665-V669 WeakPolarHBondContact O-CG2 3.49Å; E665-V669 PolarHBondContact O-N 2.88Å |
| 666 | L | 88.5 | Confident | 90.3 | Very high | 24 Ų | 24 | 54.6 Ų | 54.6 | 13% | 0.126 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.9 | -39.9 | 173.7 | -70.2 | 171.8 | 0 | 0 | 0 | 111.7 | Q662 R663 V672 K764 M767 L768 L771 | Q662-L666 VanDerWaalsContact O-CG 3.31Å; Q662-L666 WeakPolarHBondContact O-CG 3.43Å; Q662-L666 PolarHBondContact O-N 2.75Å; R663-L666 PolarHBondContact O-N 3.13Å; L666-V672 HydrophobicContact CD2-CG1 3.98Å; L666-K764 WeakPolarHBondContact O-CD 3.25Å; L666-K764 WeakPolarHBondContact O-CE 3.09Å; L666-K764 PolarHBondContact O-NZ 3.11Å; L666-M767 HydrophobicContact CD1-CB 4.44Å; L666-M767 HydrophobicContact CD1-CE 4.04Å; L666-M767 HydrophobicContact CD2-CE 3.68Å; L666-M767 HydrophobicContact CD2-SD 3.99Å; L666-L768 HydrophobicContact CB-CD2 4.06Å; L666-L768 HydrophobicContact CD1-CD2 4.42Å; L666-L771 HydrophobicContact CD1-CD2 4.46Å |
| 667 | L | 87.5 | Confident | 90.4 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.5 | -34.9 | 179.8 | -161.3 | 70.6 | 0 | 0 | 0 | 113 | F193 P195 R198 R663 N664 E665 K764 L768 | F193-L667 VanDerWaalsContact O-CD1 3.29Å; F193-L667 WeakPolarHBondContact O-CD1 3.47Å; P195-L667 HydrophobicContact CG-CD2 4.29Å; P195-L667 HydrophobicContact CG-CG 4.03Å; R198-L667 VanDerWaalsContact NH2-CD2 3.26Å; R663-L667 WeakPolarHBondContact O-CB 3.48Å; R663-L667 PolarHBondContact O-N 3.17Å; N664-L667 PolarHBondContact O-N 3Å; E665-L667 VanDerWaalsContact C-N 3.26Å; E665-L667 PolarHBondContact O-N 2.98Å; L667-K764 VanDerWaalsContact C-NZ 3.3Å; L667-K764 PolarHBondContact O-NZ 2.83Å; L667-L768 HydrophobicContact CD1-CD1 3.85Å |
| 668 | D | 87.6 | Confident | 90.6 | Very high | 101 Ų | 101 | 54 Ų | 54 | 54% | 0.54 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -88.3 | -21.4 | -175.7 | -63.3 | -15.1 | 0 | 0 | 0 | 112.7 | R198 N664 E665 | R198-D668 IonicContact CZ-OD1 3.6Å; R198-D668 IonicContact NH1-OD1 2.82Å; R198-D668 PolarHBondContact NH1-OD1 3.18Å; R198-D668 IonicContact NH1-OD2 3.85Å; R198-D668 IonicContact NH2-OD1 3.9Å; N664-D668 WeakPolarHBondContact O-CB 3.32Å; N664-D668 PolarHBondContact O-N 3.15Å; E665-D668 PolarHBondContact O-N 2.91Å |
| 669 | V | 88.1 | Confident | 90.8 | Very high | 60 Ų | 60 | 53.1 Ų | 53.1 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | trans | -85.2 | 143.6 | 178.5 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | E665 D671 K764 | E665-V669 HydrophobicContact CG-CG2 4.28Å; E665-V669 WeakPolarHBondContact O-CB 3.31Å; E665-V669 WeakPolarHBondContact O-CG2 3.49Å; E665-V669 PolarHBondContact O-N 2.88Å; V669-D671 WeakPolarHBondContact CG1-O 3.21Å; V669-K764 PolarHBondContact O-NZ 3.17Å | ||
| 670 | S | 83.3 | Confident | 90.9 | Very high | 107 Ų | 107 | 53.2 Ų | 53.2 | 75% | 0.748 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -90 | -27.8 | 179.1 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 671 | D | 89.8 | Confident | 91.1 | Very high | 80 Ų | 80 | 58 Ų | 58 | 43% | 0.428 | 32% | 0.319 | S | S | . | . | trans | -127.7 | 120.6 | -176.4 | -171.3 | -10.2 | 0 | 0 | 0 | 110.3 | V669 S673 R760 | V669-D671 WeakPolarHBondContact CG1-O 3.21Å; D671-S673 WeakPolarHBondContact OD1-CB 3.35Å; D671-S673 PolarHBondContact OD1-N 2.78Å; D671-S673 PolarHBondContact OD1-OG 2.82Å; D671-S673 PolarHBondContact OD2-OG 2.85Å; D671-R760 WeakPolarHBondContact OD1-CD 3.33Å; D671-R760 IonicContact OD1-NE 2.79Å; D671-R760 PolarHBondContact OD1-NE 3.34Å | ||
| 672 | V | 89.7 | Confident | 91.3 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | trans | -110.1 | 7.5 | -178.8 | -64.2 | 0 | 0 | 0 | 0 | 112.6 | L666 E674 T675 I676 E763 K764 M767 | L666-V672 HydrophobicContact CD2-CG1 3.98Å; V672-E674 PolarHBondContact O-N 3.38Å; V672-T675 WeakPolarHBondContact O-CB 3.15Å; V672-T675 PolarHBondContact O-N 2.99Å; V672-T675 VanDerWaalsContact O-N 3.12Å; V672-I676 HydrophobicContact CG2-CG1 4.2Å; V672-I676 WeakPolarHBondContact O-CG1 3.32Å; V672-I676 PolarHBondContact O-N 3.49Å; V672-E763 HydrophobicContact CG2-CB 3.73Å; V672-K764 HydrophobicContact CG2-CB 4.41Å; V672-M767 HydrophobicContact CB-SD 4.3Å; V672-M767 HydrophobicContact CG2-SD 4.38Å | ||
| 673 | S | 91.8 | Very high | 91.6 | Very high | 17 Ų | 17 | 54.2 Ų | 54.2 | 12% | 0.119 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.1 | -41.5 | -173.1 | 58.8 | 0 | 0 | 0 | 0 | 114 | D671 T675 I676 N677 | D671-S673 WeakPolarHBondContact OD1-CB 3.35Å; D671-S673 PolarHBondContact OD1-N 2.78Å; D671-S673 PolarHBondContact OD1-OG 2.82Å; D671-S673 PolarHBondContact OD2-OG 2.85Å; S673-T675 VanDerWaalsContact C-N 3.32Å; S673-T675 PolarHBondContact O-N 3.28Å; S673-I676 PolarHBondContact O-N 3.38Å; S673-N677 WeakPolarHBondContact O-CB 3.23Å; S673-N677 VanDerWaalsContact O-CG 3.25Å; S673-N677 PolarHBondContact O-N 2.98Å; S673-N677 PolarHBondContact O-ND2 2.83Å; S673-N677 VanDerWaalsContact O-ND2 3.17Å |
| 674 | E | 92 | Very high | 91.9 | Very high | 169 Ų | 169 | 54.1 Ų | 54.1 | 79% | 0.79 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.7 | -44 | 175.6 | -66.7 | -171.2 | 167.4 | 0 | 0 | 111.1 | V672 N677 S678 | V672-E674 PolarHBondContact O-N 3.38Å; E674-N677 PolarHBondContact O-N 2.82Å; E674-S678 PolarHBondContact O-N 2.75Å |
| 675 | T | 92.3 | Very high | 92.1 | Very high | 66 Ų | 66 | 58.5 Ų | 58.5 | 41% | 0.405 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 176 | -54 | 0 | 0 | 0 | 0 | 111 | V672 S673 N677 S678 I679 M767 | V672-T675 WeakPolarHBondContact O-CB 3.15Å; V672-T675 PolarHBondContact O-N 2.99Å; V672-T675 VanDerWaalsContact O-N 3.12Å; S673-T675 VanDerWaalsContact C-N 3.32Å; S673-T675 PolarHBondContact O-N 3.28Å; T675-N677 PolarHBondContact O-N 2.79Å; T675-S678 PolarHBondContact O-N 3.44Å; T675-I679 HydrophobicContact CG2-CD1 3.87Å; T675-I679 HydrophobicContact CG2-CG1 4.47Å; T675-I679 WeakPolarHBondContact O-CB 3.35Å; T675-I679 VanDerWaalsContact O-CG1 3.23Å; T675-I679 WeakPolarHBondContact O-CG1 3.27Å; T675-I679 PolarHBondContact O-N 2.64Å; T675-M767 HydrophobicContact CG2-CE 4.05Å |
| 676 | I | 93.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 177.5 | -69.8 | -62.2 | 0 | 0 | 0 | 111.4 | V672 S673 I679 R680 E763 M767 V822 I823 L826 | V672-I676 HydrophobicContact CG2-CG1 4.2Å; V672-I676 WeakPolarHBondContact O-CG1 3.32Å; V672-I676 PolarHBondContact O-N 3.49Å; S673-I676 PolarHBondContact O-N 3.38Å; I676-I679 PolarHBondContact O-N 2.95Å; I676-R680 VanDerWaalsContact O-CB 3.31Å; I676-R680 WeakPolarHBondContact O-CB 3.34Å; I676-R680 PolarHBondContact O-N 3.07Å; I676-E763 HydrophobicContact CG1-CB 4.37Å; I676-E763 HydrophobicContact CG1-CG 4.38Å; I676-M767 HydrophobicContact CD1-CG 3.86Å; I676-M767 HydrophobicContact CD1-SD 3.5Å; I676-M767 WeakPolarHBondContact CD1-SD 3.45Å; I676-M767 HydrophobicContact CG1-SD 4.18Å; I676-V822 HydrophobicContact CD1-CG1 3.67Å; I676-I823 HydrophobicContact CG2-CD1 4.23Å; I676-L826 HydrophobicContact CD1-CD1 3.75Å; I676-L826 HydrophobicContact CG1-CD1 4.5Å; I676-L826 HydrophobicContact CG2-CD1 4.28Å |
| 677 | N | 94.3 | Very high | 92.6 | Very high | 67 Ų | 67 | 54.5 Ų | 54.5 | 36% | 0.358 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 178.4 | -72.7 | -31.4 | 0 | 0 | 0 | 111.5 | S673 E674 T675 I679 R680 E681 | S673-N677 WeakPolarHBondContact O-CB 3.23Å; S673-N677 VanDerWaalsContact O-CG 3.25Å; S673-N677 PolarHBondContact O-N 2.98Å; S673-N677 PolarHBondContact O-ND2 2.83Å; S673-N677 VanDerWaalsContact O-ND2 3.17Å; E674-N677 PolarHBondContact O-N 2.82Å; T675-N677 PolarHBondContact O-N 2.79Å; N677-I679 PolarHBondContact O-N 2.76Å; N677-R680 WeakPolarHBondContact O-CB 3.32Å; N677-R680 PolarHBondContact O-N 3.31Å; N677-E681 WeakPolarHBondContact O-CG 3.35Å; N677-E681 PolarHBondContact O-N 3.08Å |
| 678 | S | 95 | Very high | 93 | Very high | 66 Ų | 66 | 54.5 Ų | 54.5 | 46% | 0.462 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 173.8 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | E674 T675 R680 E681 D682 | E674-S678 PolarHBondContact O-N 2.75Å; T675-S678 PolarHBondContact O-N 3.44Å; S678-R680 VanDerWaalsContact C-N 3.33Å; S678-E681 PolarHBondContact O-N 3.34Å; S678-D682 PolarHBondContact O-N 2.95Å |
| 679 | I | 95 | Very high | 93.3 | Very high | 20 Ų | 20 | 52 Ų | 52 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 176.2 | -69.3 | 171.7 | 0 | 0 | 0 | 110.6 | T675 I676 N677 D682 V683 M767 K819 I823 | T675-I679 HydrophobicContact CG2-CD1 3.87Å; T675-I679 HydrophobicContact CG2-CG1 4.47Å; T675-I679 WeakPolarHBondContact O-CB 3.35Å; T675-I679 VanDerWaalsContact O-CG1 3.23Å; T675-I679 WeakPolarHBondContact O-CG1 3.27Å; T675-I679 PolarHBondContact O-N 2.64Å; I676-I679 PolarHBondContact O-N 2.95Å; N677-I679 PolarHBondContact O-N 2.76Å; I679-D682 PolarHBondContact O-N 3.17Å; I679-V683 HydrophobicContact CG2-CG2 4.1Å; I679-V683 WeakPolarHBondContact O-CB 3.34Å; I679-V683 VanDerWaalsContact O-CG2 3.27Å; I679-V683 WeakPolarHBondContact O-CG2 3.39Å; I679-V683 PolarHBondContact O-N 3.36Å; I679-M767 HydrophobicContact CD1-CE 3.95Å; I679-K819 HydrophobicContact CG1-CG 4.28Å; I679-K819 HydrophobicContact CG2-CB 3.64Å; I679-K819 HydrophobicContact CG2-CG 3.85Å; I679-I823 HydrophobicContact CB-CD1 4.42Å; I679-I823 HydrophobicContact CG2-CD1 3.99Å; I679-I823 HydrophobicContact CG2-CG1 3.65Å |
| 680 | R | 96.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 1% | 0.011 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 177.4 | -174.4 | -174.2 | -59.9 | -93.6 | -7.2 | 111 | I676 N677 S678 D682 V683 F684 L740 S743 Y747 I823 | I676-R680 VanDerWaalsContact O-CB 3.31Å; I676-R680 WeakPolarHBondContact O-CB 3.34Å; I676-R680 PolarHBondContact O-N 3.07Å; N677-R680 WeakPolarHBondContact O-CB 3.32Å; N677-R680 PolarHBondContact O-N 3.31Å; S678-R680 VanDerWaalsContact C-N 3.33Å; R680-D682 VanDerWaalsContact C-N 3.33Å; R680-D682 PolarHBondContact O-N 3.5Å; R680-V683 PolarHBondContact O-N 2.99Å; R680-F684 HydrophobicContact CG-CD2 3.68Å; R680-F684 HydrophobicContact CG-CE2 3.85Å; R680-F684 WeakPolarHBondContact O-CB 3.36Å; R680-F684 VanDerWaalsContact O-CD2 3.31Å; R680-F684 WeakPolarHBondContact O-CD2 3.45Å; R680-F684 PolarHBondContact O-N 3.26Å; R680-L740 HydrophobicContact CG-CD1 4.25Å; R680-S743 PolarHBondContact NH1-OG 2.94Å; R680-S743 VanDerWaalsContact NH1-OG 3.1Å; R680-Y747 VanDerWaalsContact NH2-CD2 3.25Å; R680-Y747 VanDerWaalsContact NH2-CE1 3.32Å; R680-I823 HydrophobicContact CB-CD1 3.85Å; R680-I823 HydrophobicContact CB-CG1 4.49Å; R680-I823 HydrophobicContact CG-CG2 4.46Å |
| 681 | E | 95.9 | Very high | 94.1 | Very high | 110 Ų | 110 | 50.2 Ų | 50.2 | 51% | 0.514 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57 | -47.4 | 176.7 | -71.9 | -179.4 | -170.2 | 0 | 0 | 111.6 | N677 S678 K685 L740 | N677-E681 WeakPolarHBondContact O-CG 3.35Å; N677-E681 PolarHBondContact O-N 3.08Å; S678-E681 PolarHBondContact O-N 3.34Å; E681-K685 WeakPolarHBondContact O-CB 3.21Å; E681-K685 PolarHBondContact O-N 3.24Å; E681-L740 HydrophobicContact CG-CD1 4.38Å; E681-L740 HydrophobicContact CG-CD2 3.96Å |
| 682 | D | 96 | Very high | 94.2 | Very high | 69 Ų | 69 | 46.4 Ų | 46.4 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.1 | -49.7 | 176.8 | -82.2 | -1.2 | 0 | 0 | 0 | 112.2 | S678 I679 R680 K685 A686 K819 | S678-D682 PolarHBondContact O-N 2.95Å; I679-D682 PolarHBondContact O-N 3.17Å; R680-D682 VanDerWaalsContact C-N 3.33Å; R680-D682 PolarHBondContact O-N 3.5Å; D682-K685 PolarHBondContact O-N 3.49Å; D682-A686 WeakPolarHBondContact O-CB 3.47Å; D682-A686 PolarHBondContact O-N 2.88Å; D682-K819 HydrophobicContact CB-CD 4.43Å; D682-K819 IonicContact OD2-NZ 2.84Å; D682-K819 PolarHBondContact OD2-NZ 3.26Å |
| 683 | V | 96.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.2 | -46.1 | -176.7 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | I679 R680 K685 A686 T687 F714 K819 Y820 I823 | I679-V683 HydrophobicContact CG2-CG2 4.1Å; I679-V683 WeakPolarHBondContact O-CB 3.34Å; I679-V683 VanDerWaalsContact O-CG2 3.27Å; I679-V683 WeakPolarHBondContact O-CG2 3.39Å; I679-V683 PolarHBondContact O-N 3.36Å; R680-V683 PolarHBondContact O-N 2.99Å; V683-K685 VanDerWaalsContact C-N 3.35Å; V683-A686 PolarHBondContact O-N 3.21Å; V683-T687 VanDerWaalsContact O-CB 3.29Å; V683-T687 WeakPolarHBondContact O-CB 3.24Å; V683-T687 PolarHBondContact O-N 3.22Å; V683-T687 PolarHBondContact O-OG1 3.49Å; V683-F714 HydrophobicContact CG1-CE1 3.91Å; V683-F714 HydrophobicContact CG1-CZ 3.72Å; V683-K819 HydrophobicContact CG2-CB 3.79Å; V683-K819 WeakPolarHBondContact CG2-O 3.43Å; V683-Y820 HydrophobicContact CG1-CD2 3.92Å; V683-Y820 HydrophobicContact CG1-CE2 4.38Å; V683-I823 HydrophobicContact CB-CB 4.43Å; V683-I823 HydrophobicContact CB-CG1 4.28Å; V683-I823 HydrophobicContact CG1-CB 4.22Å; V683-I823 HydrophobicContact CG1-CG2 4.26Å; V683-I823 HydrophobicContact CG2-CB 4.36Å; V683-I823 HydrophobicContact CG2-CG1 3.98Å |
| 684 | F | 96.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.3 | -38.8 | 178.7 | -86.8 | -93.3 | 0 | 0 | 0 | 111.2 | R680 T687 I688 L710 F714 L716 I739 L740 S743 I823 | R680-F684 HydrophobicContact CG-CD2 3.68Å; R680-F684 HydrophobicContact CG-CE2 3.85Å; R680-F684 WeakPolarHBondContact O-CB 3.36Å; R680-F684 VanDerWaalsContact O-CD2 3.31Å; R680-F684 WeakPolarHBondContact O-CD2 3.45Å; R680-F684 PolarHBondContact O-N 3.26Å; F684-T687 PolarHBondContact O-N 3.3Å; F684-I688 WeakPolarHBondContact O-CB 3.46Å; F684-I688 WeakPolarHBondContact O-CD1 3.44Å; F684-I688 WeakPolarHBondContact O-CG1 3.35Å; F684-I688 PolarHBondContact O-N 3.19Å; F684-L710 HydrophobicContact CD1-CD2 4.21Å; F684-L710 HydrophobicContact CE1-CD2 3.75Å; F684-F714 HydrophobicContact CE2-CD1 4.33Å; F684-F714 HydrophobicContact CZ-CB 4.22Å; F684-F714 HydrophobicContact CZ-CD1 4.19Å; F684-F714 HydrophobicContact CZ-CD2 4.28Å; F684-F714 AromaticContact CZ-CG 3.95Å; F684-F714 HydrophobicContact CZ-CG 3.95Å; F684-L716 HydrophobicContact CE1-CD1 3.58Å; F684-L716 HydrophobicContact CZ-CD1 3.53Å; F684-I739 HydrophobicContact CD1-CG2 4Å; F684-I739 HydrophobicContact CE1-CG2 4.27Å; F684-L740 HydrophobicContact CB-CD1 4.22Å; F684-L740 HydrophobicContact CG-CD1 4.37Å; F684-S743 WeakPolarHBondContact CE2-OG 3.16Å; F684-S743 VanDerWaalsContact CZ-CB 3.48Å; F684-S743 WeakPolarHBondContact CZ-OG 3.44Å; F684-I823 HydrophobicContact CD2-CG2 4.42Å; F684-I823 HydrophobicContact CE2-CG2 3.85Å |
| 685 | K | 95.3 | Very high | 94.1 | Very high | 130 Ų | 130 | 52.9 Ų | 52.9 | 57% | 0.565 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -58.8 | -51.7 | 173.6 | -178.9 | -177.4 | 176.2 | -175.7 | 0 | 111.5 | E681 D682 V683 T687 I688 D689 | E681-K685 WeakPolarHBondContact O-CB 3.21Å; E681-K685 PolarHBondContact O-N 3.24Å; D682-K685 PolarHBondContact O-N 3.49Å; V683-K685 VanDerWaalsContact C-N 3.35Å; K685-T687 VanDerWaalsContact C-N 3.35Å; K685-T687 PolarHBondContact O-N 3.47Å; K685-I688 PolarHBondContact O-N 2.85Å; K685-D689 WeakPolarHBondContact O-CB 3.41Å; K685-D689 PolarHBondContact O-N 3.34Å |
| 686 | A | 94.6 | Very high | 93.8 | Very high | 55 Ų | 55 | 50.6 Ų | 50.6 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D682 V683 D689 A690 | D682-A686 WeakPolarHBondContact O-CB 3.47Å; D682-A686 PolarHBondContact O-N 2.88Å; V683-A686 PolarHBondContact O-N 3.21Å; A686-D689 PolarHBondContact O-N 2.65Å; A686-A690 PolarHBondContact O-N 2.71Å |
| 687 | T | 94.4 | Very high | 93.5 | Very high | 10 Ų | 10 | 56.2 Ų | 56.2 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 176.2 | -57.9 | 0 | 0 | 0 | 0 | 110.4 | V683 F684 K685 A690 Y691 L706 R709 F714 | V683-T687 VanDerWaalsContact O-CB 3.29Å; V683-T687 WeakPolarHBondContact O-CB 3.24Å; V683-T687 PolarHBondContact O-N 3.22Å; V683-T687 PolarHBondContact O-OG1 3.49Å; F684-T687 PolarHBondContact O-N 3.3Å; K685-T687 VanDerWaalsContact C-N 3.35Å; K685-T687 PolarHBondContact O-N 3.47Å; T687-A690 PolarHBondContact O-N 3.28Å; T687-Y691 VanDerWaalsContact O-CD2 3.29Å; T687-Y691 WeakPolarHBondContact O-CD2 3.38Å; T687-L706 HydrophobicContact CG2-CD1 4.44Å; T687-R709 HydrophobicContact CG2-CG 4.12Å; T687-F714 HydrophobicContact CG2-CE2 4.14Å |
| 688 | I | 94.5 | Very high | 93 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.015 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.3 | -41 | 179.2 | -61.7 | 161.5 | 0 | 0 | 0 | 110.5 | F684 K685 A690 Y691 I692 L706 R736 I739 | F684-I688 WeakPolarHBondContact O-CB 3.46Å; F684-I688 WeakPolarHBondContact O-CD1 3.44Å; F684-I688 WeakPolarHBondContact O-CG1 3.35Å; F684-I688 PolarHBondContact O-N 3.19Å; K685-I688 PolarHBondContact O-N 2.85Å; I688-A690 PolarHBondContact O-N 3.18Å; I688-A690 VanDerWaalsContact O-N 3.16Å; I688-Y691 PolarHBondContact O-N 2.85Å; I688-Y691 VanDerWaalsContact O-N 3.08Å; I688-I692 HydrophobicContact CG2-CB 3.92Å; I688-I692 HydrophobicContact CG2-CD1 4.12Å; I688-I692 HydrophobicContact CG2-CG1 4.31Å; I688-I692 WeakPolarHBondContact O-CA 3.39Å; I688-I692 PolarHBondContact O-N 2.88Å; I688-L706 HydrophobicContact CG1-CD1 4.33Å; I688-R736 HydrophobicContact CD1-CB 4.35Å; I688-R736 HydrophobicContact CD1-CG 4.16Å; I688-R736 HydrophobicContact CG2-CG 3.84Å; I688-I739 HydrophobicContact CD1-CB 4.21Å; I688-I739 HydrophobicContact CD1-CD1 4.13Å; I688-I739 HydrophobicContact CD1-CG2 4.07Å; I688-I739 HydrophobicContact CG1-CD1 4.37Å |
| 689 | D | 94.4 | Very high | 92.6 | Very high | 48 Ų | 48 | 64.8 Ų | 64.8 | 26% | 0.257 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.7 | -31 | 178.4 | -73.9 | -9.8 | 0 | 0 | 0 | 113.2 | K685 A686 I692 R736 | K685-D689 WeakPolarHBondContact O-CB 3.41Å; K685-D689 PolarHBondContact O-N 3.34Å; A686-D689 PolarHBondContact O-N 2.65Å; D689-I692 WeakPolarHBondContact CA-O 3.38Å; D689-R736 IonicContact OD1-CZ 3.23Å; D689-R736 IonicContact OD1-NH1 3.35Å; D689-R736 PolarHBondContact OD1-NH1 3.35Å; D689-R736 IonicContact OD1-NH2 3.15Å; D689-R736 PolarHBondContact OD1-NH2 3.48Å |
| 690 | A | 93.4 | Very high | 92.2 | Very high | 77 Ų | 77 | 69.2 Ų | 69.2 | 64% | 0.636 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -70.3 | -28.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A686 T687 I688 | A686-A690 PolarHBondContact O-N 2.71Å; T687-A690 PolarHBondContact O-N 3.28Å; I688-A690 PolarHBondContact O-N 3.18Å; I688-A690 VanDerWaalsContact O-N 3.16Å |
| 691 | Y | 94.9 | Very high | 92 | Very high | 53 Ų | 53 | 70.7 Ų | 70.7 | 21% | 0.208 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -109.8 | -24.8 | -178.7 | -63.3 | -87.5 | 0 | 0 | 0 | 113.2 | T687 I688 W701 D702 G705 L706 R709 | T687-Y691 VanDerWaalsContact O-CD2 3.29Å; T687-Y691 WeakPolarHBondContact O-CD2 3.38Å; I688-Y691 PolarHBondContact O-N 2.85Å; I688-Y691 VanDerWaalsContact O-N 3.08Å; Y691-W701 WeakPolarHBondContact O-CA 3.32Å; Y691-D702 HydrophobicContact CD1-CB 4.01Å; Y691-D702 PolarHBondContact O-N 3.43Å; Y691-G705 VanDerWaalsContact CE1-C 3.43Å; Y691-L706 HydrophobicContact CD1-CB 4.44Å; Y691-L706 HydrophobicContact CD2-CB 4.32Å; Y691-L706 HydrophobicContact CD2-CD1 3.96Å; Y691-L706 HydrophobicContact CG-CB 3.95Å; Y691-L706 HydrophobicContact CG-CD1 4.37Å; Y691-R709 HydrophobicContact CE2-CB 3.91Å; Y691-R709 HydrophobicContact CE2-CG 3.92Å |
| 692 | I | 93 | Very high | 91.9 | Very high | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -128.1 | 88.7 | 177.8 | -59.1 | -176.4 | 0 | 0 | 0 | 106.3 | I688 D689 W701 I703 L706 E732 L735 R736 | I688-I692 HydrophobicContact CG2-CB 3.92Å; I688-I692 HydrophobicContact CG2-CD1 4.12Å; I688-I692 HydrophobicContact CG2-CG1 4.31Å; I688-I692 WeakPolarHBondContact O-CA 3.39Å; I688-I692 PolarHBondContact O-N 2.88Å; D689-I692 WeakPolarHBondContact CA-O 3.38Å; I692-W701 HydrophobicContact CB-CG 4.48Å; I692-W701 HydrophobicContact CD1-CD2 4.35Å; I692-W701 HydrophobicContact CD1-CE3 4.41Å; I692-W701 HydrophobicContact CG1-CB 4.18Å; I692-W701 HydrophobicContact CG1-CD2 4.34Å; I692-W701 HydrophobicContact CG1-CG 4.06Å; I692-W701 HydrophobicContact CG2-CD2 4.03Å; I692-W701 HydrophobicContact CG2-CG 4.1Å; I692-W701 HydrophobicContact CG2-CZ2 4.24Å; I692-I703 HydrophobicContact CD1-CD1 3.82Å; I692-I703 HydrophobicContact CG1-CD1 4.31Å; I692-L706 HydrophobicContact CD1-CD2 3.66Å; I692-L706 HydrophobicContact CG1-CD2 4.14Å; I692-E732 HydrophobicContact CG2-CG 3.77Å; I692-L735 HydrophobicContact CD1-CD2 3.73Å; I692-R736 PolarHBondContact O-NH2 3.07Å |
| 693 | P | 91.2 | Very high | 91.7 | Very high | 54 Ų | 54 | 66.8 Ų | 66.8 | 35% | 0.351 | 35% | 0.353 | S | S | . | . | trans | -60.1 | 142.8 | -179.6 | -22.2 | 32.4 | 0 | 0 | 0 | 110.7 | Q695 S696 | P693-Q695 PolarHBondContact O-N 3.22Å; P693-S696 WeakPolarHBondContact O-CB 3.46Å; P693-S696 PolarHBondContact O-N 3.25Å; P693-S696 PolarHBondContact O-OG 3.03Å | ||
| 694 | P | 89.4 | Confident | 91.5 | Very high | 78 Ų | 78 | 70.9 Ų | 70.9 | 51% | 0.506 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 137.2 | 178 | -26.9 | 34.4 | 0 | 0 | 0 | 112.8 | S696 E732 | P694-S696 PolarHBondContact O-N 3.46Å; P694-E732 WeakPolarHBondContact CA-OE1 3.3Å |
| 695 | Q | 88.7 | Confident | 91.3 | Very high | 193 Ų | 193 | 71.4 Ų | 71.4 | 90% | 0.902 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 30.2 | 178.2 | -51.7 | 174.9 | 1.5 | 0 | 0 | 113.1 | P693 E732 | P693-Q695 PolarHBondContact O-N 3.22Å; Q695-E732 PolarHBondContact N-OE2 2.92Å |
| 696 | S | 88 | Confident | 91.3 | Very high | 17 Ų | 17 | 65.2 Ų | 65.2 | 12% | 0.119 | 36% | 0.358 | C | S | . | . | trans | -94.9 | 158.1 | 179.9 | 65.4 | 0 | 0 | 0 | 0 | 112.2 | P693 P694 W701 | P693-S696 WeakPolarHBondContact O-CB 3.46Å; P693-S696 PolarHBondContact O-N 3.25Å; P693-S696 PolarHBondContact O-OG 3.03Å; P694-S696 PolarHBondContact O-N 3.46Å; S696-W701 VanDerWaalsContact OG-CD1 3.28Å; S696-W701 PolarHBondContact OG-NE1 3.48Å | ||
| 697 | L | 86.8 | Confident | 91.3 | Very high | 119 Ų | 119 | 64.8 Ų | 64.8 | 62% | 0.623 | 35% | 0.347 | S | S | * | . | trans | -77.9 | 149.2 | 169.8 | -60.8 | 171.4 | 0 | 0 | 0 | 110.1 | E699 M700 W701 | L697-E699 PolarHBondContact O-N 3.39Å; L697-E699 VanDerWaalsContact O-N 3.11Å; L697-M700 HydrophobicContact CB-CE 4.04Å; L697-M700 HydrophobicContact CG-CE 4.27Å; L697-M700 VanDerWaalsContact N-CE 3.25Å; L697-M700 WeakPolarHBondContact O-CB 3.13Å; L697-M700 PolarHBondContact O-N 2.96Å; L697-W701 VanDerWaalsContact O-CD1 3.23Å; L697-W701 PolarHBondContact O-NE1 2.93Å | ||
| 698 | E | 84.1 | Confident | 91.3 | Very high | 125 Ų | 125 | 70 Ų | 70 | 58% | 0.584 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -53.7 | -31.9 | 178.5 | -171.1 | 176.7 | 179.6 | 0 | 0 | 113.4 | M700 W701 | E698-M700 PolarHBondContact O-N 3.43Å; E698-W701 HydrophobicContact CB-CD2 4.33Å; E698-W701 HydrophobicContact CB-CE3 4.31Å; E698-W701 HydrophobicContact CG-CD2 4.3Å; E698-W701 HydrophobicContact CG-CE3 3.86Å; E698-W701 HydrophobicContact CG-CZ3 4.15Å; E698-W701 WeakPolarHBondContact O-CB 3.46Å; E698-W701 PolarHBondContact O-N 3.42Å |
| 699 | E | 85.3 | Confident | 91.1 | Very high | 187 Ų | 187 | 74.5 Ų | 74.5 | 87% | 0.874 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -62.7 | -20 | 175.5 | -62.2 | 179.3 | 176.1 | 0 | 0 | 114 | L697 | L697-E699 PolarHBondContact O-N 3.39Å; L697-E699 VanDerWaalsContact O-N 3.11Å |
| 700 | M | 87.4 | Confident | 91.1 | Very high | 113 Ų | 113 | 72.2 Ų | 72.2 | 56% | 0.557 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -93.5 | -1.5 | 177.2 | -63.3 | -170.7 | -78.4 | 0 | 0 | 112.8 | L697 E698 | L697-M700 HydrophobicContact CB-CE 4.04Å; L697-M700 HydrophobicContact CG-CE 4.27Å; L697-M700 VanDerWaalsContact N-CE 3.25Å; L697-M700 WeakPolarHBondContact O-CB 3.13Å; L697-M700 PolarHBondContact O-N 2.96Å; E698-M700 PolarHBondContact O-N 3.43Å |
| 701 | W | 92.5 | Very high | 91 | Very high | 34 Ų | 34 | 73.2 Ų | 73.2 | 13% | 0.129 | 37% | 0.365 | C | S | . | . | trans | -84.9 | 126 | -176 | -60.8 | -1 | 0 | 0 | 0 | 111 | Y691 I692 S696 L697 E698 I703 L724 E732 L735 | Y691-W701 WeakPolarHBondContact O-CA 3.32Å; I692-W701 HydrophobicContact CB-CG 4.48Å; I692-W701 HydrophobicContact CD1-CD2 4.35Å; I692-W701 HydrophobicContact CD1-CE3 4.41Å; I692-W701 HydrophobicContact CG1-CB 4.18Å; I692-W701 HydrophobicContact CG1-CD2 4.34Å; I692-W701 HydrophobicContact CG1-CG 4.06Å; I692-W701 HydrophobicContact CG2-CD2 4.03Å; I692-W701 HydrophobicContact CG2-CG 4.1Å; I692-W701 HydrophobicContact CG2-CZ2 4.24Å; S696-W701 VanDerWaalsContact OG-CD1 3.28Å; S696-W701 PolarHBondContact OG-NE1 3.48Å; L697-W701 VanDerWaalsContact O-CD1 3.23Å; L697-W701 PolarHBondContact O-NE1 2.93Å; E698-W701 HydrophobicContact CB-CD2 4.33Å; E698-W701 HydrophobicContact CB-CE3 4.31Å; E698-W701 HydrophobicContact CG-CD2 4.3Å; E698-W701 HydrophobicContact CG-CE3 3.86Å; E698-W701 HydrophobicContact CG-CZ3 4.15Å; E698-W701 WeakPolarHBondContact O-CB 3.46Å; E698-W701 PolarHBondContact O-N 3.42Å; W701-I703 HydrophobicContact CB-CD1 3.9Å; W701-I703 HydrophobicContact CB-CG1 4.06Å; W701-I703 HydrophobicContact CE3-CD1 3.98Å; W701-I703 PolarHBondContact O-N 3.45Å; W701-L724 HydrophobicContact CE3-CD1 4.15Å; W701-L724 HydrophobicContact CZ3-CD1 4.16Å; W701-L724 HydrophobicContact CZ3-CD2 3.9Å; W701-E732 HydrophobicContact CH2-CB 4.27Å; W701-E732 HydrophobicContact CZ2-CB 3.92Å; W701-E732 HydrophobicContact CZ2-CG 4.11Å; W701-L735 HydrophobicContact CZ3-CD2 4.15Å | ||
| 702 | D | 93.6 | Very high | 90.7 | Very high | 78 Ų | 78 | 75 Ų | 75 | 42% | 0.417 | 38% | 0.379 | S | S | . | . | trans | -91.6 | 74.3 | 170 | -178.2 | 14.2 | 0 | 0 | 0 | 110.3 | Y691 G705 L706 | Y691-D702 HydrophobicContact CD1-CB 4.01Å; Y691-D702 PolarHBondContact O-N 3.43Å; D702-G705 PolarHBondContact O-N 3.03Å; D702-G705 PolarHBondContact OD1-N 3.4Å; D702-L706 WeakPolarHBondContact O-CB 3.49Å; D702-L706 PolarHBondContact O-N 3.3Å | ||
| 703 | I | 92.6 | Very high | 90.6 | Very high | 19 Ų | 19 | 76.1 Ų | 76.1 | 10% | 0.097 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 179.1 | -57.4 | -57.2 | 0 | 0 | 0 | 112.6 | I692 W701 G705 L706 Q707 I720 A721 L724 | I692-I703 HydrophobicContact CD1-CD1 3.82Å; I692-I703 HydrophobicContact CG1-CD1 4.31Å; W701-I703 HydrophobicContact CB-CD1 3.9Å; W701-I703 HydrophobicContact CB-CG1 4.06Å; W701-I703 HydrophobicContact CE3-CD1 3.98Å; W701-I703 PolarHBondContact O-N 3.45Å; I703-G705 VanDerWaalsContact C-N 3.34Å; I703-G705 PolarHBondContact O-N 3.08Å; I703-L706 PolarHBondContact O-N 3.04Å; I703-Q707 HydrophobicContact CG2-CG 4.32Å; I703-Q707 WeakPolarHBondContact O-CG 3.47Å; I703-Q707 PolarHBondContact O-N 3.3Å; I703-I720 HydrophobicContact CD1-CG2 4.13Å; I703-I720 HydrophobicContact CG2-CB 4.03Å; I703-I720 HydrophobicContact CG2-CG2 3.75Å; I703-A721 HydrophobicContact CG2-CB 4.13Å; I703-L724 HydrophobicContact CD1-CD1 3.77Å; I703-L724 HydrophobicContact CG1-CD1 3.84Å |
| 704 | P | 92.3 | Very high | 90.6 | Very high | 93 Ų | 93 | 73.7 Ų | 73.7 | 60% | 0.604 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.2 | -45.8 | 175.7 | -24.1 | 35.4 | 0 | 0 | 0 | 112.3 | Q707 E708 | P704-Q707 PolarHBondContact O-N 2.94Å; P704-E708 WeakPolarHBondContact O-CB 3.26Å; P704-E708 PolarHBondContact O-N 3.29Å |
| 705 | G | 91.3 | Very high | 90.6 | Very high | 12 Ų | 12 | 73.5 Ų | 73.5 | 12% | 0.124 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y691 D702 I703 E708 R709 | Y691-G705 VanDerWaalsContact CE1-C 3.43Å; D702-G705 PolarHBondContact O-N 3.03Å; D702-G705 PolarHBondContact OD1-N 3.4Å; I703-G705 VanDerWaalsContact C-N 3.34Å; I703-G705 PolarHBondContact O-N 3.08Å; G705-E708 PolarHBondContact O-N 3.03Å; G705-R709 WeakPolarHBondContact O-CB 3.45Å; G705-R709 PolarHBondContact O-N 3.43Å |
| 706 | L | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 175.9 | -179.8 | 59.8 | 0 | 0 | 0 | 111.9 | T687 I688 Y691 I692 D702 I703 E708 R709 L710 I720 I739 | T687-L706 HydrophobicContact CG2-CD1 4.44Å; I688-L706 HydrophobicContact CG1-CD1 4.33Å; Y691-L706 HydrophobicContact CD1-CB 4.44Å; Y691-L706 HydrophobicContact CD2-CB 4.32Å; Y691-L706 HydrophobicContact CD2-CD1 3.96Å; Y691-L706 HydrophobicContact CG-CB 3.95Å; Y691-L706 HydrophobicContact CG-CD1 4.37Å; I692-L706 HydrophobicContact CD1-CD2 3.66Å; I692-L706 HydrophobicContact CG1-CD2 4.14Å; D702-L706 WeakPolarHBondContact O-CB 3.49Å; D702-L706 PolarHBondContact O-N 3.3Å; I703-L706 PolarHBondContact O-N 3.04Å; L706-E708 VanDerWaalsContact C-N 3.34Å; L706-E708 PolarHBondContact O-N 3.13Å; L706-R709 PolarHBondContact O-N 2.7Å; L706-L710 HydrophobicContact CD1-CD1 3.99Å; L706-L710 HydrophobicContact CD1-CG 4.03Å; L706-L710 HydrophobicContact CG-CD1 3.91Å; L706-L710 HydrophobicContact CG-CG 4.37Å; L706-L710 WeakPolarHBondContact O-CB 3.34Å; L706-L710 VanDerWaalsContact O-CG 3.23Å; L706-L710 WeakPolarHBondContact O-CG 3.38Å; L706-L710 PolarHBondContact O-N 2.73Å; L706-I720 HydrophobicContact CD2-CD1 3.89Å; L706-I720 HydrophobicContact CG-CD1 4.06Å; L706-I739 HydrophobicContact CD2-CD1 4.15Å |
| 707 | Q | 95.8 | Very high | 91 | Very high | 46 Ų | 46 | 69.1 Ų | 69.1 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 178.3 | -72.3 | -174.6 | -91.4 | 0 | 0 | 111.6 | I703 P704 L710 K711 L718 I720 | I703-Q707 HydrophobicContact CG2-CG 4.32Å; I703-Q707 WeakPolarHBondContact O-CG 3.47Å; I703-Q707 PolarHBondContact O-N 3.3Å; P704-Q707 PolarHBondContact O-N 2.94Å; Q707-L710 PolarHBondContact O-N 3.26Å; Q707-K711 WeakPolarHBondContact O-CB 3.31Å; Q707-K711 PolarHBondContact O-N 3.25Å; Q707-L718 PolarHBondContact NE2-O 3.25Å; Q707-I720 HydrophobicContact CG-CB 3.8Å; Q707-I720 HydrophobicContact CG-CD1 3.95Å; Q707-I720 HydrophobicContact CG-CG1 4.01Å; Q707-I720 VanDerWaalsContact NE2-N 3.14Å |
| 708 | E | 93.3 | Very high | 91.3 | Very high | 121 Ų | 121 | 64 Ų | 64 | 57% | 0.565 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.7 | -45 | 176.9 | -178.1 | 169.3 | -158.5 | 0 | 0 | 111.6 | P704 G705 L706 K711 N712 | P704-E708 WeakPolarHBondContact O-CB 3.26Å; P704-E708 PolarHBondContact O-N 3.29Å; G705-E708 PolarHBondContact O-N 3.03Å; L706-E708 VanDerWaalsContact C-N 3.34Å; L706-E708 PolarHBondContact O-N 3.13Å; E708-K711 PolarHBondContact O-N 3.15Å; E708-N712 WeakPolarHBondContact CG-ND2 3.44Å; E708-N712 WeakPolarHBondContact O-CB 3.44Å; E708-N712 VanDerWaalsContact O-CG 3.27Å; E708-N712 PolarHBondContact O-N 3.43Å; E708-N712 PolarHBondContact O-ND2 3.18Å |
| 709 | R | 90 | Very high | 91.7 | Very high | 96 Ų | 96 | 60.1 Ų | 60.1 | 36% | 0.362 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 176.5 | -170.5 | 68.2 | 172.3 | -174.7 | 4 | 111.6 | T687 Y691 G705 L706 K711 N712 D713 Y820 | T687-R709 HydrophobicContact CG2-CG 4.12Å; Y691-R709 HydrophobicContact CE2-CB 3.91Å; Y691-R709 HydrophobicContact CE2-CG 3.92Å; G705-R709 WeakPolarHBondContact O-CB 3.45Å; G705-R709 PolarHBondContact O-N 3.43Å; L706-R709 PolarHBondContact O-N 2.7Å; R709-K711 VanDerWaalsContact C-N 3.3Å; R709-K711 PolarHBondContact O-N 3.2Å; R709-N712 PolarHBondContact O-N 2.89Å; R709-D713 WeakPolarHBondContact CD-OD2 3.4Å; R709-D713 IonicContact CZ-OD2 3.05Å; R709-D713 IonicContact NE-OD2 3.69Å; R709-D713 PolarHBondContact NE-OD2 3.28Å; R709-D713 IonicContact NH1-OD2 2.87Å; R709-D713 PolarHBondContact NH1-OD2 3.2Å; R709-D713 IonicContact NH2-OD2 3.79Å; R709-D713 PolarHBondContact NH2-OD2 3.34Å; R709-D713 WeakPolarHBondContact O-CB 3.36Å; R709-D713 PolarHBondContact O-N 3.46Å; R709-Y820 PolarHBondContact NE-OH 3.15Å; R709-Y820 PolarHBondContact NH2-OH 2.82Å |
| 710 | L | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 178.9 | -73.1 | 173.3 | 0 | 0 | 0 | 112.3 | F684 L706 Q707 F714 D715 L716 L718 I720 I739 | F684-L710 HydrophobicContact CD1-CD2 4.21Å; F684-L710 HydrophobicContact CE1-CD2 3.75Å; L706-L710 HydrophobicContact CD1-CD1 3.99Å; L706-L710 HydrophobicContact CD1-CG 4.03Å; L706-L710 HydrophobicContact CG-CD1 3.91Å; L706-L710 HydrophobicContact CG-CG 4.37Å; L706-L710 WeakPolarHBondContact O-CB 3.34Å; L706-L710 VanDerWaalsContact O-CG 3.23Å; L706-L710 WeakPolarHBondContact O-CG 3.38Å; L706-L710 PolarHBondContact O-N 2.73Å; Q707-L710 PolarHBondContact O-N 3.26Å; L710-F714 HydrophobicContact CD2-CD2 4.01Å; L710-F714 CarbonylContact O-C 3.51Å; L710-F714 WeakPolarHBondContact O-CA 3.34Å; L710-F714 WeakPolarHBondContact O-CB 3.24Å; L710-F714 PolarHBondContact O-N 3.32Å; L710-D715 PolarHBondContact O-N 3.42Å; L710-L716 CarbonylContact C-O 3.57Å; L710-L716 HydrophobicContact CB-CB 4.36Å; L710-L716 PolarHBondContact O-N 2.92Å; L710-L716 VanDerWaalsContact O-N 3.12Å; L710-L718 HydrophobicContact CD1-CD1 4.27Å; L710-I720 HydrophobicContact CD1-CD1 3.67Å; L710-I739 HydrophobicContact CD1-CG2 4.04Å; L710-I739 HydrophobicContact CD2-CG2 4.32Å |
| 711 | K | 92.3 | Very high | 92.1 | Very high | 99 Ų | 99 | 47.8 Ų | 47.8 | 43% | 0.43 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.3 | -50.3 | 176.5 | -176.3 | 170.1 | -174.2 | 146 | 0 | 112.2 | Q707 E708 R709 D715 L716 D717 | Q707-K711 WeakPolarHBondContact O-CB 3.31Å; Q707-K711 PolarHBondContact O-N 3.25Å; E708-K711 PolarHBondContact O-N 3.15Å; R709-K711 VanDerWaalsContact C-N 3.3Å; R709-K711 PolarHBondContact O-N 3.2Å; K711-D715 VanDerWaalsContact O-CA 3.27Å; K711-D715 WeakPolarHBondContact O-CA 3.31Å; K711-D715 PolarHBondContact O-N 3.07Å; K711-D715 VanDerWaalsContact O-N 3.1Å; K711-L716 PolarHBondContact N-O 3.14Å; K711-D717 IonicContact NZ-OD2 2.76Å; K711-D717 PolarHBondContact NZ-OD2 2.92Å |
| 712 | N | 89.2 | Confident | 92 | Very high | 91 Ų | 91 | 50.9 Ų | 50.9 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70.5 | -38.2 | -174.1 | -70.9 | -18.9 | 0 | 0 | 0 | 112.4 | E708 R709 K828 | E708-N712 WeakPolarHBondContact CG-ND2 3.44Å; E708-N712 WeakPolarHBondContact O-CB 3.44Å; E708-N712 VanDerWaalsContact O-CG 3.27Å; E708-N712 PolarHBondContact O-N 3.43Å; E708-N712 PolarHBondContact O-ND2 3.18Å; R709-N712 PolarHBondContact O-N 2.89Å; N712-K828 WeakPolarHBondContact O-CE 3.37Å; N712-K828 PolarHBondContact O-NZ 2.73Å |
| 713 | D | 89.4 | Confident | 91.9 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -99.5 | -24.4 | -171.8 | -72.9 | -10.4 | 0 | 0 | 0 | 114.9 | R709 Y820 S824 K828 | R709-D713 WeakPolarHBondContact CD-OD2 3.4Å; R709-D713 IonicContact CZ-OD2 3.05Å; R709-D713 IonicContact NE-OD2 3.69Å; R709-D713 PolarHBondContact NE-OD2 3.28Å; R709-D713 IonicContact NH1-OD2 2.87Å; R709-D713 PolarHBondContact NH1-OD2 3.2Å; R709-D713 IonicContact NH2-OD2 3.79Å; R709-D713 PolarHBondContact NH2-OD2 3.34Å; R709-D713 WeakPolarHBondContact O-CB 3.36Å; R709-D713 PolarHBondContact O-N 3.46Å; D713-Y820 WeakPolarHBondContact CB-OH 3.33Å; D713-Y820 VanDerWaalsContact CG-OH 3.29Å; D713-Y820 PolarHBondContact OD2-OH 3.41Å; D713-S824 WeakPolarHBondContact O-CA 3.48Å; D713-S824 PolarHBondContact O-OG 2.79Å; D713-K828 WeakPolarHBondContact O-CE 3.36Å; D713-K828 IonicContact OD1-NZ 2.84Å; D713-K828 PolarHBondContact OD1-NZ 3.33Å; D713-K828 VanDerWaalsContact OD1-NZ 3.15Å |
| 714 | F | 92.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -124.3 | 3.9 | -179 | -51.7 | -73.6 | 0 | 0 | 0 | 113.9 | V683 F684 T687 L710 L716 Y820 I823 S827 | V683-F714 HydrophobicContact CG1-CE1 3.91Å; V683-F714 HydrophobicContact CG1-CZ 3.72Å; F684-F714 HydrophobicContact CE2-CD1 4.33Å; F684-F714 HydrophobicContact CZ-CB 4.22Å; F684-F714 HydrophobicContact CZ-CD1 4.19Å; F684-F714 HydrophobicContact CZ-CD2 4.28Å; F684-F714 AromaticContact CZ-CG 3.95Å; F684-F714 HydrophobicContact CZ-CG 3.95Å; T687-F714 HydrophobicContact CG2-CE2 4.14Å; L710-F714 HydrophobicContact CD2-CD2 4.01Å; L710-F714 CarbonylContact O-C 3.51Å; L710-F714 WeakPolarHBondContact O-CA 3.34Å; L710-F714 WeakPolarHBondContact O-CB 3.24Å; L710-F714 PolarHBondContact O-N 3.32Å; F714-L716 HydrophobicContact CB-CB 4.47Å; F714-L716 HydrophobicContact CB-CD1 3.91Å; F714-L716 HydrophobicContact CB-CG 4Å; F714-L716 PolarHBondContact O-N 3.36Å; F714-Y820 HydrophobicContact CE2-CE2 4.41Å; F714-Y820 HydrophobicContact CZ-CD2 4.38Å; F714-Y820 AromaticContact CZ-CE2 3.7Å; F714-Y820 HydrophobicContact CZ-CE2 3.7Å; F714-Y820 AromaticContact CZ-CZ 3.99Å; F714-I823 HydrophobicContact CD1-CG2 3.94Å; F714-I823 HydrophobicContact CE1-CB 4.3Å; F714-I823 HydrophobicContact CE1-CG2 3.76Å; F714-S827 VanDerWaalsContact O-CB 3.28Å; F714-S827 WeakPolarHBondContact O-CB 3.34Å |
| 715 | D | 89.9 | Confident | 91.5 | Very high | 74 Ų | 74 | 50.6 Ų | 50.6 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | trans | 53.6 | 34.5 | -174.5 | -160.3 | 27.9 | 0 | 0 | 0 | 112 | L710 K711 Q830 | L710-D715 PolarHBondContact O-N 3.42Å; K711-D715 VanDerWaalsContact O-CA 3.27Å; K711-D715 WeakPolarHBondContact O-CA 3.31Å; K711-D715 PolarHBondContact O-N 3.07Å; K711-D715 VanDerWaalsContact O-N 3.1Å; D715-Q830 PolarHBondContact OD2-NE2 2.63Å | ||
| 716 | L | 92.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | trans | -106.3 | 96.9 | -179.4 | -71.1 | 176.7 | 0 | 0 | 0 | 110.7 | F684 L710 K711 F714 L718 V746 | F684-L716 HydrophobicContact CE1-CD1 3.58Å; F684-L716 HydrophobicContact CZ-CD1 3.53Å; L710-L716 CarbonylContact C-O 3.57Å; L710-L716 HydrophobicContact CB-CB 4.36Å; L710-L716 PolarHBondContact O-N 2.92Å; L710-L716 VanDerWaalsContact O-N 3.12Å; K711-L716 PolarHBondContact N-O 3.14Å; F714-L716 HydrophobicContact CB-CB 4.47Å; F714-L716 HydrophobicContact CB-CD1 3.91Å; F714-L716 HydrophobicContact CB-CG 4Å; F714-L716 PolarHBondContact O-N 3.36Å; L716-L718 HydrophobicContact CB-CG 4.23Å; L716-L718 PolarHBondContact O-N 2.85Å; L716-L718 VanDerWaalsContact O-N 3.12Å; L716-V746 HydrophobicContact CD2-CB 4.11Å; L716-V746 HydrophobicContact CD2-CG1 4.23Å; L716-V746 HydrophobicContact CD2-CG2 3.94Å | ||
| 717 | D | 92.2 | Very high | 91.2 | Very high | 113 Ų | 113 | 60.5 Ų | 60.5 | 60% | 0.604 | 30% | 0.3 | S | S | * | . | trans | -82.1 | 85.2 | 173.3 | -155.7 | -19 | 0 | 0 | 0 | 110.4 | K711 | K711-D717 IonicContact NZ-OD2 2.76Å; K711-D717 PolarHBondContact NZ-OD2 2.92Å | ||
| 718 | L | 92.7 | Very high | 90.4 | Very high | 12 Ų | 12 | 63.8 Ų | 63.8 | 6% | 0.063 | 33% | 0.325 | C | S | . | . | trans | -104.4 | 122.1 | 179.7 | -57.4 | -175.4 | 0 | 0 | 0 | 110.3 | Q707 L710 L716 I720 W723 I739 Q742 | Q707-L718 PolarHBondContact NE2-O 3.25Å; L710-L718 HydrophobicContact CD1-CD1 4.27Å; L716-L718 HydrophobicContact CB-CG 4.23Å; L716-L718 PolarHBondContact O-N 2.85Å; L716-L718 VanDerWaalsContact O-N 3.12Å; L718-I720 HydrophobicContact CB-CD1 4.49Å; L718-I720 HydrophobicContact CB-CG1 4.03Å; L718-I720 PolarHBondContact O-N 3.14Å; L718-W723 HydrophobicContact CB-CH2 3.86Å; L718-W723 HydrophobicContact CB-CZ2 4.34Å; L718-W723 HydrophobicContact CB-CZ3 4.35Å; L718-W723 HydrophobicContact CD1-CH2 4.03Å; L718-W723 HydrophobicContact CD1-CZ3 4.43Å; L718-W723 HydrophobicContact CD2-CH2 3.94Å; L718-W723 HydrophobicContact CD2-CZ2 4.34Å; L718-W723 HydrophobicContact CG-CH2 4.15Å; L718-I739 HydrophobicContact CD1-CB 4.38Å; L718-I739 HydrophobicContact CD1-CG1 4.25Å; L718-I739 HydrophobicContact CD1-CG2 4.03Å; L718-Q742 HydrophobicContact CD1-CB 4.34Å; L718-Q742 HydrophobicContact CD2-CB 3.96Å; L718-Q742 HydrophobicContact CD2-CG 4.23Å | ||
| 719 | P | 92.9 | Very high | 89.8 | Confident | 44 Ų | 44 | 66 Ų | 66 | 29% | 0.286 | 34% | 0.335 | S | S | . | . | trans | -81.5 | 62.3 | 179.3 | 34 | -35.2 | 0 | 0 | 0 | 111.3 | A721 E722 W723 | P719-A721 VanDerWaalsContact C-N 3.35Å; P719-A721 PolarHBondContact O-N 3.16Å; P719-E722 HydrophobicContact CB-CB 4.14Å; P719-E722 HydrophobicContact CB-CG 4.08Å; P719-E722 WeakPolarHBondContact O-CB 3.19Å; P719-E722 PolarHBondContact O-N 2.69Å; P719-W723 PolarHBondContact O-N 2.96Å | ||
| 720 | I | 91.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.3 | -43.8 | -174.4 | -61.4 | 172.5 | 0 | 0 | 0 | 111.8 | I703 L706 Q707 L710 L718 E722 W723 L724 L735 I739 | I703-I720 HydrophobicContact CD1-CG2 4.13Å; I703-I720 HydrophobicContact CG2-CB 4.03Å; I703-I720 HydrophobicContact CG2-CG2 3.75Å; L706-I720 HydrophobicContact CD2-CD1 3.89Å; L706-I720 HydrophobicContact CG-CD1 4.06Å; Q707-I720 HydrophobicContact CG-CB 3.8Å; Q707-I720 HydrophobicContact CG-CD1 3.95Å; Q707-I720 HydrophobicContact CG-CG1 4.01Å; Q707-I720 VanDerWaalsContact NE2-N 3.14Å; L710-I720 HydrophobicContact CD1-CD1 3.67Å; L718-I720 HydrophobicContact CB-CD1 4.49Å; L718-I720 HydrophobicContact CB-CG1 4.03Å; L718-I720 PolarHBondContact O-N 3.14Å; I720-E722 VanDerWaalsContact C-N 3.27Å; I720-E722 PolarHBondContact O-N 3.4Å; I720-W723 HydrophobicContact CG1-CE3 4.11Å; I720-W723 HydrophobicContact CG1-CZ3 4.09Å; I720-W723 WeakPolarHBondContact O-CB 3.18Å; I720-W723 PolarHBondContact O-N 3.36Å; I720-L724 HydrophobicContact CG2-CD1 4.1Å; I720-L724 HydrophobicContact CG2-CG 4.49Å; I720-L724 PolarHBondContact O-N 3.13Å; I720-L735 HydrophobicContact CG2-CD1 3.9Å; I720-L735 HydrophobicContact CG2-CD2 4.24Å; I720-I739 HydrophobicContact CD1-CD1 3.78Å; I720-I739 HydrophobicContact CD1-CG1 4.21Å |
| 721 | A | 89.2 | Confident | 89.2 | Confident | 40 Ų | 40 | 68.4 Ų | 68.4 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.9 | -41.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I703 P719 W723 L724 D725 | I703-A721 HydrophobicContact CG2-CB 4.13Å; P719-A721 VanDerWaalsContact C-N 3.35Å; P719-A721 PolarHBondContact O-N 3.16Å; A721-W723 VanDerWaalsContact C-N 3.33Å; A721-W723 PolarHBondContact O-N 3.49Å; A721-L724 PolarHBondContact O-N 2.98Å; A721-D725 WeakPolarHBondContact O-CB 3.06Å; A721-D725 PolarHBondContact O-N 2.79Å |
| 722 | E | 90.7 | Very high | 89 | Confident | 100 Ų | 100 | 65.3 Ų | 65.3 | 47% | 0.467 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.9 | -31.5 | 176.5 | -60.5 | -168.7 | -170.4 | 0 | 0 | 113.1 | P719 I720 K726 | P719-E722 HydrophobicContact CB-CB 4.14Å; P719-E722 HydrophobicContact CB-CG 4.08Å; P719-E722 WeakPolarHBondContact O-CB 3.19Å; P719-E722 PolarHBondContact O-N 2.69Å; I720-E722 VanDerWaalsContact C-N 3.27Å; I720-E722 PolarHBondContact O-N 3.4Å; E722-K726 VanDerWaalsContact O-CB 3.31Å; E722-K726 WeakPolarHBondContact O-CB 3.43Å; E722-K726 WeakPolarHBondContact O-CD 3.39Å; E722-K726 VanDerWaalsContact O-CG 3.24Å; E722-K726 WeakPolarHBondContact O-CG 3.42Å; E722-K726 PolarHBondContact O-N 2.92Å; E722-K726 VanDerWaalsContact O-N 3.09Å; E722-K726 IonicContact OE2-NZ 3.05Å; E722-K726 PolarHBondContact OE2-NZ 3.23Å |
| 723 | W | 91.9 | Very high | 88.9 | Confident | 26 Ų | 26 | 68.1 Ų | 68.1 | 10% | 0.098 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 175.4 | -63.4 | -15 | 0 | 0 | 0 | 110.6 | L718 P719 I720 A721 K726 E727 L730 L735 R738 I739 Q742 | L718-W723 HydrophobicContact CB-CH2 3.86Å; L718-W723 HydrophobicContact CB-CZ2 4.34Å; L718-W723 HydrophobicContact CB-CZ3 4.35Å; L718-W723 HydrophobicContact CD1-CH2 4.03Å; L718-W723 HydrophobicContact CD1-CZ3 4.43Å; L718-W723 HydrophobicContact CD2-CH2 3.94Å; L718-W723 HydrophobicContact CD2-CZ2 4.34Å; L718-W723 HydrophobicContact CG-CH2 4.15Å; P719-W723 PolarHBondContact O-N 2.96Å; I720-W723 HydrophobicContact CG1-CE3 4.11Å; I720-W723 HydrophobicContact CG1-CZ3 4.09Å; I720-W723 WeakPolarHBondContact O-CB 3.18Å; I720-W723 PolarHBondContact O-N 3.36Å; A721-W723 VanDerWaalsContact C-N 3.33Å; A721-W723 PolarHBondContact O-N 3.49Å; W723-K726 PolarHBondContact O-N 3.05Å; W723-E727 VanDerWaalsContact O-CB 3.3Å; W723-E727 WeakPolarHBondContact O-CB 3.46Å; W723-E727 PolarHBondContact O-N 2.82Å; W723-L730 HydrophobicContact CB-CD2 3.88Å; W723-L735 HydrophobicContact CE3-CD1 4.08Å; W723-R738 HydrophobicContact CE3-CG 4.47Å; W723-R738 HydrophobicContact CH2-CG 4.26Å; W723-R738 HydrophobicContact CZ3-CG 4.03Å; W723-I739 HydrophobicContact CZ3-CG1 4.25Å; W723-Q742 HydrophobicContact CH2-CG 4.19Å |
| 724 | L | 88.2 | Confident | 88.9 | Confident | 19 Ų | 19 | 69.9 Ų | 69.9 | 10% | 0.099 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 178.1 | -67.5 | 170.7 | 0 | 0 | 0 | 112 | W701 I703 I720 A721 K726 L730 L735 | W701-L724 HydrophobicContact CE3-CD1 4.15Å; W701-L724 HydrophobicContact CZ3-CD1 4.16Å; W701-L724 HydrophobicContact CZ3-CD2 3.9Å; I703-L724 HydrophobicContact CD1-CD1 3.77Å; I703-L724 HydrophobicContact CG1-CD1 3.84Å; I720-L724 HydrophobicContact CG2-CD1 4.1Å; I720-L724 HydrophobicContact CG2-CG 4.49Å; I720-L724 PolarHBondContact O-N 3.13Å; A721-L724 PolarHBondContact O-N 2.98Å; L724-K726 PolarHBondContact O-N 2.75Å; L724-L730 HydrophobicContact CD2-CB 4.47Å; L724-L730 HydrophobicContact CD2-CD2 4.15Å; L724-L730 HydrophobicContact CD2-CG 4.5Å; L724-L735 HydrophobicContact CD2-CD2 4.36Å |
| 725 | D | 88.3 | Confident | 88.9 | Confident | 138 Ų | 138 | 69.8 Ų | 69.8 | 74% | 0.738 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.3 | -37.4 | 176.4 | -78.1 | -16.7 | 0 | 0 | 0 | 113.1 | A721 | A721-D725 WeakPolarHBondContact O-CB 3.06Å; A721-D725 PolarHBondContact O-N 2.79Å |
| 726 | K | 89.8 | Confident | 89.1 | Confident | 144 Ų | 144 | 68.1 Ų | 68.1 | 63% | 0.626 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -89.2 | -25.1 | -175.4 | -70.5 | 169 | -175.7 | 160.2 | 0 | 113.1 | E722 W723 L724 | E722-K726 VanDerWaalsContact O-CB 3.31Å; E722-K726 WeakPolarHBondContact O-CB 3.43Å; E722-K726 WeakPolarHBondContact O-CD 3.39Å; E722-K726 VanDerWaalsContact O-CG 3.24Å; E722-K726 WeakPolarHBondContact O-CG 3.42Å; E722-K726 PolarHBondContact O-N 2.92Å; E722-K726 VanDerWaalsContact O-N 3.09Å; E722-K726 IonicContact OE2-NZ 3.05Å; E722-K726 PolarHBondContact OE2-NZ 3.23Å; W723-K726 PolarHBondContact O-N 3.05Å; L724-K726 PolarHBondContact O-N 2.75Å |
| 727 | E | 88.9 | Confident | 89.1 | Confident | 77 Ų | 77 | 74.1 Ų | 74.1 | 36% | 0.36 | 38% | 0.375 | S | S | . | . | trans | -128.6 | 80.1 | -171.5 | -58.1 | 175.1 | -142.7 | 0 | 0 | 110.6 | W723 E729 L730 R738 | W723-E727 VanDerWaalsContact O-CB 3.3Å; W723-E727 WeakPolarHBondContact O-CB 3.46Å; W723-E727 PolarHBondContact O-N 2.82Å; E727-E729 PolarHBondContact O-N 3.17Å; E727-L730 HydrophobicContact CB-CB 4.14Å; E727-L730 WeakPolarHBondContact O-CB 3.42Å; E727-L730 PolarHBondContact O-N 2.66Å; E727-R738 IonicContact OE1-CZ 3.84Å; E727-R738 IonicContact OE1-NH1 3.88Å; E727-R738 PolarHBondContact OE1-NH1 3.31Å; E727-R738 IonicContact OE1-NH2 2.66Å; E727-R738 PolarHBondContact OE1-NH2 2.9Å; E727-R738 IonicContact OE2-NH1 2.67Å; E727-R738 PolarHBondContact OE2-NH1 2.83Å | ||
| 728 | P | 79.8 | Confident | 89.2 | Confident | 114 Ų | 114 | 72.4 Ų | 72.4 | 74% | 0.74 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -15.1 | -177.9 | -21.2 | 32.3 | 0 | 0 | 0 | 114.8 | L730 | P728-L730 VanDerWaalsContact C-N 3.31Š|
| 729 | E | 81.4 | Confident | 89.3 | Confident | 169 Ų | 169 | 71.8 Ų | 71.8 | 79% | 0.79 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -2.8 | 175.9 | -59.8 | -173.6 | 174.9 | 0 | 0 | 112.5 | E727 H731 | E727-E729 PolarHBondContact O-N 3.17Å; E729-H731 PolarHBondContact O-N 2.87Å |
| 730 | L | 84.7 | Confident | 89.3 | Confident | 19 Ų | 19 | 71.6 Ų | 71.6 | 10% | 0.099 | 35% | 0.353 | C | S | . | . | trans | -74.4 | 93.7 | 177.3 | -170.4 | 69.3 | 0 | 0 | 0 | 109.8 | W723 L724 E727 P728 L735 | W723-L730 HydrophobicContact CB-CD2 3.88Å; L724-L730 HydrophobicContact CD2-CB 4.47Å; L724-L730 HydrophobicContact CD2-CD2 4.15Å; L724-L730 HydrophobicContact CD2-CG 4.5Å; E727-L730 HydrophobicContact CB-CB 4.14Å; E727-L730 WeakPolarHBondContact O-CB 3.42Å; E727-L730 PolarHBondContact O-N 2.66Å; P728-L730 VanDerWaalsContact C-N 3.31Å; L730-L735 HydrophobicContact CD2-CB 4.37Å; L730-L735 HydrophobicContact CD2-CD1 3.8Å; L730-L735 HydrophobicContact CG-CB 4.14Å; L730-L735 HydrophobicContact CG-CD1 4.49Å | ||
| 731 | H | 86.1 | Confident | 89.5 | Confident | 127 Ų | 127 | 74 Ų | 74 | 59% | 0.588 | 37% | 0.373 | S | S | * | . | trans | -84.5 | 166.7 | 178 | -57.9 | -37.5 | 0 | 0 | 0 | 112 | E729 E733 T734 L735 | E729-H731 PolarHBondContact O-N 2.87Å; H731-E733 VanDerWaalsContact C-N 3.3Å; H731-E733 PolarHBondContact O-N 2.9Å; H731-T734 PolarHBondContact N-OG1 3.12Å; H731-T734 PolarHBondContact O-N 2.89Å; H731-T734 VanDerWaalsContact O-N 3.1Å; H731-T734 PolarHBondContact O-OG1 3.38Å; H731-L735 WeakPolarHBondContact O-CB 3.46Å; H731-L735 PolarHBondContact O-N 3.29Å | ||
| 732 | E | 87.7 | Confident | 89.8 | Confident | 33 Ų | 33 | 74.9 Ų | 74.9 | 15% | 0.154 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -45.2 | -50.7 | -177.7 | -164.2 | -159.6 | 143.8 | 0 | 0 | 113 | I692 P694 Q695 W701 L735 R736 | I692-E732 HydrophobicContact CG2-CG 3.77Å; P694-E732 WeakPolarHBondContact CA-OE1 3.3Å; Q695-E732 PolarHBondContact N-OE2 2.92Å; W701-E732 HydrophobicContact CH2-CB 4.27Å; W701-E732 HydrophobicContact CZ2-CB 3.92Å; W701-E732 HydrophobicContact CZ2-CG 4.11Å; E732-L735 PolarHBondContact O-N 3.42Å; E732-R736 WeakPolarHBondContact O-CD 3.43Å; E732-R736 VanDerWaalsContact O-CG 3.25Å; E732-R736 WeakPolarHBondContact O-CG 3.42Å; E732-R736 PolarHBondContact O-N 3.36Å; E732-R736 IonicContact OE1-CZ 3.59Å; E732-R736 VanDerWaalsContact OE1-CZ 3.25Å; E732-R736 IonicContact OE1-NE 3.57Å; E732-R736 PolarHBondContact OE1-NE 3.3Å; E732-R736 IonicContact OE1-NH2 3.67Å; E732-R736 PolarHBondContact OE1-NH2 2.86Å |
| 733 | E | 87.8 | Confident | 89.9 | Confident | 151 Ų | 151 | 70.2 Ų | 70.2 | 71% | 0.706 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.9 | -49.3 | -178.6 | -65.2 | -177.5 | 165.1 | 0 | 0 | 111.8 | H731 L735 R736 E737 | H731-E733 VanDerWaalsContact C-N 3.3Å; H731-E733 PolarHBondContact O-N 2.9Å; E733-L735 VanDerWaalsContact C-N 3.34Å; E733-L735 PolarHBondContact O-N 3.42Å; E733-R736 WeakPolarHBondContact O-CB 3.39Å; E733-R736 PolarHBondContact O-N 2.9Å; E733-E737 WeakPolarHBondContact O-CG 3.43Å; E733-E737 PolarHBondContact O-N 3.01Å |
| 734 | T | 90.2 | Very high | 90.1 | Very high | 60 Ų | 60 | 71.3 Ų | 71.3 | 37% | 0.368 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.8 | -30.8 | 179.5 | 48.7 | 0 | 0 | 0 | 0 | 113.2 | H731 R738 | H731-T734 PolarHBondContact N-OG1 3.12Å; H731-T734 PolarHBondContact O-N 2.89Å; H731-T734 VanDerWaalsContact O-N 3.1Å; H731-T734 PolarHBondContact O-OG1 3.38Å; T734-R738 WeakPolarHBondContact O-CB 3.17Å; T734-R738 PolarHBondContact O-N 2.77Å |
| 735 | L | 91.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.2 | -46.1 | 173.9 | 176 | 61.8 | 0 | 0 | 0 | 110.4 | I692 W701 I720 W723 L724 L730 H731 E732 E733 R738 I739 | I692-L735 HydrophobicContact CD1-CD2 3.73Å; W701-L735 HydrophobicContact CZ3-CD2 4.15Å; I720-L735 HydrophobicContact CG2-CD1 3.9Å; I720-L735 HydrophobicContact CG2-CD2 4.24Å; W723-L735 HydrophobicContact CE3-CD1 4.08Å; L724-L735 HydrophobicContact CD2-CD2 4.36Å; L730-L735 HydrophobicContact CD2-CB 4.37Å; L730-L735 HydrophobicContact CD2-CD1 3.8Å; L730-L735 HydrophobicContact CG-CB 4.14Å; L730-L735 HydrophobicContact CG-CD1 4.49Å; H731-L735 WeakPolarHBondContact O-CB 3.46Å; H731-L735 PolarHBondContact O-N 3.29Å; E732-L735 PolarHBondContact O-N 3.42Å; E733-L735 VanDerWaalsContact C-N 3.34Å; E733-L735 PolarHBondContact O-N 3.42Å; L735-R738 PolarHBondContact O-N 3.38Å; L735-I739 HydrophobicContact CD1-CD1 4.06Å; L735-I739 HydrophobicContact CD1-CG1 4.31Å; L735-I739 HydrophobicContact CG-CD1 4.01Å; L735-I739 WeakPolarHBondContact O-CG1 3.46Å; L735-I739 PolarHBondContact O-N 2.93Å |
| 736 | R | 92.9 | Very high | 90.5 | Very high | 39 Ų | 39 | 69.5 Ų | 69.5 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.9 | -48.6 | 176.5 | -72.8 | 164.7 | 176.2 | -80.6 | 7.2 | 111.7 | I688 D689 I692 E732 E733 R738 I739 L740 | I688-R736 HydrophobicContact CD1-CB 4.35Å; I688-R736 HydrophobicContact CD1-CG 4.16Å; I688-R736 HydrophobicContact CG2-CG 3.84Å; D689-R736 IonicContact OD1-CZ 3.23Å; D689-R736 IonicContact OD1-NH1 3.35Å; D689-R736 PolarHBondContact OD1-NH1 3.35Å; D689-R736 IonicContact OD1-NH2 3.15Å; D689-R736 PolarHBondContact OD1-NH2 3.48Å; I692-R736 PolarHBondContact O-NH2 3.07Å; E732-R736 WeakPolarHBondContact O-CD 3.43Å; E732-R736 VanDerWaalsContact O-CG 3.25Å; E732-R736 WeakPolarHBondContact O-CG 3.42Å; E732-R736 PolarHBondContact O-N 3.36Å; E732-R736 IonicContact OE1-CZ 3.59Å; E732-R736 VanDerWaalsContact OE1-CZ 3.25Å; E732-R736 IonicContact OE1-NE 3.57Å; E732-R736 PolarHBondContact OE1-NE 3.3Å; E732-R736 IonicContact OE1-NH2 3.67Å; E732-R736 PolarHBondContact OE1-NH2 2.86Å; E733-R736 WeakPolarHBondContact O-CB 3.39Å; E733-R736 PolarHBondContact O-N 2.9Å; R736-R738 VanDerWaalsContact C-N 3.3Å; R736-R738 PolarHBondContact O-N 2.99Å; R736-I739 PolarHBondContact O-N 2.94Å; R736-L740 PolarHBondContact O-N 2.72Å |
| 737 | E | 93.1 | Very high | 90.5 | Very high | 131 Ų | 131 | 63 Ų | 63 | 61% | 0.612 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.3 | -42.8 | 176.7 | -73.4 | 178.2 | 176.5 | 0 | 0 | 111.6 | E733 L740 A741 | E733-E737 WeakPolarHBondContact O-CG 3.43Å; E733-E737 PolarHBondContact O-N 3.01Å; E737-L740 PolarHBondContact O-N 3.34Å; E737-A741 VanDerWaalsContact O-CB 3.24Å; E737-A741 WeakPolarHBondContact O-CB 3.41Å; E737-A741 PolarHBondContact O-N 2.95Å |
| 738 | R | 94.5 | Very high | 90.6 | Very high | 76 Ų | 76 | 64.5 Ų | 64.5 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 179.2 | -173.6 | 174.2 | -179.1 | 165.1 | -2.8 | 112.6 | W723 E727 T734 L735 R736 A741 Q742 | W723-R738 HydrophobicContact CE3-CG 4.47Å; W723-R738 HydrophobicContact CH2-CG 4.26Å; W723-R738 HydrophobicContact CZ3-CG 4.03Å; E727-R738 IonicContact OE1-CZ 3.84Å; E727-R738 IonicContact OE1-NH1 3.88Å; E727-R738 PolarHBondContact OE1-NH1 3.31Å; E727-R738 IonicContact OE1-NH2 2.66Å; E727-R738 PolarHBondContact OE1-NH2 2.9Å; E727-R738 IonicContact OE2-NH1 2.67Å; E727-R738 PolarHBondContact OE2-NH1 2.83Å; T734-R738 WeakPolarHBondContact O-CB 3.17Å; T734-R738 PolarHBondContact O-N 2.77Å; L735-R738 PolarHBondContact O-N 3.38Å; R736-R738 VanDerWaalsContact C-N 3.3Å; R736-R738 PolarHBondContact O-N 2.99Å; R738-A741 PolarHBondContact O-N 3.05Å; R738-Q742 WeakPolarHBondContact O-CG 3.44Å; R738-Q742 PolarHBondContact O-N 3.26Å |
| 739 | I | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.4 | -48 | 177.3 | -68 | 166 | 0 | 0 | 0 | 110.2 | F684 I688 L706 L710 L718 I720 W723 L735 R736 Q742 S743 | F684-I739 HydrophobicContact CD1-CG2 4Å; F684-I739 HydrophobicContact CE1-CG2 4.27Å; I688-I739 HydrophobicContact CD1-CB 4.21Å; I688-I739 HydrophobicContact CD1-CD1 4.13Å; I688-I739 HydrophobicContact CD1-CG2 4.07Å; I688-I739 HydrophobicContact CG1-CD1 4.37Å; L706-I739 HydrophobicContact CD2-CD1 4.15Å; L710-I739 HydrophobicContact CD1-CG2 4.04Å; L710-I739 HydrophobicContact CD2-CG2 4.32Å; L718-I739 HydrophobicContact CD1-CB 4.38Å; L718-I739 HydrophobicContact CD1-CG1 4.25Å; L718-I739 HydrophobicContact CD1-CG2 4.03Å; I720-I739 HydrophobicContact CD1-CD1 3.78Å; I720-I739 HydrophobicContact CD1-CG1 4.21Å; W723-I739 HydrophobicContact CZ3-CG1 4.25Å; L735-I739 HydrophobicContact CD1-CD1 4.06Å; L735-I739 HydrophobicContact CD1-CG1 4.31Å; L735-I739 HydrophobicContact CG-CD1 4.01Å; L735-I739 WeakPolarHBondContact O-CG1 3.46Å; L735-I739 PolarHBondContact O-N 2.93Å; R736-I739 PolarHBondContact O-N 2.94Å; I739-Q742 PolarHBondContact O-N 2.56Å; I739-S743 PolarHBondContact O-N 2.78Å |
| 740 | L | 94.4 | Very high | 91.4 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 20% | 0.204 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 178.2 | 177.9 | 63.5 | 0 | 0 | 0 | 111.6 | R680 E681 F684 R736 E737 Q742 S743 I744 | R680-L740 HydrophobicContact CG-CD1 4.25Å; E681-L740 HydrophobicContact CG-CD1 4.38Å; E681-L740 HydrophobicContact CG-CD2 3.96Å; F684-L740 HydrophobicContact CB-CD1 4.22Å; F684-L740 HydrophobicContact CG-CD1 4.37Å; R736-L740 PolarHBondContact O-N 2.72Å; E737-L740 PolarHBondContact O-N 3.34Å; L740-Q742 VanDerWaalsContact C-N 3.31Å; L740-Q742 PolarHBondContact O-N 3.05Å; L740-S743 WeakPolarHBondContact O-CB 3.48Å; L740-S743 PolarHBondContact O-N 3.41Å; L740-S743 VanDerWaalsContact O-N 3.17Å; L740-I744 HydrophobicContact CD1-CD1 4.19Å; L740-I744 HydrophobicContact CD1-CG1 4.43Å; L740-I744 HydrophobicContact CG-CD1 3.98Å; L740-I744 WeakPolarHBondContact O-CG1 3.29Å; L740-I744 PolarHBondContact O-N 3.38Å |
| 741 | A | 95.2 | Very high | 91.7 | Very high | 51 Ų | 51 | 60.5 Ų | 60.5 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.2 | -40.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | E737 R738 I744 E745 | E737-A741 VanDerWaalsContact O-CB 3.24Å; E737-A741 WeakPolarHBondContact O-CB 3.41Å; E737-A741 PolarHBondContact O-N 2.95Å; R738-A741 PolarHBondContact O-N 3.05Å; A741-I744 PolarHBondContact O-N 2.97Å; A741-E745 WeakPolarHBondContact O-CB 3.47Å; A741-E745 PolarHBondContact O-N 3.33Å |
| 742 | Q | 94.6 | Very high | 91.8 | Very high | 59 Ų | 59 | 62.1 Ų | 62.1 | 28% | 0.276 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 175 | -72.7 | -61.3 | -62.4 | 0 | 0 | 112.3 | L718 W723 R738 I739 L740 I744 E745 V746 | L718-Q742 HydrophobicContact CD1-CB 4.34Å; L718-Q742 HydrophobicContact CD2-CB 3.96Å; L718-Q742 HydrophobicContact CD2-CG 4.23Å; W723-Q742 HydrophobicContact CH2-CG 4.19Å; R738-Q742 WeakPolarHBondContact O-CG 3.44Å; R738-Q742 PolarHBondContact O-N 3.26Å; I739-Q742 PolarHBondContact O-N 2.56Å; L740-Q742 VanDerWaalsContact C-N 3.31Å; L740-Q742 PolarHBondContact O-N 3.05Å; Q742-I744 VanDerWaalsContact C-N 3.34Å; Q742-I744 PolarHBondContact O-N 3.43Å; Q742-E745 PolarHBondContact NE2-OE2 2.86Å; Q742-E745 PolarHBondContact O-N 2.88Å; Q742-V746 WeakPolarHBondContact O-CB 3.42Å; Q742-V746 VanDerWaalsContact O-CG2 3.3Å; Q742-V746 WeakPolarHBondContact O-CG2 3.44Å; Q742-V746 PolarHBondContact O-N 2.88Å |
| 743 | S | 93.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 173.3 | 174.5 | 0 | 0 | 0 | 0 | 112 | R680 F684 I739 L740 Y747 | R680-S743 PolarHBondContact NH1-OG 2.94Å; R680-S743 VanDerWaalsContact NH1-OG 3.1Å; F684-S743 WeakPolarHBondContact CE2-OG 3.16Å; F684-S743 VanDerWaalsContact CZ-CB 3.48Å; F684-S743 WeakPolarHBondContact CZ-OG 3.44Å; I739-S743 PolarHBondContact O-N 2.78Å; L740-S743 WeakPolarHBondContact O-CB 3.48Å; L740-S743 PolarHBondContact O-N 3.41Å; L740-S743 VanDerWaalsContact O-N 3.17Å; S743-Y747 WeakPolarHBondContact O-CB 3.49Å; S743-Y747 PolarHBondContact O-N 2.68Å; S743-Y747 VanDerWaalsContact O-N 3.1Å |
| 744 | I | 94.4 | Very high | 91.6 | Very high | 48 Ų | 48 | 58.4 Ų | 58.4 | 25% | 0.246 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 177.9 | -66.5 | 167 | 0 | 0 | 0 | 110.7 | L740 A741 Q742 Y747 Q748 | L740-I744 HydrophobicContact CD1-CD1 4.19Å; L740-I744 HydrophobicContact CD1-CG1 4.43Å; L740-I744 HydrophobicContact CG-CD1 3.98Å; L740-I744 WeakPolarHBondContact O-CG1 3.29Å; L740-I744 PolarHBondContact O-N 3.38Å; A741-I744 PolarHBondContact O-N 2.97Å; Q742-I744 VanDerWaalsContact C-N 3.34Å; Q742-I744 PolarHBondContact O-N 3.43Å; I744-Y747 PolarHBondContact O-N 3.18Å; I744-Q748 HydrophobicContact CG2-CG 4.25Å; I744-Q748 WeakPolarHBondContact O-CB 3.29Å; I744-Q748 WeakPolarHBondContact O-CG 3.3Å; I744-Q748 PolarHBondContact O-N 3.43Å |
| 745 | E | 94.2 | Very high | 91.4 | Very high | 69 Ų | 69 | 57 Ų | 57 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | -179.6 | -173.6 | -177 | 176.7 | 0 | 0 | 112 | A741 Q742 Y747 Q748 R749 | A741-E745 WeakPolarHBondContact O-CB 3.47Å; A741-E745 PolarHBondContact O-N 3.33Å; Q742-E745 PolarHBondContact NE2-OE2 2.86Å; Q742-E745 PolarHBondContact O-N 2.88Å; E745-Y747 VanDerWaalsContact C-N 3.26Å; E745-Y747 PolarHBondContact O-N 3.28Å; E745-Q748 PolarHBondContact O-N 3.44Å; E745-R749 WeakPolarHBondContact O-CG 3.34Å; E745-R749 PolarHBondContact O-N 3.3Å; E745-R749 VanDerWaalsContact O-N 3.07Å; E745-R749 IonicContact OE1-CZ 3.54Å; E745-R749 IonicContact OE1-NE 3.75Å; E745-R749 IonicContact OE1-NH2 2.66Å; E745-R749 PolarHBondContact OE1-NH2 2.8Å |
| 746 | V | 91.4 | Very high | 91.2 | Very high | 50 Ų | 50 | 59.3 Ų | 59.3 | 30% | 0.303 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 176.2 | 169.4 | 0 | 0 | 0 | 0 | 110.5 | L716 Q742 R749 K750 | L716-V746 HydrophobicContact CD2-CB 4.11Å; L716-V746 HydrophobicContact CD2-CG1 4.23Å; L716-V746 HydrophobicContact CD2-CG2 3.94Å; Q742-V746 WeakPolarHBondContact O-CB 3.42Å; Q742-V746 VanDerWaalsContact O-CG2 3.3Å; Q742-V746 WeakPolarHBondContact O-CG2 3.44Å; Q742-V746 PolarHBondContact O-N 2.88Å; V746-R749 PolarHBondContact O-N 3.28Å; V746-K750 PolarHBondContact O-N 2.96Å |
| 747 | Y | 90.3 | Very high | 90.9 | Very high | 9 Ų | 9 | 64.7 Ų | 64.7 | 4% | 0.035 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70 | -40.7 | 179.7 | -162 | -105.1 | 0 | 0 | 0 | 113.1 | R680 S743 I744 E745 R749 K750 E751 M759 E763 L826 | R680-Y747 VanDerWaalsContact NH2-CD2 3.25Å; R680-Y747 VanDerWaalsContact NH2-CE1 3.32Å; S743-Y747 WeakPolarHBondContact O-CB 3.49Å; S743-Y747 PolarHBondContact O-N 2.68Å; S743-Y747 VanDerWaalsContact O-N 3.1Å; I744-Y747 PolarHBondContact O-N 3.18Å; E745-Y747 VanDerWaalsContact C-N 3.26Å; E745-Y747 PolarHBondContact O-N 3.28Å; Y747-R749 VanDerWaalsContact C-N 3.3Å; Y747-R749 PolarHBondContact O-N 3.14Å; Y747-K750 HydrophobicContact CD2-CD 4.5Å; Y747-K750 WeakPolarHBondContact O-CA 3.18Å; Y747-K750 WeakPolarHBondContact O-CB 3.37Å; Y747-K750 PolarHBondContact O-N 3.04Å; Y747-E751 PolarHBondContact O-N 3.09Å; Y747-M759 HydrophobicContact CD2-CE 4.41Å; Y747-M759 HydrophobicContact CE1-CE 3.74Å; Y747-M759 HydrophobicContact CE2-CE 3.5Å; Y747-M759 WeakPolarHBondContact OH-CE 3.46Å; Y747-E763 VanDerWaalsContact CE1-OE1 3.31Å; Y747-E763 WeakPolarHBondContact CE1-OE1 3.41Å; Y747-E763 WeakPolarHBondContact OH-CG 3.44Å; Y747-E763 PolarHBondContact OH-OE1 2.85Å; Y747-L826 HydrophobicContact CE2-CB 3.91Å |
| 748 | Q | 91.6 | Very high | 90.3 | Very high | 107 Ų | 107 | 60.1 Ų | 60.1 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.7 | -41 | 174.7 | -76.4 | 175.4 | -5.7 | 0 | 0 | 111.6 | I744 E745 K750 E751 E752 | I744-Q748 HydrophobicContact CG2-CG 4.25Å; I744-Q748 WeakPolarHBondContact O-CB 3.29Å; I744-Q748 WeakPolarHBondContact O-CG 3.3Å; I744-Q748 PolarHBondContact O-N 3.43Å; E745-Q748 PolarHBondContact O-N 3.44Å; Q748-K750 VanDerWaalsContact C-N 3.26Å; Q748-K750 PolarHBondContact O-N 2.88Å; Q748-E751 WeakPolarHBondContact O-CB 3.41Å; Q748-E751 PolarHBondContact O-N 2.93Å; Q748-E751 VanDerWaalsContact O-N 3.13Å; Q748-E752 WeakPolarHBondContact O-CG 3.32Å; Q748-E752 PolarHBondContact O-N 2.91Å |
| 749 | R | 90.9 | Very high | 89.9 | Confident | 141 Ų | 141 | 56.8 Ų | 56.8 | 53% | 0.532 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.2 | -34.8 | 173.5 | -68.8 | 175.2 | -171.6 | -177.9 | 4.1 | 112.5 | E745 V746 Y747 V753 | E745-R749 WeakPolarHBondContact O-CG 3.34Å; E745-R749 PolarHBondContact O-N 3.3Å; E745-R749 VanDerWaalsContact O-N 3.07Å; E745-R749 IonicContact OE1-CZ 3.54Å; E745-R749 IonicContact OE1-NE 3.75Å; E745-R749 IonicContact OE1-NH2 2.66Å; E745-R749 PolarHBondContact OE1-NH2 2.8Å; V746-R749 PolarHBondContact O-N 3.28Å; Y747-R749 VanDerWaalsContact C-N 3.3Å; Y747-R749 PolarHBondContact O-N 3.14Å; R749-V753 WeakPolarHBondContact O-CG2 3.39Å; R749-V753 PolarHBondContact O-N 3.42Å |
| 750 | K | 87 | Confident | 89.7 | Confident | 32 Ų | 32 | 58.5 Ų | 58.5 | 14% | 0.139 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 173.2 | -64.7 | -178.1 | -176.7 | -165.9 | 0 | 111 | V746 Y747 Q748 E752 V753 V754 S827 V829 | V746-K750 PolarHBondContact O-N 2.96Å; Y747-K750 HydrophobicContact CD2-CD 4.5Å; Y747-K750 WeakPolarHBondContact O-CA 3.18Å; Y747-K750 WeakPolarHBondContact O-CB 3.37Å; Y747-K750 PolarHBondContact O-N 3.04Å; Q748-K750 VanDerWaalsContact C-N 3.26Å; Q748-K750 PolarHBondContact O-N 2.88Å; K750-E752 VanDerWaalsContact C-N 3.3Å; K750-E752 PolarHBondContact O-N 3.17Å; K750-V753 PolarHBondContact O-N 3.31Å; K750-V753 VanDerWaalsContact O-N 3.13Å; K750-V754 VanDerWaalsContact O-CG2 3.26Å; K750-V754 WeakPolarHBondContact O-CG2 3.33Å; K750-V754 PolarHBondContact O-N 3.11Å; K750-S827 PolarHBondContact NZ-O 2.86Å; K750-V829 PolarHBondContact NZ-O 2.93Å |
| 751 | E | 89.6 | Confident | 89.2 | Confident | 46 Ų | 46 | 61.7 Ų | 61.7 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.8 | -38.3 | 176.7 | -172.6 | 177.6 | 158.5 | 0 | 0 | 111.9 | Y747 Q748 V753 G755 A756 M759 R760 | Y747-E751 PolarHBondContact O-N 3.09Å; Q748-E751 WeakPolarHBondContact O-CB 3.41Å; Q748-E751 PolarHBondContact O-N 2.93Å; Q748-E751 VanDerWaalsContact O-N 3.13Å; E751-V753 VanDerWaalsContact C-N 3.28Å; E751-V753 PolarHBondContact O-N 3.08Å; E751-G755 VanDerWaalsContact O-CA 3.31Å; E751-G755 WeakPolarHBondContact O-CA 3.47Å; E751-G755 PolarHBondContact O-N 2.74Å; E751-A756 HydrophobicContact CG-CB 4.5Å; E751-A756 WeakPolarHBondContact OE1-CB 3.43Å; E751-M759 HydrophobicContact CB-CG 4.3Å; E751-M759 HydrophobicContact CG-CB 4.12Å; E751-M759 HydrophobicContact CG-CG 4.12Å; E751-R760 IonicContact OE1-CZ 2.86Å; E751-R760 IonicContact OE1-NH2 3.54Å; E751-R760 PolarHBondContact OE1-NH2 3.25Å; E751-R760 IonicContact OE2-CZ 2.89Å; E751-R760 IonicContact OE2-NH1 2.62Å; E751-R760 IonicContact OE2-NH2 3.86Å; E751-R760 PolarHBondContact OE2-NH2 3.01Å |
| 752 | E | 89.8 | Confident | 88.6 | Confident | 161 Ų | 161 | 59.7 Ų | 59.7 | 75% | 0.752 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.5 | -33.5 | 175.1 | -73.2 | 176.8 | 177.1 | 0 | 0 | 113.1 | Q748 K750 | Q748-E752 WeakPolarHBondContact O-CG 3.32Å; Q748-E752 PolarHBondContact O-N 2.91Å; K750-E752 VanDerWaalsContact C-N 3.3Å; K750-E752 PolarHBondContact O-N 3.17Å |
| 753 | V | 86.8 | Confident | 88.3 | Confident | 93 Ų | 93 | 56.9 Ų | 56.9 | 56% | 0.564 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -79.7 | -42.2 | 179.8 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | R749 K750 E751 | R749-V753 WeakPolarHBondContact O-CG2 3.39Å; R749-V753 PolarHBondContact O-N 3.42Å; K750-V753 PolarHBondContact O-N 3.31Å; K750-V753 VanDerWaalsContact O-N 3.13Å; E751-V753 VanDerWaalsContact C-N 3.28Å; E751-V753 PolarHBondContact O-N 3.08Å |
| 754 | V | 82.5 | Confident | 88.1 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -76.6 | -40.2 | -179 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | K750 M758 M759 V831 | K750-V754 VanDerWaalsContact O-CG2 3.26Å; K750-V754 WeakPolarHBondContact O-CG2 3.33Å; K750-V754 PolarHBondContact O-N 3.11Å; V754-M758 HydrophobicContact CG1-CB 3.87Å; V754-M758 HydrophobicContact CG1-CE 3.66Å; V754-M758 HydrophobicContact CG1-CG 3.75Å; V754-M758 HydrophobicContact CG1-SD 4.39Å; V754-M758 WeakPolarHBondContact O-CE 3.45Å; V754-M759 HydrophobicContact CB-SD 4.38Å; V754-M759 HydrophobicContact CG1-CB 4.29Å; V754-M759 HydrophobicContact CG1-SD 4.31Å; V754-M759 HydrophobicContact CG2-SD 4.21Å; V754-V831 HydrophobicContact CG2-CB 3.8Å; V754-V831 HydrophobicContact CG2-CG1 3.38Å; V754-V831 HydrophobicContact CG2-CG2 3.5Å |
| 755 | G | 86.1 | Confident | 87.6 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 32% | 0.32 | 29% | 0.292 | S | S | . | . | trans | 91.5 | 141.5 | -164.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E751 E757 M759 | E751-G755 VanDerWaalsContact O-CA 3.31Å; E751-G755 WeakPolarHBondContact O-CA 3.47Å; E751-G755 PolarHBondContact O-N 2.74Å; G755-E757 PolarHBondContact O-N 3.36Å; G755-M759 WeakPolarHBondContact O-CB 3.41Å; G755-M759 PolarHBondContact O-N 3.44Å | ||
| 756 | A | 88.2 | Confident | 87.2 | Confident | 49 Ų | 49 | 54 Ų | 54 | 41% | 0.405 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.5 | -44.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E751 M759 R760 | E751-A756 HydrophobicContact CG-CB 4.5Å; E751-A756 WeakPolarHBondContact OE1-CB 3.43Å; A756-M759 WeakPolarHBondContact O-CB 3.47Å; A756-M759 PolarHBondContact O-N 3.16Å; A756-R760 WeakPolarHBondContact O-CG 3.26Å; A756-R760 PolarHBondContact O-N 2.85Å |
| 757 | E | 85.7 | Confident | 87.1 | Confident | 151 Ų | 151 | 52.1 Ų | 52.1 | 71% | 0.706 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.4 | -51 | -176.6 | -175.7 | 177 | -174.9 | 0 | 0 | 112.1 | G755 M759 R760 H761 | G755-E757 PolarHBondContact O-N 3.36Å; E757-M759 VanDerWaalsContact C-N 3.28Å; E757-M759 PolarHBondContact O-N 3.25Å; E757-R760 PolarHBondContact O-N 2.84Å; E757-H761 PolarHBondContact O-CD2 3.06Å; E757-H761 VanDerWaalsContact O-CD2 3.22Å; E757-H761 PolarHBondContact O-N 3.47Å; E757-H761 VanDerWaalsContact O-N 3.09Å |
| 758 | M | 81 | Confident | 87 | Confident | 36 Ų | 36 | 52.5 Ų | 52.5 | 18% | 0.177 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.2 | -33.3 | 177.1 | -180 | 163.5 | 52.2 | 0 | 0 | 111.5 | V754 H761 F762 P834 V837 | V754-M758 HydrophobicContact CG1-CB 3.87Å; V754-M758 HydrophobicContact CG1-CE 3.66Å; V754-M758 HydrophobicContact CG1-CG 3.75Å; V754-M758 HydrophobicContact CG1-SD 4.39Å; V754-M758 WeakPolarHBondContact O-CE 3.45Å; M758-H761 PolarHBondContact O-N 3.44Å; M758-F762 WeakPolarHBondContact O-CB 3.43Å; M758-F762 PolarHBondContact O-N 3.38Å; M758-P834 HydrophobicContact CE-CB 3.93Å; M758-V837 HydrophobicContact CG-CB 4.26Å; M758-V837 HydrophobicContact CG-CG1 3.62Å; M758-V837 HydrophobicContact SD-CB 3.79Å; M758-V837 HydrophobicContact SD-CG1 3.79Å |
| 759 | M | 86.4 | Confident | 86.7 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 172.9 | -162.4 | 66.9 | -170.1 | 0 | 0 | 112.2 | Y747 E751 V754 G755 A756 E757 F762 E763 | Y747-M759 HydrophobicContact CD2-CE 4.41Å; Y747-M759 HydrophobicContact CE1-CE 3.74Å; Y747-M759 HydrophobicContact CE2-CE 3.5Å; Y747-M759 WeakPolarHBondContact OH-CE 3.46Å; E751-M759 HydrophobicContact CB-CG 4.3Å; E751-M759 HydrophobicContact CG-CB 4.12Å; E751-M759 HydrophobicContact CG-CG 4.12Å; V754-M759 HydrophobicContact CB-SD 4.38Å; V754-M759 HydrophobicContact CG1-CB 4.29Å; V754-M759 HydrophobicContact CG1-SD 4.31Å; V754-M759 HydrophobicContact CG2-SD 4.21Å; G755-M759 WeakPolarHBondContact O-CB 3.41Å; G755-M759 PolarHBondContact O-N 3.44Å; A756-M759 WeakPolarHBondContact O-CB 3.47Å; A756-M759 PolarHBondContact O-N 3.16Å; E757-M759 VanDerWaalsContact C-N 3.28Å; E757-M759 PolarHBondContact O-N 3.25Å; M759-F762 PolarHBondContact O-N 2.89Å; M759-E763 HydrophobicContact CE-CG 4.49Å; M759-E763 WeakPolarHBondContact O-CB 3.44Å; M759-E763 VanDerWaalsContact O-CG 3.27Å; M759-E763 WeakPolarHBondContact O-CG 3.18Å; M759-E763 PolarHBondContact O-N 3.45Å |
| 760 | R | 89.6 | Confident | 86.6 | Confident | 37 Ų | 37 | 46.8 Ų | 46.8 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.6 | -40 | 177 | -61.2 | -41.5 | 166.4 | -142.9 | -10.8 | 112.3 | D671 E751 A756 E757 E763 K764 | D671-R760 WeakPolarHBondContact OD1-CD 3.33Å; D671-R760 IonicContact OD1-NE 2.79Å; D671-R760 PolarHBondContact OD1-NE 3.34Å; E751-R760 IonicContact OE1-CZ 2.86Å; E751-R760 IonicContact OE1-NH2 3.54Å; E751-R760 PolarHBondContact OE1-NH2 3.25Å; E751-R760 IonicContact OE2-CZ 2.89Å; E751-R760 IonicContact OE2-NH1 2.62Å; E751-R760 IonicContact OE2-NH2 3.86Å; E751-R760 PolarHBondContact OE2-NH2 3.01Å; A756-R760 WeakPolarHBondContact O-CG 3.26Å; A756-R760 PolarHBondContact O-N 2.85Å; E757-R760 PolarHBondContact O-N 2.84Å; R760-E763 WeakPolarHBondContact CD-OE2 2.93Å; R760-E763 IonicContact CZ-OE2 3.63Å; R760-E763 IonicContact NE-OE2 2.86Å; R760-E763 IonicContact NH1-OE1 2.84Å; R760-E763 PolarHBondContact NH1-OE1 3.29Å; R760-E763 IonicContact NH1-OE2 3.45Å; R760-E763 PolarHBondContact NH1-OE2 2.89Å; R760-K764 VanDerWaalsContact O-CB 3.27Å; R760-K764 WeakPolarHBondContact O-CB 3.49Å; R760-K764 PolarHBondContact O-N 2.94Å |
| 761 | H | 83.8 | Confident | 86.8 | Confident | 105 Ų | 105 | 45.3 Ų | 45.3 | 49% | 0.486 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.9 | -44 | 173.6 | -76.9 | -57.6 | 0 | 0 | 0 | 112 | E757 M758 G765 | E757-H761 PolarHBondContact O-CD2 3.06Å; E757-H761 VanDerWaalsContact O-CD2 3.22Å; E757-H761 PolarHBondContact O-N 3.47Å; E757-H761 VanDerWaalsContact O-N 3.09Å; M758-H761 PolarHBondContact O-N 3.44Å; H761-G765 PolarHBondContact O-N 2.54Å |
| 762 | F | 82.8 | Confident | 86.8 | Confident | 10 Ų | 10 | 44.5 Ų | 44.5 | 4% | 0.044 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.8 | -49.2 | 177.1 | -177.6 | -110.9 | 0 | 0 | 0 | 112.4 | M758 M759 K764 G765 V766 L826 V829 V837 L840 | M758-F762 WeakPolarHBondContact O-CB 3.43Å; M758-F762 PolarHBondContact O-N 3.38Å; M759-F762 PolarHBondContact O-N 2.89Å; F762-K764 PolarHBondContact O-N 2.85Å; F762-G765 PolarHBondContact O-N 2.94Å; F762-V766 HydrophobicContact CD2-CG2 4.49Å; F762-V766 HydrophobicContact CE1-CG2 4.08Å; F762-V766 HydrophobicContact CE2-CG2 4.02Å; F762-V766 HydrophobicContact CZ-CG2 3.79Å; F762-V766 WeakPolarHBondContact O-CG2 3.46Å; F762-V766 PolarHBondContact O-N 3.21Å; F762-L826 HydrophobicContact CD1-CD2 3.81Å; F762-L826 HydrophobicContact CE1-CD2 3.65Å; F762-V829 HydrophobicContact CE1-CB 4.16Å; F762-V829 HydrophobicContact CE1-CG1 3.99Å; F762-V829 HydrophobicContact CE1-CG2 3.96Å; F762-V829 HydrophobicContact CZ-CB 4.12Å; F762-V829 HydrophobicContact CZ-CG1 3.84Å; F762-V829 HydrophobicContact CZ-CG2 3.56Å; F762-V837 HydrophobicContact CD2-CG1 4.46Å; F762-L840 HydrophobicContact CD2-CD2 4.47Å; F762-L840 HydrophobicContact CE2-CD2 3.73Å |
| 763 | E | 89.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.4 | -51.9 | 176.1 | -76.1 | 169.7 | 168.6 | 0 | 0 | 111.8 | V672 I676 Y747 M759 R760 G765 V766 M767 L826 | V672-E763 HydrophobicContact CG2-CB 3.73Å; I676-E763 HydrophobicContact CG1-CB 4.37Å; I676-E763 HydrophobicContact CG1-CG 4.38Å; Y747-E763 VanDerWaalsContact CE1-OE1 3.31Å; Y747-E763 WeakPolarHBondContact CE1-OE1 3.41Å; Y747-E763 WeakPolarHBondContact OH-CG 3.44Å; Y747-E763 PolarHBondContact OH-OE1 2.85Å; M759-E763 HydrophobicContact CE-CG 4.49Å; M759-E763 WeakPolarHBondContact O-CB 3.44Å; M759-E763 VanDerWaalsContact O-CG 3.27Å; M759-E763 WeakPolarHBondContact O-CG 3.18Å; M759-E763 PolarHBondContact O-N 3.45Å; R760-E763 WeakPolarHBondContact CD-OE2 2.93Å; R760-E763 IonicContact CZ-OE2 3.63Å; R760-E763 IonicContact NE-OE2 2.86Å; R760-E763 IonicContact NH1-OE1 2.84Å; R760-E763 PolarHBondContact NH1-OE1 3.29Å; R760-E763 IonicContact NH1-OE2 3.45Å; R760-E763 PolarHBondContact NH1-OE2 2.89Å; E763-G765 VanDerWaalsContact C-N 3.33Å; E763-G765 PolarHBondContact O-N 2.92Å; E763-V766 PolarHBondContact O-N 3.41Å; E763-M767 WeakPolarHBondContact O-CG 3.4Å; E763-M767 PolarHBondContact O-N 2.88Å; E763-L826 HydrophobicContact CG-CD1 4.2Å; E763-L826 HydrophobicContact CG-CD2 4.08Å |
| 764 | K | 87.5 | Confident | 86.8 | Confident | 35 Ų | 35 | 35.2 Ų | 35.2 | 15% | 0.152 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -43.2 | 178 | 176.9 | 172.1 | 172.3 | 162 | 0 | 112 | L666 L667 V669 V672 R760 F762 M767 L768 | L666-K764 WeakPolarHBondContact O-CD 3.25Å; L666-K764 WeakPolarHBondContact O-CE 3.09Å; L666-K764 PolarHBondContact O-NZ 3.11Å; L667-K764 VanDerWaalsContact C-NZ 3.3Å; L667-K764 PolarHBondContact O-NZ 2.83Å; V669-K764 PolarHBondContact O-NZ 3.17Å; V672-K764 HydrophobicContact CG2-CB 4.41Å; R760-K764 VanDerWaalsContact O-CB 3.27Å; R760-K764 WeakPolarHBondContact O-CB 3.49Å; R760-K764 PolarHBondContact O-N 2.94Å; F762-K764 PolarHBondContact O-N 2.85Å; K764-M767 PolarHBondContact O-N 3.3Å; K764-L768 HydrophobicContact CG-CD1 4Å; K764-L768 WeakPolarHBondContact O-CB 3.38Å; K764-L768 WeakPolarHBondContact O-CG 3.47Å; K764-L768 PolarHBondContact O-N 3.47Å |
| 765 | G | 84.2 | Confident | 87.2 | Confident | 22 Ų | 22 | 35 Ų | 35 | 23% | 0.227 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | H761 F762 E763 Q769 | H761-G765 PolarHBondContact O-N 2.54Å; F762-G765 PolarHBondContact O-N 2.94Å; E763-G765 VanDerWaalsContact C-N 3.33Å; E763-G765 PolarHBondContact O-N 2.92Å; G765-Q769 WeakPolarHBondContact O-CB 3.42Å; G765-Q769 PolarHBondContact O-N 3.44Å |
| 766 | V | 85.5 | Confident | 87.3 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -49.3 | 175.3 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | F762 E763 L768 Q769 T770 T825 L826 | F762-V766 HydrophobicContact CD2-CG2 4.49Å; F762-V766 HydrophobicContact CE1-CG2 4.08Å; F762-V766 HydrophobicContact CE2-CG2 4.02Å; F762-V766 HydrophobicContact CZ-CG2 3.79Å; F762-V766 WeakPolarHBondContact O-CG2 3.46Å; F762-V766 PolarHBondContact O-N 3.21Å; E763-V766 PolarHBondContact O-N 3.41Å; V766-L768 PolarHBondContact O-N 2.97Å; V766-Q769 PolarHBondContact O-N 3.23Å; V766-T770 WeakPolarHBondContact O-CB 3.18Å; V766-T770 PolarHBondContact O-N 3.42Å; V766-T770 PolarHBondContact O-OG1 2.92Å; V766-T825 HydrophobicContact CG1-CG2 3.85Å; V766-T825 HydrophobicContact CG2-CG2 4.2Å; V766-L826 HydrophobicContact CB-CD2 4.15Å; V766-L826 HydrophobicContact CG1-CD2 4.34Å; V766-L826 HydrophobicContact CG1-CG 4.28Å; V766-L826 HydrophobicContact CG2-CD2 4.03Å |
| 767 | M | 90.1 | Very high | 87.1 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 5% | 0.049 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.4 | -47.9 | 178.6 | -73.9 | -172.2 | 76.4 | 0 | 0 | 112.8 | L666 V672 T675 I676 I679 E763 K764 L771 V822 | L666-M767 HydrophobicContact CD1-CB 4.44Å; L666-M767 HydrophobicContact CD1-CE 4.04Å; L666-M767 HydrophobicContact CD2-CE 3.68Å; L666-M767 HydrophobicContact CD2-SD 3.99Å; V672-M767 HydrophobicContact CB-SD 4.3Å; V672-M767 HydrophobicContact CG2-SD 4.38Å; T675-M767 HydrophobicContact CG2-CE 4.05Å; I676-M767 HydrophobicContact CD1-CG 3.86Å; I676-M767 HydrophobicContact CD1-SD 3.5Å; I676-M767 WeakPolarHBondContact CD1-SD 3.45Å; I676-M767 HydrophobicContact CG1-SD 4.18Å; I679-M767 HydrophobicContact CD1-CE 3.95Å; E763-M767 WeakPolarHBondContact O-CG 3.4Å; E763-M767 PolarHBondContact O-N 2.88Å; K764-M767 PolarHBondContact O-N 3.3Å; M767-L771 WeakPolarHBondContact O-CB 3.4Å; M767-L771 PolarHBondContact O-N 2.94Å; M767-V822 HydrophobicContact CG-CG1 3.82Å; M767-V822 HydrophobicContact CG-CG2 4.07Å |
| 768 | L | 88.4 | Confident | 87.3 | Confident | 17 Ų | 17 | 31.6 Ų | 31.6 | 9% | 0.089 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65 | -44.4 | -179.6 | -74.2 | 171.4 | 0 | 0 | 0 | 111.7 | R663 L666 L667 K764 V766 L771 D772 | R663-L768 HydrophobicContact CG-CD2 3.71Å; L666-L768 HydrophobicContact CB-CD2 4.06Å; L666-L768 HydrophobicContact CD1-CD2 4.42Å; L667-L768 HydrophobicContact CD1-CD1 3.85Å; K764-L768 HydrophobicContact CG-CD1 4Å; K764-L768 WeakPolarHBondContact O-CB 3.38Å; K764-L768 WeakPolarHBondContact O-CG 3.47Å; K764-L768 PolarHBondContact O-N 3.47Å; V766-L768 PolarHBondContact O-N 2.97Å; L768-L771 PolarHBondContact O-N 3.38Å; L768-D772 WeakPolarHBondContact O-CB 3.17Å; L768-D772 VanDerWaalsContact O-CG 3.25Å; L768-D772 PolarHBondContact O-N 3.27Å |
| 769 | Q | 85.3 | Confident | 87.5 | Confident | 106 Ų | 106 | 30.9 Ų | 30.9 | 50% | 0.495 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.3 | -46.3 | 179.6 | -177.1 | 177.9 | -1 | 0 | 0 | 111.8 | G765 V766 D772 S773 | G765-Q769 WeakPolarHBondContact O-CB 3.42Å; G765-Q769 PolarHBondContact O-N 3.44Å; V766-Q769 PolarHBondContact O-N 3.23Å; Q769-D772 PolarHBondContact O-N 2.96Å; Q769-S773 WeakPolarHBondContact O-CB 3.27Å; Q769-S773 PolarHBondContact O-N 3.04Å |
| 770 | T | 88.5 | Confident | 87.3 | Confident | 21 Ų | 21 | 31.2 Ų | 31.2 | 13% | 0.129 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 177.9 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | V766 S773 L774 L818 E821 V822 | V766-T770 WeakPolarHBondContact O-CB 3.18Å; V766-T770 PolarHBondContact O-N 3.42Å; V766-T770 PolarHBondContact O-OG1 2.92Å; T770-S773 PolarHBondContact O-N 3.36Å; T770-L774 HydrophobicContact CG2-CD1 3.87Å; T770-L774 HydrophobicContact CG2-CG 4.43Å; T770-L774 WeakPolarHBondContact O-CB 3.5Å; T770-L774 WeakPolarHBondContact O-CG 3.41Å; T770-L774 PolarHBondContact O-N 3.13Å; T770-L818 HydrophobicContact CG2-CD1 3.67Å; T770-E821 HydrophobicContact CG2-CB 3.57Å; T770-V822 HydrophobicContact CG2-CG2 4.18Å |
| 771 | L | 91.9 | Very high | 87 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59 | -48.7 | 175.3 | 179.3 | 69.5 | 0 | 0 | 0 | 111.5 | I659 R663 L666 M767 L768 S773 W775 L818 | I659-L771 HydrophobicContact CD1-CD1 3.83Å; I659-L771 HydrophobicContact CG2-CD1 4.25Å; I659-L771 HydrophobicContact CG2-CD2 4.47Å; I659-L771 HydrophobicContact CG2-CG 4.39Å; R663-L771 HydrophobicContact CB-CD2 3.78Å; R663-L771 HydrophobicContact CG-CD2 4.01Å; L666-L771 HydrophobicContact CD1-CD2 4.46Å; M767-L771 WeakPolarHBondContact O-CB 3.4Å; M767-L771 PolarHBondContact O-N 2.94Å; L768-L771 PolarHBondContact O-N 3.38Å; L771-S773 VanDerWaalsContact C-N 3.34Å; L771-S773 PolarHBondContact O-N 3.01Å; L771-W775 WeakPolarHBondContact O-CB 3.39Å; L771-W775 PolarHBondContact O-N 3.17Å; L771-L818 HydrophobicContact CB-CD1 3.97Å; L771-L818 HydrophobicContact CB-CD2 4.45Å; L771-L818 HydrophobicContact CD1-CD2 3.58Å |
| 772 | D | 89.1 | Confident | 87 | Confident | 29 Ų | 29 | 25.4 Ų | 25.4 | 16% | 0.155 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.3 | -36.2 | -178.2 | -74.7 | -14.7 | 0 | 0 | 0 | 111.6 | R663 L768 Q769 K776 | R663-D772 WeakPolarHBondContact CD-OD1 3.24Å; R663-D772 IonicContact CZ-OD1 3.15Å; R663-D772 IonicContact CZ-OD2 3.32Å; R663-D772 IonicContact NE-OD1 2.71Å; R663-D772 PolarHBondContact NE-OD1 3.34Å; R663-D772 IonicContact NE-OD2 3.41Å; R663-D772 PolarHBondContact NE-OD2 3.26Å; R663-D772 IonicContact NH2-OD1 2.84Å; R663-D772 IonicContact NH2-OD2 3.74Å; R663-D772 PolarHBondContact NH2-OD2 3.28Å; L768-D772 WeakPolarHBondContact O-CB 3.17Å; L768-D772 VanDerWaalsContact O-CG 3.25Å; L768-D772 PolarHBondContact O-N 3.27Å; Q769-D772 PolarHBondContact O-N 2.96Å; D772-K776 WeakPolarHBondContact O-CD 3.45Å; D772-K776 WeakPolarHBondContact O-CG 3.44Å; D772-K776 PolarHBondContact O-N 3.49Å |
| 773 | S | 86.2 | Confident | 86.8 | Confident | 35 Ų | 35 | 28.4 Ų | 28.4 | 25% | 0.245 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.6 | -55.1 | 176.7 | -159.9 | 0 | 0 | 0 | 0 | 111.6 | Q769 T770 L771 W775 K776 E777 | Q769-S773 WeakPolarHBondContact O-CB 3.27Å; Q769-S773 PolarHBondContact O-N 3.04Å; T770-S773 PolarHBondContact O-N 3.36Å; L771-S773 VanDerWaalsContact C-N 3.34Å; L771-S773 PolarHBondContact O-N 3.01Å; S773-W775 PolarHBondContact O-N 3.28Å; S773-K776 WeakPolarHBondContact O-CB 3.47Å; S773-K776 PolarHBondContact O-N 2.9Å; S773-E777 PolarHBondContact O-N 3.43Å; S773-E777 VanDerWaalsContact O-N 3.14Å |
| 774 | L | 90.3 | Very high | 86.3 | Confident | 23 Ų | 23 | 30.4 Ų | 30.4 | 12% | 0.12 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.1 | -35.2 | -180 | -69.6 | 174.1 | 0 | 0 | 0 | 112 | T770 E777 H778 M814 L818 | T770-L774 HydrophobicContact CG2-CD1 3.87Å; T770-L774 HydrophobicContact CG2-CG 4.43Å; T770-L774 WeakPolarHBondContact O-CB 3.5Å; T770-L774 WeakPolarHBondContact O-CG 3.41Å; T770-L774 PolarHBondContact O-N 3.13Å; L774-E777 PolarHBondContact O-N 3.44Å; L774-H778 VanDerWaalsContact O-CB 3.31Å; L774-H778 WeakPolarHBondContact O-CB 3.24Å; L774-H778 PolarHBondContact O-N 3.18Å; L774-M814 HydrophobicContact CB-CG 3.78Å; L774-M814 HydrophobicContact CB-SD 4.38Å; L774-L818 HydrophobicContact CD1-CB 3.71Å; L774-L818 HydrophobicContact CD1-CD1 4.3Å |
| 775 | W | 91.8 | Very high | 86 | Confident | 9 Ų | 9 | 29.1 Ų | 29.1 | 3% | 0.034 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.8 | -39.4 | 176.1 | 179.7 | -118.1 | 0 | 0 | 0 | 112.8 | Q655 R656 I659 L771 S773 H778 L779 F811 M814 | Q655-W775 HydrophobicContact CB-CH2 4.02Å; Q655-W775 HydrophobicContact CB-CZ3 4.16Å; R656-W775 HydrophobicContact CB-CH2 4.13Å; R656-W775 HydrophobicContact CB-CZ2 3.8Å; R656-W775 HydrophobicContact CG-CZ2 4.09Å; I659-W775 HydrophobicContact CB-CD2 4.42Å; I659-W775 HydrophobicContact CB-CE3 4.46Å; I659-W775 HydrophobicContact CD1-CE3 4.44Å; I659-W775 HydrophobicContact CG1-CD2 4.18Å; I659-W775 HydrophobicContact CG1-CE3 3.75Å; I659-W775 HydrophobicContact CG1-CZ3 3.92Å; I659-W775 HydrophobicContact CG2-CB 4.46Å; I659-W775 HydrophobicContact CG2-CD2 4.07Å; I659-W775 HydrophobicContact CG2-CE3 4.48Å; I659-W775 HydrophobicContact CG2-CG 4.04Å; L771-W775 WeakPolarHBondContact O-CB 3.39Å; L771-W775 PolarHBondContact O-N 3.17Å; S773-W775 PolarHBondContact O-N 3.28Å; W775-H778 HydrophobicContact CE3-CB 4.36Å; W775-H778 AromaticContact CE3-CD2 3.74Å; W775-H778 AromaticContact CZ3-CD2 3.31Å; W775-H778 WeakPolarHBondContact CZ3-CD2 3.29Å; W775-H778 AromaticContact CZ3-NE2 3.97Å; W775-H778 PolarHBondContact O-N 3.22Å; W775-L779 HydrophobicContact CD2-CG 4.25Å; W775-L779 HydrophobicContact CH2-CD2 3.95Å; W775-L779 HydrophobicContact CZ2-CD1 4.32Å; W775-L779 HydrophobicContact CZ2-CD2 3.52Å; W775-L779 HydrophobicContact CZ2-CG 3.94Å; W775-L779 WeakPolarHBondContact O-CG 3.29Å; W775-L779 PolarHBondContact O-N 3.32Å; W775-F811 HydrophobicContact CZ3-CD2 4.34Å; W775-F811 HydrophobicContact CZ3-CE2 4.09Å; W775-M814 HydrophobicContact CE3-CE 4.26Å; W775-M814 HydrophobicContact CE3-SD 4.03Å |
| 776 | K | 86.9 | Confident | 85.9 | Confident | 54 Ų | 54 | 31.4 Ų | 31.4 | 24% | 0.235 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.4 | -43 | 175.9 | -69.5 | 165.1 | -165.8 | 175.1 | 0 | 111.7 | Q370 L372 D772 S773 L779 A780 | Q370-K776 PolarHBondContact NE2-O 3.33Å; Q370-K776 VanDerWaalsContact NE2-O 3.1Å; L372-K776 HydrophobicContact CD2-CD 3.75Å; L372-K776 HydrophobicContact CD2-CG 4.25Å; D772-K776 WeakPolarHBondContact O-CD 3.45Å; D772-K776 WeakPolarHBondContact O-CG 3.44Å; D772-K776 PolarHBondContact O-N 3.49Å; S773-K776 WeakPolarHBondContact O-CB 3.47Å; S773-K776 PolarHBondContact O-N 2.9Å; K776-L779 PolarHBondContact O-N 3.26Å; K776-A780 PolarHBondContact O-N 2.97Å; K776-A780 VanDerWaalsContact O-N 3.11Å |
| 777 | E | 84.8 | Confident | 85.3 | Confident | 97 Ų | 97 | 37.1 Ų | 37.1 | 45% | 0.453 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 174.9 | -68.3 | 176.8 | -173 | 0 | 0 | 111.2 | S773 L774 L779 A780 A781 | S773-E777 PolarHBondContact O-N 3.43Å; S773-E777 VanDerWaalsContact O-N 3.14Å; L774-E777 PolarHBondContact O-N 3.44Å; E777-L779 PolarHBondContact O-N 2.92Å; E777-A780 PolarHBondContact O-N 3.4Å; E777-A781 WeakPolarHBondContact O-CB 3.24Å; E777-A781 PolarHBondContact O-N 2.98Å |
| 778 | H | 89 | Confident | 84.4 | Confident | 9 Ų | 9 | 38.4 Ų | 38.4 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 176.8 | 179.2 | 80.6 | 0 | 0 | 0 | 112.5 | Q655 L774 W775 A781 M782 F811 M814 | Q655-H778 PolarHBondContact OE1-NE2 2.85Å; L774-H778 VanDerWaalsContact O-CB 3.31Å; L774-H778 WeakPolarHBondContact O-CB 3.24Å; L774-H778 PolarHBondContact O-N 3.18Å; W775-H778 HydrophobicContact CE3-CB 4.36Å; W775-H778 AromaticContact CE3-CD2 3.74Å; W775-H778 AromaticContact CZ3-CD2 3.31Å; W775-H778 WeakPolarHBondContact CZ3-CD2 3.29Å; W775-H778 AromaticContact CZ3-NE2 3.97Å; W775-H778 PolarHBondContact O-N 3.22Å; H778-A781 PolarHBondContact O-N 2.95Å; H778-M782 WeakPolarHBondContact NE2-CG 3.45Å; H778-M782 WeakPolarHBondContact O-CB 3.17Å; H778-M782 WeakPolarHBondContact O-CG 3.34Å; H778-M782 PolarHBondContact O-N 3.33Å; H778-F811 AromaticContact NE2-CD2 4Å; H778-M814 HydrophobicContact CB-CG 4.25Å; H778-M814 HydrophobicContact CB-SD 3.41Å; H778-M814 WeakPolarHBondContact CB-SD 3.35Å |
| 779 | L | 86.1 | Confident | 83.5 | Confident | 20 Ų | 20 | 37.6 Ų | 37.6 | 11% | 0.105 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 173.9 | -75.9 | 179.6 | 0 | 0 | 0 | 111.7 | W775 K776 E777 M782 D783 | W775-L779 HydrophobicContact CD2-CG 4.25Å; W775-L779 HydrophobicContact CH2-CD2 3.95Å; W775-L779 HydrophobicContact CZ2-CD1 4.32Å; W775-L779 HydrophobicContact CZ2-CD2 3.52Å; W775-L779 HydrophobicContact CZ2-CG 3.94Å; W775-L779 WeakPolarHBondContact O-CG 3.29Å; W775-L779 PolarHBondContact O-N 3.32Å; K776-L779 PolarHBondContact O-N 3.26Å; E777-L779 PolarHBondContact O-N 2.92Å; L779-M782 PolarHBondContact O-N 3.46Å; L779-D783 PolarHBondContact O-N 2.84Å; L779-D783 VanDerWaalsContact O-N 3.08Å |
| 780 | A | 81.2 | Confident | 82.6 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 11% | 0.107 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | K776 E777 M782 D783 Y784 | K776-A780 PolarHBondContact O-N 2.97Å; K776-A780 VanDerWaalsContact O-N 3.11Å; E777-A780 PolarHBondContact O-N 3.4Å; A780-M782 VanDerWaalsContact C-N 3.3Å; A780-M782 PolarHBondContact O-N 2.82Å; A780-D783 PolarHBondContact O-N 3.33Å; A780-Y784 HydrophobicContact CB-CE2 4.38Å; A780-Y784 WeakPolarHBondContact O-CD2 3.47Å; A780-Y784 PolarHBondContact O-N 3.47Å; A780-Y784 VanDerWaalsContact O-N 3.12Å |
| 781 | A | 83.3 | Confident | 81.2 | Confident | 15 Ų | 15 | 43.3 Ų | 43.3 | 12% | 0.124 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -36.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E777 H778 Y784 L785 M810 | E777-A781 WeakPolarHBondContact O-CB 3.24Å; E777-A781 PolarHBondContact O-N 2.98Å; H778-A781 PolarHBondContact O-N 2.95Å; A781-Y784 PolarHBondContact O-N 2.8Å; A781-L785 WeakPolarHBondContact O-CB 3.38Å; A781-L785 PolarHBondContact O-N 2.88Å; A781-M810 HydrophobicContact CB-CE 3.33Å |
| 782 | M | 85 | Confident | 79.7 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.02 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -39.4 | 174.6 | -77.3 | -69.5 | -73.2 | 0 | 0 | 112.7 | A652 H778 L779 A780 L785 R786 Y803 S807 | A652-M782 HydrophobicContact CB-CE 4.21Å; H778-M782 WeakPolarHBondContact NE2-CG 3.45Å; H778-M782 WeakPolarHBondContact O-CB 3.17Å; H778-M782 WeakPolarHBondContact O-CG 3.34Å; H778-M782 PolarHBondContact O-N 3.33Å; L779-M782 PolarHBondContact O-N 3.46Å; A780-M782 VanDerWaalsContact C-N 3.3Å; A780-M782 PolarHBondContact O-N 2.82Å; M782-L785 PolarHBondContact O-N 3.4Å; M782-L785 HydrophobicContact SD-CD2 4.23Å; M782-R786 PolarHBondContact O-N 2.89Å; M782-Y803 HydrophobicContact CE-CE1 4.03Å; M782-Y803 HydrophobicContact CE-CE2 4.47Å; M782-Y803 VanDerWaalsContact CE-OH 3.22Å; M782-Y803 WeakPolarHBondContact CE-OH 2.98Å; M782-S807 WeakPolarHBondContact SD-CB 3.47Å |
| 783 | D | 78.7 | Confident | 78.2 | Confident | 73 Ų | 73 | 47.7 Ų | 47.7 | 39% | 0.39 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.4 | -43.1 | 175.3 | -76.5 | -23.2 | 0 | 0 | 0 | 111 | L779 A780 R786 Q787 | L779-D783 PolarHBondContact O-N 2.84Å; L779-D783 VanDerWaalsContact O-N 3.08Å; A780-D783 PolarHBondContact O-N 3.33Å; D783-R786 WeakPolarHBondContact O-CB 3.39Å; D783-R786 PolarHBondContact O-N 3.43Å; D783-Q787 WeakPolarHBondContact O-CG 3.33Å; D783-Q787 PolarHBondContact O-N 3.45Å; D783-Q787 VanDerWaalsContact O-N 3.16Å |
| 784 | Y | 79 | Confident | 76.8 | Confident | 42 Ų | 42 | 55.7 Ų | 55.7 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 174.6 | -66.5 | -54.4 | 0 | 0 | 0 | 112.8 | I304 M305 H308 A780 A781 R786 Q787 G788 | I304-Y784 VanDerWaalsContact CG2-CB 3.46Å; I304-Y784 HydrophobicContact CG2-CD2 4.12Å; I304-Y784 HydrophobicContact CG2-CG 4.05Å; M305-Y784 HydrophobicContact CE-CE2 3.98Å; M305-Y784 HydrophobicContact SD-CD2 3.68Å; M305-Y784 HydrophobicContact SD-CE2 3.3Å; M305-Y784 WeakPolarHBondContact SD-CE2 3.23Å; H308-Y784 HydrophobicContact CB-CE1 4.31Å; H308-Y784 AromaticContact CD2-CZ 3.95Å; H308-Y784 PolarHBondContact CD2-OH 2.89Å; H308-Y784 AromaticContact CE1-CE1 3.52Å; H308-Y784 AromaticContact CE1-CZ 3.83Å; H308-Y784 PolarHBondContact CE1-OH 3.25Å; H308-Y784 AromaticContact CG-CE1 3.69Å; H308-Y784 AromaticContact CG-CZ 3.73Å; H308-Y784 AromaticContact ND1-CD1 3.97Å; H308-Y784 AromaticContact ND1-CE1 3.2Å; H308-Y784 WeakPolarHBondContact ND1-CE1 3.42Å; H308-Y784 AromaticContact ND1-CZ 3.68Å; H308-Y784 PolarHBondContact NE2-OH 2.87Å; A780-Y784 HydrophobicContact CB-CE2 4.38Å; A780-Y784 WeakPolarHBondContact O-CD2 3.47Å; A780-Y784 PolarHBondContact O-N 3.47Å; A780-Y784 VanDerWaalsContact O-N 3.12Å; A781-Y784 PolarHBondContact O-N 2.8Å; Y784-R786 VanDerWaalsContact C-N 3.26Å; Y784-R786 PolarHBondContact O-N 2.94Å; Y784-Q787 PolarHBondContact O-N 3.31Å; Y784-Q787 VanDerWaalsContact O-N 3.16Å; Y784-G788 PolarHBondContact O-N 3.25Å |
| 785 | L | 81.7 | Confident | 75.7 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.2 | -44.5 | 175 | 176.9 | 63.1 | 0 | 0 | 0 | 110.7 | A781 M782 Q787 G788 I789 Y803 E806 M810 | A781-L785 WeakPolarHBondContact O-CB 3.38Å; A781-L785 PolarHBondContact O-N 2.88Å; M782-L785 PolarHBondContact O-N 3.4Å; M782-L785 HydrophobicContact SD-CD2 4.23Å; L785-Q787 VanDerWaalsContact C-N 3.33Å; L785-Q787 PolarHBondContact O-N 2.96Å; L785-G788 PolarHBondContact O-N 3.24Å; L785-I789 HydrophobicContact CD1-CD1 3.96Å; L785-I789 WeakPolarHBondContact O-CB 3.35Å; L785-I789 PolarHBondContact O-N 2.77Å; L785-Y803 HydrophobicContact CB-CE2 4.38Å; L785-Y803 HydrophobicContact CD2-CD2 3.78Å; L785-Y803 HydrophobicContact CD2-CE2 3.86Å; L785-Y803 HydrophobicContact CG-CD2 3.78Å; L785-Y803 HydrophobicContact CG-CE2 3.88Å; L785-E806 HydrophobicContact CD1-CB 4.28Å; L785-E806 HydrophobicContact CD1-CG 3.8Å; L785-E806 VanDerWaalsContact CD1-OE2 3.28Å; L785-E806 WeakPolarHBondContact CD1-OE2 3.48Å; L785-E806 HydrophobicContact CD2-CB 4.12Å; L785-E806 HydrophobicContact CD2-CG 4.11Å; L785-M810 HydrophobicContact CD2-SD 3.91Å |
| 786 | R | 80.3 | Confident | 74.8 | Confident | 69 Ų | 69 | 66.6 Ų | 66.6 | 26% | 0.26 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 178.4 | -173.5 | -176.2 | -175.2 | 154.6 | 10.2 | 112.1 | D649 M782 D783 Y784 Y803 | D649-R786 IonicContact OD1-CZ 3.41Å; D649-R786 VanDerWaalsContact OD1-CZ 3.32Å; D649-R786 IonicContact OD1-NH1 2.72Å; D649-R786 PolarHBondContact OD1-NH1 3.34Å; D649-R786 IonicContact OD1-NH2 2.75Å; D649-R786 PolarHBondContact OD1-NH2 2.9Å; D649-R786 VanDerWaalsContact OD1-NH2 3.15Å; M782-R786 PolarHBondContact O-N 2.89Å; D783-R786 WeakPolarHBondContact O-CB 3.39Å; D783-R786 PolarHBondContact O-N 3.43Å; Y784-R786 VanDerWaalsContact C-N 3.26Å; Y784-R786 PolarHBondContact O-N 2.94Å; R786-Y803 HydrophobicContact CB-CE2 3.98Å |
| 787 | Q | 73.4 | Confident | 74.3 | Confident | 123 Ų | 123 | 69 Ų | 69 | 58% | 0.575 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68 | -38.8 | 178.4 | -66.3 | 179.6 | 19.5 | 0 | 0 | 112 | D783 Y784 L785 | D783-Q787 WeakPolarHBondContact O-CG 3.33Å; D783-Q787 PolarHBondContact O-N 3.45Å; D783-Q787 VanDerWaalsContact O-N 3.16Å; Y784-Q787 PolarHBondContact O-N 3.31Å; Y784-Q787 VanDerWaalsContact O-N 3.16Å; L785-Q787 VanDerWaalsContact C-N 3.33Å; L785-Q787 PolarHBondContact O-N 2.96Å |
| 788 | G | 71 | Confident | 74.1 | Confident | 36 Ų | 36 | 68.5 Ų | 68.5 | 37% | 0.371 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -82.9 | -22.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y784 L785 H790 L791 | Y784-G788 PolarHBondContact O-N 3.25Å; L785-G788 PolarHBondContact O-N 3.24Å; G788-H790 PolarHBondContact O-N 3.11Å; G788-H790 VanDerWaalsContact O-N 3.15Å; G788-L791 PolarHBondContact O-N 2.73Å |
| 789 | I | 69.4 | Low | 73.8 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -62.7 | -28.4 | -170 | -155.5 | 82.8 | 0 | 0 | 0 | 113.5 | Y648 L785 L791 R792 P799 E802 | Y648-I789 HydrophobicContact CE1-CG2 4.42Å; L785-I789 HydrophobicContact CD1-CD1 3.96Å; L785-I789 WeakPolarHBondContact O-CB 3.35Å; L785-I789 PolarHBondContact O-N 2.77Å; I789-L791 PolarHBondContact O-N 3.24Å; I789-R792 WeakPolarHBondContact O-CB 2.96Å; I789-R792 PolarHBondContact O-N 3.23Å; I789-P799 HydrophobicContact CG1-CB 4.32Å; I789-P799 WeakPolarHBondContact CG1-O 3.21Å; I789-E802 HydrophobicContact CD1-CB 4.14Å |
| 790 | H | 65.9 | Low | 73.7 | Confident | 119 Ų | 119 | 70.1 Ų | 70.1 | 55% | 0.551 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -66.4 | -25 | -175.9 | -69.9 | -61.8 | 0 | 0 | 0 | 113.3 | G788 R792 G793 | G788-H790 PolarHBondContact O-N 3.11Å; G788-H790 VanDerWaalsContact O-N 3.15Å; H790-R792 PolarHBondContact O-N 2.85Å; H790-G793 PolarHBondContact O-N 3.31Å; H790-G793 VanDerWaalsContact O-N 3.16Å |
| 791 | L | 61 | Low | 73.9 | Confident | 127 Ų | 127 | 74.5 Ų | 74.5 | 67% | 0.665 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -63.9 | -22.5 | 172.9 | -64.6 | 173.3 | 0 | 0 | 0 | 111.9 | G788 I789 G793 Y794 | G788-L791 PolarHBondContact O-N 2.73Å; I789-L791 PolarHBondContact O-N 3.24Å; L791-G793 VanDerWaalsContact C-N 3.3Å; L791-G793 PolarHBondContact O-N 3.01Å; L791-Y794 HydrophobicContact CD2-CE2 4.22Å; L791-Y794 WeakPolarHBondContact O-CD2 3.38Å; L791-Y794 PolarHBondContact O-N 3.38Å |
| 792 | R | 58.6 | Low | 74 | Confident | 87 Ų | 87 | 74.7 Ų | 74.7 | 33% | 0.328 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -78.2 | -15 | 177.9 | -59.3 | -173.2 | 179.8 | 174.9 | 10 | 113.5 | I789 H790 Y794 A795 E802 E806 | I789-R792 WeakPolarHBondContact O-CB 2.96Å; I789-R792 PolarHBondContact O-N 3.23Å; H790-R792 PolarHBondContact O-N 2.85Å; R792-Y794 PolarHBondContact O-N 3.4Å; R792-A795 PolarHBondContact O-N 2.97Å; R792-E802 IonicContact NH1-OE2 3.29Å; R792-E806 IonicContact CZ-OE1 3.65Å; R792-E806 IonicContact CZ-OE2 2.61Å; R792-E806 IonicContact NH1-OE1 2.7Å; R792-E806 IonicContact NH1-OE2 3.98Å; R792-E806 PolarHBondContact NH1-OE2 2.96Å; R792-E806 VanDerWaalsContact NH2-CD 3.3Å; R792-E806 IonicContact NH2-OE1 3.73Å; R792-E806 PolarHBondContact NH2-OE1 3.47Å; R792-E806 IonicContact NH2-OE2 3.47Å; R792-E806 PolarHBondContact NH2-OE2 2.99Å |
| 793 | G | 57.6 | Low | 74.1 | Confident | 36 Ų | 36 | 74.8 Ų | 74.8 | 37% | 0.371 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -58.4 | -25.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | H790 L791 A795 Q796 | H790-G793 PolarHBondContact O-N 3.31Å; H790-G793 VanDerWaalsContact O-N 3.16Å; L791-G793 VanDerWaalsContact C-N 3.3Å; L791-G793 PolarHBondContact O-N 3.01Å; G793-A795 PolarHBondContact O-N 3.4Å; G793-Q796 PolarHBondContact O-N 2.88Å |
| 794 | Y | 57.8 | Low | 74.6 | Confident | 204 Ų | 204 | 75.3 Ų | 75.3 | 80% | 0.8 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -64.1 | -25.2 | 174.1 | -69.6 | -67.5 | 0 | 0 | 0 | 113.2 | L791 R792 Q796 | L791-Y794 HydrophobicContact CD2-CE2 4.22Å; L791-Y794 WeakPolarHBondContact O-CD2 3.38Å; L791-Y794 PolarHBondContact O-N 3.38Å; R792-Y794 PolarHBondContact O-N 3.4Å; Y794-Q796 VanDerWaalsContact C-N 3.31Å; Y794-Q796 PolarHBondContact O-N 3.26Å |
| 795 | A | 67.4 | Low | 75.1 | Confident | 67 Ų | 67 | 79.9 Ų | 79.9 | 55% | 0.554 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -89 | 15.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R792 G793 K797 | R792-A795 PolarHBondContact O-N 2.97Å; G793-A795 PolarHBondContact O-N 3.4Å; A795-K797 PolarHBondContact O-N 2.93Å; A795-K797 VanDerWaalsContact O-N 3.07Å |
| 796 | Q | 72.8 | Confident | 75.4 | Confident | 193 Ų | 193 | 80.5 Ų | 80.5 | 90% | 0.902 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 16.5 | -176 | -58.1 | -177 | -6.5 | 0 | 0 | 115.1 | G793 Y794 | G793-Q796 PolarHBondContact O-N 2.88Å; Y794-Q796 VanDerWaalsContact C-N 3.31Å; Y794-Q796 PolarHBondContact O-N 3.26Å |
| 797 | K | 76.7 | Confident | 75.9 | Confident | 105 Ų | 105 | 77.2 Ų | 77.2 | 46% | 0.457 | 38% | 0.379 | S | S | . | . | trans | -86 | 148 | 170.8 | -67.2 | -175.5 | 175.3 | -176.9 | 0 | 110 | A795 P799 E802 | A795-K797 PolarHBondContact O-N 2.93Å; A795-K797 VanDerWaalsContact O-N 3.07Å; K797-P799 WeakPolarHBondContact O-CD 3.41Å; K797-E802 HydrophobicContact CB-CG 4.04Å; K797-E802 HydrophobicContact CD-CG 4.02Å; K797-E802 IonicContact NZ-OE2 3.37Å | ||
| 798 | D | 80.5 | Confident | 76.8 | Confident | 86 Ų | 86 | 78 Ų | 78 | 46% | 0.46 | 38% | 0.381 | S | S | . | . | trans | -70.1 | 111.5 | 170.4 | -177.6 | -7 | 0 | 0 | 0 | 109 | K800 Q801 E802 | D798-K800 PolarHBondContact O-N 3.44Å; D798-K800 VanDerWaalsContact O-N 3.1Å; D798-K800 WeakPolarHBondContact OD1-CB 3.4Å; D798-K800 PolarHBondContact OD1-N 3.38Å; D798-Q801 HydrophobicContact CB-CB 4.34Å; D798-Q801 HydrophobicContact CB-CG 4.08Å; D798-Q801 PolarHBondContact O-N 2.93Å; D798-Q801 VanDerWaalsContact O-N 3.1Å; D798-E802 PolarHBondContact O-N 2.92Å | ||
| 799 | P | 81.8 | Confident | 77.8 | Confident | 27 Ų | 27 | 80 Ų | 80 | 18% | 0.175 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56.8 | -29.8 | -178 | -24.1 | 35.8 | 0 | 0 | 0 | 112.7 | I789 K797 Y803 | I789-P799 HydrophobicContact CG1-CB 4.32Å; I789-P799 WeakPolarHBondContact CG1-O 3.21Å; K797-P799 WeakPolarHBondContact O-CD 3.41Å; P799-Y803 WeakPolarHBondContact O-CB 3.43Å; P799-Y803 PolarHBondContact O-N 3.23Å |
| 800 | K | 83.6 | Confident | 78.8 | Confident | 36 Ų | 36 | 81 Ų | 81 | 16% | 0.157 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.5 | -41.6 | 179.1 | 177 | -175.8 | 168.1 | -176.7 | 0 | 112.7 | E647 Y648 D798 E802 Y803 K804 | E647-K800 HydrophobicContact CB-CD 4.23Å; E647-K800 IonicContact OE1-NZ 2.81Å; E647-K800 PolarHBondContact OE1-NZ 2.89Å; E647-K800 WeakPolarHBondContact OE2-CD 3.35Å; E647-K800 VanDerWaalsContact OE2-CE 3.32Å; E647-K800 WeakPolarHBondContact OE2-CE 3.47Å; E647-K800 IonicContact OE2-NZ 3.88Å; E647-K800 PolarHBondContact OE2-NZ 3.3Å; Y648-K800 HydrophobicContact CE1-CB 4.44Å; D798-K800 PolarHBondContact O-N 3.44Å; D798-K800 VanDerWaalsContact O-N 3.1Å; D798-K800 WeakPolarHBondContact OD1-CB 3.4Å; D798-K800 PolarHBondContact OD1-N 3.38Å; K800-E802 VanDerWaalsContact C-N 3.34Å; K800-Y803 PolarHBondContact O-N 3.48Å; K800-K804 WeakPolarHBondContact O-CG 3.23Å; K800-K804 PolarHBondContact O-N 3.36Å |
| 801 | Q | 86.8 | Confident | 80.2 | Confident | 106 Ų | 106 | 76.3 Ų | 76.3 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.3 | -37.5 | 179.3 | -64.7 | -59.9 | -30.9 | 0 | 0 | 110.9 | D798 K804 R805 | D798-Q801 HydrophobicContact CB-CB 4.34Å; D798-Q801 HydrophobicContact CB-CG 4.08Å; D798-Q801 PolarHBondContact O-N 2.93Å; D798-Q801 VanDerWaalsContact O-N 3.1Å; Q801-K804 PolarHBondContact O-N 3.45Å; Q801-R805 PolarHBondContact O-N 3.4Å |
| 802 | E | 84.7 | Confident | 81.7 | Confident | 18 Ų | 18 | 72.1 Ų | 72.1 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 173.7 | -65.3 | -66.9 | 119.3 | 0 | 0 | 111.1 | I789 R792 K797 D798 K800 K804 R805 E806 | I789-E802 HydrophobicContact CD1-CB 4.14Å; R792-E802 IonicContact NH1-OE2 3.29Å; K797-E802 HydrophobicContact CB-CG 4.04Å; K797-E802 HydrophobicContact CD-CG 4.02Å; K797-E802 IonicContact NZ-OE2 3.37Å; D798-E802 PolarHBondContact O-N 2.92Å; K800-E802 VanDerWaalsContact C-N 3.34Å; E802-K804 VanDerWaalsContact C-N 3.35Å; E802-K804 PolarHBondContact O-N 2.76Å; E802-R805 PolarHBondContact O-N 3.5Å; E802-R805 IonicContact OE1-CZ 2.77Å; E802-R805 IonicContact OE1-NH1 3.36Å; E802-R805 PolarHBondContact OE1-NH1 3.43Å; E802-R805 IonicContact OE1-NH2 2.8Å; E802-R805 IonicContact OE2-CZ 2.89Å; E802-R805 IonicContact OE2-NH1 3.17Å; E802-R805 PolarHBondContact OE2-NH1 2.98Å; E802-R805 IonicContact OE2-NH2 3.93Å; E802-R805 PolarHBondContact OE2-NH2 3.48Å; E802-E806 WeakPolarHBondContact O-CB 3.21Å; E802-E806 PolarHBondContact O-N 2.89Å |
| 803 | Y | 87.2 | Confident | 83.4 | Confident | 7 Ų | 7 | 70.6 Ų | 70.6 | 3% | 0.027 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -55.4 | -49.2 | 174.7 | -176.1 | -100.5 | 0 | 0 | 0 | 111.5 | Y648 V651 M782 L785 R786 P799 K800 R805 E806 S807 | Y648-Y803 AromaticContact CD1-CD1 3.53Å; Y648-Y803 HydrophobicContact CD1-CD1 3.53Å; Y648-Y803 HydrophobicContact CD1-CD2 4.05Å; Y648-Y803 AromaticContact CD1-CE1 3.89Å; Y648-Y803 HydrophobicContact CD1-CE1 3.89Å; Y648-Y803 HydrophobicContact CD1-CE2 4.4Å; Y648-Y803 AromaticContact CD1-CG 3.59Å; Y648-Y803 HydrophobicContact CD1-CG 3.59Å; Y648-Y803 HydrophobicContact CE1-CD1 4.23Å; Y648-Y803 HydrophobicContact CE1-CD2 4.42Å; Y648-Y803 AromaticContact CE1-CG 3.92Å; Y648-Y803 HydrophobicContact CE1-CG 3.92Å; Y648-Y803 HydrophobicContact CG-CD1 4.48Å; V651-Y803 HydrophobicContact CB-CD1 4.37Å; V651-Y803 HydrophobicContact CB-CE1 3.98Å; V651-Y803 HydrophobicContact CG1-CD1 4.4Å; V651-Y803 HydrophobicContact CG1-CE1 4.15Å; V651-Y803 HydrophobicContact CG2-CD1 4.29Å; V651-Y803 HydrophobicContact CG2-CE1 4.32Å; M782-Y803 HydrophobicContact CE-CE1 4.03Å; M782-Y803 HydrophobicContact CE-CE2 4.47Å; M782-Y803 VanDerWaalsContact CE-OH 3.22Å; M782-Y803 WeakPolarHBondContact CE-OH 2.98Å; L785-Y803 HydrophobicContact CB-CE2 4.38Å; L785-Y803 HydrophobicContact CD2-CD2 3.78Å; L785-Y803 HydrophobicContact CD2-CE2 3.86Å; L785-Y803 HydrophobicContact CG-CD2 3.78Å; L785-Y803 HydrophobicContact CG-CE2 3.88Å; R786-Y803 HydrophobicContact CB-CE2 3.98Å; P799-Y803 WeakPolarHBondContact O-CB 3.43Å; P799-Y803 PolarHBondContact O-N 3.23Å; K800-Y803 PolarHBondContact O-N 3.48Å; Y803-R805 PolarHBondContact O-N 2.93Å; Y803-E806 PolarHBondContact O-N 3.39Å; Y803-S807 WeakPolarHBondContact O-CB 3.35Å; Y803-S807 PolarHBondContact O-N 3.18Å; Y803-S807 PolarHBondContact O-OG 2.89Å |
| 804 | K | 89.4 | Confident | 85.1 | Confident | 83 Ų | 83 | 69.6 Ų | 69.6 | 36% | 0.361 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 178 | -77.1 | -176.9 | 178.7 | -152.9 | 0 | 113.6 | V651 K800 Q801 E802 S807 F808 | V651-K804 HydrophobicContact CG2-CD 4.23Å; V651-K804 HydrophobicContact CG2-CG 3.55Å; K800-K804 WeakPolarHBondContact O-CG 3.23Å; K800-K804 PolarHBondContact O-N 3.36Å; Q801-K804 PolarHBondContact O-N 3.45Å; E802-K804 VanDerWaalsContact C-N 3.35Å; E802-K804 PolarHBondContact O-N 2.76Å; K804-S807 WeakPolarHBondContact CA-OG 3.47Å; K804-S807 PolarHBondContact O-OG 2.92Å; K804-F808 VanDerWaalsContact O-CB 3.28Å; K804-F808 WeakPolarHBondContact O-CB 3.35Å; K804-F808 PolarHBondContact O-N 3.47Å; K804-F808 VanDerWaalsContact O-N 3.15Å |
| 805 | R | 89.5 | Confident | 86.9 | Confident | 139 Ų | 139 | 61.8 Ų | 61.8 | 53% | 0.525 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.9 | -47.6 | -178.8 | -172.4 | -177.7 | 75.9 | -134.9 | -8.8 | 110.6 | Q801 E802 Y803 F808 S809 | Q801-R805 PolarHBondContact O-N 3.4Å; E802-R805 PolarHBondContact O-N 3.5Å; E802-R805 IonicContact OE1-CZ 2.77Å; E802-R805 IonicContact OE1-NH1 3.36Å; E802-R805 PolarHBondContact OE1-NH1 3.43Å; E802-R805 IonicContact OE1-NH2 2.8Å; E802-R805 IonicContact OE2-CZ 2.89Å; E802-R805 IonicContact OE2-NH1 3.17Å; E802-R805 PolarHBondContact OE2-NH1 2.98Å; E802-R805 IonicContact OE2-NH2 3.93Å; E802-R805 PolarHBondContact OE2-NH2 3.48Å; Y803-R805 PolarHBondContact O-N 2.93Å; R805-F808 PolarHBondContact O-N 3.47Å; R805-S809 PolarHBondContact O-N 2.89Å |
| 806 | E | 87.8 | Confident | 88.2 | Confident | 22 Ų | 22 | 63.3 Ų | 63.3 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.8 | -43.7 | -176.7 | -169.2 | 161.6 | -160.6 | 0 | 0 | 111.7 | L785 R792 E802 Y803 F808 S809 M810 | L785-E806 HydrophobicContact CD1-CB 4.28Å; L785-E806 HydrophobicContact CD1-CG 3.8Å; L785-E806 VanDerWaalsContact CD1-OE2 3.28Å; L785-E806 WeakPolarHBondContact CD1-OE2 3.48Å; L785-E806 HydrophobicContact CD2-CB 4.12Å; L785-E806 HydrophobicContact CD2-CG 4.11Å; R792-E806 IonicContact CZ-OE1 3.65Å; R792-E806 IonicContact CZ-OE2 2.61Å; R792-E806 IonicContact NH1-OE1 2.7Å; R792-E806 IonicContact NH1-OE2 3.98Å; R792-E806 PolarHBondContact NH1-OE2 2.96Å; R792-E806 VanDerWaalsContact NH2-CD 3.3Å; R792-E806 IonicContact NH2-OE1 3.73Å; R792-E806 PolarHBondContact NH2-OE1 3.47Å; R792-E806 IonicContact NH2-OE2 3.47Å; R792-E806 PolarHBondContact NH2-OE2 2.99Å; E802-E806 WeakPolarHBondContact O-CB 3.21Å; E802-E806 PolarHBondContact O-N 2.89Å; Y803-E806 PolarHBondContact O-N 3.39Å; E806-F808 PolarHBondContact O-N 3.38Å; E806-S809 WeakPolarHBondContact O-CB 3.39Å; E806-S809 PolarHBondContact O-N 3.15Å; E806-S809 VanDerWaalsContact O-N 3.11Å; E806-M810 HydrophobicContact CG-SD 4.18Å; E806-M810 WeakPolarHBondContact O-CG 3.42Å; E806-M810 PolarHBondContact O-N 2.89Å |
| 807 | S | 90.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.2 | -38.2 | 174.2 | 67.2 | 0 | 0 | 0 | 0 | 112.3 | V651 Q655 M782 Y803 K804 F811 | V651-S807 WeakPolarHBondContact CG1-OG 3.35Å; Q655-S807 PolarHBondContact NE2-O 2.9Å; M782-S807 WeakPolarHBondContact SD-CB 3.47Å; Y803-S807 WeakPolarHBondContact O-CB 3.35Å; Y803-S807 PolarHBondContact O-N 3.18Å; Y803-S807 PolarHBondContact O-OG 2.89Å; K804-S807 WeakPolarHBondContact CA-OG 3.47Å; K804-S807 PolarHBondContact O-OG 2.92Å; S807-F811 VanDerWaalsContact O-CB 3.29Å; S807-F811 WeakPolarHBondContact O-CB 3.42Å; S807-F811 PolarHBondContact O-N 3.35Å |
| 808 | F | 92.7 | Very high | 90 | Very high | 139 Ų | 139 | 52.5 Ų | 52.5 | 61% | 0.61 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -69.7 | -41.3 | 176.9 | -179.9 | -96.7 | 0 | 0 | 0 | 111.6 | K804 R805 E806 F811 A812 | K804-F808 VanDerWaalsContact O-CB 3.28Å; K804-F808 WeakPolarHBondContact O-CB 3.35Å; K804-F808 PolarHBondContact O-N 3.47Å; K804-F808 VanDerWaalsContact O-N 3.15Å; R805-F808 PolarHBondContact O-N 3.47Å; E806-F808 PolarHBondContact O-N 3.38Å; F808-F811 PolarHBondContact O-N 3.4Å; F808-A812 WeakPolarHBondContact O-CB 3.42Å; F808-A812 PolarHBondContact O-N 3.02Å |
| 809 | S | 91.9 | Very high | 90.7 | Very high | 77 Ų | 77 | 50.5 Ų | 50.5 | 54% | 0.538 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 175.8 | -166.2 | 0 | 0 | 0 | 0 | 111.8 | R805 E806 F811 A812 A813 | R805-S809 PolarHBondContact O-N 2.89Å; E806-S809 WeakPolarHBondContact O-CB 3.39Å; E806-S809 PolarHBondContact O-N 3.15Å; E806-S809 VanDerWaalsContact O-N 3.11Å; S809-F811 VanDerWaalsContact C-N 3.35Å; S809-A812 PolarHBondContact O-N 3.31Å; S809-A813 WeakPolarHBondContact O-CB 3.23Å; S809-A813 PolarHBondContact O-N 2.98Å |
| 810 | M | 91.4 | Very high | 91.4 | Very high | 23 Ų | 23 | 51.1 Ų | 51.1 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 175.8 | -67.8 | 166.2 | 66.2 | 0 | 0 | 111.2 | I304 A781 L785 E806 A813 M814 | I304-M810 HydrophobicContact CD1-CE 4.31Å; I304-M810 HydrophobicContact CD1-SD 4.49Å; A781-M810 HydrophobicContact CB-CE 3.33Å; L785-M810 HydrophobicContact CD2-SD 3.91Å; E806-M810 HydrophobicContact CG-SD 4.18Å; E806-M810 WeakPolarHBondContact O-CG 3.42Å; E806-M810 PolarHBondContact O-N 2.89Å; M810-A813 PolarHBondContact O-N 3.24Å; M810-M814 WeakPolarHBondContact O-CB 3.46Å; M810-M814 PolarHBondContact O-N 3.32Å |
| 811 | F | 94.1 | Very high | 91.8 | Very high | 21 Ų | 21 | 53.3 Ų | 53.3 | 9% | 0.092 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 178.3 | -174.1 | -110.4 | 0 | 0 | 0 | 112.9 | Q655 A658 I659 W775 H778 S807 F808 S809 M814 L815 | Q655-F811 HydrophobicContact CB-CD2 3.93Å; Q655-F811 HydrophobicContact CB-CE2 3.83Å; Q655-F811 HydrophobicContact CB-CG 4.42Å; Q655-F811 HydrophobicContact CB-CZ 4.25Å; Q655-F811 HydrophobicContact CG-CB 4.34Å; Q655-F811 HydrophobicContact CG-CD1 4.19Å; Q655-F811 HydrophobicContact CG-CD2 3.87Å; Q655-F811 HydrophobicContact CG-CE1 4.48Å; Q655-F811 HydrophobicContact CG-CE2 4.18Å; Q655-F811 HydrophobicContact CG-CG 3.87Å; Q655-F811 HydrophobicContact CG-CZ 4.48Å; A658-F811 HydrophobicContact CB-CZ 4.25Å; I659-F811 HydrophobicContact CD1-CE2 3.72Å; I659-F811 HydrophobicContact CD1-CZ 3.91Å; I659-F811 HydrophobicContact CG1-CE2 3.63Å; I659-F811 HydrophobicContact CG1-CZ 3.94Å; W775-F811 HydrophobicContact CZ3-CD2 4.34Å; W775-F811 HydrophobicContact CZ3-CE2 4.09Å; H778-F811 AromaticContact NE2-CD2 4Å; S807-F811 VanDerWaalsContact O-CB 3.29Å; S807-F811 WeakPolarHBondContact O-CB 3.42Å; S807-F811 PolarHBondContact O-N 3.35Å; F808-F811 PolarHBondContact O-N 3.4Å; S809-F811 VanDerWaalsContact C-N 3.35Å; F811-M814 HydrophobicContact CD2-CE 3.84Å; F811-M814 HydrophobicContact CE2-CE 3.66Å; F811-M814 PolarHBondContact O-N 2.9Å; F811-L815 HydrophobicContact CD1-CD1 4.08Å; F811-L815 HydrophobicContact CE1-CD1 3.66Å; F811-L815 HydrophobicContact CE1-CG 4.31Å; F811-L815 HydrophobicContact CZ-CD1 4.11Å; F811-L815 HydrophobicContact CZ-CD2 4.41Å; F811-L815 HydrophobicContact CZ-CG 4.38Å; F811-L815 WeakPolarHBondContact O-CG 3.38Å; F811-L815 PolarHBondContact O-N 3.01Å |
| 812 | A | 94.1 | Very high | 92.1 | Very high | 38 Ų | 38 | 48.3 Ų | 48.3 | 31% | 0.314 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F808 S809 M814 L815 E816 | F808-A812 WeakPolarHBondContact O-CB 3.42Å; F808-A812 PolarHBondContact O-N 3.02Å; S809-A812 PolarHBondContact O-N 3.31Å; A812-M814 PolarHBondContact O-N 3.44Å; A812-L815 PolarHBondContact O-N 3.36Å; A812-E816 PolarHBondContact O-N 2.84Å; A812-E816 VanDerWaalsContact O-N 3.07Å |
| 813 | A | 93.1 | Very high | 92.6 | Very high | 55 Ų | 55 | 47.5 Ų | 47.5 | 46% | 0.455 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S809 M810 L815 E816 S817 | S809-A813 WeakPolarHBondContact O-CB 3.23Å; S809-A813 PolarHBondContact O-N 2.98Å; M810-A813 PolarHBondContact O-N 3.24Å; A813-L815 VanDerWaalsContact C-N 3.32Å; A813-L815 PolarHBondContact O-N 3.48Å; A813-E816 PolarHBondContact O-N 3.3Å; A813-E816 VanDerWaalsContact O-N 3.17Å; A813-S817 PolarHBondContact O-N 3.47Å; A813-S817 PolarHBondContact O-OG 3.37Å |
| 814 | M | 94.5 | Very high | 92.8 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.2 | -41.1 | 175.8 | -174.2 | -155.9 | 74.7 | 0 | 0 | 112.3 | I659 L774 W775 H778 M810 F811 A812 S817 L818 | I659-M814 HydrophobicContact CD1-CE 3.53Å; I659-M814 HydrophobicContact CG1-CE 4.36Å; L774-M814 HydrophobicContact CB-CG 3.78Å; L774-M814 HydrophobicContact CB-SD 4.38Å; W775-M814 HydrophobicContact CE3-CE 4.26Å; W775-M814 HydrophobicContact CE3-SD 4.03Å; H778-M814 HydrophobicContact CB-CG 4.25Å; H778-M814 HydrophobicContact CB-SD 3.41Å; H778-M814 WeakPolarHBondContact CB-SD 3.35Å; M810-M814 WeakPolarHBondContact O-CB 3.46Å; M810-M814 PolarHBondContact O-N 3.32Å; F811-M814 HydrophobicContact CD2-CE 3.84Å; F811-M814 HydrophobicContact CE2-CE 3.66Å; F811-M814 PolarHBondContact O-N 2.9Å; A812-M814 PolarHBondContact O-N 3.44Å; M814-S817 PolarHBondContact O-N 3.12Å; M814-L818 WeakPolarHBondContact O-CB 3.11Å; M814-L818 PolarHBondContact O-N 3.01Å |
| 815 | L | 94.2 | Very high | 92.7 | Very high | 40 Ų | 40 | 45.8 Ų | 45.8 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.8 | -36.3 | 177.2 | -69.1 | 177.3 | 0 | 0 | 0 | 112.6 | I659 F811 A812 A813 L818 K819 | I659-L815 HydrophobicContact CD1-CD2 4.13Å; F811-L815 HydrophobicContact CD1-CD1 4.08Å; F811-L815 HydrophobicContact CE1-CD1 3.66Å; F811-L815 HydrophobicContact CE1-CG 4.31Å; F811-L815 HydrophobicContact CZ-CD1 4.11Å; F811-L815 HydrophobicContact CZ-CD2 4.41Å; F811-L815 HydrophobicContact CZ-CG 4.38Å; F811-L815 WeakPolarHBondContact O-CG 3.38Å; F811-L815 PolarHBondContact O-N 3.01Å; A812-L815 PolarHBondContact O-N 3.36Å; A813-L815 VanDerWaalsContact C-N 3.32Å; A813-L815 PolarHBondContact O-N 3.48Å; L815-L818 WeakPolarHBondContact O-CB 3.48Å; L815-L818 PolarHBondContact O-N 3.41Å; L815-K819 WeakPolarHBondContact O-CG 3.43Å; L815-K819 PolarHBondContact O-N 2.81Å |
| 816 | E | 94.7 | Very high | 92.7 | Very high | 99 Ų | 99 | 39.2 Ų | 39.2 | 46% | 0.463 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -70.9 | -39 | 174.1 | -67.4 | -56.6 | 136.5 | 0 | 0 | 111.5 | A812 A813 L818 K819 Y820 | A812-E816 PolarHBondContact O-N 2.84Å; A812-E816 VanDerWaalsContact O-N 3.07Å; A813-E816 PolarHBondContact O-N 3.3Å; A813-E816 VanDerWaalsContact O-N 3.17Å; E816-L818 VanDerWaalsContact C-N 3.31Å; E816-L818 PolarHBondContact O-N 2.88Å; E816-K819 WeakPolarHBondContact O-CB 3.31Å; E816-K819 PolarHBondContact O-N 2.72Å; E816-K819 IonicContact OE1-NZ 2.88Å; E816-K819 PolarHBondContact OE1-NZ 3.03Å; E816-K819 IonicContact OE2-NZ 2.88Å; E816-Y820 PolarHBondContact O-N 3.38Å |
| 817 | S | 93.3 | Very high | 92.7 | Very high | 52 Ų | 52 | 38.5 Ų | 38.5 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.4 | -41.8 | 170.3 | -64.2 | 0 | 0 | 0 | 0 | 111.6 | A813 M814 K819 Y820 E821 | A813-S817 PolarHBondContact O-N 3.47Å; A813-S817 PolarHBondContact O-OG 3.37Å; M814-S817 PolarHBondContact O-N 3.12Å; S817-K819 PolarHBondContact O-N 3.01Å; S817-Y820 PolarHBondContact O-N 2.86Å; S817-E821 WeakPolarHBondContact O-CB 3.25Å; S817-E821 VanDerWaalsContact O-CG 3.3Å; S817-E821 WeakPolarHBondContact O-CG 3.34Å; S817-E821 PolarHBondContact O-N 3.33Å |
| 818 | L | 94.5 | Very high | 92.4 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57 | -49.4 | 175.9 | 172.5 | 65 | 0 | 0 | 0 | 111.4 | T770 L771 L774 M814 L815 E816 Y820 V822 | T770-L818 HydrophobicContact CG2-CD1 3.67Å; L771-L818 HydrophobicContact CB-CD1 3.97Å; L771-L818 HydrophobicContact CB-CD2 4.45Å; L771-L818 HydrophobicContact CD1-CD2 3.58Å; L774-L818 HydrophobicContact CD1-CB 3.71Å; L774-L818 HydrophobicContact CD1-CD1 4.3Å; M814-L818 WeakPolarHBondContact O-CB 3.11Å; M814-L818 PolarHBondContact O-N 3.01Å; L815-L818 WeakPolarHBondContact O-CB 3.48Å; L815-L818 PolarHBondContact O-N 3.41Å; E816-L818 VanDerWaalsContact C-N 3.31Å; E816-L818 PolarHBondContact O-N 2.88Å; L818-Y820 VanDerWaalsContact C-N 3.34Å; L818-Y820 PolarHBondContact O-N 3.1Å; L818-V822 HydrophobicContact CD1-CG2 3.95Å; L818-V822 WeakPolarHBondContact O-CB 3.46Å; L818-V822 WeakPolarHBondContact O-CG2 3.31Å; L818-V822 PolarHBondContact O-N 3.17Å |
| 819 | K | 96.4 | Very high | 91.7 | Very high | 44 Ų | 44 | 38.3 Ų | 38.3 | 19% | 0.191 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.6 | -50.6 | 177 | -71.4 | -177.2 | -172.1 | 175.4 | 0 | 111 | I679 D682 V683 L815 E816 S817 I823 | I679-K819 HydrophobicContact CG1-CG 4.28Å; I679-K819 HydrophobicContact CG2-CB 3.64Å; I679-K819 HydrophobicContact CG2-CG 3.85Å; D682-K819 HydrophobicContact CB-CD 4.43Å; D682-K819 IonicContact OD2-NZ 2.84Å; D682-K819 PolarHBondContact OD2-NZ 3.26Å; V683-K819 HydrophobicContact CG2-CB 3.79Å; V683-K819 WeakPolarHBondContact CG2-O 3.43Å; L815-K819 WeakPolarHBondContact O-CG 3.43Å; L815-K819 PolarHBondContact O-N 2.81Å; E816-K819 WeakPolarHBondContact O-CB 3.31Å; E816-K819 PolarHBondContact O-N 2.72Å; E816-K819 IonicContact OE1-NZ 2.88Å; E816-K819 PolarHBondContact OE1-NZ 3.03Å; E816-K819 IonicContact OE2-NZ 2.88Å; S817-K819 PolarHBondContact O-N 3.01Å; K819-I823 WeakPolarHBondContact O-CG1 3.44Å; K819-I823 PolarHBondContact O-N 2.98Å |
| 820 | Y | 95.3 | Very high | 90.5 | Very high | 40 Ų | 40 | 39.4 Ų | 39.4 | 16% | 0.157 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.6 | -53.6 | -178.3 | -171.4 | -92.5 | 0 | 0 | 0 | 112.3 | V683 R709 D713 F714 E816 S817 L818 V822 I823 S824 | V683-Y820 HydrophobicContact CG1-CD2 3.92Å; V683-Y820 HydrophobicContact CG1-CE2 4.38Å; R709-Y820 PolarHBondContact NE-OH 3.15Å; R709-Y820 PolarHBondContact NH2-OH 2.82Å; D713-Y820 WeakPolarHBondContact CB-OH 3.33Å; D713-Y820 VanDerWaalsContact CG-OH 3.29Å; D713-Y820 PolarHBondContact OD2-OH 3.41Å; F714-Y820 HydrophobicContact CE2-CE2 4.41Å; F714-Y820 HydrophobicContact CZ-CD2 4.38Å; F714-Y820 AromaticContact CZ-CE2 3.7Å; F714-Y820 HydrophobicContact CZ-CE2 3.7Å; F714-Y820 AromaticContact CZ-CZ 3.99Å; E816-Y820 PolarHBondContact O-N 3.38Å; S817-Y820 PolarHBondContact O-N 2.86Å; L818-Y820 VanDerWaalsContact C-N 3.34Å; L818-Y820 PolarHBondContact O-N 3.1Å; Y820-V822 VanDerWaalsContact C-N 3.33Å; Y820-V822 PolarHBondContact O-N 3.19Å; Y820-I823 PolarHBondContact O-N 2.81Å; Y820-S824 VanDerWaalsContact O-CB 3.24Å; Y820-S824 WeakPolarHBondContact O-CB 3.27Å; Y820-S824 PolarHBondContact O-N 3.01Å |
| 821 | E | 92.9 | Very high | 89 | Confident | 83 Ų | 83 | 39.9 Ų | 39.9 | 39% | 0.388 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.4 | -36.9 | -176 | -71.5 | -55.6 | 145.9 | 0 | 0 | 112.3 | T770 S817 T825 | T770-E821 HydrophobicContact CG2-CB 3.57Å; S817-E821 WeakPolarHBondContact O-CB 3.25Å; S817-E821 VanDerWaalsContact O-CG 3.3Å; S817-E821 WeakPolarHBondContact O-CG 3.34Å; S817-E821 PolarHBondContact O-N 3.33Å; E821-T825 WeakPolarHBondContact O-CB 3.43Å; E821-T825 PolarHBondContact O-N 2.65Å; E821-T825 PolarHBondContact O-OG1 3.29Å |
| 822 | V | 93.2 | Very high | 87.1 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.1 | -51.3 | 174.4 | 166.9 | 0 | 0 | 0 | 0 | 110.4 | I676 M767 T770 L818 Y820 T825 L826 | I676-V822 HydrophobicContact CD1-CG1 3.67Å; M767-V822 HydrophobicContact CG-CG1 3.82Å; M767-V822 HydrophobicContact CG-CG2 4.07Å; T770-V822 HydrophobicContact CG2-CG2 4.18Å; L818-V822 HydrophobicContact CD1-CG2 3.95Å; L818-V822 WeakPolarHBondContact O-CB 3.46Å; L818-V822 WeakPolarHBondContact O-CG2 3.31Å; L818-V822 PolarHBondContact O-N 3.17Å; Y820-V822 VanDerWaalsContact C-N 3.33Å; Y820-V822 PolarHBondContact O-N 3.19Å; V822-T825 PolarHBondContact O-N 3.06Å; V822-L826 HydrophobicContact CG1-CD1 3.71Å; V822-L826 HydrophobicContact CG1-CG 4.45Å; V822-L826 WeakPolarHBondContact O-CB 3.05Å; V822-L826 WeakPolarHBondContact O-CG 3.13Å; V822-L826 PolarHBondContact O-N 3.25Å |
| 823 | I | 94.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.4 | -40.4 | -177.6 | -61.3 | -60 | 0 | 0 | 0 | 111.5 | I676 I679 R680 V683 F684 F714 K819 Y820 S827 | I676-I823 HydrophobicContact CG2-CD1 4.23Å; I679-I823 HydrophobicContact CB-CD1 4.42Å; I679-I823 HydrophobicContact CG2-CD1 3.99Å; I679-I823 HydrophobicContact CG2-CG1 3.65Å; R680-I823 HydrophobicContact CB-CD1 3.85Å; R680-I823 HydrophobicContact CB-CG1 4.49Å; R680-I823 HydrophobicContact CG-CG2 4.46Å; V683-I823 HydrophobicContact CB-CB 4.43Å; V683-I823 HydrophobicContact CB-CG1 4.28Å; V683-I823 HydrophobicContact CG1-CB 4.22Å; V683-I823 HydrophobicContact CG1-CG2 4.26Å; V683-I823 HydrophobicContact CG2-CB 4.36Å; V683-I823 HydrophobicContact CG2-CG1 3.98Å; F684-I823 HydrophobicContact CD2-CG2 4.42Å; F684-I823 HydrophobicContact CE2-CG2 3.85Å; F714-I823 HydrophobicContact CD1-CG2 3.94Å; F714-I823 HydrophobicContact CE1-CB 4.3Å; F714-I823 HydrophobicContact CE1-CG2 3.76Å; K819-I823 WeakPolarHBondContact O-CG1 3.44Å; K819-I823 PolarHBondContact O-N 2.98Å; Y820-I823 PolarHBondContact O-N 2.81Å; I823-S827 WeakPolarHBondContact O-CB 3.17Å; I823-S827 PolarHBondContact O-N 3Å; I823-S827 PolarHBondContact O-OG 3.22Å |
| 824 | S | 91.2 | Very high | 83.6 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.5 | -53.1 | 174.2 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | D713 Y820 L826 S827 K828 | D713-S824 WeakPolarHBondContact O-CA 3.48Å; D713-S824 PolarHBondContact O-OG 2.79Å; Y820-S824 VanDerWaalsContact O-CB 3.24Å; Y820-S824 WeakPolarHBondContact O-CB 3.27Å; Y820-S824 PolarHBondContact O-N 3.01Å; S824-L826 PolarHBondContact O-N 3.47Å; S824-S827 PolarHBondContact O-N 2.95Å; S824-K828 WeakPolarHBondContact O-CG 3.28Å; S824-K828 PolarHBondContact O-N 2.95Å; S824-K828 WeakPolarHBondContact OG-CE 3.46Å |
| 825 | T | 86.8 | Confident | 81.7 | Confident | 49 Ų | 49 | 56.7 Ų | 56.7 | 30% | 0.301 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60 | -50.8 | 179.3 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | V766 E821 V822 S827 K828 V829 | V766-T825 HydrophobicContact CG1-CG2 3.85Å; V766-T825 HydrophobicContact CG2-CG2 4.2Å; E821-T825 WeakPolarHBondContact O-CB 3.43Å; E821-T825 PolarHBondContact O-N 2.65Å; E821-T825 PolarHBondContact O-OG1 3.29Å; V822-T825 PolarHBondContact O-N 3.06Å; T825-S827 PolarHBondContact O-N 3.42Å; T825-K828 PolarHBondContact O-N 3.37Å; T825-V829 HydrophobicContact CG2-CG2 4.45Å; T825-V829 WeakPolarHBondContact O-CG2 3.39Å; T825-V829 PolarHBondContact O-N 2.92Å |
| 826 | L | 89.4 | Confident | 79.8 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.5 | -30.9 | 179.5 | -69.9 | 174.4 | 0 | 0 | 0 | 112.6 | I676 Y747 F762 E763 V766 V822 S824 | I676-L826 HydrophobicContact CD1-CD1 3.75Å; I676-L826 HydrophobicContact CG1-CD1 4.5Å; I676-L826 HydrophobicContact CG2-CD1 4.28Å; Y747-L826 HydrophobicContact CE2-CB 3.91Å; F762-L826 HydrophobicContact CD1-CD2 3.81Å; F762-L826 HydrophobicContact CE1-CD2 3.65Å; E763-L826 HydrophobicContact CG-CD1 4.2Å; E763-L826 HydrophobicContact CG-CD2 4.08Å; V766-L826 HydrophobicContact CB-CD2 4.15Å; V766-L826 HydrophobicContact CG1-CD2 4.34Å; V766-L826 HydrophobicContact CG1-CG 4.28Å; V766-L826 HydrophobicContact CG2-CD2 4.03Å; V822-L826 HydrophobicContact CG1-CD1 3.71Å; V822-L826 HydrophobicContact CG1-CG 4.45Å; V822-L826 WeakPolarHBondContact O-CB 3.05Å; V822-L826 WeakPolarHBondContact O-CG 3.13Å; V822-L826 PolarHBondContact O-N 3.25Å; S824-L826 PolarHBondContact O-N 3.47Å |
| 827 | S | 88.4 | Confident | 77.9 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -81.4 | -34.5 | 179.9 | -55.6 | 0 | 0 | 0 | 0 | 112.5 | F714 K750 I823 S824 T825 | F714-S827 VanDerWaalsContact O-CB 3.28Å; F714-S827 WeakPolarHBondContact O-CB 3.34Å; K750-S827 PolarHBondContact NZ-O 2.86Å; I823-S827 WeakPolarHBondContact O-CB 3.17Å; I823-S827 PolarHBondContact O-N 3Å; I823-S827 PolarHBondContact O-OG 3.22Å; S824-S827 PolarHBondContact O-N 2.95Å; T825-S827 PolarHBondContact O-N 3.42Å |
| 828 | K | 84 | Confident | 76.4 | Confident | 92 Ų | 92 | 57.8 Ų | 57.8 | 40% | 0.4 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -75.8 | -23.8 | 177.2 | -69.4 | -177.8 | -165 | -164.2 | 0 | 114.6 | N712 D713 S824 T825 Q830 | N712-K828 WeakPolarHBondContact O-CE 3.37Å; N712-K828 PolarHBondContact O-NZ 2.73Å; D713-K828 WeakPolarHBondContact O-CE 3.36Å; D713-K828 IonicContact OD1-NZ 2.84Å; D713-K828 PolarHBondContact OD1-NZ 3.33Å; D713-K828 VanDerWaalsContact OD1-NZ 3.15Å; S824-K828 WeakPolarHBondContact O-CG 3.28Å; S824-K828 PolarHBondContact O-N 2.95Å; S824-K828 WeakPolarHBondContact OG-CE 3.46Å; T825-K828 PolarHBondContact O-N 3.37Å; K828-Q830 PolarHBondContact O-N 3.12Å; K828-Q830 VanDerWaalsContact O-N 3.07Å |
| 829 | V | 77.9 | Confident | 74.7 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 26% | 0.261 | 30% | 0.298 | S | S | . | . | trans | -64.1 | 114.5 | -178.2 | 172.6 | 0 | 0 | 0 | 0 | 109.8 | K750 F762 T825 V831 | K750-V829 PolarHBondContact NZ-O 2.93Å; F762-V829 HydrophobicContact CE1-CB 4.16Å; F762-V829 HydrophobicContact CE1-CG1 3.99Å; F762-V829 HydrophobicContact CE1-CG2 3.96Å; F762-V829 HydrophobicContact CZ-CB 4.12Å; F762-V829 HydrophobicContact CZ-CG1 3.84Å; F762-V829 HydrophobicContact CZ-CG2 3.56Å; T825-V829 HydrophobicContact CG2-CG2 4.45Å; T825-V829 WeakPolarHBondContact O-CG2 3.39Å; T825-V829 PolarHBondContact O-N 2.92Å; V829-V831 HydrophobicContact CG1-CG2 4.14Å | ||
| 830 | Q | 67.3 | Low | 73.1 | Confident | 101 Ų | 101 | 63.7 Ų | 63.7 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | trans | -91.5 | 104.9 | 172.3 | -67 | -170.2 | -2.9 | 0 | 0 | 108.6 | D715 K828 R832 | D715-Q830 PolarHBondContact OD2-NE2 2.63Å; K828-Q830 PolarHBondContact O-N 3.12Å; K828-Q830 VanDerWaalsContact O-N 3.07Å; Q830-R832 PolarHBondContact O-N 3.44Å; Q830-R832 VanDerWaalsContact OE1-NH2 3.08Å | ||
| 831 | V | 59.2 | Low | 71.4 | Confident | 32 Ų | 32 | 64.1 Ų | 64.1 | 19% | 0.194 | 31% | 0.31 | C | S | . | . | trans | -78.8 | 109.8 | 175.9 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | V754 V829 V837 | V754-V831 HydrophobicContact CG2-CB 3.8Å; V754-V831 HydrophobicContact CG2-CG1 3.38Å; V754-V831 HydrophobicContact CG2-CG2 3.5Å; V829-V831 HydrophobicContact CG1-CG2 4.14Å; V831-V837 HydrophobicContact CG1-CG2 4.25Å | ||
| 832 | R | 54.7 | Low | 70.1 | Confident | 168 Ų | 168 | 65.6 Ų | 65.6 | 63% | 0.634 | 32% | 0.317 | S | S | * | . | trans | -97.9 | -31.2 | 175.3 | -64.7 | -174.9 | 178.4 | -178.8 | 3.3 | 112.8 | Q830 E836 | Q830-R832 PolarHBondContact O-N 3.44Å; Q830-R832 VanDerWaalsContact OE1-NH2 3.08Å; R832-E836 WeakPolarHBondContact CB-OE2 3.08Å; R832-E836 PolarHBondContact N-OE2 3.23Å | ||
| 833 | M | 57.5 | Low | 68.7 | Low | 117 Ų | 117 | 71.1 Ų | 71.1 | 58% | 0.576 | 34% | 0.343 | S | S | * | . | trans | -151.5 | 151.5 | 172.1 | -70.5 | -62.1 | 162.6 | 0 | 0 | 112.3 | E835 E836 | M833-E835 PolarHBondContact O-N 3.06Å; M833-E836 PolarHBondContact O-N 3.12Å; M833-E836 VanDerWaalsContact O-N 3.12Å | ||
| 834 | P | 55.3 | Low | 67.2 | Low | 57 Ų | 57 | 74 Ų | 74 | 37% | 0.37 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -47 | -38.1 | 168.3 | -31.5 | 37.9 | 0 | 0 | 0 | 114.2 | M758 E836 V837 E838 | M758-P834 HydrophobicContact CE-CB 3.93Å; P834-E836 VanDerWaalsContact C-N 3.31Å; P834-E836 PolarHBondContact O-N 3.34Å; P834-V837 PolarHBondContact O-N 2.92Å; P834-E838 PolarHBondContact O-N 3.18Å |
| 835 | E | 55.3 | Low | 65.8 | Low | 141 Ų | 141 | 82 Ų | 82 | 66% | 0.659 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.6 | -34.9 | -179.1 | -63.9 | 179.4 | 169.3 | 0 | 0 | 112.7 | M833 E838 E839 | M833-E835 PolarHBondContact O-N 3.06Å; E835-E838 PolarHBondContact O-N 3.25Å; E835-E839 WeakPolarHBondContact O-CB 3.48Å; E835-E839 WeakPolarHBondContact O-CG 3.47Å; E835-E839 PolarHBondContact O-N 3.47Å |
| 836 | E | 54 | Low | 64.9 | Low | 94 Ų | 94 | 85.2 Ų | 85.2 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.8 | -33.6 | 179.1 | -69.3 | 177.5 | 162.5 | 0 | 0 | 112 | R832 M833 P834 L840 | R832-E836 WeakPolarHBondContact CB-OE2 3.08Å; R832-E836 PolarHBondContact N-OE2 3.23Å; M833-E836 PolarHBondContact O-N 3.12Å; M833-E836 VanDerWaalsContact O-N 3.12Å; P834-E836 VanDerWaalsContact C-N 3.31Å; P834-E836 PolarHBondContact O-N 3.34Å; E836-L840 WeakPolarHBondContact O-CB 3.46Å; E836-L840 PolarHBondContact O-N 3.18Å |
| 837 | V | 55.9 | Low | 63.7 | Low | 13 Ų | 13 | 91.1 Ų | 91.1 | 8% | 0.079 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -70.3 | -42.9 | 175.9 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | M758 F762 V831 P834 L840 E841 | M758-V837 HydrophobicContact CG-CB 4.26Å; M758-V837 HydrophobicContact CG-CG1 3.62Å; M758-V837 HydrophobicContact SD-CB 3.79Å; M758-V837 HydrophobicContact SD-CG1 3.79Å; F762-V837 HydrophobicContact CD2-CG1 4.46Å; V831-V837 HydrophobicContact CG1-CG2 4.25Å; P834-V837 PolarHBondContact O-N 2.92Å; V837-L840 PolarHBondContact O-N 3.29Å; V837-E841 WeakPolarHBondContact O-CG 3.41Å; V837-E841 PolarHBondContact O-N 3.29Å |
| 838 | E | 60.9 | Low | 62.5 | Low | 106 Ų | 106 | 91.4 Ų | 91.4 | 50% | 0.495 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 173.5 | -73.6 | -173.7 | 175.6 | 0 | 0 | 112.4 | P834 E835 E841 Q842 | P834-E838 PolarHBondContact O-N 3.18Å; E835-E838 PolarHBondContact O-N 3.25Å; E838-E841 PolarHBondContact O-N 3.34Å; E838-Q842 WeakPolarHBondContact O-CB 3.36Å; E838-Q842 WeakPolarHBondContact O-CG 3.44Å; E838-Q842 PolarHBondContact O-N 2.97Å |
| 839 | E | 59.7 | Low | 61.6 | Low | 117 Ų | 117 | 93.7 Ų | 93.7 | 55% | 0.547 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 175.8 | -79.3 | -174.8 | 174.3 | 0 | 0 | 111.7 | E835 E841 Q842 Q843 | E835-E839 WeakPolarHBondContact O-CB 3.48Å; E835-E839 WeakPolarHBondContact O-CG 3.47Å; E835-E839 PolarHBondContact O-N 3.47Å; E839-E841 VanDerWaalsContact C-N 3.34Å; E839-E841 PolarHBondContact O-N 3.03Å; E839-Q842 PolarHBondContact O-N 3.46Å; E839-Q843 WeakPolarHBondContact O-CG 3.16Å; E839-Q843 PolarHBondContact O-N 2.89Å |
| 840 | L | 61.7 | Low | 61 | Low | 70 Ų | 70 | 100.1 Ų | 100.1 | 37% | 0.366 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 175.7 | -158.2 | 87.7 | 0 | 0 | 0 | 111.1 | F762 E836 V837 R844 | F762-L840 HydrophobicContact CD2-CD2 4.47Å; F762-L840 HydrophobicContact CE2-CD2 3.73Å; E836-L840 WeakPolarHBondContact O-CB 3.46Å; E836-L840 PolarHBondContact O-N 3.18Å; V837-L840 PolarHBondContact O-N 3.29Å; L840-R844 WeakPolarHBondContact O-CB 3.15Å; L840-R844 WeakPolarHBondContact O-CD 3.24Å; L840-R844 WeakPolarHBondContact O-CG 3.33Å; L840-R844 PolarHBondContact O-N 2.89Å |
| 841 | E | 60.6 | Low | 60.9 | Low | 49 Ų | 49 | 97.7 Ų | 97.7 | 23% | 0.229 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 174 | -77.7 | -169.8 | 176 | 0 | 0 | 112.7 | V837 E838 E839 R844 R845 | V837-E841 WeakPolarHBondContact O-CG 3.41Å; V837-E841 PolarHBondContact O-N 3.29Å; E838-E841 PolarHBondContact O-N 3.34Å; E839-E841 VanDerWaalsContact C-N 3.34Å; E839-E841 PolarHBondContact O-N 3.03Å; E841-R844 WeakPolarHBondContact O-CB 3.35Å; E841-R844 PolarHBondContact O-N 3.1Å; E841-R845 WeakPolarHBondContact O-CG 3.37Å; E841-R845 PolarHBondContact O-N 3.35Å |
| 842 | Q | 64.5 | Low | 61.1 | Low | 115 Ų | 115 | 98.2 Ų | 98.2 | 54% | 0.537 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 176.5 | -75.6 | -178.5 | 14.3 | 0 | 0 | 111.6 | E838 E839 R844 R845 M846 | E838-Q842 WeakPolarHBondContact O-CB 3.36Å; E838-Q842 WeakPolarHBondContact O-CG 3.44Å; E838-Q842 PolarHBondContact O-N 2.97Å; E839-Q842 PolarHBondContact O-N 3.46Å; Q842-R844 VanDerWaalsContact C-N 3.31Å; Q842-R844 PolarHBondContact O-N 3.43Å; Q842-R845 PolarHBondContact O-N 3.04Å; Q842-M846 WeakPolarHBondContact O-CG 3.27Å; Q842-M846 PolarHBondContact O-N 3.28Å |
| 843 | Q | 64.2 | Low | 61.4 | Low | 117 Ų | 117 | 96.7 Ų | 96.7 | 55% | 0.547 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 173.7 | -74.2 | -177.5 | 6.6 | 0 | 0 | 111.2 | E839 M846 E847 | E839-Q843 WeakPolarHBondContact O-CG 3.16Å; E839-Q843 PolarHBondContact O-N 2.89Å; Q843-M846 HydrophobicContact CG-CE 4.37Å; Q843-M846 PolarHBondContact O-N 2.97Å; Q843-E847 WeakPolarHBondContact O-CB 3.38Å; Q843-E847 PolarHBondContact O-N 2.94Å |
| 844 | R | 63.5 | Low | 61.5 | Low | 61 Ų | 61 | 95.7 Ų | 95.7 | 23% | 0.23 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | 175.1 | -75 | 169.2 | 179.4 | -158.5 | -2.6 | 112.4 | L840 E841 Q842 M846 E847 A848 | L840-R844 WeakPolarHBondContact O-CB 3.15Å; L840-R844 WeakPolarHBondContact O-CD 3.24Å; L840-R844 WeakPolarHBondContact O-CG 3.33Å; L840-R844 PolarHBondContact O-N 2.89Å; E841-R844 WeakPolarHBondContact O-CB 3.35Å; E841-R844 PolarHBondContact O-N 3.1Å; Q842-R844 VanDerWaalsContact C-N 3.31Å; Q842-R844 PolarHBondContact O-N 3.43Å; R844-M846 PolarHBondContact O-N 2.69Å; R844-E847 PolarHBondContact O-N 2.89Å; R844-A848 VanDerWaalsContact O-CB 3.23Å; R844-A848 WeakPolarHBondContact O-CB 3.13Å; R844-A848 PolarHBondContact O-N 2.86Å |
| 845 | R | 62 | Low | 61.8 | Low | 172 Ų | 172 | 94 Ų | 94 | 65% | 0.649 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.6 | -42.6 | 175.8 | -75.9 | -177.1 | -176.4 | 178.9 | 5.6 | 111.7 | E841 Q842 A848 E849 | E841-R845 WeakPolarHBondContact O-CG 3.37Å; E841-R845 PolarHBondContact O-N 3.35Å; Q842-R845 PolarHBondContact O-N 3.04Å; R845-A848 PolarHBondContact O-N 3.42Å; R845-E849 WeakPolarHBondContact O-CB 3.31Å; R845-E849 WeakPolarHBondContact O-CG 3.2Å; R845-E849 PolarHBondContact O-N 2.96Å |
| 846 | M | 67.4 | Low | 61.7 | Low | 117 Ų | 117 | 92.5 Ų | 92.5 | 58% | 0.576 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.3 | -41.1 | 177.6 | -72.9 | -169.3 | -70.1 | 0 | 0 | 112.8 | Q842 Q843 R844 E849 R850 | Q842-M846 WeakPolarHBondContact O-CG 3.27Å; Q842-M846 PolarHBondContact O-N 3.28Å; Q843-M846 HydrophobicContact CG-CE 4.37Å; Q843-M846 PolarHBondContact O-N 2.97Å; R844-M846 PolarHBondContact O-N 2.69Å; M846-E849 PolarHBondContact O-N 3.47Å; M846-R850 WeakPolarHBondContact O-CB 3.3Å; M846-R850 PolarHBondContact O-N 2.82Å |
| 847 | E | 64.4 | Low | 61.4 | Low | 126 Ų | 126 | 94.7 Ų | 94.7 | 59% | 0.589 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.9 | -42.7 | 177 | -172.3 | 167.5 | -156.2 | 0 | 0 | 111.3 | Q843 R844 R850 L851 | Q843-E847 WeakPolarHBondContact O-CB 3.38Å; Q843-E847 PolarHBondContact O-N 2.94Å; R844-E847 PolarHBondContact O-N 2.89Å; E847-R850 PolarHBondContact O-N 3.02Å; E847-L851 WeakPolarHBondContact O-CB 3.33Å; E847-L851 PolarHBondContact O-N 2.94Å |
| 848 | A | 63.2 | Low | 60.8 | Low | 12 Ų | 12 | 97 Ų | 97 | 10% | 0.099 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -58.1 | -48.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F193 R844 R845 R850 L851 A852 | F193-A848 HydrophobicContact CD1-CB 4.06Å; F193-A848 HydrophobicContact CD2-CB 3.54Å; F193-A848 HydrophobicContact CE1-CB 3.91Å; F193-A848 HydrophobicContact CE2-CB 3.36Å; F193-A848 HydrophobicContact CG-CB 3.88Å; F193-A848 HydrophobicContact CZ-CB 3.55Å; R844-A848 VanDerWaalsContact O-CB 3.23Å; R844-A848 WeakPolarHBondContact O-CB 3.13Å; R844-A848 PolarHBondContact O-N 2.86Å; R845-A848 PolarHBondContact O-N 3.42Å; A848-R850 VanDerWaalsContact C-N 3.33Å; A848-R850 PolarHBondContact O-N 3.17Å; A848-L851 PolarHBondContact O-N 3.39Å; A848-A852 WeakPolarHBondContact O-CB 3.37Å; A848-A852 PolarHBondContact O-N 3.22Å |
| 849 | E | 64.4 | Low | 60.4 | Low | 139 Ų | 139 | 95.3 Ų | 95.3 | 65% | 0.65 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.5 | -41.7 | 177 | -78.3 | 179.4 | 179.3 | 0 | 0 | 112 | R845 M846 A852 Q853 | R845-E849 WeakPolarHBondContact O-CB 3.31Å; R845-E849 WeakPolarHBondContact O-CG 3.2Å; R845-E849 PolarHBondContact O-N 2.96Å; M846-E849 PolarHBondContact O-N 3.47Å; E849-A852 PolarHBondContact O-N 3.09Å; E849-Q853 WeakPolarHBondContact O-CB 3.34Å; E849-Q853 PolarHBondContact O-N 2.84Å |
| 850 | R | 65.7 | Low | 59.1 | Low | 178 Ų | 178 | 95.7 Ų | 95.7 | 67% | 0.672 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.6 | -43.3 | 176.1 | -173.2 | -179.1 | 179.4 | -172 | -1.3 | 111.4 | M846 E847 A848 Q853 M854 | M846-R850 WeakPolarHBondContact O-CB 3.3Å; M846-R850 PolarHBondContact O-N 2.82Å; E847-R850 PolarHBondContact O-N 3.02Å; A848-R850 VanDerWaalsContact C-N 3.33Å; A848-R850 PolarHBondContact O-N 3.17Å; R850-Q853 PolarHBondContact O-N 3.42Å; R850-M854 WeakPolarHBondContact O-CG 3.3Å; R850-M854 PolarHBondContact O-N 3.45Å; R850-M854 VanDerWaalsContact O-N 3.08Å |
| 851 | L | 65.1 | Low | 57.9 | Low | 51 Ų | 51 | 97.5 Ų | 97.5 | 27% | 0.267 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 178.6 | -133.6 | 150.4 | 0 | 0 | 0 | 111 | L372 E847 A848 Q853 M854 Q855 | L372-L851 HydrophobicContact CD1-CD2 4.07Å; E847-L851 WeakPolarHBondContact O-CB 3.33Å; E847-L851 PolarHBondContact O-N 2.94Å; A848-L851 PolarHBondContact O-N 3.39Å; L851-Q853 PolarHBondContact O-N 2.9Å; L851-M854 PolarHBondContact O-N 3.24Å; L851-Q855 HydrophobicContact CD2-CG 4.34Å; L851-Q855 VanDerWaalsContact O-CG 3.24Å; L851-Q855 WeakPolarHBondContact O-CG 3.48Å; L851-Q855 PolarHBondContact O-N 2.88Å |
| 852 | A | 63.9 | Low | 56.7 | Low | 43 Ų | 43 | 102.1 Ų | 102.1 | 36% | 0.355 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A848 E849 Q855 Q856 | A848-A852 WeakPolarHBondContact O-CB 3.37Å; A848-A852 PolarHBondContact O-N 3.22Å; E849-A852 PolarHBondContact O-N 3.09Å; A852-Q855 PolarHBondContact O-N 3.32Å; A852-Q856 PolarHBondContact O-N 3.03Å |
| 853 | Q | 59.6 | Low | 55.2 | Low | 136 Ų | 136 | 103.5 Ų | 103.5 | 64% | 0.636 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.9 | -38.2 | 177.1 | -164.6 | 176.4 | 31.1 | 0 | 0 | 112.1 | E849 R850 L851 Q856 | E849-Q853 WeakPolarHBondContact O-CB 3.34Å; E849-Q853 PolarHBondContact O-N 2.84Å; R850-Q853 PolarHBondContact O-N 3.42Å; L851-Q853 PolarHBondContact O-N 2.9Å; Q853-Q856 PolarHBondContact O-N 3.33Å |
| 854 | M | 60 | Low | 53.9 | Low | 95 Ų | 95 | 100.1 Ų | 100.1 | 47% | 0.468 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.4 | -34.5 | 175.8 | -71.4 | -176.6 | 69.5 | 0 | 0 | 112.6 | R850 L851 Q856 L857 S858 | R850-M854 WeakPolarHBondContact O-CG 3.3Å; R850-M854 PolarHBondContact O-N 3.45Å; R850-M854 VanDerWaalsContact O-N 3.08Å; L851-M854 PolarHBondContact O-N 3.24Å; M854-Q856 PolarHBondContact O-N 2.98Å; M854-L857 PolarHBondContact O-N 3.47Å; M854-S858 PolarHBondContact O-N 3.1Å |
| 855 | Q | 61.1 | Low | 52.5 | Low | 21 Ų | 21 | 98.6 Ų | 98.6 | 10% | 0.098 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -62.8 | -26.8 | 175.5 | -74.9 | 169.5 | 12.5 | 0 | 0 | 113.1 | M191 I225 L851 A852 L857 H859 | M191-Q855 VanDerWaalsContact CE-NE2 3.27Å; I225-Q855 HydrophobicContact CG2-CG 4.27Å; L851-Q855 HydrophobicContact CD2-CG 4.34Å; L851-Q855 VanDerWaalsContact O-CG 3.24Å; L851-Q855 WeakPolarHBondContact O-CG 3.48Å; L851-Q855 PolarHBondContact O-N 2.88Å; A852-Q855 PolarHBondContact O-N 3.32Å; Q855-L857 PolarHBondContact O-N 3.1Å; Q855-H859 PolarHBondContact O-CD2 3.37Å; Q855-H859 PolarHBondContact O-NE2 3Å |
| 856 | Q | 54.2 | Low | 51.3 | Low | 110 Ų | 110 | 93.1 Ų | 93.1 | 51% | 0.514 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -19.8 | 173.7 | -70.9 | -176.9 | -10.1 | 0 | 0 | 113.2 | A852 Q853 M854 H859 | A852-Q856 PolarHBondContact O-N 3.03Å; Q853-Q856 PolarHBondContact O-N 3.33Å; M854-Q856 PolarHBondContact O-N 2.98Å; Q856-H859 PolarHBondContact O-CD2 3.27Å |
| 857 | L | 47.8 | Very low | 49.8 | Very low | 141 Ų | 141 | 89.7 Ų | 89.7 | 74% | 0.738 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -22.6 | -172.7 | -74.3 | 161.1 | 0 | 0 | 0 | 113.9 | M854 Q855 H859 | M854-L857 PolarHBondContact O-N 3.47Å; Q855-L857 PolarHBondContact O-N 3.1Å; L857-H859 PolarHBondContact O-N 2.96Å |
| 858 | S | 43.5 | Very low | 48.4 | Very low | 62 Ų | 62 | 85.7 Ų | 85.7 | 43% | 0.434 | 46% | 0.463 | S | S | . | . | trans | -76.8 | 18.5 | -175.5 | 57.6 | 0 | 0 | 0 | 0 | 115.2 | M854 | M854-S858 PolarHBondContact O-N 3.1Š| ||
| 859 | H | 51.7 | Low | 47.2 | Very low | 70 Ų | 70 | 87.6 Ų | 87.6 | 32% | 0.324 | 48% | 0.479 | S | S | . | . | trans | -94.7 | 16.8 | -167.1 | -75.5 | -50.8 | 0 | 0 | 0 | 116.7 | R188 Q855 Q856 L857 D861 | R188-H859 PolarHBondContact NH1-CE1 2.93Å; R188-H859 VanDerWaalsContact NH1-CE1 3.32Å; R188-H859 PolarHBondContact NH1-NE2 3.09Å; Q855-H859 PolarHBondContact O-CD2 3.37Å; Q855-H859 PolarHBondContact O-NE2 3Å; Q856-H859 PolarHBondContact O-CD2 3.27Å; L857-H859 PolarHBondContact O-N 2.96Å; H859-D861 PolarHBondContact O-N 3.42Å | ||
| 860 | Q | 32.3 | Very low | 45.8 | Very low | 124 Ų | 124 | 86.3 Ų | 86.3 | 58% | 0.579 | 48% | 0.476 | S | S | * | . | trans | -88.9 | 109.9 | 172.4 | -67 | -175.1 | 6.1 | 0 | 0 | 108.7 | D862 S864 A865 | Q860-D862 PolarHBondContact O-N 3.04Å; Q860-S864 WeakPolarHBondContact CA-OG 3.24Å; Q860-A865 HydrophobicContact CB-CB 3.76Å | ||
| 861 | D | 37.7 | Very low | 44.3 | Very low | 109 Ų | 109 | 80.4 Ų | 80.4 | 58% | 0.583 | 47% | 0.465 | S | S | * | . | trans | -39.5 | 134.8 | 166.6 | -74.7 | -38.9 | 0 | 0 | 0 | 108.4 | H859 D863 S864 A865 | H859-D861 PolarHBondContact O-N 3.42Å; D861-D863 CarbonylContact O-C 3.6Å; D861-D863 PolarHBondContact O-N 3.05Å; D861-S864 PolarHBondContact N-OG 2.77Å; D861-S864 VanDerWaalsContact N-OG 3.15Å; D861-S864 CarbonylContact O-C 3.4Å; D861-S864 WeakPolarHBondContact O-CA 3.32Å; D861-S864 PolarHBondContact O-N 3.02Å; D861-S864 PolarHBondContact O-OG 3.46Å; D861-S864 VanDerWaalsContact O-OG 3.11Å; D861-A865 WeakPolarHBondContact O-CB 3.27Å; D861-A865 PolarHBondContact O-N 3.06Å | ||
| 862 | D | 34.2 | Very low | 43.1 | Very low | 146 Ų | 146 | 81.5 Ų | 81.5 | 78% | 0.781 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -53.1 | -28.9 | 178 | -89.3 | -33.2 | 0 | 0 | 0 | 111.9 | Q860 A866 | Q860-D862 PolarHBondContact O-N 3.04Å; D862-A866 WeakPolarHBondContact O-CA 3.02Å; D862-A866 WeakPolarHBondContact O-CB 3.44Å; D862-A866 PolarHBondContact O-N 3.33Å |
| 863 | D | 33.9 | Very low | 41.7 | Very low | 143 Ų | 143 | 86.5 Ų | 86.5 | 77% | 0.765 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -73.1 | -36.1 | 171.3 | -78.2 | -22.4 | 0 | 0 | 0 | 113.5 | D861 A867 | D861-D863 CarbonylContact O-C 3.6Å; D861-D863 PolarHBondContact O-N 3.05Å; D863-A867 WeakPolarHBondContact O-CB 3.35Å; D863-A867 PolarHBondContact O-N 2.91Å |
| 864 | S | 35.5 | Very low | 40.7 | Very low | 47 Ų | 47 | 85.2 Ų | 85.2 | 33% | 0.329 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -77.1 | -35.7 | 174.8 | 87.1 | 0 | 0 | 0 | 0 | 112.4 | Q860 D861 A867 A868 | Q860-S864 WeakPolarHBondContact CA-OG 3.24Å; D861-S864 PolarHBondContact N-OG 2.77Å; D861-S864 VanDerWaalsContact N-OG 3.15Å; D861-S864 CarbonylContact O-C 3.4Å; D861-S864 WeakPolarHBondContact O-CA 3.32Å; D861-S864 PolarHBondContact O-N 3.02Å; D861-S864 PolarHBondContact O-OG 3.46Å; D861-S864 VanDerWaalsContact O-OG 3.11Å; S864-A867 CarbonylContact O-C 3.54Å; S864-A867 PolarHBondContact O-N 2.9Å; S864-A868 WeakPolarHBondContact O-CA 3.48Å; S864-A868 WeakPolarHBondContact O-CB 3.42Å; S864-A868 PolarHBondContact O-N 3.35Å |
| 865 | A | 35.3 | Very low | 39.4 | Very low | 28 Ų | 28 | 83.1 Ų | 83.1 | 23% | 0.231 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -68.8 | -44.8 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q860 D861 A867 A868 A869 | Q860-A865 HydrophobicContact CB-CB 3.76Å; D861-A865 WeakPolarHBondContact O-CB 3.27Å; D861-A865 PolarHBondContact O-N 3.06Å; A865-A867 PolarHBondContact O-N 3.5Å; A865-A868 PolarHBondContact O-N 2.87Å; A865-A869 WeakPolarHBondContact O-CA 3.31Å; A865-A869 WeakPolarHBondContact O-CB 3.41Å; A865-A869 PolarHBondContact O-N 2.62Å |
| 866 | A | 36.8 | Very low | 38.1 | Very low | 57 Ų | 57 | 90.3 Ų | 90.3 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | D862 L870 | D862-A866 WeakPolarHBondContact O-CA 3.02Å; D862-A866 WeakPolarHBondContact O-CB 3.44Å; D862-A866 PolarHBondContact O-N 3.33Å; A866-L870 VanDerWaalsContact O-CB 3.23Å; A866-L870 WeakPolarHBondContact O-CB 3.42Å; A866-L870 PolarHBondContact O-N 2.8Å |
| 867 | A | 34.6 | Very low | 37.4 | Very low | 45 Ų | 45 | 95.4 Ų | 95.4 | 37% | 0.372 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71 | -35.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D863 S864 A865 A871 | D863-A867 WeakPolarHBondContact O-CB 3.35Å; D863-A867 PolarHBondContact O-N 2.91Å; S864-A867 CarbonylContact O-C 3.54Å; S864-A867 PolarHBondContact O-N 2.9Å; A865-A867 PolarHBondContact O-N 3.5Å; A867-A871 WeakPolarHBondContact O-CB 3.4Å; A867-A871 PolarHBondContact O-N 3.28Å |
| 868 | A | 36.1 | Very low | 37.7 | Very low | 43 Ų | 43 | 97.7 Ų | 97.7 | 36% | 0.355 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -74.6 | -37.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | S864 A865 A871 A872 | S864-A868 WeakPolarHBondContact O-CA 3.48Å; S864-A868 WeakPolarHBondContact O-CB 3.42Å; S864-A868 PolarHBondContact O-N 3.35Å; A865-A868 PolarHBondContact O-N 2.87Å; A868-A871 CarbonylContact O-C 3.58Å; A868-A871 PolarHBondContact O-N 3.29Å; A868-A872 WeakPolarHBondContact O-CB 3.48Å; A868-A872 PolarHBondContact O-N 3.37Å |
| 869 | A | 37.4 | Very low | 39.1 | Very low | 52 Ų | 52 | 97.4 Ų | 97.4 | 43% | 0.43 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67 | -39.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A865 A871 A872 Q873 | A865-A869 WeakPolarHBondContact O-CA 3.31Å; A865-A869 WeakPolarHBondContact O-CB 3.41Å; A865-A869 PolarHBondContact O-N 2.62Å; A869-A871 VanDerWaalsContact C-N 3.34Å; A869-A872 PolarHBondContact O-N 3.07Å; A869-Q873 VanDerWaalsContact O-CB 3.31Å; A869-Q873 WeakPolarHBondContact O-CB 3.4Å; A869-Q873 WeakPolarHBondContact O-CG 3.49Å; A869-Q873 PolarHBondContact O-N 3.18Å |
| 870 | L | 35.2 | Very low | 40.2 | Very low | 112 Ų | 112 | 95.3 Ų | 95.3 | 59% | 0.586 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.3 | -40.6 | 171 | -145.7 | 86.6 | 0 | 0 | 0 | 110.8 | A866 Q873 T874 | A866-L870 VanDerWaalsContact O-CB 3.23Å; A866-L870 WeakPolarHBondContact O-CB 3.42Å; A866-L870 PolarHBondContact O-N 2.8Å; L870-Q873 PolarHBondContact O-N 3.3Å; L870-T874 WeakPolarHBondContact O-CG2 3.38Å; L870-T874 PolarHBondContact O-N 3.01Å; L870-T874 PolarHBondContact O-OG1 2.88Å; L870-T874 VanDerWaalsContact O-OG1 3.13Å |
| 871 | A | 34.1 | Very low | 42.7 | Very low | 54 Ų | 54 | 95.8 Ų | 95.8 | 45% | 0.446 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A867 A868 A869 T874 G875 | A867-A871 WeakPolarHBondContact O-CB 3.4Å; A867-A871 PolarHBondContact O-N 3.28Å; A868-A871 CarbonylContact O-C 3.58Å; A868-A871 PolarHBondContact O-N 3.29Å; A869-A871 VanDerWaalsContact C-N 3.34Å; A871-T874 WeakPolarHBondContact CA-OG1 3.33Å; A871-T874 CarbonylContact O-C 3.56Å; A871-T874 PolarHBondContact O-N 2.82Å; A871-T874 PolarHBondContact O-OG1 2.79Å; A871-G875 WeakPolarHBondContact O-CA 3.34Å; A871-G875 PolarHBondContact O-N 2.9Å |
| 872 | A | 39.2 | Very low | 44.9 | Very low | 74 Ų | 74 | 95 Ų | 95 | 61% | 0.612 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.2 | -36.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A868 A869 T874 G875 | A868-A872 WeakPolarHBondContact O-CB 3.48Å; A868-A872 PolarHBondContact O-N 3.37Å; A869-A872 PolarHBondContact O-N 3.07Å; A872-T874 VanDerWaalsContact C-N 3.35Å; A872-G875 WeakPolarHBondContact O-CA 3.4Å; A872-G875 PolarHBondContact O-N 2.84Å |
| 873 | Q | 36 | Very low | 47.4 | Very low | 148 Ų | 148 | 91 Ų | 91 | 69% | 0.692 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.6 | -31.3 | 170.4 | -81.5 | -174.2 | 7.1 | 0 | 0 | 112.7 | A869 L870 G875 | A869-Q873 VanDerWaalsContact O-CB 3.31Å; A869-Q873 WeakPolarHBondContact O-CB 3.4Å; A869-Q873 WeakPolarHBondContact O-CG 3.49Å; A869-Q873 PolarHBondContact O-N 3.18Å; L870-Q873 PolarHBondContact O-N 3.3Å; Q873-G875 PolarHBondContact O-N 3.21Å |
| 874 | T | 37.4 | Very low | 49.9 | Very low | 109 Ų | 109 | 89.2 Ų | 89.2 | 67% | 0.669 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 2.3 | 167.4 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | L870 A871 A872 E876 | L870-T874 WeakPolarHBondContact O-CG2 3.38Å; L870-T874 PolarHBondContact O-N 3.01Å; L870-T874 PolarHBondContact O-OG1 2.88Å; L870-T874 VanDerWaalsContact O-OG1 3.13Å; A871-T874 WeakPolarHBondContact CA-OG1 3.33Å; A871-T874 CarbonylContact O-C 3.56Å; A871-T874 PolarHBondContact O-N 2.82Å; A871-T874 PolarHBondContact O-OG1 2.79Å; A872-T874 VanDerWaalsContact C-N 3.35Å; T874-E876 PolarHBondContact O-N 2.84Å |
| 875 | G | 32.7 | Very low | 52 | Low | 50 Ų | 50 | 87.3 Ų | 87.3 | 52% | 0.515 | 50% | 0.5 | S | S | . | . | trans | -80.4 | -6.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | A871 A872 Q873 R877 | A871-G875 WeakPolarHBondContact O-CA 3.34Å; A871-G875 PolarHBondContact O-N 2.9Å; A872-G875 WeakPolarHBondContact O-CA 3.4Å; A872-G875 PolarHBondContact O-N 2.84Å; Q873-G875 PolarHBondContact O-N 3.21Å; G875-R877 PolarHBondContact O-N 3.36Å | ||
| 876 | E | 35.5 | Very low | 54.4 | Low | 172 Ų | 172 | 90.5 Ų | 90.5 | 80% | 0.804 | 52% | 0.519 | S | S | * | . | trans | -72.5 | 83.7 | 158.7 | -74.8 | -165.9 | 177 | 0 | 0 | 108.5 | T874 K878 | T874-E876 PolarHBondContact O-N 2.84Å; E876-K878 PolarHBondContact O-N 3.24Å | ||
| 877 | R | 39.5 | Very low | 56.7 | Low | 217 Ų | 217 | 90.9 Ų | 90.9 | 82% | 0.819 | 52% | 0.517 | S | S | * | . | trans | -56.7 | 89.7 | 164.8 | -170.7 | -179.8 | -179.6 | 177.8 | 1.2 | 107.3 | G875 V879 | G875-R877 PolarHBondContact O-N 3.36Å; R877-V879 PolarHBondContact O-N 3.43Å | ||
| 878 | K | 53.7 | Low | 58.9 | Low | 190 Ų | 190 | 92 Ų | 92 | 83% | 0.826 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -48.5 | 118.3 | 173.7 | -78 | -178.7 | 177.6 | 175 | 0 | 107.3 | E876 G880 | E876-K878 PolarHBondContact O-N 3.24Å; K878-G880 PolarHBondContact O-N 3.45Å |
| 879 | V | 72 | Confident | 61.2 | Low | 55 Ų | 55 | 92.2 Ų | 92.2 | 33% | 0.333 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -48.3 | 116.9 | -179.1 | 176.5 | 0 | 0 | 0 | 0 | 108.7 | R877 D883 P886 Y893 | R877-V879 PolarHBondContact O-N 3.43Å; V879-D883 HydrophobicContact CG1-CB 3.87Å; V879-P886 HydrophobicContact CG2-CG 4.11Å; V879-Y893 HydrophobicContact CG1-CD2 4.1Å; V879-Y893 HydrophobicContact CG1-CG 3.93Å |
| 880 | G | 75.9 | Confident | 63.4 | Low | 27 Ų | 27 | 93.5 Ų | 93.5 | 28% | 0.278 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 144.2 | 180 | 0 | 0 | 0 | 0 | 0 | 109.7 | K878 N882 D883 | K878-G880 PolarHBondContact O-N 3.45Å; G880-N882 PolarHBondContact O-N 3.01Å; G880-D883 VanDerWaalsContact CA-OD2 3.29Å; G880-D883 WeakPolarHBondContact CA-OD2 3.49Å; G880-D883 PolarHBondContact N-OD2 2.86Å; G880-D883 WeakPolarHBondContact O-CB 3.47Å; G880-D883 PolarHBondContact O-N 3.07Å |
| 881 | R | 84.2 | Confident | 65.8 | Low | 133 Ų | 133 | 93.9 Ų | 93.9 | 50% | 0.502 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -24 | -177.7 | -72.3 | -169.9 | 73.9 | 146.1 | 5 | 114.2 | K894 | R881-K894 HydrophobicContact CB-CB 4.14Å; R881-K894 VanDerWaalsContact O-CB 3.22Å; R881-K894 WeakPolarHBondContact O-CB 3.43Å; R881-K894 VanDerWaalsContact O-CG 3.22Å; R881-K894 WeakPolarHBondContact O-CG 3.43Å; R881-K894 PolarHBondContact O-N 2.84Å |
| 882 | N | 83.9 | Confident | 68.3 | Low | 93 Ų | 93 | 96.2 Ų | 96.2 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -7 | 178.4 | -69 | -41.4 | 0 | 0 | 0 | 114.4 | G880 K892 K894 | G880-N882 PolarHBondContact O-N 3.01Å; N882-K892 HydrophobicContact CB-CD 4.48Å; N882-K892 WeakPolarHBondContact O-CD 3.44Å; N882-K892 WeakPolarHBondContact O-CG 3.38Å; N882-K894 VanDerWaalsContact OD1-CE 3.3Å; N882-K894 WeakPolarHBondContact OD1-CE 3.47Å; N882-K894 PolarHBondContact OD1-NZ 2.76Å |
| 883 | D | 87.2 | Confident | 70.6 | Confident | 63 Ų | 63 | 96.3 Ų | 96.3 | 34% | 0.337 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -73.5 | 157.3 | -179.6 | -63.9 | -17 | 0 | 0 | 0 | 110.7 | V879 G880 C885 K892 Y893 | V879-D883 HydrophobicContact CG1-CB 3.87Å; G880-D883 VanDerWaalsContact CA-OD2 3.29Å; G880-D883 WeakPolarHBondContact CA-OD2 3.49Å; G880-D883 PolarHBondContact N-OD2 2.86Å; G880-D883 WeakPolarHBondContact O-CB 3.47Å; G880-D883 PolarHBondContact O-N 3.07Å; D883-C885 PolarHBondContact O-N 3.36Å; D883-K892 CarbonylContact O-C 3.56Å; D883-K892 VanDerWaalsContact O-CA 3.28Å; D883-K892 WeakPolarHBondContact O-CA 3.33Å; D883-Y893 PolarHBondContact O-N 3.18Å |
| 884 | P | 84.7 | Confident | 73.1 | Confident | 105 Ų | 105 | 93.1 Ų | 93.1 | 68% | 0.682 | 52% | 0.515 | S | S | * | . | B | Isolated β-bridge | trans | -54.6 | 134.3 | 170.9 | -21.2 | 32.2 | 0 | 0 | 0 | 110.7 | ||
| 885 | C | 81.4 | Confident | 75.4 | Confident | 6 Ų | 6 | 93.5 Ų | 93.5 | 4% | 0.041 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 129.9 | -179.8 | -167.3 | 0 | 0 | 0 | 0 | 110 | D883 C887 G888 K891 C896 H897 | D883-C885 PolarHBondContact O-N 3.36Å; C885-C887 PolarHBondContact O-N 3.4Å; C885-C887 PolarHBondContact SG-SG 3.35Å; C885-G888 PolarHBondContact O-N 3.13Å; C885-G888 VanDerWaalsContact O-N 3.12Å; C885-K891 VanDerWaalsContact CB-O 3.29Å; C885-K891 WeakPolarHBondContact CB-O 3.47Å; C885-K891 PolarHBondContact N-O 3.39Å; C885-C896 HydrophobicContact CB-CB 3.88Å; C885-C896 VanDerWaalsContact SG-SG 3.64Å; C885-H897 PolarHBondContact SG-ND1 3.02Å |
| 886 | P | 85.6 | Confident | 78 | Confident | 96 Ų | 96 | 92.8 Ų | 92.8 | 62% | 0.623 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -12.2 | -173.8 | 24.3 | -35.7 | 0 | 0 | 0 | 114.4 | V879 G888 | V879-P886 HydrophobicContact CG2-CG 4.11Å; P886-G888 PolarHBondContact O-N 3.27Å |
| 887 | C | 83.6 | Confident | 80.4 | Confident | 65 Ų | 65 | 90.7 Ų | 90.7 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 1.3 | 173.1 | 66.5 | 0 | 0 | 0 | 0 | 114.6 | C885 S889 H897 | C885-C887 PolarHBondContact O-N 3.4Å; C885-C887 PolarHBondContact SG-SG 3.35Å; C887-S889 VanDerWaalsContact C-N 3.29Å; C887-S889 PolarHBondContact O-N 3.13Å; C887-S889 VanDerWaalsContact SG-CB 3.53Å; C887-H897 WeakPolarHBondContact CB-CE1 3.36Å; C887-H897 PolarHBondContact SG-CE1 2.9Å; C887-H897 PolarHBondContact SG-ND1 3.48Å; C887-H897 VanDerWaalsContact SG-ND1 3.45Å |
| 888 | G | 80.6 | Confident | 82.6 | Confident | 67 Ų | 67 | 81 Ų | 81 | 69% | 0.691 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 74.9 | 12.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | C885 P886 G890 | C885-G888 PolarHBondContact O-N 3.13Å; C885-G888 VanDerWaalsContact O-N 3.12Å; P886-G888 PolarHBondContact O-N 3.27Å; G888-G890 PolarHBondContact O-N 2.98Å |
| 889 | S | 84.3 | Confident | 83.9 | Confident | 49 Ų | 49 | 81.1 Ų | 81.1 | 34% | 0.343 | 45% | 0.449 | S | S | . | . | trans | -71.8 | -0.1 | -175.4 | 79.5 | 0 | 0 | 0 | 0 | 115.2 | C887 K891 | C887-S889 VanDerWaalsContact C-N 3.29Å; C887-S889 PolarHBondContact O-N 3.13Å; C887-S889 VanDerWaalsContact SG-CB 3.53Å; S889-K891 PolarHBondContact O-N 3.41Å; S889-K891 PolarHBondContact OG-N 2.99Å | ||
| 890 | G | 84.9 | Confident | 84.1 | Confident | 78 Ų | 78 | 84.8 Ų | 84.8 | 80% | 0.804 | 47% | 0.466 | S | S | * | . | S | Bend | trans | 64.9 | 3.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | G888 | G888-G890 PolarHBondContact O-N 2.98Š|
| 891 | K | 86 | Confident | 83.1 | Confident | 120 Ų | 120 | 96.1 Ų | 96.1 | 52% | 0.522 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -99.7 | 156 | -179.6 | -63.7 | 178.3 | -177 | 176.5 | 0 | 110.5 | C885 S889 C896 | C885-K891 VanDerWaalsContact CB-O 3.29Å; C885-K891 WeakPolarHBondContact CB-O 3.47Å; C885-K891 PolarHBondContact N-O 3.39Å; S889-K891 PolarHBondContact O-N 3.41Å; S889-K891 PolarHBondContact OG-N 2.99Å; K891-C896 HydrophobicContact CB-CB 4.28Å |
| 892 | K | 86.5 | Confident | 83.1 | Confident | 104 Ų | 104 | 94.3 Ų | 94.3 | 45% | 0.452 | 51% | 0.512 | S | S | . | . | B | Isolated β-bridge | trans | -63.8 | 145.7 | 168.9 | -62.9 | -174 | 174.9 | -177.8 | 0 | 110.2 | N882 D883 K894 Q895 C896 | N882-K892 HydrophobicContact CB-CD 4.48Å; N882-K892 WeakPolarHBondContact O-CD 3.44Å; N882-K892 WeakPolarHBondContact O-CG 3.38Å; D883-K892 CarbonylContact O-C 3.56Å; D883-K892 VanDerWaalsContact O-CA 3.28Å; D883-K892 WeakPolarHBondContact O-CA 3.33Å; K892-K894 VanDerWaalsContact C-N 3.27Å; K892-K894 HydrophobicContact CB-CG 4.4Å; K892-K894 PolarHBondContact O-N 3.34Å; K892-K894 VanDerWaalsContact O-N 3.17Å; K892-Q895 WeakPolarHBondContact O-CA 3.26Å; K892-Q895 PolarHBondContact O-N 3.01Å; K892-C896 PolarHBondContact O-N 3.34Å |
| 893 | Y | 87.6 | Confident | 83 | Confident | 76 Ų | 76 | 94.4 Ų | 94.4 | 30% | 0.298 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -50.7 | -44.4 | -178.2 | -178.1 | -109.4 | 0 | 0 | 0 | 112.5 | V879 D883 Q895 C896 H897 G898 | V879-Y893 HydrophobicContact CG1-CD2 4.1Å; V879-Y893 HydrophobicContact CG1-CG 3.93Å; D883-Y893 PolarHBondContact O-N 3.18Å; Y893-Q895 PolarHBondContact O-N 3.4Å; Y893-C896 CarbonylContact O-C 3.55Å; Y893-C896 PolarHBondContact O-N 3.12Å; Y893-H897 HydrophobicContact CD2-CB 4.13Å; Y893-H897 HydrophobicContact CE2-CB 3.64Å; Y893-H897 PolarHBondContact O-N 3.2Å; Y893-G898 VanDerWaalsContact O-CA 3.27Å; Y893-G898 WeakPolarHBondContact O-CA 3.31Å; Y893-G898 PolarHBondContact O-N 3.17Å |
| 894 | K | 86.9 | Confident | 82.8 | Confident | 80 Ų | 80 | 96.1 Ų | 96.1 | 35% | 0.348 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -62 | -14.8 | 176.5 | 73.4 | -172 | -174.5 | -175.7 | 0 | 116 | R881 N882 K892 R899 | R881-K894 HydrophobicContact CB-CB 4.14Å; R881-K894 VanDerWaalsContact O-CB 3.22Å; R881-K894 WeakPolarHBondContact O-CB 3.43Å; R881-K894 VanDerWaalsContact O-CG 3.22Å; R881-K894 WeakPolarHBondContact O-CG 3.43Å; R881-K894 PolarHBondContact O-N 2.84Å; N882-K894 VanDerWaalsContact OD1-CE 3.3Å; N882-K894 WeakPolarHBondContact OD1-CE 3.47Å; N882-K894 PolarHBondContact OD1-NZ 2.76Å; K892-K894 VanDerWaalsContact C-N 3.27Å; K892-K894 HydrophobicContact CB-CG 4.4Å; K892-K894 PolarHBondContact O-N 3.34Å; K892-K894 VanDerWaalsContact O-N 3.17Å; K894-R899 WeakPolarHBondContact O-CA 3.39Å |
| 895 | Q | 86.6 | Confident | 82.7 | Confident | 117 Ų | 117 | 95.6 Ų | 95.6 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -107.5 | 3.8 | 178 | -64.9 | -168.3 | -16.9 | 0 | 0 | 112.7 | K892 Y893 | K892-Q895 WeakPolarHBondContact O-CA 3.26Å; K892-Q895 PolarHBondContact O-N 3.01Å; Y893-Q895 PolarHBondContact O-N 3.4Å |
| 896 | C | 88.1 | Confident | 82.7 | Confident | 36 Ų | 36 | 101.2 Ų | 101.2 | 24% | 0.243 | 54% | 0.543 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | -111.1 | 177.1 | -172.8 | 0 | 0 | 0 | 0 | 109 | C885 K891 K892 Y893 G898 R899 | C885-C896 HydrophobicContact CB-CB 3.88Å; C885-C896 VanDerWaalsContact SG-SG 3.64Å; K891-C896 HydrophobicContact CB-CB 4.28Å; K892-C896 PolarHBondContact O-N 3.34Å; Y893-C896 CarbonylContact O-C 3.55Å; Y893-C896 PolarHBondContact O-N 3.12Å; C896-G898 PolarHBondContact O-N 2.66Å; C896-R899 WeakPolarHBondContact O-CB 3.02Å; C896-R899 PolarHBondContact O-N 3.38Å; C896-R899 VanDerWaalsContact O-N 3.11Å |
| 897 | H | 85.1 | Confident | 82.6 | Confident | 127 Ų | 127 | 101.5 Ų | 101.5 | 59% | 0.588 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -22.9 | -176.6 | -71.3 | 84.5 | 0 | 0 | 0 | 114.3 | C885 C887 Y893 | C885-H897 PolarHBondContact SG-ND1 3.02Å; C887-H897 WeakPolarHBondContact CB-CE1 3.36Å; C887-H897 PolarHBondContact SG-CE1 2.9Å; C887-H897 PolarHBondContact SG-ND1 3.48Å; C887-H897 VanDerWaalsContact SG-ND1 3.45Å; Y893-H897 HydrophobicContact CD2-CB 4.13Å; Y893-H897 HydrophobicContact CE2-CB 3.64Å; Y893-H897 PolarHBondContact O-N 3.2Å |
| 898 | G | 85.1 | Confident | 82.5 | Confident | 13 Ų | 13 | 104.1 Ų | 104.1 | 13% | 0.134 | 55% | 0.545 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 17.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y893 C896 L900 | Y893-G898 VanDerWaalsContact O-CA 3.27Å; Y893-G898 WeakPolarHBondContact O-CA 3.31Å; Y893-G898 PolarHBondContact O-N 3.17Å; C896-G898 PolarHBondContact O-N 2.66Å; G898-L900 PolarHBondContact O-N 3.33Å |
| 899 | R | 82.6 | Confident | 82.6 | Confident | 194 Ų | 194 | 107 Ų | 107 | 73% | 0.732 | 53% | 0.534 | S | S | * | . | trans | -73.9 | 113 | 177.2 | -169.6 | 176.8 | -174.9 | 179.6 | 0.9 | 108.9 | K894 C896 Q901 | K894-R899 WeakPolarHBondContact O-CA 3.39Å; C896-R899 WeakPolarHBondContact O-CB 3.02Å; C896-R899 PolarHBondContact O-N 3.38Å; C896-R899 VanDerWaalsContact O-N 3.11Å; R899-Q901 PolarHBondContact O-N 2.79Å | ||
| 900 | L | 75.2 | Confident | 82.5 | Confident | 131 Ų | 131 | 111.8 Ų | 111.8 | 69% | 0.686 | 55% | 0.55 | S | S | * | . | trans | -67.9 | 127.6 | 171.7 | -64.3 | 168.2 | 0 | 0 | 0 | 108 | G898 | G898-L900 PolarHBondContact O-N 3.33Š| ||
| 901 | Q | 55.5 | Low | 82.3 | Confident | 266 Ų | 266 | 114.9 Ų | 114.9 | 100% | 1.243 | 53% | 0.527 | S | S | * | . | trans | -69.2 | 0 | 169.2 | -79.8 | -173.8 | -8.1 | 0 | 0 | 110.7 | R899 | R899-Q901 PolarHBondContact O-N 2.79Š|
Retrieved 901 of 901 residues in 666 ms
(Link to these results)