| 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 | 54.7 | Low | 81.4 | Confident | 202 Ų | 202 | 120.7 Ų | 120.7 | 100% | 0.995 | 63% | 0.626 | S | S | * | * | 0 | -50.6 | 0 | -63.1 | -160.6 | -159.1 | 0 | 0 | 113.3 | N3 E4 A5 | M1-N3 PolarHBondContact O-N 2.89Å; M1-E4 PolarHBondContact O-N 3.11Å; M1-A5 PolarHBondContact O-N 3.49Å | |||
| 2 | L | 62 | Low | 82.2 | Confident | 157 Ų | 157 | 121.5 Ų | 121.5 | 82% | 0.822 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -62.8 | -37.4 | 179.6 | -76.6 | 169 | 0 | 0 | 0 | 114.1 | S6 | L2-S6 PolarHBondContact O-N 3.48Å |
| 3 | N | 76.1 | Confident | 83.1 | Confident | 119 Ų | 119 | 121.1 Ų | 121.1 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.7 | -42.6 | 178.5 | -74.2 | 12.3 | 0 | 0 | 0 | 113 | M1 A5 S6 E7 | M1-N3 PolarHBondContact O-N 2.89Å; N3-A5 VanDerWaalsContact C-N 3.3Å; N3-A5 PolarHBondContact O-N 2.78Å; N3-S6 PolarHBondContact O-N 3.34Å; N3-S6 VanDerWaalsContact O-N 3.1Å; N3-S6 PolarHBondContact O-OG 3.09Å; N3-E7 WeakPolarHBondContact O-CG 2.95Å; N3-E7 PolarHBondContact O-N 2.83Å |
| 4 | E | 80.3 | Confident | 83.8 | Confident | 126 Ų | 126 | 120.4 Ų | 120.4 | 59% | 0.589 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.8 | -38.4 | 180 | -71.2 | 169.1 | 164 | 0 | 0 | 111.9 | M1 E7 L8 | M1-E4 PolarHBondContact O-N 3.11Å; E4-E7 PolarHBondContact O-N 3.12Å; E4-L8 WeakPolarHBondContact O-CB 3.49Å; E4-L8 VanDerWaalsContact O-CG 3.31Å; E4-L8 WeakPolarHBondContact O-CG 3.32Å; E4-L8 PolarHBondContact O-N 2.83Å |
| 5 | A | 83.5 | Confident | 84.4 | Confident | 61 Ų | 61 | 116.1 Ų | 116.1 | 50% | 0.504 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65 | -39.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | M1 N3 Q9 | M1-A5 PolarHBondContact O-N 3.49Å; N3-A5 VanDerWaalsContact C-N 3.3Å; N3-A5 PolarHBondContact O-N 2.78Å; A5-Q9 WeakPolarHBondContact O-CB 3.4Å; A5-Q9 PolarHBondContact O-N 3.39Å |
| 6 | S | 85.2 | Confident | 84.7 | Confident | 63 Ų | 63 | 114.8 Ų | 114.8 | 44% | 0.441 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.3 | -36.6 | 176 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | L2 N3 Q9 F10 | L2-S6 PolarHBondContact O-N 3.48Å; N3-S6 PolarHBondContact O-N 3.34Å; N3-S6 VanDerWaalsContact O-N 3.1Å; N3-S6 PolarHBondContact O-OG 3.09Å; S6-Q9 PolarHBondContact O-N 3.36Å; S6-F10 WeakPolarHBondContact O-CB 3.4Å; S6-F10 PolarHBondContact O-N 3.01Å |
| 7 | E | 88.8 | Confident | 85.1 | Confident | 118 Ų | 118 | 112.8 Ų | 112.8 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.8 | -46.5 | 176.5 | -76.1 | 177.1 | -174.1 | 0 | 0 | 110.7 | N3 E4 Q9 F10 D11 | N3-E7 WeakPolarHBondContact O-CG 2.95Å; N3-E7 PolarHBondContact O-N 2.83Å; E4-E7 PolarHBondContact O-N 3.12Å; E7-Q9 VanDerWaalsContact C-N 3.33Å; E7-Q9 PolarHBondContact O-N 2.91Å; E7-F10 PolarHBondContact O-N 2.93Å; E7-D11 WeakPolarHBondContact O-CB 3.39Å; E7-D11 PolarHBondContact O-N 3.02Å |
| 8 | L | 89.7 | Confident | 85.5 | Confident | 115 Ų | 115 | 111.8 Ų | 111.8 | 60% | 0.602 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.4 | -39.7 | 175 | -72 | 171.9 | 0 | 0 | 0 | 112.3 | E4 D11 L12 | E4-L8 WeakPolarHBondContact O-CB 3.49Å; E4-L8 VanDerWaalsContact O-CG 3.31Å; E4-L8 WeakPolarHBondContact O-CG 3.32Å; E4-L8 PolarHBondContact O-N 2.83Å; L8-D11 PolarHBondContact O-N 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.24Å; L8-L12 VanDerWaalsContact O-CG 3.27Å; L8-L12 WeakPolarHBondContact O-CG 3.3Å; L8-L12 PolarHBondContact O-N 3.26Å |
| 9 | Q | 90.3 | Very high | 85.5 | Confident | 144 Ų | 144 | 111.6 Ų | 111.6 | 67% | 0.673 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.9 | -40.7 | 175.9 | -172.6 | 179.1 | 11.2 | 0 | 0 | 111.6 | A5 S6 E7 F13 | A5-Q9 WeakPolarHBondContact O-CB 3.4Å; A5-Q9 PolarHBondContact O-N 3.39Å; S6-Q9 PolarHBondContact O-N 3.36Å; E7-Q9 VanDerWaalsContact C-N 3.33Å; E7-Q9 PolarHBondContact O-N 2.91Å; Q9-F13 WeakPolarHBondContact O-CB 3.43Å; Q9-F13 PolarHBondContact O-N 3.36Å |
| 10 | F | 92.1 | Very high | 85.3 | Confident | 126 Ų | 126 | 109 Ų | 109 | 55% | 0.553 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.8 | -42.6 | 176.3 | -177.6 | -97.7 | 0 | 0 | 0 | 111.8 | S6 E7 F13 Y14 | S6-F10 WeakPolarHBondContact O-CB 3.4Å; S6-F10 PolarHBondContact O-N 3.01Å; E7-F10 PolarHBondContact O-N 2.93Å; F10-F13 PolarHBondContact O-N 3.26Å; F10-Y14 WeakPolarHBondContact O-CB 3.38Å; F10-Y14 PolarHBondContact O-N 2.82Å |
| 11 | D | 92.6 | Very high | 85.3 | Confident | 97 Ų | 97 | 110.5 Ų | 110.5 | 52% | 0.519 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.8 | -42.5 | 177.3 | -76.6 | -17 | 0 | 0 | 0 | 112 | E7 L8 Y14 A15 | E7-D11 WeakPolarHBondContact O-CB 3.39Å; E7-D11 PolarHBondContact O-N 3.02Å; L8-D11 PolarHBondContact O-N 3.3Å; D11-Y14 PolarHBondContact O-N 3.44Å; D11-A15 VanDerWaalsContact O-CB 3.28Å; D11-A15 WeakPolarHBondContact O-CB 3.32Å; D11-A15 PolarHBondContact O-N 2.88Å |
| 12 | L | 91.6 | Very high | 86.7 | Confident | 130 Ų | 130 | 108.5 Ų | 108.5 | 68% | 0.681 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63 | -44.3 | 174.1 | -73.1 | 174.5 | 0 | 0 | 0 | 111.6 | L8 A15 D16 | L8-L12 WeakPolarHBondContact O-CB 3.24Å; L8-L12 VanDerWaalsContact O-CG 3.27Å; L8-L12 WeakPolarHBondContact O-CG 3.3Å; L8-L12 PolarHBondContact O-N 3.26Å; L12-A15 PolarHBondContact O-N 3.46Å; L12-D16 WeakPolarHBondContact O-CB 3.3Å; L12-D16 PolarHBondContact O-N 3.44Å |
| 13 | F | 93.3 | Very high | 87.3 | Confident | 116 Ų | 116 | 105.3 Ų | 105.3 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 175.6 | 173.5 | -104.9 | 0 | 0 | 0 | 111.7 | Q9 F10 D16 L17 | Q9-F13 WeakPolarHBondContact O-CB 3.43Å; Q9-F13 PolarHBondContact O-N 3.36Å; F10-F13 PolarHBondContact O-N 3.26Å; F13-D16 PolarHBondContact O-N 3.39Å; F13-L17 HydrophobicContact CD1-CD1 3.91Å; F13-L17 HydrophobicContact CD1-CG 4.32Å; F13-L17 HydrophobicContact CE1-CD1 3.25Å; F13-L17 HydrophobicContact CE1-CG 3.9Å; F13-L17 HydrophobicContact CE2-CD1 4.29Å; F13-L17 HydrophobicContact CE2-CD2 4.29Å; F13-L17 HydrophobicContact CE2-CG 4.11Å; F13-L17 HydrophobicContact CZ-CD1 3.48Å; F13-L17 VanDerWaalsContact CZ-CD1 3.48Å; F13-L17 HydrophobicContact CZ-CD2 4.06Å; F13-L17 HydrophobicContact CZ-CG 3.79Å; F13-L17 WeakPolarHBondContact O-CG 3.43Å; F13-L17 PolarHBondContact O-N 3.41Å |
| 14 | Y | 93.3 | Very high | 87.2 | Confident | 111 Ų | 111 | 104.1 Ų | 104.1 | 44% | 0.435 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.3 | -35.2 | 179.8 | -167.9 | -119.9 | 0 | 0 | 0 | 112.3 | F10 D11 L17 K18 | F10-Y14 WeakPolarHBondContact O-CB 3.38Å; F10-Y14 PolarHBondContact O-N 2.82Å; D11-Y14 PolarHBondContact O-N 3.44Å; Y14-L17 PolarHBondContact O-N 3.25Å; Y14-K18 HydrophobicContact CD1-CD 4.19Å; Y14-K18 HydrophobicContact CE1-CD 3.93Å; Y14-K18 WeakPolarHBondContact O-CB 3.09Å; Y14-K18 WeakPolarHBondContact O-CG 3.33Å; Y14-K18 PolarHBondContact O-N 2.9Å; Y14-K18 WeakPolarHBondContact OH-CE 3.43Å |
| 15 | A | 92 | Very high | 87.1 | Confident | 57 Ų | 57 | 101.4 Ų | 101.4 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D11 L12 K18 K19 | D11-A15 VanDerWaalsContact O-CB 3.28Å; D11-A15 WeakPolarHBondContact O-CB 3.32Å; D11-A15 PolarHBondContact O-N 2.88Å; L12-A15 PolarHBondContact O-N 3.46Å; A15-K18 PolarHBondContact O-N 3.02Å; A15-K19 WeakPolarHBondContact O-CB 3.28Å; A15-K19 PolarHBondContact O-N 2.83Å |
| 16 | D | 90.1 | Very high | 86.7 | Confident | 95 Ų | 95 | 101.8 Ų | 101.8 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.1 | -40.2 | 176.3 | -165.3 | 43.9 | 0 | 0 | 0 | 112.2 | L12 F13 K19 T20 | L12-D16 WeakPolarHBondContact O-CB 3.3Å; L12-D16 PolarHBondContact O-N 3.44Å; F13-D16 PolarHBondContact O-N 3.39Å; D16-K19 WeakPolarHBondContact O-CB 3.27Å; D16-K19 PolarHBondContact O-N 3.3Å; D16-T20 WeakPolarHBondContact O-CB 3.25Å; D16-T20 PolarHBondContact O-N 3.19Å; D16-T20 PolarHBondContact O-OG1 2.78Å |
| 17 | L | 91 | Very high | 86.2 | Confident | 80 Ų | 80 | 101.6 Ų | 101.6 | 42% | 0.419 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 172.1 | -78.7 | -174.8 | 0 | 0 | 0 | 111.8 | F13 Y14 K19 T20 E21 | F13-L17 HydrophobicContact CD1-CD1 3.91Å; F13-L17 HydrophobicContact CD1-CG 4.32Å; F13-L17 HydrophobicContact CE1-CD1 3.25Å; F13-L17 HydrophobicContact CE1-CG 3.9Å; F13-L17 HydrophobicContact CE2-CD1 4.29Å; F13-L17 HydrophobicContact CE2-CD2 4.29Å; F13-L17 HydrophobicContact CE2-CG 4.11Å; F13-L17 HydrophobicContact CZ-CD1 3.48Å; F13-L17 VanDerWaalsContact CZ-CD1 3.48Å; F13-L17 HydrophobicContact CZ-CD2 4.06Å; F13-L17 HydrophobicContact CZ-CG 3.79Å; F13-L17 WeakPolarHBondContact O-CG 3.43Å; F13-L17 PolarHBondContact O-N 3.41Å; Y14-L17 PolarHBondContact O-N 3.25Å; L17-K19 VanDerWaalsContact C-N 3.27Å; L17-K19 PolarHBondContact O-N 2.84Å; L17-T20 PolarHBondContact O-N 2.81Å; L17-E21 WeakPolarHBondContact O-CB 3.4Å; L17-E21 PolarHBondContact O-N 2.87Å |
| 18 | K | 91.5 | Very high | 85.9 | Confident | 96 Ų | 96 | 99.2 Ų | 99.2 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -32.4 | 176.4 | -81 | -179.4 | 167.9 | 173.1 | 0 | 112.8 | Y14 A15 R22 | Y14-K18 HydrophobicContact CD1-CD 4.19Å; Y14-K18 HydrophobicContact CE1-CD 3.93Å; Y14-K18 WeakPolarHBondContact O-CB 3.09Å; Y14-K18 WeakPolarHBondContact O-CG 3.33Å; Y14-K18 PolarHBondContact O-N 2.9Å; Y14-K18 WeakPolarHBondContact OH-CE 3.43Å; A15-K18 PolarHBondContact O-N 3.02Å; K18-R22 WeakPolarHBondContact O-CB 3.32Å; K18-R22 PolarHBondContact O-N 2.87Å; K18-R22 PolarHBondContact O-NH1 2.78Å |
| 19 | K | 86.4 | Confident | 85.7 | Confident | 108 Ų | 108 | 95 Ų | 95 | 47% | 0.47 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.9 | -46.5 | 174.1 | -176.2 | 179.6 | 176.3 | -179.2 | 0 | 110.4 | A15 D16 L17 R22 D23 | A15-K19 WeakPolarHBondContact O-CB 3.28Å; A15-K19 PolarHBondContact O-N 2.83Å; D16-K19 WeakPolarHBondContact O-CB 3.27Å; D16-K19 PolarHBondContact O-N 3.3Å; L17-K19 VanDerWaalsContact C-N 3.27Å; L17-K19 PolarHBondContact O-N 2.84Å; K19-R22 PolarHBondContact O-N 3.07Å; K19-D23 PolarHBondContact O-N 3.46Å |
| 20 | T | 82.2 | Confident | 85.5 | Confident | 59 Ų | 59 | 95.3 Ų | 95.3 | 36% | 0.362 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 177.1 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | D16 L17 R22 D23 D24 | D16-T20 WeakPolarHBondContact O-CB 3.25Å; D16-T20 PolarHBondContact O-N 3.19Å; D16-T20 PolarHBondContact O-OG1 2.78Å; L17-T20 PolarHBondContact O-N 2.81Å; T20-R22 VanDerWaalsContact C-N 3.31Å; T20-R22 PolarHBondContact O-N 3.15Å; T20-D23 PolarHBondContact O-N 3.25Å; T20-D23 VanDerWaalsContact O-N 3.14Å; T20-D24 WeakPolarHBondContact O-CB 3.28Å; T20-D24 VanDerWaalsContact O-CG 3.31Å; T20-D24 PolarHBondContact O-N 3.22Å |
| 21 | E | 84.6 | Confident | 85.2 | Confident | 140 Ų | 140 | 93 Ų | 93 | 65% | 0.654 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -57.5 | -43.2 | 176.2 | -175.8 | -176 | -172.6 | 0 | 0 | 111.9 | L17 D24 S25 | L17-E21 WeakPolarHBondContact O-CB 3.4Å; L17-E21 PolarHBondContact O-N 2.87Å; E21-D24 PolarHBondContact O-N 2.82Å; E21-S25 WeakPolarHBondContact O-CB 3.35Å; E21-S25 PolarHBondContact O-N 3.23Å |
| 22 | R | 83.6 | Confident | 84.8 | Confident | 161 Ų | 161 | 88.6 Ų | 88.6 | 61% | 0.608 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.9 | -44.9 | 176.1 | -175 | -177.5 | -72.7 | 98 | -3.9 | 111.4 | K18 K19 T20 S25 | K18-R22 WeakPolarHBondContact O-CB 3.32Å; K18-R22 PolarHBondContact O-N 2.87Å; K18-R22 PolarHBondContact O-NH1 2.78Å; K19-R22 PolarHBondContact O-N 3.07Å; T20-R22 VanDerWaalsContact C-N 3.31Å; T20-R22 PolarHBondContact O-N 3.15Å; R22-S25 PolarHBondContact O-N 3.15Å; R22-S25 PolarHBondContact O-OG 2.6Å |
| 23 | D | 74.3 | Confident | 84.5 | Confident | 89 Ų | 89 | 82.7 Ų | 82.7 | 48% | 0.476 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 179 | -74.4 | -17.2 | 0 | 0 | 0 | 111.1 | K19 T20 S25 T26 | K19-D23 PolarHBondContact O-N 3.46Å; T20-D23 PolarHBondContact O-N 3.25Å; T20-D23 VanDerWaalsContact O-N 3.14Å; D23-S25 PolarHBondContact O-N 3.49Å; D23-T26 PolarHBondContact O-N 3.19Å; D23-T26 VanDerWaalsContact O-N 3.15Å; D23-T26 PolarHBondContact O-OG1 3.48Å |
| 24 | D | 75.1 | Confident | 84.2 | Confident | 95 Ų | 95 | 84.8 Ų | 84.8 | 51% | 0.508 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 177.6 | -74.1 | -14.8 | 0 | 0 | 0 | 112.4 | T20 E21 T26 L27 | T20-D24 WeakPolarHBondContact O-CB 3.28Å; T20-D24 VanDerWaalsContact O-CG 3.31Å; T20-D24 PolarHBondContact O-N 3.22Å; E21-D24 PolarHBondContact O-N 2.82Å; D24-T26 PolarHBondContact O-N 2.95Å; D24-T26 VanDerWaalsContact O-N 3.11Å; D24-L27 PolarHBondContact O-N 3.17Å |
| 25 | S | 78.8 | Confident | 83.6 | Confident | 69 Ų | 69 | 82.1 Ų | 82.1 | 48% | 0.483 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.2 | -26.2 | 174.4 | 79.5 | 0 | 0 | 0 | 0 | 113.2 | E21 R22 D23 T28 N31 | E21-S25 WeakPolarHBondContact O-CB 3.35Å; E21-S25 PolarHBondContact O-N 3.23Å; R22-S25 PolarHBondContact O-N 3.15Å; R22-S25 PolarHBondContact O-OG 2.6Å; D23-S25 PolarHBondContact O-N 3.49Å; S25-T28 PolarHBondContact O-OG1 3Å; S25-N31 PolarHBondContact O-ND2 3.31Å |
| 26 | T | 74.2 | Confident | 83.2 | Confident | 68 Ų | 68 | 79.7 Ų | 79.7 | 42% | 0.417 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -84.5 | -18.3 | 176.4 | 73 | 0 | 0 | 0 | 0 | 113.2 | D23 D24 T28 Q32 | D23-T26 PolarHBondContact O-N 3.19Å; D23-T26 VanDerWaalsContact O-N 3.15Å; D23-T26 PolarHBondContact O-OG1 3.48Å; D24-T26 PolarHBondContact O-N 2.95Å; D24-T26 VanDerWaalsContact O-N 3.11Å; T26-T28 VanDerWaalsContact C-N 3.27Å; T26-T28 PolarHBondContact O-N 3.3Å; T26-Q32 PolarHBondContact O-NE2 3.04Å |
| 27 | L | 74.6 | Confident | 83 | Confident | 59 Ų | 59 | 77.9 Ų | 77.9 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | trans | -89.5 | 25.4 | -174.1 | -160.3 | 61.2 | 0 | 0 | 0 | 113.5 | D24 L68 | D24-L27 PolarHBondContact O-N 3.17Å; L27-L68 HydrophobicContact CD1-CD1 3.85Å; L27-L68 HydrophobicContact CG-CD1 3.91Å | ||
| 28 | T | 83.5 | Confident | 82.6 | Confident | 68 Ų | 68 | 80.6 Ų | 80.6 | 42% | 0.417 | 39% | 0.386 | S | S | . | . | trans | -80.5 | 143.1 | 175.3 | -45.8 | 0 | 0 | 0 | 0 | 111.8 | S25 T26 K30 N31 Q32 | S25-T28 PolarHBondContact O-OG1 3Å; T26-T28 VanDerWaalsContact C-N 3.27Å; T26-T28 PolarHBondContact O-N 3.3Å; T28-K30 VanDerWaalsContact C-N 3.32Å; T28-K30 PolarHBondContact O-N 3.25Å; T28-N31 WeakPolarHBondContact O-CB 3.48Å; T28-N31 PolarHBondContact O-N 2.98Å; T28-Q32 WeakPolarHBondContact O-CG 3.18Å; T28-Q32 PolarHBondContact O-N 2.84Å | ||
| 29 | S | 84.6 | Confident | 81.9 | Confident | 26 Ų | 26 | 81.6 Ų | 81.6 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -51.1 | -46.5 | 178.8 | -53.1 | 0 | 0 | 0 | 0 | 113.5 | N31 Q32 I33 L68 N74 | S29-N31 VanDerWaalsContact C-N 3.33Å; S29-N31 PolarHBondContact O-N 3.07Å; S29-Q32 PolarHBondContact O-N 3Å; S29-Q32 VanDerWaalsContact O-N 3.16Å; S29-I33 WeakPolarHBondContact O-CG1 3.47Å; S29-I33 PolarHBondContact O-N 3.08Å; S29-L68 WeakPolarHBondContact CB-O 3.49Å; S29-L68 PolarHBondContact OG-O 3.2Å; S29-L68 VanDerWaalsContact OG-O 3.09Å; S29-N74 WeakPolarHBondContact CB-OD1 3.31Å |
| 30 | K | 86.7 | Confident | 81.1 | Confident | 151 Ų | 151 | 79.1 Ų | 79.1 | 66% | 0.657 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -57.7 | -43.7 | 176.8 | -64.9 | -174.8 | 179.5 | -177.9 | 0 | 112.4 | T28 I33 Y34 | T28-K30 VanDerWaalsContact C-N 3.32Å; T28-K30 PolarHBondContact O-N 3.25Å; K30-I33 PolarHBondContact O-N 2.8Å; K30-Y34 WeakPolarHBondContact O-CB 3.12Å; K30-Y34 PolarHBondContact O-N 3.09Å |
| 31 | N | 85.3 | Confident | 80.5 | Confident | 79 Ų | 79 | 76.6 Ų | 76.6 | 42% | 0.422 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 178.3 | -71.7 | -15.2 | 0 | 0 | 0 | 111.6 | S25 T28 S29 R35 | S25-N31 PolarHBondContact O-ND2 3.31Å; T28-N31 WeakPolarHBondContact O-CB 3.48Å; T28-N31 PolarHBondContact O-N 2.98Å; S29-N31 VanDerWaalsContact C-N 3.33Å; S29-N31 PolarHBondContact O-N 3.07Å; N31-R35 VanDerWaalsContact O-CB 3.27Å; N31-R35 WeakPolarHBondContact O-CB 3.43Å; N31-R35 PolarHBondContact O-N 2.91Å |
| 32 | Q | 83.9 | Confident | 79.5 | Confident | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.019 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.6 | -44.5 | 177 | -61 | -53.1 | -64.7 | 0 | 0 | 111.8 | T26 T28 S29 R35 L36 L65 L68 V69 | T26-Q32 PolarHBondContact O-NE2 3.04Å; T28-Q32 WeakPolarHBondContact O-CG 3.18Å; T28-Q32 PolarHBondContact O-N 2.84Å; S29-Q32 PolarHBondContact O-N 3Å; S29-Q32 VanDerWaalsContact O-N 3.16Å; Q32-R35 PolarHBondContact O-N 2.96Å; Q32-L36 WeakPolarHBondContact O-CB 3.39Å; Q32-L36 VanDerWaalsContact O-CG 3.27Å; Q32-L36 WeakPolarHBondContact O-CG 3.24Å; Q32-L36 PolarHBondContact O-N 3.1Å; Q32-L65 HydrophobicContact CG-CD2 4.24Å; Q32-L68 HydrophobicContact CG-CD1 4.13Å; Q32-V69 HydrophobicContact CB-CG1 3.71Å |
| 33 | I | 85.5 | Confident | 78.6 | Confident | 6 Ų | 6 | 68.6 Ų | 68.6 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60 | -50.3 | 175.7 | -67.2 | 167.8 | 0 | 0 | 0 | 109.9 | S29 K30 R35 L36 L37 V69 N74 N80 A81 A84 | S29-I33 WeakPolarHBondContact O-CG1 3.47Å; S29-I33 PolarHBondContact O-N 3.08Å; K30-I33 PolarHBondContact O-N 2.8Å; I33-R35 VanDerWaalsContact C-N 3.33Å; I33-R35 PolarHBondContact O-N 2.72Å; I33-L36 PolarHBondContact O-N 2.76Å; I33-L37 HydrophobicContact CG2-CD1 3.85Å; I33-L37 HydrophobicContact CG2-CG 4.45Å; I33-L37 WeakPolarHBondContact O-CB 3.28Å; I33-L37 WeakPolarHBondContact O-CG 3.38Å; I33-L37 PolarHBondContact O-N 3.49Å; I33-V69 HydrophobicContact CG1-CB 4.12Å; I33-V69 HydrophobicContact CG1-CG1 4.08Å; I33-N74 HydrophobicContact CD1-CB 4.21Å; I33-N80 HydrophobicContact CG2-CB 3.73Å; I33-A81 HydrophobicContact CD1-CB 3.83Å; I33-A84 HydrophobicContact CB-CB 4.48Å; I33-A84 HydrophobicContact CG1-CB 4.29Å; I33-A84 HydrophobicContact CG2-CB 4.3Å |
| 34 | Y | 86.2 | Confident | 78 | Confident | 160 Ų | 160 | 65.9 Ų | 65.9 | 63% | 0.627 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59.8 | -42.1 | 178 | -178.1 | -96.7 | 0 | 0 | 0 | 112.4 | K30 L36 L37 R38 | K30-Y34 WeakPolarHBondContact O-CB 3.12Å; K30-Y34 PolarHBondContact O-N 3.09Å; Y34-L36 VanDerWaalsContact C-N 3.33Å; Y34-L36 PolarHBondContact O-N 2.89Å; Y34-L37 PolarHBondContact O-N 2.89Å; Y34-R38 PolarHBondContact O-N 2.91Å |
| 35 | R | 82.4 | Confident | 77.3 | Confident | 54 Ų | 54 | 62.5 Ų | 62.5 | 20% | 0.204 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60 | -44.7 | 176.6 | -171.4 | -176.3 | 79.5 | -144.2 | -8.2 | 111.4 | N31 Q32 I33 F44 | N31-R35 VanDerWaalsContact O-CB 3.27Å; N31-R35 WeakPolarHBondContact O-CB 3.43Å; N31-R35 PolarHBondContact O-N 2.91Å; Q32-R35 PolarHBondContact O-N 2.96Å; I33-R35 VanDerWaalsContact C-N 3.33Å; I33-R35 PolarHBondContact O-N 2.72Å; R35-F44 HydrophobicContact CG-CD1 4.45Å; R35-F44 HydrophobicContact CG-CE1 3.6Å; R35-F44 HydrophobicContact CG-CZ 3.93Å |
| 36 | L | 82.9 | Confident | 76.1 | Confident | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.5 | -32.3 | -177.5 | -69.5 | 169.7 | 0 | 0 | 0 | 112.6 | Q32 I33 Y34 A41 N45 V69 A84 L88 | Q32-L36 WeakPolarHBondContact O-CB 3.39Å; Q32-L36 VanDerWaalsContact O-CG 3.27Å; Q32-L36 WeakPolarHBondContact O-CG 3.24Å; Q32-L36 PolarHBondContact O-N 3.1Å; I33-L36 PolarHBondContact O-N 2.76Å; Y34-L36 VanDerWaalsContact C-N 3.33Å; Y34-L36 PolarHBondContact O-N 2.89Å; L36-A41 WeakPolarHBondContact O-CB 3.4Å; L36-N45 WeakPolarHBondContact CA-ND2 3.35Å; L36-N45 HydrophobicContact CD2-CB 4.03Å; L36-N45 VanDerWaalsContact CD2-CG 3.41Å; L36-N45 WeakPolarHBondContact CD2-OD1 3.45Å; L36-N45 PolarHBondContact O-ND2 2.87Å; L36-V69 HydrophobicContact CD1-CG1 3.91Å; L36-V69 HydrophobicContact CD1-CG2 4.45Å; L36-A84 HydrophobicContact CB-CB 4.01Å; L36-A84 HydrophobicContact CD1-CB 3.85Å; L36-L88 HydrophobicContact CD1-CD1 4.05Å; L36-L88 HydrophobicContact CD1-CD2 4Å; L36-L88 HydrophobicContact CD1-CG 3.79Å; L36-L88 HydrophobicContact CD2-CD2 3.85Å; L36-L88 HydrophobicContact CD2-CG 4.39Å |
| 37 | L | 85.5 | Confident | 75.2 | Confident | 58 Ų | 58 | 58.4 Ų | 58.4 | 30% | 0.304 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -94.5 | 1.1 | -179.4 | -62.6 | -177.6 | 0 | 0 | 0 | 114.7 | I33 Y34 N80 K83 A84 | I33-L37 HydrophobicContact CG2-CD1 3.85Å; I33-L37 HydrophobicContact CG2-CG 4.45Å; I33-L37 WeakPolarHBondContact O-CB 3.28Å; I33-L37 WeakPolarHBondContact O-CG 3.38Å; I33-L37 PolarHBondContact O-N 3.49Å; Y34-L37 PolarHBondContact O-N 2.89Å; L37-N80 HydrophobicContact CD1-CB 3.43Å; L37-N80 VanDerWaalsContact CD1-CB 3.43Å; L37-K83 HydrophobicContact CD1-CB 4.42Å; L37-K83 HydrophobicContact CD2-CB 3.63Å; L37-A84 HydrophobicContact CD2-CB 4.49Å; L37-A84 HydrophobicContact CG-CB 4.37Å |
| 38 | R | 83.9 | Confident | 74.2 | Confident | 136 Ų | 136 | 56.1 Ų | 56.1 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -56.3 | 138.8 | -179.7 | -172.3 | 173.8 | -178.9 | -116.3 | -0.1 | 110.7 | Y34 G40 A41 | Y34-R38 PolarHBondContact O-N 2.91Å; R38-G40 PolarHBondContact O-N 3.11Å; R38-A41 HydrophobicContact CB-CB 4.22Å; R38-A41 WeakPolarHBondContact O-CA 3.38Å; R38-A41 WeakPolarHBondContact O-CB 3.27Å; R38-A41 PolarHBondContact O-N 3.15Å |
| 39 | P | 76 | Confident | 72.6 | Confident | 118 Ų | 118 | 55.4 Ų | 55.4 | 77% | 0.766 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 130.4 | 173 | -27.1 | 35 | 0 | 0 | 0 | 111.4 | A41 | P39-A41 VanDerWaalsContact C-N 3.31Š|
| 40 | G | 68.8 | Low | 71.4 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 57% | 0.567 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 1.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R38 T42 | R38-G40 PolarHBondContact O-N 3.11Å; G40-T42 PolarHBondContact O-N 2.92Å; G40-T42 VanDerWaalsContact O-N 3.11Å |
| 41 | A | 69.6 | Low | 69.5 | Low | 6 Ų | 6 | 53.7 Ų | 53.7 | 5% | 0.05 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.8 | -7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | L36 R38 P39 Y43 F44 N45 | L36-A41 WeakPolarHBondContact O-CB 3.4Å; R38-A41 HydrophobicContact CB-CB 4.22Å; R38-A41 WeakPolarHBondContact O-CA 3.38Å; R38-A41 WeakPolarHBondContact O-CB 3.27Å; R38-A41 PolarHBondContact O-N 3.15Å; P39-A41 VanDerWaalsContact C-N 3.31Å; A41-Y43 PolarHBondContact O-N 2.88Å; A41-F44 HydrophobicContact CB-CB 4.19Å; A41-F44 PolarHBondContact O-N 2.92Å; A41-F44 VanDerWaalsContact O-N 3.08Å; A41-N45 PolarHBondContact O-N 3.26Å; A41-N45 PolarHBondContact O-ND2 3.38Å |
| 42 | T | 64.2 | Low | 67.2 | Low | 95 Ų | 95 | 54.3 Ų | 54.3 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -48.9 | -36.2 | 175.7 | -45.3 | 0 | 0 | 0 | 0 | 112.4 | G40 L46 | G40-T42 PolarHBondContact O-N 2.92Å; G40-T42 VanDerWaalsContact O-N 3.11Å; T42-L46 WeakPolarHBondContact O-CD1 3.4Å; T42-L46 VanDerWaalsContact O-CG 3.29Å; T42-L46 WeakPolarHBondContact O-CG 3.2Å |
| 43 | Y | 64.8 | Low | 64.8 | Low | 38 Ų | 38 | 58.4 Ų | 58.4 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -103.3 | -22.4 | 179.4 | -45.4 | -47.9 | 0 | 0 | 0 | 113.1 | A41 F159 A160 E163 R167 | A41-Y43 PolarHBondContact O-N 2.88Å; Y43-F159 AromaticContact CD1-CD1 3.11Å; Y43-F159 HydrophobicContact CD1-CD1 3.11Å; Y43-F159 AromaticContact CD1-CE1 3.06Å; Y43-F159 HydrophobicContact CD1-CE1 3.06Å; Y43-F159 HydrophobicContact CD1-CG 4.28Å; Y43-F159 HydrophobicContact CD1-CZ 4.18Å; Y43-F159 HydrophobicContact CD2-CD1 4.35Å; Y43-F159 AromaticContact CE1-CD1 3.71Å; Y43-F159 HydrophobicContact CE1-CD1 3.71Å; Y43-F159 AromaticContact CE1-CE1 3.51Å; Y43-F159 HydrophobicContact CE1-CE1 3.51Å; Y43-F159 AromaticContact CG-CD1 3.46Å; Y43-F159 HydrophobicContact CG-CD1 3.46Å; Y43-F159 VanDerWaalsContact CG-CD1 3.46Å; Y43-F159 AromaticContact CG-CE1 3.91Å; Y43-F159 HydrophobicContact CG-CE1 3.91Å; Y43-F159 HydrophobicContact CG-CG 4.34Å; Y43-A160 HydrophobicContact CD2-CB 4.03Å; Y43-A160 HydrophobicContact CE2-CB 4.02Å; Y43-E163 HydrophobicContact CE1-CB 4.14Å; Y43-E163 HydrophobicContact CE1-CG 3.85Å; Y43-E163 WeakPolarHBondContact OH-CG 3.03Å; Y43-R167 PolarHBondContact OH-NH2 3.4Å |
| 44 | F | 61.8 | Low | 62.3 | Low | 33 Ų | 33 | 58.5 Ų | 58.5 | 15% | 0.145 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 176.9 | -171.1 | -74.9 | 0 | 0 | 0 | 110.6 | R35 A41 L46 W152 I156 | R35-F44 HydrophobicContact CG-CD1 4.45Å; R35-F44 HydrophobicContact CG-CE1 3.6Å; R35-F44 HydrophobicContact CG-CZ 3.93Å; A41-F44 HydrophobicContact CB-CB 4.19Å; A41-F44 PolarHBondContact O-N 2.92Å; A41-F44 VanDerWaalsContact O-N 3.08Å; F44-L46 VanDerWaalsContact C-N 3.34Å; F44-L46 PolarHBondContact O-N 3.48Å; F44-W152 HydrophobicContact CD2-CH2 4.02Å; F44-W152 AromaticContact CD2-CZ2 3.55Å; F44-W152 HydrophobicContact CD2-CZ2 3.55Å; F44-W152 HydrophobicContact CE1-CZ2 4.28Å; F44-W152 AromaticContact CE2-CH2 3.4Å; F44-W152 HydrophobicContact CE2-CH2 3.4Å; F44-W152 VanDerWaalsContact CE2-CH2 3.4Å; F44-W152 AromaticContact CE2-CZ2 3.11Å; F44-W152 HydrophobicContact CE2-CZ2 3.11Å; F44-W152 HydrophobicContact CG-CZ2 4.35Å; F44-W152 HydrophobicContact CZ-CH2 4.04Å; F44-W152 AromaticContact CZ-CZ2 3.51Å; F44-W152 HydrophobicContact CZ-CZ2 3.51Å; F44-I156 HydrophobicContact CD2-CD1 4.2Å |
| 45 | N | 59.4 | Low | 60 | Low | 24 Ų | 24 | 56.3 Ų | 56.3 | 13% | 0.128 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -13.9 | -172.9 | -57.1 | -24.9 | 0 | 0 | 0 | 113.8 | L36 A41 N47 V87 | L36-N45 WeakPolarHBondContact CA-ND2 3.35Å; L36-N45 HydrophobicContact CD2-CB 4.03Å; L36-N45 VanDerWaalsContact CD2-CG 3.41Å; L36-N45 WeakPolarHBondContact CD2-OD1 3.45Å; L36-N45 PolarHBondContact O-ND2 2.87Å; A41-N45 PolarHBondContact O-N 3.26Å; A41-N45 PolarHBondContact O-ND2 3.38Å; N45-N47 VanDerWaalsContact C-N 3.32Å; N45-V87 HydrophobicContact CB-CG1 3.91Å; N45-V87 WeakPolarHBondContact ND2-CG1 3.46Å |
| 46 | L | 54.9 | Low | 58 | Low | 36 Ų | 36 | 63.1 Ų | 63.1 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 0.5 | 179 | -67.7 | 177.3 | 0 | 0 | 0 | 112.9 | T42 F44 P48 A91 F159 | T42-L46 WeakPolarHBondContact O-CD1 3.4Å; T42-L46 VanDerWaalsContact O-CG 3.29Å; T42-L46 WeakPolarHBondContact O-CG 3.2Å; F44-L46 VanDerWaalsContact C-N 3.34Å; F44-L46 PolarHBondContact O-N 3.48Å; L46-P48 WeakPolarHBondContact O-CD 3.08Å; L46-A91 HydrophobicContact CD2-CB 4.16Å; L46-F159 HydrophobicContact CD1-CZ 4.07Å |
| 47 | N | 55.3 | Low | 56.1 | Low | 15 Ų | 15 | 65.1 Ų | 65.1 | 8% | 0.08 | 36% | 0.357 | C | S | . | . | trans | -89.1 | 97.9 | 178.2 | -169.2 | 2 | 0 | 0 | 0 | 110 | N45 Y49 D50 | N45-N47 VanDerWaalsContact C-N 3.32Å; N47-Y49 PolarHBondContact O-N 3.31Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.24Å; N47-Y49 WeakPolarHBondContact OD1-CD2 3.37Å; N47-Y49 PolarHBondContact OD1-N 3.24Å; N47-D50 PolarHBondContact O-N 2.89Å | ||
| 48 | P | 53.4 | Low | 54.6 | Low | 11 Ų | 11 | 65 Ų | 65 | 7% | 0.071 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -56.9 | -24.1 | 173.3 | 25 | -34.3 | 0 | 0 | 0 | 111.5 | L46 D50 V54 L95 I104 | L46-P48 WeakPolarHBondContact O-CD 3.08Å; P48-D50 VanDerWaalsContact C-N 3.32Å; P48-D50 PolarHBondContact O-N 2.94Å; P48-V54 HydrophobicContact CB-CG1 3.72Å; P48-V54 WeakPolarHBondContact O-CB 3.35Å; P48-V54 WeakPolarHBondContact O-CG1 3.4Å; P48-V54 WeakPolarHBondContact O-CG2 3.17Å; P48-L95 HydrophobicContact CB-CD1 4Å; P48-L95 HydrophobicContact CB-CD2 3.5Å; P48-L95 HydrophobicContact CB-CG 4.41Å; P48-L95 HydrophobicContact CG-CD2 3.48Å; P48-L95 VanDerWaalsContact CG-CD2 3.48Å; P48-I104 HydrophobicContact CG-CG2 3.85Å |
| 49 | Y | 50.4 | Low | 53.2 | Low | 52 Ų | 52 | 65.2 Ų | 65.2 | 20% | 0.204 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -86.3 | 4.2 | -173.9 | -51 | -72.2 | 0 | 0 | 0 | 114.3 | N47 K51 I104 Y108 | N47-Y49 PolarHBondContact O-N 3.31Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.24Å; N47-Y49 WeakPolarHBondContact OD1-CD2 3.37Å; N47-Y49 PolarHBondContact OD1-N 3.24Å; Y49-K51 PolarHBondContact O-N 3.44Å; Y49-I104 HydrophobicContact CE2-CG2 4.01Å; Y49-Y108 HydrophobicContact CD2-CD1 4.41Å; Y49-Y108 AromaticContact CD2-CD2 3.59Å; Y49-Y108 HydrophobicContact CD2-CD2 3.59Å; Y49-Y108 HydrophobicContact CD2-CE2 4.27Å; Y49-Y108 AromaticContact CD2-CG 3.67Å; Y49-Y108 HydrophobicContact CD2-CG 3.67Å; Y49-Y108 HydrophobicContact CE2-CD1 4.46Å; Y49-Y108 HydrophobicContact CE2-CD2 4.33Å; Y49-Y108 AromaticContact CE2-CG 3.93Å; Y49-Y108 HydrophobicContact CE2-CG 3.93Å; Y49-Y108 AromaticContact CG-CD2 3.86Å; Y49-Y108 HydrophobicContact CG-CD2 3.86Å; Y49-Y108 HydrophobicContact CG-CE2 4.06Å; Y49-Y108 HydrophobicContact CG-CG 4.16Å |
| 50 | D | 57.4 | Low | 52 | Low | 58 Ų | 58 | 65.4 Ų | 65.4 | 31% | 0.31 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -61.4 | -26.2 | -179.4 | -165 | 18.3 | 0 | 0 | 0 | 112.8 | N47 P48 W152 | N47-D50 PolarHBondContact O-N 2.89Å; P48-D50 VanDerWaalsContact C-N 3.32Å; P48-D50 PolarHBondContact O-N 2.94Å; D50-W152 PolarHBondContact OD1-NE1 3.41Å |
| 51 | K | 47 | Very low | 51.6 | Low | 83 Ų | 83 | 65.5 Ų | 65.5 | 36% | 0.361 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -126 | 127.7 | 167.2 | -61.3 | -150.6 | 177.3 | -165.8 | 0 | 110.7 | Y49 T53 V54 F61 | Y49-K51 PolarHBondContact O-N 3.44Å; K51-T53 PolarHBondContact O-N 2.8Å; K51-V54 WeakPolarHBondContact O-CB 3.42Å; K51-V54 VanDerWaalsContact O-CG2 3.3Å; K51-V54 WeakPolarHBondContact O-CG2 3.42Å; K51-V54 PolarHBondContact O-N 2.94Å; K51-F61 HydrophobicContact CD-CE2 3.93Å; K51-F61 HydrophobicContact CD-CZ 4.03Å; K51-F61 HydrophobicContact CG-CZ 4.31Å |
| 52 | P | 36.9 | Very low | 51.4 | Low | 92 Ų | 92 | 66.7 Ų | 66.7 | 60% | 0.597 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -62.6 | -10 | -174.2 | 22.4 | -31.2 | 0 | 0 | 0 | 114.4 | V54 | P52-V54 PolarHBondContact O-N 2.98Š|
| 53 | T | 34.4 | Very low | 51.7 | Low | 91 Ų | 91 | 68.8 Ų | 68.8 | 56% | 0.558 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -65.1 | -19.2 | 172.6 | -33.9 | 0 | 0 | 0 | 0 | 113 | K51 V55 K56 C57 | K51-T53 PolarHBondContact O-N 2.8Å; T53-V55 VanDerWaalsContact C-N 3.3Å; T53-V55 PolarHBondContact O-N 3.31Å; T53-K56 PolarHBondContact O-N 3.48Å; T53-C57 PolarHBondContact O-N 3.48Å; T53-C57 VanDerWaalsContact O-N 3.15Å |
| 54 | V | 32.9 | Very low | 52.3 | Low | 8 Ų | 8 | 71.6 Ų | 71.6 | 5% | 0.048 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -71 | -22.3 | -170.5 | 176.9 | 0 | 0 | 0 | 0 | 113.4 | P48 K51 P52 K56 H58 F61 | P48-V54 HydrophobicContact CB-CG1 3.72Å; P48-V54 WeakPolarHBondContact O-CB 3.35Å; P48-V54 WeakPolarHBondContact O-CG1 3.4Å; P48-V54 WeakPolarHBondContact O-CG2 3.17Å; K51-V54 WeakPolarHBondContact O-CB 3.42Å; K51-V54 VanDerWaalsContact O-CG2 3.3Å; K51-V54 WeakPolarHBondContact O-CG2 3.42Å; K51-V54 PolarHBondContact O-N 2.94Å; P52-V54 PolarHBondContact O-N 2.98Å; V54-K56 PolarHBondContact O-N 3.34Å; V54-H58 WeakPolarHBondContact CG1-CE1 3.39Å; V54-H58 WeakPolarHBondContact CG1-ND1 3.2Å; V54-H58 PolarHBondContact O-CD2 3.37Å; V54-H58 PolarHBondContact O-NE2 2.82Å; V54-F61 HydrophobicContact CG2-CD1 4.48Å |
| 55 | V | 37.2 | Very low | 53.1 | Low | 114 Ų | 114 | 70.3 Ų | 70.3 | 69% | 0.691 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -68.4 | -22 | 173 | -162.3 | 0 | 0 | 0 | 0 | 111.8 | T53 | T53-V55 VanDerWaalsContact C-N 3.3Å; T53-V55 PolarHBondContact O-N 3.31Å |
| 56 | K | 42.3 | Very low | 54.3 | Low | 196 Ų | 196 | 70.5 Ų | 70.5 | 85% | 0.852 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -31.1 | 179.9 | -71.2 | -174.4 | 177.9 | 180 | 0 | 114 | T53 V54 | T53-K56 PolarHBondContact O-N 3.48Å; V54-K56 PolarHBondContact O-N 3.34Å |
| 57 | C | 41.1 | Very low | 55.8 | Low | 49 Ų | 49 | 71.3 Ų | 71.3 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | trans | -153.7 | 76.9 | -177.5 | -90.9 | 0 | 0 | 0 | 0 | 112.8 | T53 H59 L60 | T53-C57 PolarHBondContact O-N 3.48Å; T53-C57 VanDerWaalsContact O-N 3.15Å; C57-H59 PolarHBondContact O-N 3.35Å; C57-L60 HydrophobicContact CB-CB 3.96Å; C57-L60 HydrophobicContact CB-CD1 3.7Å; C57-L60 HydrophobicContact CB-CG 3.79Å; C57-L60 PolarHBondContact O-N 3.07Å; C57-L60 VanDerWaalsContact SG-CD1 3.54Å | ||
| 58 | H | 54.4 | Low | 57.2 | Low | 55 Ų | 55 | 71.8 Ų | 71.8 | 26% | 0.255 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -49.2 | -39.3 | 166.9 | -70.5 | -89.9 | 0 | 0 | 0 | 112.1 | V54 S62 | V54-H58 WeakPolarHBondContact CG1-CE1 3.39Å; V54-H58 WeakPolarHBondContact CG1-ND1 3.2Å; V54-H58 PolarHBondContact O-CD2 3.37Å; V54-H58 PolarHBondContact O-NE2 2.82Å; H58-S62 WeakPolarHBondContact O-CB 3.43Å; H58-S62 PolarHBondContact O-N 3.41Å; H58-S62 PolarHBondContact O-OG 2.87Å |
| 59 | H | 55.3 | Low | 58.8 | Low | 141 Ų | 141 | 71.3 Ų | 71.3 | 65% | 0.653 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.7 | -43.5 | -177.6 | -66.4 | 90.7 | 0 | 0 | 0 | 113.4 | C57 F63 | C57-H59 PolarHBondContact O-N 3.35Å; H59-F63 WeakPolarHBondContact O-CB 3.34Å; H59-F63 PolarHBondContact O-N 3.47Å |
| 60 | L | 50.9 | Low | 60.7 | Low | 121 Ų | 121 | 72.3 Ų | 72.3 | 63% | 0.634 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -70.8 | -43 | -172.8 | -65 | 178.8 | 0 | 0 | 0 | 112.6 | C57 F63 Q64 | C57-L60 HydrophobicContact CB-CB 3.96Å; C57-L60 HydrophobicContact CB-CD1 3.7Å; C57-L60 HydrophobicContact CB-CG 3.79Å; C57-L60 PolarHBondContact O-N 3.07Å; C57-L60 VanDerWaalsContact SG-CD1 3.54Å; L60-F63 PolarHBondContact O-N 2.92Å; L60-Q64 PolarHBondContact O-N 3.11Å |
| 61 | F | 59.9 | Low | 62.3 | Low | 57 Ų | 57 | 70.6 Ų | 70.6 | 25% | 0.25 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 178.9 | -175.7 | -108.5 | 0 | 0 | 0 | 111.4 | K51 V54 F63 Q64 L65 | K51-F61 HydrophobicContact CD-CE2 3.93Å; K51-F61 HydrophobicContact CD-CZ 4.03Å; K51-F61 HydrophobicContact CG-CZ 4.31Å; V54-F61 HydrophobicContact CG2-CD1 4.48Å; F61-F63 VanDerWaalsContact C-N 3.28Å; F61-F63 PolarHBondContact O-N 3.45Å; F61-Q64 PolarHBondContact O-N 2.95Å; F61-L65 HydrophobicContact CD1-CD1 3.81Å; F61-L65 HydrophobicContact CD1-CG 4.32Å; F61-L65 HydrophobicContact CE1-CD1 3.19Å; F61-L65 HydrophobicContact CE1-CG 3.95Å; F61-L65 HydrophobicContact CE2-CD1 4.23Å; F61-L65 HydrophobicContact CE2-CD2 4.41Å; F61-L65 HydrophobicContact CE2-CG 4.15Å; F61-L65 HydrophobicContact CZ-CD1 3.44Å; F61-L65 VanDerWaalsContact CZ-CD1 3.44Å; F61-L65 HydrophobicContact CZ-CD2 4.18Å; F61-L65 HydrophobicContact CZ-CG 3.86Å; F61-L65 WeakPolarHBondContact O-CB 3.41Å; F61-L65 WeakPolarHBondContact O-CG 3.5Å; F61-L65 PolarHBondContact O-N 2.8Å |
| 62 | S | 66.7 | Low | 64.5 | Low | 31 Ų | 31 | 73.1 Ų | 73.1 | 22% | 0.217 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 174.1 | -69.6 | 0 | 0 | 0 | 0 | 111.8 | H58 S66 | H58-S62 WeakPolarHBondContact O-CB 3.43Å; H58-S62 PolarHBondContact O-N 3.41Å; H58-S62 PolarHBondContact O-OG 2.87Å; S62-S66 WeakPolarHBondContact O-CB 3.4Å; S62-S66 PolarHBondContact O-N 2.87Å; S62-S66 PolarHBondContact O-OG 3.19Å |
| 63 | F | 70.3 | Confident | 67 | Low | 140 Ų | 140 | 75 Ų | 75 | 61% | 0.614 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -68.3 | -43.3 | 177.6 | -153.5 | -92.7 | 0 | 0 | 0 | 112.6 | H59 L60 F61 S66 I67 | H59-F63 WeakPolarHBondContact O-CB 3.34Å; H59-F63 PolarHBondContact O-N 3.47Å; L60-F63 PolarHBondContact O-N 2.92Å; F61-F63 VanDerWaalsContact C-N 3.28Å; F61-F63 PolarHBondContact O-N 3.45Å; F63-S66 WeakPolarHBondContact CA-OG 3.38Å; F63-S66 PolarHBondContact O-N 3.08Å; F63-S66 PolarHBondContact O-OG 3.25Å; F63-I67 HydrophobicContact CD1-CD1 3.73Å; F63-I67 HydrophobicContact CD1-CG1 4.38Å; F63-I67 HydrophobicContact CE1-CD1 3.76Å; F63-I67 HydrophobicContact CE1-CG1 4.39Å; F63-I67 WeakPolarHBondContact O-CG1 3.46Å; F63-I67 PolarHBondContact O-N 2.92Å; F63-I67 VanDerWaalsContact O-N 3.13Å |
| 64 | Q | 77.2 | Confident | 69.6 | Low | 96 Ų | 96 | 71.5 Ų | 71.5 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 177.7 | -173.7 | 62.7 | 13.7 | 0 | 0 | 111.5 | L60 F61 I67 L68 | L60-Q64 PolarHBondContact O-N 3.11Å; F61-Q64 PolarHBondContact O-N 2.95Å; Q64-I67 PolarHBondContact O-N 3.38Å; Q64-L68 WeakPolarHBondContact O-CG 3.45Å; Q64-L68 PolarHBondContact O-N 3.37Å |
| 65 | L | 78.5 | Confident | 72.3 | Confident | 6 Ų | 6 | 74.6 Ų | 74.6 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 176.2 | -73.1 | -172.9 | 0 | 0 | 0 | 112.3 | Q32 F61 I67 L68 V69 L88 | Q32-L65 HydrophobicContact CG-CD2 4.24Å; F61-L65 HydrophobicContact CD1-CD1 3.81Å; F61-L65 HydrophobicContact CD1-CG 4.32Å; F61-L65 HydrophobicContact CE1-CD1 3.19Å; F61-L65 HydrophobicContact CE1-CG 3.95Å; F61-L65 HydrophobicContact CE2-CD1 4.23Å; F61-L65 HydrophobicContact CE2-CD2 4.41Å; F61-L65 HydrophobicContact CE2-CG 4.15Å; F61-L65 HydrophobicContact CZ-CD1 3.44Å; F61-L65 VanDerWaalsContact CZ-CD1 3.44Å; F61-L65 HydrophobicContact CZ-CD2 4.18Å; F61-L65 HydrophobicContact CZ-CG 3.86Å; F61-L65 WeakPolarHBondContact O-CB 3.41Å; F61-L65 WeakPolarHBondContact O-CG 3.5Å; F61-L65 PolarHBondContact O-N 2.8Å; L65-I67 VanDerWaalsContact C-N 3.26Å; L65-I67 PolarHBondContact O-N 3.33Å; L65-L68 PolarHBondContact O-N 3.17Å; L65-L68 VanDerWaalsContact O-N 3.15Å; L65-V69 WeakPolarHBondContact O-CG2 3.37Å; L65-V69 PolarHBondContact O-N 3.01Å; L65-L88 HydrophobicContact CB-CD1 3.87Å; L65-L88 HydrophobicContact CD1-CD2 4.16Å |
| 66 | S | 84.1 | Confident | 74.9 | Confident | 29 Ų | 29 | 76.3 Ų | 76.3 | 20% | 0.203 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.7 | -36.4 | -179.9 | 67.8 | 0 | 0 | 0 | 0 | 111.5 | S62 F63 H70 | S62-S66 WeakPolarHBondContact O-CB 3.4Å; S62-S66 PolarHBondContact O-N 2.87Å; S62-S66 PolarHBondContact O-OG 3.19Å; F63-S66 WeakPolarHBondContact CA-OG 3.38Å; F63-S66 PolarHBondContact O-N 3.08Å; F63-S66 PolarHBondContact O-OG 3.25Å; S66-H70 WeakPolarHBondContact O-CB 3.28Å; S66-H70 PolarHBondContact O-N 3.45Å; S66-H70 VanDerWaalsContact O-N 3.13Å |
| 67 | I | 86.1 | Confident | 77.2 | Confident | 52 Ų | 52 | 69.8 Ų | 69.8 | 27% | 0.267 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 173.9 | -68.6 | 168.8 | 0 | 0 | 0 | 110.9 | F63 Q64 L65 V69 K73 | F63-I67 HydrophobicContact CD1-CD1 3.73Å; F63-I67 HydrophobicContact CD1-CG1 4.38Å; F63-I67 HydrophobicContact CE1-CD1 3.76Å; F63-I67 HydrophobicContact CE1-CG1 4.39Å; F63-I67 WeakPolarHBondContact O-CG1 3.46Å; F63-I67 PolarHBondContact O-N 2.92Å; F63-I67 VanDerWaalsContact O-N 3.13Å; Q64-I67 PolarHBondContact O-N 3.38Å; L65-I67 VanDerWaalsContact C-N 3.26Å; L65-I67 PolarHBondContact O-N 3.33Å; I67-V69 PolarHBondContact O-N 3.05Å; I67-K73 HydrophobicContact CG2-CD 3.89Å; I67-K73 VanDerWaalsContact CG2-NZ 3.32Å; I67-K73 WeakPolarHBondContact O-CD 3.34Å |
| 68 | L | 85.7 | Confident | 79.7 | Confident | 26 Ų | 26 | 75.2 Ų | 75.2 | 14% | 0.136 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.7 | -37.4 | -176.6 | -70.8 | 171.8 | 0 | 0 | 0 | 112.7 | L27 S29 Q32 Q64 L65 N74 | L27-L68 HydrophobicContact CD1-CD1 3.85Å; L27-L68 HydrophobicContact CG-CD1 3.91Å; S29-L68 WeakPolarHBondContact CB-O 3.49Å; S29-L68 PolarHBondContact OG-O 3.2Å; S29-L68 VanDerWaalsContact OG-O 3.09Å; Q32-L68 HydrophobicContact CG-CD1 4.13Å; Q64-L68 WeakPolarHBondContact O-CG 3.45Å; Q64-L68 PolarHBondContact O-N 3.37Å; L65-L68 PolarHBondContact O-N 3.17Å; L65-L68 VanDerWaalsContact O-N 3.15Å; L68-N74 PolarHBondContact O-ND2 3.02Å |
| 69 | V | 86.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 5.2 | -176 | -49.2 | 0 | 0 | 0 | 0 | 113.6 | Q32 I33 L36 L65 I67 A81 A84 F85 L88 | Q32-V69 HydrophobicContact CB-CG1 3.71Å; I33-V69 HydrophobicContact CG1-CB 4.12Å; I33-V69 HydrophobicContact CG1-CG1 4.08Å; L36-V69 HydrophobicContact CD1-CG1 3.91Å; L36-V69 HydrophobicContact CD1-CG2 4.45Å; L65-V69 WeakPolarHBondContact O-CG2 3.37Å; L65-V69 PolarHBondContact O-N 3.01Å; I67-V69 PolarHBondContact O-N 3.05Å; V69-A81 CarbonylContact O-C 3.46Å; V69-A81 WeakPolarHBondContact O-CB 3.42Å; V69-A84 HydrophobicContact CB-CB 4.28Å; V69-F85 HydrophobicContact CG2-CB 4.25Å; V69-F85 HydrophobicContact CG2-CD2 4.28Å; V69-L88 HydrophobicContact CG2-CD1 3.37Å; V69-L88 HydrophobicContact CG2-CG 4.4Å |
| 70 | H | 89.8 | Confident | 83.2 | Confident | 74 Ų | 74 | 75.4 Ų | 75.4 | 34% | 0.343 | 37% | 0.374 | S | S | . | . | trans | -62.7 | 137.6 | 179.6 | -164 | -94 | 0 | 0 | 0 | 110.8 | S66 D72 K73 N74 F85 | S66-H70 WeakPolarHBondContact O-CB 3.28Å; S66-H70 PolarHBondContact O-N 3.45Å; S66-H70 VanDerWaalsContact O-N 3.13Å; H70-D72 VanDerWaalsContact C-N 3.26Å; H70-D72 WeakPolarHBondContact ND1-CB 3.41Å; H70-D72 PolarHBondContact ND1-N 2.89Å; H70-D72 PolarHBondContact O-N 3.45Å; H70-K73 PolarHBondContact O-N 3.47Å; H70-K73 VanDerWaalsContact O-N 3.16Å; H70-N74 PolarHBondContact O-N 3.31Å; H70-N74 PolarHBondContact O-ND2 2.67Å; H70-F85 AromaticContact CD2-CE2 3.93Å | ||
| 71 | P | 92.5 | Very high | 85.2 | Confident | 22 Ų | 22 | 69.7 Ų | 69.7 | 14% | 0.143 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -60.7 | -32 | -178.9 | 24.5 | -36.9 | 0 | 0 | 0 | 113.5 | K73 N74 R78 A81 | P71-K73 VanDerWaalsContact C-N 3.35Å; P71-K73 PolarHBondContact O-N 3.05Å; P71-N74 CarbonylContact O-C 3.58Å; P71-N74 PolarHBondContact O-N 3.27Å; P71-R78 HydrophobicContact CB-CB 4.49Å; P71-A81 HydrophobicContact CB-CB 4.4Å |
| 72 | D | 91.8 | Very high | 86.8 | Confident | 135 Ų | 135 | 70.6 Ų | 70.6 | 72% | 0.722 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -64.1 | -37.1 | 176.9 | -170.9 | 57 | 0 | 0 | 0 | 112.9 | H70 N74 | H70-D72 VanDerWaalsContact C-N 3.26Å; H70-D72 WeakPolarHBondContact ND1-CB 3.41Å; H70-D72 PolarHBondContact ND1-N 2.89Å; H70-D72 PolarHBondContact O-N 3.45Å; D72-N74 VanDerWaalsContact C-N 3.3Å; D72-N74 PolarHBondContact O-N 3.41Å |
| 73 | K | 89.5 | Confident | 87.9 | Confident | 132 Ų | 132 | 74 Ų | 74 | 57% | 0.574 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -79 | -14.2 | 178.5 | -68.4 | -146.9 | 175.9 | -164.2 | 0 | 113.7 | I67 H70 P71 P75 | I67-K73 HydrophobicContact CG2-CD 3.89Å; I67-K73 VanDerWaalsContact CG2-NZ 3.32Å; I67-K73 WeakPolarHBondContact O-CD 3.34Å; H70-K73 PolarHBondContact O-N 3.47Å; H70-K73 VanDerWaalsContact O-N 3.16Å; P71-K73 VanDerWaalsContact C-N 3.35Å; P71-K73 PolarHBondContact O-N 3.05Å; K73-P75 WeakPolarHBondContact O-CD 3.4Å |
| 74 | N | 89.5 | Confident | 88.7 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | trans | -123 | 65.2 | -177 | -60.5 | -80.4 | 0 | 0 | 0 | 109.5 | S29 I33 L68 H70 P71 D72 D76 D77 R78 A81 | S29-N74 WeakPolarHBondContact CB-OD1 3.31Å; I33-N74 HydrophobicContact CD1-CB 4.21Å; L68-N74 PolarHBondContact O-ND2 3.02Å; H70-N74 PolarHBondContact O-N 3.31Å; H70-N74 PolarHBondContact O-ND2 2.67Å; P71-N74 CarbonylContact O-C 3.58Å; P71-N74 PolarHBondContact O-N 3.27Å; D72-N74 VanDerWaalsContact C-N 3.3Å; D72-N74 PolarHBondContact O-N 3.41Å; N74-D76 PolarHBondContact O-N 3.44Å; N74-D77 CarbonylContact O-C 3.4Å; N74-D77 PolarHBondContact O-N 3.33Å; N74-D77 VanDerWaalsContact O-N 3.09Å; N74-R78 PolarHBondContact O-N 3.25Å; N74-A81 HydrophobicContact CB-CB 3.97Å | ||
| 75 | P | 89.3 | Confident | 89.3 | Confident | 73 Ų | 73 | 65.4 Ų | 65.4 | 47% | 0.474 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -62.6 | -26 | -174.1 | 26.4 | -35.6 | 0 | 0 | 0 | 113.1 | K73 R78 | K73-P75 WeakPolarHBondContact O-CD 3.4Å; P75-R78 WeakPolarHBondContact O-CG 3.21Å; P75-R78 PolarHBondContact O-NE 3.46Å |
| 76 | D | 91.7 | Very high | 89.7 | Confident | 150 Ų | 150 | 68.9 Ų | 68.9 | 80% | 0.802 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -74.9 | -24.8 | 178.6 | -56.8 | -28.6 | 0 | 0 | 0 | 113.3 | N74 | N74-D76 PolarHBondContact O-N 3.44Š|
| 77 | D | 90.9 | Very high | 89.7 | Confident | 59 Ų | 59 | 69.8 Ų | 69.8 | 32% | 0.316 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -137.9 | 47.8 | -172 | -165.6 | 14.6 | 0 | 0 | 0 | 111.9 | N74 E79 N80 A81 | N74-D77 CarbonylContact O-C 3.4Å; N74-D77 PolarHBondContact O-N 3.33Å; N74-D77 VanDerWaalsContact O-N 3.09Å; D77-E79 VanDerWaalsContact C-N 3.31Å; D77-E79 PolarHBondContact O-N 2.95Å; D77-N80 PolarHBondContact O-N 3.22Å; D77-N80 VanDerWaalsContact OD1-CB 3.23Å; D77-N80 WeakPolarHBondContact OD1-CB 3.47Å; D77-N80 VanDerWaalsContact OD1-CG 3.3Å; D77-N80 PolarHBondContact OD1-ND2 3.1Å; D77-N80 WeakPolarHBondContact OD2-CB 3.4Å; D77-N80 PolarHBondContact OD2-ND2 3.16Å; D77-A81 WeakPolarHBondContact O-CB 3.37Å; D77-A81 PolarHBondContact O-N 2.88Å |
| 78 | R | 92.2 | Very high | 89.5 | Confident | 163 Ų | 163 | 68.6 Ų | 68.6 | 62% | 0.615 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.5 | -38 | -173.2 | -62.5 | -173.1 | -152.7 | 178.1 | 1.5 | 113.3 | P71 N74 P75 Q82 | P71-R78 HydrophobicContact CB-CB 4.49Å; N74-R78 PolarHBondContact O-N 3.25Å; P75-R78 WeakPolarHBondContact O-CG 3.21Å; P75-R78 PolarHBondContact O-NE 3.46Å; R78-Q82 WeakPolarHBondContact O-CB 3.43Å; R78-Q82 PolarHBondContact O-N 2.86Å |
| 79 | E | 93.2 | Very high | 89.4 | Confident | 146 Ų | 146 | 72.8 Ų | 72.8 | 68% | 0.682 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.7 | -45.9 | -177.5 | -67.7 | -170.7 | -177.7 | 0 | 0 | 112.1 | D77 Q82 K83 | D77-E79 VanDerWaalsContact C-N 3.31Å; D77-E79 PolarHBondContact O-N 2.95Å; E79-Q82 PolarHBondContact O-N 3.15Å; E79-K83 VanDerWaalsContact O-CG 3.32Å; E79-K83 WeakPolarHBondContact O-CG 3.46Å; E79-K83 PolarHBondContact O-N 2.65Å |
| 80 | N | 91.7 | Very high | 89.3 | Confident | 55 Ų | 55 | 79 Ų | 79 | 29% | 0.294 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -73.4 | -36.7 | 178.6 | -67 | -38.4 | 0 | 0 | 0 | 111 | I33 L37 D77 Q82 K83 A84 | I33-N80 HydrophobicContact CG2-CB 3.73Å; L37-N80 HydrophobicContact CD1-CB 3.43Å; L37-N80 VanDerWaalsContact CD1-CB 3.43Å; D77-N80 PolarHBondContact O-N 3.22Å; D77-N80 VanDerWaalsContact OD1-CB 3.23Å; D77-N80 WeakPolarHBondContact OD1-CB 3.47Å; D77-N80 VanDerWaalsContact OD1-CG 3.3Å; D77-N80 PolarHBondContact OD1-ND2 3.1Å; D77-N80 WeakPolarHBondContact OD2-CB 3.4Å; D77-N80 PolarHBondContact OD2-ND2 3.16Å; N80-Q82 VanDerWaalsContact C-N 3.33Å; N80-Q82 PolarHBondContact O-N 3.38Å; N80-K83 PolarHBondContact O-N 3.41Å; N80-A84 VanDerWaalsContact O-CB 3.28Å; N80-A84 WeakPolarHBondContact O-CB 3.43Å; N80-A84 PolarHBondContact O-N 2.95Å |
| 81 | A | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.8 | -46.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I33 V69 P71 N74 D77 A84 F85 | I33-A81 HydrophobicContact CD1-CB 3.83Å; V69-A81 CarbonylContact O-C 3.46Å; V69-A81 WeakPolarHBondContact O-CB 3.42Å; P71-A81 HydrophobicContact CB-CB 4.4Å; N74-A81 HydrophobicContact CB-CB 3.97Å; D77-A81 WeakPolarHBondContact O-CB 3.37Å; D77-A81 PolarHBondContact O-N 2.88Å; A81-A84 PolarHBondContact O-N 3.35Å; A81-F85 WeakPolarHBondContact O-CB 3.37Å; A81-F85 PolarHBondContact O-N 2.97Å |
| 82 | Q | 92.8 | Very high | 88.2 | Confident | 77 Ų | 77 | 77.3 Ų | 77.3 | 36% | 0.36 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 175.7 | -174.5 | 62 | 53.3 | 0 | 0 | 111.8 | R78 E79 N80 A84 F85 D86 | R78-Q82 WeakPolarHBondContact O-CB 3.43Å; R78-Q82 PolarHBondContact O-N 2.86Å; E79-Q82 PolarHBondContact O-N 3.15Å; N80-Q82 VanDerWaalsContact C-N 3.33Å; N80-Q82 PolarHBondContact O-N 3.38Å; Q82-A84 VanDerWaalsContact C-N 3.3Å; Q82-A84 PolarHBondContact O-N 3.27Å; Q82-F85 WeakPolarHBondContact O-CB 3.35Å; Q82-F85 PolarHBondContact O-N 2.97Å; Q82-D86 PolarHBondContact NE2-OD1 3.48Å; Q82-D86 VanDerWaalsContact O-CG 3.24Å; Q82-D86 PolarHBondContact O-N 3.28Å |
| 83 | K | 90.1 | Very high | 87.7 | Confident | 103 Ų | 103 | 75.1 Ų | 75.1 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.8 | -42.2 | 176.9 | -69.4 | 167.7 | -170.3 | 162.4 | 0 | 111.7 | L37 E79 N80 D86 V87 | L37-K83 HydrophobicContact CD1-CB 4.42Å; L37-K83 HydrophobicContact CD2-CB 3.63Å; E79-K83 VanDerWaalsContact O-CG 3.32Å; E79-K83 WeakPolarHBondContact O-CG 3.46Å; E79-K83 PolarHBondContact O-N 2.65Å; N80-K83 PolarHBondContact O-N 3.41Å; K83-D86 PolarHBondContact O-N 3.43Å; K83-V87 VanDerWaalsContact O-CG2 3.28Å; K83-V87 WeakPolarHBondContact O-CG2 3.42Å; K83-V87 PolarHBondContact O-N 2.88Å; K83-V87 VanDerWaalsContact O-N 3.11Å |
| 84 | A | 87.2 | Confident | 87.3 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I33 L36 L37 V69 N80 A81 Q82 V87 L88 | I33-A84 HydrophobicContact CB-CB 4.48Å; I33-A84 HydrophobicContact CG1-CB 4.29Å; I33-A84 HydrophobicContact CG2-CB 4.3Å; L36-A84 HydrophobicContact CB-CB 4.01Å; L36-A84 HydrophobicContact CD1-CB 3.85Å; L37-A84 HydrophobicContact CD2-CB 4.49Å; L37-A84 HydrophobicContact CG-CB 4.37Å; V69-A84 HydrophobicContact CB-CB 4.28Å; N80-A84 VanDerWaalsContact O-CB 3.28Å; N80-A84 WeakPolarHBondContact O-CB 3.43Å; N80-A84 PolarHBondContact O-N 2.95Å; A81-A84 PolarHBondContact O-N 3.35Å; Q82-A84 VanDerWaalsContact C-N 3.3Å; Q82-A84 PolarHBondContact O-N 3.27Å; A84-V87 PolarHBondContact O-N 2.87Å; A84-L88 PolarHBondContact O-N 3.35Å |
| 85 | F | 88.8 | Confident | 86.7 | Confident | 55 Ų | 55 | 70.4 Ų | 70.4 | 24% | 0.241 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 175.2 | -172.7 | -92.5 | 0 | 0 | 0 | 112.1 | V69 H70 A81 Q82 V87 L88 K89 | V69-F85 HydrophobicContact CG2-CB 4.25Å; V69-F85 HydrophobicContact CG2-CD2 4.28Å; H70-F85 AromaticContact CD2-CE2 3.93Å; A81-F85 WeakPolarHBondContact O-CB 3.37Å; A81-F85 PolarHBondContact O-N 2.97Å; Q82-F85 WeakPolarHBondContact O-CB 3.35Å; Q82-F85 PolarHBondContact O-N 2.97Å; F85-V87 VanDerWaalsContact C-N 3.28Å; F85-V87 PolarHBondContact O-N 3.01Å; F85-L88 WeakPolarHBondContact O-CB 3.48Å; F85-L88 PolarHBondContact O-N 3.27Å; F85-L88 VanDerWaalsContact O-N 3.13Å; F85-K89 PolarHBondContact O-N 2.86Å |
| 86 | D | 88.1 | Confident | 86.4 | Confident | 78 Ų | 78 | 72.3 Ų | 72.3 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.8 | -38 | 176.5 | -66.6 | -22.1 | 0 | 0 | 0 | 111.7 | Q82 K83 K89 K90 | Q82-D86 PolarHBondContact NE2-OD1 3.48Å; Q82-D86 VanDerWaalsContact O-CG 3.24Å; Q82-D86 PolarHBondContact O-N 3.28Å; K83-D86 PolarHBondContact O-N 3.43Å; D86-K89 PolarHBondContact O-N 3.42Å; D86-K90 WeakPolarHBondContact O-CB 2.84Å; D86-K90 PolarHBondContact O-N 2.84Å |
| 87 | V | 84 | Confident | 86 | Confident | 49 Ų | 49 | 69.4 Ų | 69.4 | 30% | 0.297 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 174.2 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | N45 K83 A84 F85 A91 | N45-V87 HydrophobicContact CB-CG1 3.91Å; N45-V87 WeakPolarHBondContact ND2-CG1 3.46Å; K83-V87 VanDerWaalsContact O-CG2 3.28Å; K83-V87 WeakPolarHBondContact O-CG2 3.42Å; K83-V87 PolarHBondContact O-N 2.88Å; K83-V87 VanDerWaalsContact O-N 3.11Å; A84-V87 PolarHBondContact O-N 2.87Å; F85-V87 VanDerWaalsContact C-N 3.28Å; F85-V87 PolarHBondContact O-N 3.01Å; V87-A91 WeakPolarHBondContact O-CB 3.43Å; V87-A91 PolarHBondContact O-N 3.45Å |
| 88 | L | 82.2 | Confident | 85.8 | Confident | 26 Ų | 26 | 70.2 Ų | 70.2 | 14% | 0.136 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.6 | -44 | 174.5 | -73 | -178.3 | 0 | 0 | 0 | 111.9 | L36 L65 V69 A84 F85 K90 A91 L92 | L36-L88 HydrophobicContact CD1-CD1 4.05Å; L36-L88 HydrophobicContact CD1-CD2 4Å; L36-L88 HydrophobicContact CD1-CG 3.79Å; L36-L88 HydrophobicContact CD2-CD2 3.85Å; L36-L88 HydrophobicContact CD2-CG 4.39Å; L65-L88 HydrophobicContact CB-CD1 3.87Å; L65-L88 HydrophobicContact CD1-CD2 4.16Å; V69-L88 HydrophobicContact CG2-CD1 3.37Å; V69-L88 HydrophobicContact CG2-CG 4.4Å; A84-L88 PolarHBondContact O-N 3.35Å; F85-L88 WeakPolarHBondContact O-CB 3.48Å; F85-L88 PolarHBondContact O-N 3.27Å; F85-L88 VanDerWaalsContact O-N 3.13Å; L88-K90 PolarHBondContact O-N 2.85Å; L88-A91 WeakPolarHBondContact O-CB 3.29Å; L88-A91 PolarHBondContact O-N 3.48Å; L88-L92 PolarHBondContact O-N 3.2Å |
| 89 | K | 84.2 | Confident | 85.6 | Confident | 115 Ų | 115 | 69.1 Ų | 69.1 | 50% | 0.5 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.6 | -48.9 | 177.3 | -177.2 | 179.7 | 176.4 | -176.8 | 0 | 111.1 | F85 D86 A91 L92 E93 | F85-K89 PolarHBondContact O-N 2.86Å; D86-K89 PolarHBondContact O-N 3.42Å; K89-A91 VanDerWaalsContact C-N 3.29Å; K89-A91 PolarHBondContact O-N 2.94Å; K89-L92 WeakPolarHBondContact O-CB 3.46Å; K89-L92 PolarHBondContact O-N 3.48Å; K89-L92 VanDerWaalsContact O-N 3.15Å; K89-E93 WeakPolarHBondContact CE-OE1 3.41Å; K89-E93 WeakPolarHBondContact O-CG 3.44Å; K89-E93 PolarHBondContact O-N 3.3Å |
| 90 | K | 82.6 | Confident | 85 | Confident | 131 Ų | 131 | 66 Ų | 66 | 57% | 0.57 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59.5 | -39.3 | 175.7 | -178.2 | 175.9 | -178.5 | 173.8 | 0 | 112.5 | D86 L88 T94 | D86-K90 WeakPolarHBondContact O-CB 2.84Å; D86-K90 PolarHBondContact O-N 2.84Å; L88-K90 PolarHBondContact O-N 2.85Å; K90-T94 WeakPolarHBondContact O-CB 3.45Å; K90-T94 PolarHBondContact O-N 3.3Å; K90-T94 PolarHBondContact O-OG1 2.91Å |
| 91 | A | 79.2 | Confident | 84.5 | Confident | 10 Ų | 10 | 68.2 Ų | 68.2 | 8% | 0.083 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L46 V87 L88 K89 T94 L95 | L46-A91 HydrophobicContact CD2-CB 4.16Å; V87-A91 WeakPolarHBondContact O-CB 3.43Å; V87-A91 PolarHBondContact O-N 3.45Å; L88-A91 WeakPolarHBondContact O-CB 3.29Å; L88-A91 PolarHBondContact O-N 3.48Å; K89-A91 VanDerWaalsContact C-N 3.29Å; K89-A91 PolarHBondContact O-N 2.94Å; A91-T94 WeakPolarHBondContact O-CB 3.28Å; A91-T94 PolarHBondContact O-N 3.32Å; A91-L95 VanDerWaalsContact O-CG 3.31Å; A91-L95 WeakPolarHBondContact O-CG 3.38Å; A91-L95 PolarHBondContact O-N 3.32Å; A91-L95 VanDerWaalsContact O-N 3.11Å |
| 92 | L | 79.9 | Confident | 84.1 | Confident | 50 Ų | 50 | 70.7 Ų | 70.7 | 26% | 0.262 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62 | -49.3 | 176.6 | -175.7 | 64.7 | 0 | 0 | 0 | 111.6 | L88 K89 T94 L95 E96 | L88-L92 PolarHBondContact O-N 3.2Å; K89-L92 WeakPolarHBondContact O-CB 3.46Å; K89-L92 PolarHBondContact O-N 3.48Å; K89-L92 VanDerWaalsContact O-N 3.15Å; L92-T94 PolarHBondContact O-N 2.93Å; L92-L95 WeakPolarHBondContact O-CA 3.44Å; L92-L95 WeakPolarHBondContact O-CB 3.31Å; L92-L95 PolarHBondContact O-N 2.59Å; L92-E96 WeakPolarHBondContact O-CG 3.47Å; L92-E96 PolarHBondContact O-N 2.88Å |
| 93 | E | 83 | Confident | 83.7 | Confident | 89 Ų | 89 | 73.3 Ų | 73.3 | 42% | 0.416 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.8 | -39.3 | 175.4 | -70.6 | 170.2 | -180 | 0 | 0 | 111.6 | K89 L95 N97 | K89-E93 WeakPolarHBondContact CE-OE1 3.41Å; K89-E93 WeakPolarHBondContact O-CG 3.44Å; K89-E93 PolarHBondContact O-N 3.3Å; E93-L95 VanDerWaalsContact C-N 3.27Å; E93-L95 PolarHBondContact O-N 2.93Å; E93-N97 PolarHBondContact O-N 3.5Å; E93-N97 PolarHBondContact O-ND2 3.16Å |
| 94 | T | 80 | Confident | 83.3 | Confident | 29 Ų | 29 | 69 Ų | 69 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.9 | -31.7 | 176.4 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | K90 A91 L92 Q100 I104 | K90-T94 WeakPolarHBondContact O-CB 3.45Å; K90-T94 PolarHBondContact O-N 3.3Å; K90-T94 PolarHBondContact O-OG1 2.91Å; A91-T94 WeakPolarHBondContact O-CB 3.28Å; A91-T94 PolarHBondContact O-N 3.32Å; L92-T94 PolarHBondContact O-N 2.93Å; T94-Q100 HydrophobicContact CG2-CB 3.74Å; T94-Q100 HydrophobicContact CG2-CG 4.24Å; T94-Q100 VanDerWaalsContact O-CB 3.23Å; T94-Q100 WeakPolarHBondContact O-CB 3.5Å; T94-I104 HydrophobicContact CG2-CD1 3.77Å |
| 95 | L | 76.7 | Confident | 83.1 | Confident | 21 Ų | 21 | 75 Ų | 75 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -83.2 | -31 | -179.4 | -68.9 | 169.7 | 0 | 0 | 0 | 113.7 | P48 A91 L92 E93 N97 I104 | P48-L95 HydrophobicContact CB-CD1 4Å; P48-L95 HydrophobicContact CB-CD2 3.5Å; P48-L95 HydrophobicContact CB-CG 4.41Å; P48-L95 HydrophobicContact CG-CD2 3.48Å; P48-L95 VanDerWaalsContact CG-CD2 3.48Å; A91-L95 VanDerWaalsContact O-CG 3.31Å; A91-L95 WeakPolarHBondContact O-CG 3.38Å; A91-L95 PolarHBondContact O-N 3.32Å; A91-L95 VanDerWaalsContact O-N 3.11Å; L92-L95 WeakPolarHBondContact O-CA 3.44Å; L92-L95 WeakPolarHBondContact O-CB 3.31Å; L92-L95 PolarHBondContact O-N 2.59Å; E93-L95 VanDerWaalsContact C-N 3.27Å; E93-L95 PolarHBondContact O-N 2.93Å; L95-N97 VanDerWaalsContact C-N 3.28Å; L95-I104 HydrophobicContact CD2-CD1 4.4Å |
| 96 | E | 82.6 | Confident | 83.1 | Confident | 113 Ų | 113 | 77.3 Ų | 77.3 | 53% | 0.528 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.8 | -35.7 | 173.2 | -71.9 | 174.2 | 176.6 | 0 | 0 | 111 | L92 P98 | L92-E96 WeakPolarHBondContact O-CG 3.47Å; L92-E96 PolarHBondContact O-N 2.88Å; E96-P98 WeakPolarHBondContact O-CD 3.41Å |
| 97 | N | 84.9 | Confident | 83 | Confident | 88 Ų | 88 | 73.9 Ų | 73.9 | 47% | 0.471 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -69.6 | 114.2 | 176.3 | -79 | -62 | 0 | 0 | 0 | 112.1 | E93 L95 N99 Q100 R101 | E93-N97 PolarHBondContact O-N 3.5Å; E93-N97 PolarHBondContact O-ND2 3.16Å; L95-N97 VanDerWaalsContact C-N 3.28Å; N97-N99 VanDerWaalsContact C-N 3.32Å; N97-N99 PolarHBondContact O-N 2.96Å; N97-Q100 HydrophobicContact CB-CB 4.11Å; N97-Q100 HydrophobicContact CB-CG 4.05Å; N97-Q100 PolarHBondContact O-N 3.46Å; N97-R101 WeakPolarHBondContact O-CB 3.47Å; N97-R101 PolarHBondContact O-N 2.74Å |
| 98 | P | 85.9 | Confident | 83 | Confident | 77 Ų | 77 | 74.5 Ų | 74.5 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.6 | -35.5 | -174.3 | 23.9 | -33.4 | 0 | 0 | 0 | 113.1 | E96 R101 A102 | E96-P98 WeakPolarHBondContact O-CD 3.41Å; P98-R101 PolarHBondContact O-N 3.06Å; P98-A102 WeakPolarHBondContact O-CB 3.3Å; P98-A102 PolarHBondContact O-N 2.77Å |
| 99 | N | 87.1 | Confident | 83.4 | Confident | 139 Ų | 139 | 78.1 Ų | 78.1 | 74% | 0.743 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65.2 | -44 | 178.3 | -67.9 | -28.1 | 0 | 0 | 0 | 112.1 | N97 A102 R103 | N97-N99 VanDerWaalsContact C-N 3.32Å; N97-N99 PolarHBondContact O-N 2.96Å; N99-A102 PolarHBondContact O-N 2.96Å; N99-R103 PolarHBondContact O-N 3.37Å |
| 100 | Q | 81.6 | Confident | 83.6 | Confident | 81 Ų | 81 | 75.2 Ų | 75.2 | 38% | 0.379 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.5 | -40.8 | 177.5 | -65 | -63.8 | -7.3 | 0 | 0 | 110.7 | T94 N97 A102 R103 I104 | T94-Q100 HydrophobicContact CG2-CB 3.74Å; T94-Q100 HydrophobicContact CG2-CG 4.24Å; T94-Q100 VanDerWaalsContact O-CB 3.23Å; T94-Q100 WeakPolarHBondContact O-CB 3.5Å; N97-Q100 HydrophobicContact CB-CB 4.11Å; N97-Q100 HydrophobicContact CB-CG 4.05Å; N97-Q100 PolarHBondContact O-N 3.46Å; Q100-A102 VanDerWaalsContact C-N 3.33Å; Q100-A102 PolarHBondContact O-N 3.4Å; Q100-R103 WeakPolarHBondContact O-CB 3.5Å; Q100-R103 PolarHBondContact O-N 3.07Å; Q100-R103 VanDerWaalsContact O-N 3.16Å; Q100-I104 WeakPolarHBondContact O-CG1 3.46Å; Q100-I104 PolarHBondContact O-N 2.93Å |
| 101 | R | 80.6 | Confident | 83.9 | Confident | 102 Ų | 102 | 69 Ų | 69 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.7 | -43.1 | 173.7 | -172.7 | 173.7 | 67.8 | -149.8 | 5.7 | 112.4 | N97 P98 I104 R105 | N97-R101 WeakPolarHBondContact O-CB 3.47Å; N97-R101 PolarHBondContact O-N 2.74Å; P98-R101 PolarHBondContact O-N 3.06Å; R101-I104 PolarHBondContact O-N 2.87Å; R101-R105 WeakPolarHBondContact O-CB 3.21Å; R101-R105 PolarHBondContact O-N 3.31Å |
| 102 | A | 84.9 | Confident | 84.2 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 42% | 0.421 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P98 N99 Q100 I104 R105 L106 | P98-A102 WeakPolarHBondContact O-CB 3.3Å; P98-A102 PolarHBondContact O-N 2.77Å; N99-A102 PolarHBondContact O-N 2.96Å; Q100-A102 VanDerWaalsContact C-N 3.33Å; Q100-A102 PolarHBondContact O-N 3.4Å; A102-I104 PolarHBondContact O-N 3.16Å; A102-R105 WeakPolarHBondContact O-CB 3.45Å; A102-R105 PolarHBondContact O-N 2.97Å; A102-L106 WeakPolarHBondContact O-CG 3.33Å; A102-L106 PolarHBondContact O-N 3.49Å |
| 103 | R | 83.1 | Confident | 84.8 | Confident | 133 Ų | 133 | 72.4 Ų | 72.4 | 50% | 0.502 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 174.9 | -168.4 | -175 | -148.1 | -178.4 | 7 | 112.3 | N99 Q100 R105 L106 I107 | N99-R103 PolarHBondContact O-N 3.37Å; Q100-R103 WeakPolarHBondContact O-CB 3.5Å; Q100-R103 PolarHBondContact O-N 3.07Å; Q100-R103 VanDerWaalsContact O-N 3.16Å; R103-R105 VanDerWaalsContact C-N 3.33Å; R103-L106 PolarHBondContact O-N 2.94Å; R103-I107 HydrophobicContact CG-CD1 4.48Å; R103-I107 WeakPolarHBondContact O-CG1 3.39Å; R103-I107 PolarHBondContact O-N 3.42Å; R103-I107 VanDerWaalsContact O-N 3.1Å |
| 104 | I | 81.9 | Confident | 85 | Confident | 11 Ų | 11 | 72.3 Ų | 72.3 | 6% | 0.056 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65 | -39.8 | 178.6 | -66.4 | 163.7 | 0 | 0 | 0 | 110.5 | P48 Y49 T94 L95 Q100 R101 A102 I107 Y108 | P48-I104 HydrophobicContact CG-CG2 3.85Å; Y49-I104 HydrophobicContact CE2-CG2 4.01Å; T94-I104 HydrophobicContact CG2-CD1 3.77Å; L95-I104 HydrophobicContact CD2-CD1 4.4Å; Q100-I104 WeakPolarHBondContact O-CG1 3.46Å; Q100-I104 PolarHBondContact O-N 2.93Å; R101-I104 PolarHBondContact O-N 2.87Å; A102-I104 PolarHBondContact O-N 3.16Å; I104-I107 PolarHBondContact O-N 3.39Å; I104-Y108 PolarHBondContact O-N 3.19Å |
| 105 | R | 84.1 | Confident | 85.3 | Confident | 126 Ų | 126 | 71 Ų | 71 | 48% | 0.475 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 173.8 | -175.1 | 179.4 | -66.6 | -164.8 | -1.6 | 111.9 | R101 A102 R103 I107 Y108 E109 | R101-R105 WeakPolarHBondContact O-CB 3.21Å; R101-R105 PolarHBondContact O-N 3.31Å; A102-R105 WeakPolarHBondContact O-CB 3.45Å; A102-R105 PolarHBondContact O-N 2.97Å; R103-R105 VanDerWaalsContact C-N 3.33Å; R105-I107 VanDerWaalsContact C-N 3.3Å; R105-I107 PolarHBondContact O-N 3.4Å; R105-Y108 WeakPolarHBondContact O-CB 3.37Å; R105-Y108 PolarHBondContact O-N 3.03Å; R105-Y108 VanDerWaalsContact O-N 3.15Å; R105-E109 HydrophobicContact CG-CG 4.42Å; R105-E109 WeakPolarHBondContact CG-OE1 3.13Å; R105-E109 WeakPolarHBondContact O-CG 3.39Å; R105-E109 PolarHBondContact O-N 3.2Å |
| 106 | L | 87.8 | Confident | 85.9 | Confident | 104 Ų | 104 | 72.8 Ų | 72.8 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 176.8 | -70.7 | 172.7 | 0 | 0 | 0 | 112.4 | A102 R103 E110 | A102-L106 WeakPolarHBondContact O-CG 3.33Å; A102-L106 PolarHBondContact O-N 3.49Å; R103-L106 PolarHBondContact O-N 2.94Å; L106-E110 VanDerWaalsContact O-CB 3.29Å; L106-E110 WeakPolarHBondContact O-CB 3.34Å; L106-E110 PolarHBondContact O-N 3.23Å |
| 107 | I | 86.1 | Confident | 86.1 | Confident | 6 Ų | 6 | 75.5 Ų | 75.5 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 175.7 | -68.1 | 168.5 | 0 | 0 | 0 | 110.8 | R103 I104 R105 E110 A111 T155 V158 F159 K162 | R103-I107 HydrophobicContact CG-CD1 4.48Å; R103-I107 WeakPolarHBondContact O-CG1 3.39Å; R103-I107 PolarHBondContact O-N 3.42Å; R103-I107 VanDerWaalsContact O-N 3.1Å; I104-I107 PolarHBondContact O-N 3.39Å; R105-I107 VanDerWaalsContact C-N 3.3Å; R105-I107 PolarHBondContact O-N 3.4Å; I107-E110 PolarHBondContact O-N 2.88Å; I107-A111 WeakPolarHBondContact O-CB 3.21Å; I107-A111 PolarHBondContact O-N 3.1Å; I107-T155 HydrophobicContact CG2-CG2 4.22Å; I107-V158 HydrophobicContact CG2-CB 4.2Å; I107-V158 HydrophobicContact CG2-CG1 3.93Å; I107-F159 HydrophobicContact CD1-CD2 3.63Å; I107-F159 HydrophobicContact CD1-CE2 3.91Å; I107-F159 HydrophobicContact CD1-CG 4.42Å; I107-F159 HydrophobicContact CG2-CB 4.23Å; I107-F159 HydrophobicContact CG2-CD2 4.26Å; I107-K162 HydrophobicContact CD1-CD 4.43Å; I107-K162 HydrophobicContact CG1-CD 4.03Å |
| 108 | Y | 85.4 | Confident | 86.2 | Confident | 63 Ų | 63 | 73.8 Ų | 73.8 | 25% | 0.247 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65 | -45.6 | 177.4 | 179.1 | -95.6 | 0 | 0 | 0 | 112.1 | Y49 I104 R105 E110 A111 K112 I151 T155 | Y49-Y108 HydrophobicContact CD2-CD1 4.41Å; Y49-Y108 AromaticContact CD2-CD2 3.59Å; Y49-Y108 HydrophobicContact CD2-CD2 3.59Å; Y49-Y108 HydrophobicContact CD2-CE2 4.27Å; Y49-Y108 AromaticContact CD2-CG 3.67Å; Y49-Y108 HydrophobicContact CD2-CG 3.67Å; Y49-Y108 HydrophobicContact CE2-CD1 4.46Å; Y49-Y108 HydrophobicContact CE2-CD2 4.33Å; Y49-Y108 AromaticContact CE2-CG 3.93Å; Y49-Y108 HydrophobicContact CE2-CG 3.93Å; Y49-Y108 AromaticContact CG-CD2 3.86Å; Y49-Y108 HydrophobicContact CG-CD2 3.86Å; Y49-Y108 HydrophobicContact CG-CE2 4.06Å; Y49-Y108 HydrophobicContact CG-CG 4.16Å; I104-Y108 PolarHBondContact O-N 3.19Å; R105-Y108 WeakPolarHBondContact O-CB 3.37Å; R105-Y108 PolarHBondContact O-N 3.03Å; R105-Y108 VanDerWaalsContact O-N 3.15Å; Y108-E110 VanDerWaalsContact C-N 3.33Å; Y108-E110 PolarHBondContact O-N 3.25Å; Y108-A111 PolarHBondContact O-N 3.37Å; Y108-K112 WeakPolarHBondContact O-CB 3.39Å; Y108-K112 PolarHBondContact O-N 3.24Å; Y108-I151 HydrophobicContact CD2-CG2 4.22Å; Y108-I151 HydrophobicContact CE2-CG2 3.57Å; Y108-T155 HydrophobicContact CD2-CG2 4.48Å |
| 109 | E | 88.8 | Confident | 86.1 | Confident | 101 Ų | 101 | 71.8 Ų | 71.8 | 47% | 0.472 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 176.4 | -74.3 | 171.4 | -174 | 0 | 0 | 111.7 | R105 K112 A113 | R105-E109 HydrophobicContact CG-CG 4.42Å; R105-E109 WeakPolarHBondContact CG-OE1 3.13Å; R105-E109 WeakPolarHBondContact O-CG 3.39Å; R105-E109 PolarHBondContact O-N 3.2Å; E109-K112 PolarHBondContact O-N 2.9Å; E109-A113 VanDerWaalsContact O-CB 3.31Å; E109-A113 WeakPolarHBondContact O-CB 3.5Å; E109-A113 PolarHBondContact O-N 3.36Å |
| 110 | E | 89.2 | Confident | 85.9 | Confident | 55 Ų | 55 | 65.9 Ų | 65.9 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 173.9 | -177.7 | 177.5 | 169.4 | 0 | 0 | 111.8 | L106 I107 Y108 A113 R114 V158 K162 | L106-E110 VanDerWaalsContact O-CB 3.29Å; L106-E110 WeakPolarHBondContact O-CB 3.34Å; L106-E110 PolarHBondContact O-N 3.23Å; I107-E110 PolarHBondContact O-N 2.88Å; Y108-E110 VanDerWaalsContact C-N 3.33Å; Y108-E110 PolarHBondContact O-N 3.25Å; E110-A113 PolarHBondContact O-N 2.91Å; E110-R114 WeakPolarHBondContact O-CB 3.46Å; E110-R114 VanDerWaalsContact O-CG 3.28Å; E110-R114 WeakPolarHBondContact O-CG 3.33Å; E110-R114 PolarHBondContact O-N 3.26Å; E110-R114 IonicContact OE1-CZ 3.39Å; E110-R114 IonicContact OE1-NE 2.73Å; E110-R114 PolarHBondContact OE1-NE 2.98Å; E110-R114 IonicContact OE1-NH2 3.87Å; E110-R114 PolarHBondContact OE1-NH2 3.36Å; E110-V158 HydrophobicContact CB-CG1 4.47Å; E110-V158 HydrophobicContact CG-CG1 4.18Å; E110-K162 WeakPolarHBondContact OE2-CE 2.96Å; E110-K162 IonicContact OE2-NZ 3.34Å; E110-K162 PolarHBondContact OE2-NZ 2.81Å |
| 111 | A | 88 | Confident | 86.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I107 Y108 R114 T115 N154 T155 V158 | I107-A111 WeakPolarHBondContact O-CB 3.21Å; I107-A111 PolarHBondContact O-N 3.1Å; Y108-A111 PolarHBondContact O-N 3.37Å; A111-R114 PolarHBondContact O-N 2.73Å; A111-T115 WeakPolarHBondContact O-CB 3.45Å; A111-T115 PolarHBondContact O-N 3.25Å; A111-T115 PolarHBondContact O-OG1 2.95Å; A111-N154 HydrophobicContact CB-CB 4.31Å; A111-T155 VanDerWaalsContact CB-CA 3.46Å; A111-T155 WeakPolarHBondContact CB-OG1 3.47Å; A111-V158 HydrophobicContact CB-CG2 4.07Å |
| 112 | K | 87.4 | Confident | 86.3 | Confident | 92 Ų | 92 | 64.7 Ų | 64.7 | 40% | 0.4 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.4 | -49.5 | 172.8 | -175.1 | -179.7 | 177.9 | -172 | 0 | 110.6 | Y108 E109 R114 T115 D116 I151 | Y108-K112 WeakPolarHBondContact O-CB 3.39Å; Y108-K112 PolarHBondContact O-N 3.24Å; E109-K112 PolarHBondContact O-N 2.9Å; K112-R114 VanDerWaalsContact C-N 3.34Å; K112-R114 PolarHBondContact O-N 2.97Å; K112-T115 WeakPolarHBondContact O-CA 3.43Å; K112-T115 WeakPolarHBondContact O-CB 3.5Å; K112-T115 PolarHBondContact O-N 2.73Å; K112-D116 PolarHBondContact O-N 3.45Å; K112-I151 HydrophobicContact CG-CD1 4.42Å |
| 113 | A | 90.8 | Very high | 86.1 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E109 E110 T115 K117 | E109-A113 VanDerWaalsContact O-CB 3.31Å; E109-A113 WeakPolarHBondContact O-CB 3.5Å; E109-A113 PolarHBondContact O-N 3.36Å; E110-A113 PolarHBondContact O-N 2.91Å; A113-T115 VanDerWaalsContact C-N 3.32Å; A113-T115 PolarHBondContact O-N 2.77Å; A113-K117 WeakPolarHBondContact O-CB 3.32Å; A113-K117 WeakPolarHBondContact O-CG 3.47Å; A113-K117 PolarHBondContact O-N 3.11Å |
| 114 | R | 88.4 | Confident | 86.1 | Confident | 88 Ų | 88 | 65.8 Ų | 65.8 | 33% | 0.332 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 173.7 | -73.8 | 178.4 | -173.8 | -155.3 | 5.2 | 111.4 | E110 A111 K112 A118 V119 E161 | E110-R114 WeakPolarHBondContact O-CB 3.46Å; E110-R114 VanDerWaalsContact O-CG 3.28Å; E110-R114 WeakPolarHBondContact O-CG 3.33Å; E110-R114 PolarHBondContact O-N 3.26Å; E110-R114 IonicContact OE1-CZ 3.39Å; E110-R114 IonicContact OE1-NE 2.73Å; E110-R114 PolarHBondContact OE1-NE 2.98Å; E110-R114 IonicContact OE1-NH2 3.87Å; E110-R114 PolarHBondContact OE1-NH2 3.36Å; A111-R114 PolarHBondContact O-N 2.73Å; K112-R114 VanDerWaalsContact C-N 3.34Å; K112-R114 PolarHBondContact O-N 2.97Å; R114-A118 WeakPolarHBondContact O-CB 3.23Å; R114-A118 PolarHBondContact O-N 3.34Å; R114-V119 PolarHBondContact O-N 3.39Å; R114-V119 VanDerWaalsContact O-N 3.16Å; R114-E161 IonicContact CZ-OE2 2.76Å; R114-E161 IonicContact NH1-OE2 3.87Å; R114-E161 PolarHBondContact NH1-OE2 3.03Å; R114-E161 IonicContact NH2-OE1 2.88Å; R114-E161 IonicContact NH2-OE2 3.22Å; R114-E161 PolarHBondContact NH2-OE2 3.39Å; R114-E161 VanDerWaalsContact NH2-OE2 3.16Å |
| 115 | T | 87 | Confident | 86.3 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -64.6 | -50.8 | 178.1 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | A111 K112 A113 V119 L120 Y147 L150 I151 N154 | A111-T115 WeakPolarHBondContact O-CB 3.45Å; A111-T115 PolarHBondContact O-N 3.25Å; A111-T115 PolarHBondContact O-OG1 2.95Å; K112-T115 WeakPolarHBondContact O-CA 3.43Å; K112-T115 WeakPolarHBondContact O-CB 3.5Å; K112-T115 PolarHBondContact O-N 2.73Å; A113-T115 VanDerWaalsContact C-N 3.32Å; A113-T115 PolarHBondContact O-N 2.77Å; T115-V119 PolarHBondContact O-N 3.48Å; T115-L120 HydrophobicContact CG2-CG 4.44Å; T115-L120 PolarHBondContact O-N 3.4Å; T115-Y147 HydrophobicContact CG2-CD2 4.4Å; T115-Y147 HydrophobicContact CG2-CE2 3.97Å; T115-L150 HydrophobicContact CG2-CB 4.49Å; T115-L150 HydrophobicContact CG2-CD2 3.52Å; T115-L150 HydrophobicContact CG2-CG 3.71Å; T115-I151 HydrophobicContact CG2-CG1 4.27Å; T115-N154 PolarHBondContact OG1-ND2 2.61Å |
| 116 | D | 88.5 | Confident | 86.2 | Confident | 60 Ų | 60 | 72 Ų | 72 | 32% | 0.321 | 34% | 0.34 | S | S | . | . | I | π-helix | trans | -72 | -37.5 | -174.7 | -64.6 | -14.3 | 0 | 0 | 0 | 112.9 | K112 P121 Y147 | K112-D116 PolarHBondContact O-N 3.45Å; D116-P121 WeakPolarHBondContact O-CD 3.36Å; D116-P121 WeakPolarHBondContact O-CG 3.42Å; D116-Y147 VanDerWaalsContact OD1-CE2 3.3Å; D116-Y147 WeakPolarHBondContact OD1-CE2 3.2Å; D116-Y147 PolarHBondContact OD1-OH 2.93Å; D116-Y147 PolarHBondContact OD2-OH 3.42Å |
| 117 | K | 87.3 | Confident | 85.8 | Confident | 170 Ų | 170 | 70.1 Ų | 70.1 | 74% | 0.739 | 33% | 0.33 | S | S | * | . | I | π-helix | trans | -97.1 | -25.5 | -172 | -62.1 | -178.2 | 176.8 | -179.2 | 0 | 114.5 | A113 | A113-K117 WeakPolarHBondContact O-CB 3.32Å; A113-K117 WeakPolarHBondContact O-CG 3.47Å; A113-K117 PolarHBondContact O-N 3.11Å |
| 118 | A | 85.6 | Confident | 85.4 | Confident | 51 Ų | 51 | 76.5 Ų | 76.5 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | I | π-helix | trans | -113.5 | -60 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R114 P121 E122 | R114-A118 WeakPolarHBondContact O-CB 3.23Å; R114-A118 PolarHBondContact O-N 3.34Å; A118-P121 WeakPolarHBondContact O-CD 3.42Å; A118-E122 WeakPolarHBondContact O-CB 3.32Å; A118-E122 PolarHBondContact O-N 2.95Å |
| 119 | V | 84.1 | Confident | 85.2 | Confident | 35 Ų | 35 | 80.6 Ų | 80.6 | 21% | 0.212 | 38% | 0.377 | C | S | . | . | I | π-helix | trans | -65.9 | -51.7 | -169.8 | -177.7 | 0 | 0 | 0 | 0 | 112.4 | R114 T115 E122 K123 L150 | R114-V119 PolarHBondContact O-N 3.39Å; R114-V119 VanDerWaalsContact O-N 3.16Å; T115-V119 PolarHBondContact O-N 3.48Å; V119-E122 PolarHBondContact O-N 2.85Å; V119-K123 WeakPolarHBondContact O-CG 3.35Å; V119-K123 PolarHBondContact O-N 3.13Å; V119-L150 HydrophobicContact CG1-CD1 4.36Å; V119-L150 HydrophobicContact CG1-CD2 4.06Å |
| 120 | L | 84.3 | Confident | 84.6 | Confident | 15 Ų | 15 | 85.5 Ų | 85.5 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64 | -49.2 | -179.2 | -70.3 | 175.3 | 0 | 0 | 0 | 112 | T115 E122 K123 R124 L139 E141 Y147 L150 | T115-L120 HydrophobicContact CG2-CG 4.44Å; T115-L120 PolarHBondContact O-N 3.4Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 2.88Å; L120-K123 PolarHBondContact O-N 2.94Å; L120-R124 WeakPolarHBondContact O-CG 3.41Å; L120-R124 PolarHBondContact O-N 2.93Å; L120-L139 HydrophobicContact CD2-CD1 4.07Å; L120-E141 HydrophobicContact CD2-CB 3.46Å; L120-E141 VanDerWaalsContact CD2-CB 3.46Å; L120-E141 HydrophobicContact CD2-CG 4.08Å; L120-Y147 HydrophobicContact CD1-CD2 4.21Å; L120-Y147 HydrophobicContact CD1-CE2 3.93Å; L120-L150 HydrophobicContact CD2-CD2 4.35Å |
| 121 | P | 84.2 | Confident | 83.7 | Confident | 43 Ų | 43 | 86.1 Ų | 86.1 | 28% | 0.279 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 178.2 | -26.2 | 37.9 | 0 | 0 | 0 | 113.4 | D116 A118 R124 R125 | D116-P121 WeakPolarHBondContact O-CD 3.36Å; D116-P121 WeakPolarHBondContact O-CG 3.42Å; A118-P121 WeakPolarHBondContact O-CD 3.42Å; P121-R124 PolarHBondContact O-N 3.16Å; P121-R125 WeakPolarHBondContact O-CB 3.12Å; P121-R125 WeakPolarHBondContact O-CG 3.45Å; P121-R125 PolarHBondContact O-N 2.97Å |
| 122 | E | 85.5 | Confident | 82.7 | Confident | 116 Ų | 116 | 94.4 Ų | 94.4 | 54% | 0.542 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 176.7 | -173.9 | 173.3 | -169 | 0 | 0 | 111.3 | A118 V119 L120 R125 M126 | A118-E122 WeakPolarHBondContact O-CB 3.32Å; A118-E122 PolarHBondContact O-N 2.95Å; V119-E122 PolarHBondContact O-N 2.85Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 2.88Å; E122-R125 WeakPolarHBondContact O-CB 3.48Å; E122-R125 PolarHBondContact O-N 2.83Å; E122-M126 WeakPolarHBondContact O-CG 3.41Å; E122-M126 PolarHBondContact O-N 2.9Å |
| 123 | K | 81.6 | Confident | 81.7 | Confident | 89 Ų | 89 | 97.6 Ų | 97.6 | 39% | 0.387 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 174.1 | -75.4 | -165.1 | 174 | -161.7 | 0 | 112.6 | V119 L120 R125 M126 L127 L139 E141 | V119-K123 WeakPolarHBondContact O-CG 3.35Å; V119-K123 PolarHBondContact O-N 3.13Å; L120-K123 PolarHBondContact O-N 2.94Å; K123-R125 VanDerWaalsContact C-N 3.29Å; K123-R125 PolarHBondContact O-N 3.28Å; K123-M126 PolarHBondContact O-N 2.99Å; K123-L127 PolarHBondContact O-N 3.27Å; K123-L139 HydrophobicContact CB-CD1 4.25Å; K123-L139 HydrophobicContact CB-CD2 4.37Å; K123-E141 WeakPolarHBondContact CD-OE1 3.41Å; K123-E141 IonicContact NZ-OE1 3.07Å; K123-E141 PolarHBondContact NZ-OE1 3.28Å |
| 124 | R | 82.9 | Confident | 80.2 | Confident | 118 Ų | 118 | 97.1 Ų | 97.1 | 45% | 0.445 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.3 | -39 | 173.8 | -67.9 | -176.3 | -179 | 175.4 | -0.9 | 111.7 | L120 P121 K128 L139 D142 | L120-R124 WeakPolarHBondContact O-CG 3.41Å; L120-R124 PolarHBondContact O-N 2.93Å; P121-R124 PolarHBondContact O-N 3.16Å; R124-K128 WeakPolarHBondContact O-CG 3.47Å; R124-K128 PolarHBondContact O-N 2.76Å; R124-L139 HydrophobicContact CG-CD1 3.34Å; R124-L139 HydrophobicContact CG-CD2 4.48Å; R124-L139 HydrophobicContact CG-CG 3.89Å; R124-D142 IonicContact CZ-OD1 2.61Å; R124-D142 IonicContact NH2-OD1 3.89Å; R124-D142 PolarHBondContact NH2-OD1 3.22Å; R124-D142 IonicContact NH2-OD2 2.78Å |
| 125 | R | 84.4 | Confident | 78.9 | Confident | 183 Ų | 183 | 98.2 Ų | 98.2 | 69% | 0.691 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.9 | -40.6 | 176.4 | -76 | 171.9 | -180 | -172.6 | 0.7 | 112.2 | P121 E122 K123 K129 | P121-R125 WeakPolarHBondContact O-CB 3.12Å; P121-R125 WeakPolarHBondContact O-CG 3.45Å; P121-R125 PolarHBondContact O-N 2.97Å; E122-R125 WeakPolarHBondContact O-CB 3.48Å; E122-R125 PolarHBondContact O-N 2.83Å; K123-R125 VanDerWaalsContact C-N 3.29Å; K123-R125 PolarHBondContact O-N 3.28Å; R125-K129 WeakPolarHBondContact O-CG 3.42Å; R125-K129 PolarHBondContact O-N 2.66Å |
| 126 | M | 82.1 | Confident | 77.8 | Confident | 85 Ų | 85 | 103.6 Ų | 103.6 | 42% | 0.419 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -45 | 176.4 | -70.2 | -57.7 | -157.5 | 0 | 0 | 111 | E122 K123 K128 K129 Y130 | E122-M126 WeakPolarHBondContact O-CG 3.41Å; E122-M126 PolarHBondContact O-N 2.9Å; K123-M126 PolarHBondContact O-N 2.99Å; M126-K128 VanDerWaalsContact C-N 3.33Å; M126-K128 PolarHBondContact O-N 3.38Å; M126-K129 WeakPolarHBondContact O-CB 3.07Å; M126-K129 PolarHBondContact O-N 2.78Å; M126-K129 HydrophobicContact SD-CD 4.43Å; M126-Y130 WeakPolarHBondContact O-CD2 3.46Å; M126-Y130 PolarHBondContact O-N 3.22Å; M126-Y130 VanDerWaalsContact O-N 3.1Å |
| 127 | L | 79.3 | Confident | 76.6 | Confident | 64 Ų | 64 | 105.8 Ų | 105.8 | 34% | 0.335 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 179 | -166.8 | 62.6 | 0 | 0 | 0 | 111.7 | K123 K129 Y130 D131 Q137 L139 | K123-L127 PolarHBondContact O-N 3.27Å; L127-K129 PolarHBondContact O-N 3.13Å; L127-Y130 PolarHBondContact O-N 2.93Å; L127-D131 PolarHBondContact O-N 2.97Å; L127-Q137 HydrophobicContact CD2-CB 4.12Å; L127-L139 HydrophobicContact CD2-CD2 4.08Å |
| 128 | K | 79.5 | Confident | 75.6 | Confident | 139 Ų | 139 | 102.9 Ų | 102.9 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.9 | -23 | 174.2 | -69.9 | -179.3 | -175.4 | -165.7 | 0 | 114.8 | R124 M126 K132 | R124-K128 WeakPolarHBondContact O-CG 3.47Å; R124-K128 PolarHBondContact O-N 2.76Å; M126-K128 VanDerWaalsContact C-N 3.33Å; M126-K128 PolarHBondContact O-N 3.38Å; K128-K132 WeakPolarHBondContact O-CA 3.06Å; K128-K132 WeakPolarHBondContact O-CG 3.16Å |
| 129 | K | 80.3 | Confident | 74.8 | Confident | 150 Ų | 150 | 101.3 Ų | 101.3 | 65% | 0.652 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -80.6 | -42.4 | 177.4 | -79.3 | -179.6 | 177.8 | -176.2 | 0 | 111.7 | R125 M126 L127 | R125-K129 WeakPolarHBondContact O-CG 3.42Å; R125-K129 PolarHBondContact O-N 2.66Å; M126-K129 WeakPolarHBondContact O-CB 3.07Å; M126-K129 PolarHBondContact O-N 2.78Å; M126-K129 HydrophobicContact SD-CD 4.43Å; L127-K129 PolarHBondContact O-N 3.13Å |
| 130 | Y | 75.9 | Confident | 74.4 | Confident | 203 Ų | 203 | 105.6 Ų | 105.6 | 80% | 0.796 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -73.2 | -33.3 | 177.4 | -73.2 | -74 | 0 | 0 | 0 | 111.6 | M126 L127 | M126-Y130 WeakPolarHBondContact O-CD2 3.46Å; M126-Y130 PolarHBondContact O-N 3.22Å; M126-Y130 VanDerWaalsContact O-N 3.1Å; L127-Y130 PolarHBondContact O-N 2.93Å |
| 131 | D | 70.2 | Confident | 73.9 | Confident | 68 Ų | 68 | 105.9 Ų | 105.9 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | trans | -129.8 | 83.9 | -178.3 | -155.6 | -18.2 | 0 | 0 | 0 | 109.8 | L127 D133 A134 | L127-D131 PolarHBondContact O-N 2.97Å; D131-D133 VanDerWaalsContact C-N 3.29Å; D131-A134 HydrophobicContact CB-CB 4.01Å; D131-A134 WeakPolarHBondContact OD1-CB 3.31Å; D131-A134 PolarHBondContact OD1-N 3.11Å; D131-A134 WeakPolarHBondContact OD2-CB 3.47Å | ||
| 132 | K | 67 | Low | 73.5 | Confident | 175 Ų | 175 | 107.2 Ų | 107.2 | 76% | 0.761 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -69.7 | -28.6 | -178.7 | -85.5 | -179.9 | 174.2 | 177.3 | 0 | 112.7 | K128 | K128-K132 WeakPolarHBondContact O-CA 3.06Å; K128-K132 WeakPolarHBondContact O-CG 3.16Å |
| 133 | D | 66.4 | Low | 73.2 | Confident | 159 Ų | 159 | 105.3 Ų | 105.3 | 85% | 0.85 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -104.2 | -11.7 | -171.7 | -59.9 | -42.2 | 0 | 0 | 0 | 112.7 | D131 | D131-D133 VanDerWaalsContact C-N 3.29Š|
| 134 | A | 60.5 | Low | 73.2 | Confident | 29 Ų | 29 | 105 Ų | 105 | 24% | 0.24 | 53% | 0.526 | C | S | . | . | S | Bend | trans | -68.7 | 137.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D131 | D131-A134 HydrophobicContact CB-CB 4.01Å; D131-A134 WeakPolarHBondContact OD1-CB 3.31Å; D131-A134 PolarHBondContact OD1-N 3.11Å; D131-A134 WeakPolarHBondContact OD2-CB 3.47Å |
| 135 | P | 60 | Low | 72.9 | Confident | 110 Ų | 110 | 103.2 Ų | 103.2 | 71% | 0.714 | 53% | 0.525 | S | S | * | . | trans | -55 | 149.6 | 166.8 | 24.3 | -31.6 | 0 | 0 | 0 | 109.3 | Q137 | P135-Q137 VanDerWaalsContact C-N 3.31Å; P135-Q137 WeakPolarHBondContact O-CG 3.49Å; P135-Q137 PolarHBondContact O-N 2.72Å | ||
| 136 | S | 64.2 | Low | 72.7 | Confident | 114 Ų | 114 | 96.6 Ų | 96.6 | 80% | 0.797 | 51% | 0.505 | S | S | * | . | trans | -48.4 | 92.7 | -179 | -177.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 137 | Q | 63.9 | Low | 72.8 | Confident | 106 Ų | 106 | 95 Ų | 95 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 136.8 | -177.3 | -72 | -167.5 | -10.5 | 0 | 0 | 108.3 | L127 P135 L139 | L127-Q137 HydrophobicContact CD2-CB 4.12Å; P135-Q137 VanDerWaalsContact C-N 3.31Å; P135-Q137 WeakPolarHBondContact O-CG 3.49Å; P135-Q137 PolarHBondContact O-N 2.72Å; Q137-L139 PolarHBondContact O-N 3.01Å |
| 138 | P | 65.6 | Low | 72.8 | Confident | 108 Ų | 108 | 97.5 Ų | 97.5 | 70% | 0.701 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 130.1 | 171.5 | 24.2 | -30.9 | 0 | 0 | 0 | 108.1 | ||
| 139 | L | 69.5 | Low | 72.8 | Confident | 18 Ų | 18 | 99.6 Ų | 99.6 | 9% | 0.094 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 147.4 | 172.2 | -79.7 | -176.6 | 0 | 0 | 0 | 108.6 | L120 K123 R124 L127 Q137 E141 D142 | L120-L139 HydrophobicContact CD2-CD1 4.07Å; K123-L139 HydrophobicContact CB-CD1 4.25Å; K123-L139 HydrophobicContact CB-CD2 4.37Å; R124-L139 HydrophobicContact CG-CD1 3.34Å; R124-L139 HydrophobicContact CG-CD2 4.48Å; R124-L139 HydrophobicContact CG-CG 3.89Å; L127-L139 HydrophobicContact CD2-CD2 4.08Å; Q137-L139 PolarHBondContact O-N 3.01Å; L139-E141 HydrophobicContact CB-CB 4.45Å; L139-E141 PolarHBondContact O-N 3.26Å; L139-E141 VanDerWaalsContact O-N 3.14Å; L139-D142 PolarHBondContact N-OD2 3.05Å; L139-D142 VanDerWaalsContact O-CB 3.32Å; L139-D142 WeakPolarHBondContact O-CB 3.41Å; L139-D142 PolarHBondContact O-N 3.29Å |
| 140 | L | 74.6 | Confident | 73 | Confident | 126 Ų | 126 | 93.8 Ų | 93.8 | 66% | 0.66 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -56.3 | -31.1 | 170.1 | -177.4 | 63.6 | 0 | 0 | 0 | 110.8 | D142 D143 V146 | L140-D142 VanDerWaalsContact C-N 3.28Å; L140-D142 PolarHBondContact O-N 3.27Å; L140-D143 WeakPolarHBondContact O-CB 3.46Å; L140-D143 PolarHBondContact O-N 3Å; L140-V146 HydrophobicContact CD1-CG2 4.33Å; L140-V146 HydrophobicContact CG-CG1 4.25Å; L140-V146 HydrophobicContact CG-CG2 4.15Å; L140-V146 VanDerWaalsContact O-CB 3.31Å; L140-V146 WeakPolarHBondContact O-CB 3.1Å; L140-V146 WeakPolarHBondContact O-CG2 3.36Å |
| 141 | E | 73.6 | Confident | 73.4 | Confident | 20 Ų | 20 | 84.4 Ų | 84.4 | 9% | 0.093 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -75.2 | -6.8 | 175.3 | -60.5 | 77.3 | -177.7 | 0 | 0 | 115 | L120 K123 L139 V146 Y147 L150 | L120-E141 HydrophobicContact CD2-CB 3.46Å; L120-E141 VanDerWaalsContact CD2-CB 3.46Å; L120-E141 HydrophobicContact CD2-CG 4.08Å; K123-E141 WeakPolarHBondContact CD-OE1 3.41Å; K123-E141 IonicContact NZ-OE1 3.07Å; K123-E141 PolarHBondContact NZ-OE1 3.28Å; L139-E141 HydrophobicContact CB-CB 4.45Å; L139-E141 PolarHBondContact O-N 3.26Å; L139-E141 VanDerWaalsContact O-N 3.14Å; E141-V146 HydrophobicContact CB-CG1 4.45Å; E141-V146 HydrophobicContact CG-CG1 4.1Å; E141-Y147 WeakPolarHBondContact O-CB 3.36Å; E141-L150 HydrophobicContact CB-CD2 4.41Å; E141-L150 HydrophobicContact CG-CD2 3.83Å |
| 142 | D | 76.2 | Confident | 73.9 | Confident | 72 Ų | 72 | 83.7 Ų | 83.7 | 39% | 0.385 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -74.8 | -18.7 | 170.6 | -64.3 | -32.4 | 0 | 0 | 0 | 110.8 | R124 L139 L140 P144 | R124-D142 IonicContact CZ-OD1 2.61Å; R124-D142 IonicContact NH2-OD1 3.89Å; R124-D142 PolarHBondContact NH2-OD1 3.22Å; R124-D142 IonicContact NH2-OD2 2.78Å; L139-D142 PolarHBondContact N-OD2 3.05Å; L139-D142 VanDerWaalsContact O-CB 3.32Å; L139-D142 WeakPolarHBondContact O-CB 3.41Å; L139-D142 PolarHBondContact O-N 3.29Å; L140-D142 VanDerWaalsContact C-N 3.28Å; L140-D142 PolarHBondContact O-N 3.27Å; D142-P144 WeakPolarHBondContact O-CD 3.14Å |
| 143 | D | 80.2 | Confident | 74.7 | Confident | 76 Ų | 76 | 77.8 Ų | 77.8 | 41% | 0.406 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -62.9 | 123.4 | 166.7 | -175.2 | -26 | 0 | 0 | 0 | 109.6 | L140 D145 V146 Y147 | L140-D143 WeakPolarHBondContact O-CB 3.46Å; L140-D143 PolarHBondContact O-N 3Å; D143-D145 PolarHBondContact O-N 3.46Å; D143-D145 WeakPolarHBondContact OD1-CB 2.97Å; D143-D145 PolarHBondContact OD1-N 3.42Å; D143-V146 HydrophobicContact CB-CB 4.28Å; D143-V146 HydrophobicContact CB-CG2 4Å; D143-V146 PolarHBondContact O-N 3.05Å; D143-V146 VanDerWaalsContact O-N 3.14Å; D143-Y147 WeakPolarHBondContact O-CB 3.22Å; D143-Y147 PolarHBondContact O-N 2.84Å |
| 144 | P | 80.9 | Confident | 75.6 | Confident | 83 Ų | 83 | 70.9 Ų | 70.9 | 54% | 0.539 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -50.2 | -32.9 | 177.4 | -28.1 | 35.1 | 0 | 0 | 0 | 114.3 | D142 R148 | D142-P144 WeakPolarHBondContact O-CD 3.14Å; P144-R148 WeakPolarHBondContact O-CB 3.48Å; P144-R148 VanDerWaalsContact O-CG 3.22Å; P144-R148 WeakPolarHBondContact O-CG 3.46Å; P144-R148 PolarHBondContact O-N 3.14Å; P144-R148 VanDerWaalsContact O-N 3.09Å; P144-R148 PolarHBondContact O-NH1 3.07Å |
| 145 | D | 76.9 | Confident | 76.8 | Confident | 80 Ų | 80 | 69.9 Ų | 69.9 | 43% | 0.428 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -75 | -42.3 | -176.3 | -69.3 | 1.7 | 0 | 0 | 0 | 111.1 | D143 R148 R149 | D143-D145 PolarHBondContact O-N 3.46Å; D143-D145 WeakPolarHBondContact OD1-CB 2.97Å; D143-D145 PolarHBondContact OD1-N 3.42Å; D145-R148 IonicContact OD1-CZ 2.6Å; D145-R148 IonicContact OD1-NH1 3.39Å; D145-R148 PolarHBondContact OD1-NH1 3.03Å; D145-R148 IonicContact OD1-NH2 3.98Å; D145-R148 PolarHBondContact OD1-NH2 3.34Å; D145-R148 IonicContact OD2-NH2 3.82Å; D145-R149 PolarHBondContact O-N 3.34Å |
| 146 | V | 79.8 | Confident | 77.8 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 26% | 0.261 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.2 | -42.1 | 176.2 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | L140 E141 D143 R148 R149 L150 | L140-V146 HydrophobicContact CD1-CG2 4.33Å; L140-V146 HydrophobicContact CG-CG1 4.25Å; L140-V146 HydrophobicContact CG-CG2 4.15Å; L140-V146 VanDerWaalsContact O-CB 3.31Å; L140-V146 WeakPolarHBondContact O-CB 3.1Å; L140-V146 WeakPolarHBondContact O-CG2 3.36Å; E141-V146 HydrophobicContact CB-CG1 4.45Å; E141-V146 HydrophobicContact CG-CG1 4.1Å; D143-V146 HydrophobicContact CB-CB 4.28Å; D143-V146 HydrophobicContact CB-CG2 4Å; D143-V146 PolarHBondContact O-N 3.05Å; D143-V146 VanDerWaalsContact O-N 3.14Å; V146-R148 PolarHBondContact O-N 3.39Å; V146-R149 PolarHBondContact O-N 2.99Å; V146-L150 WeakPolarHBondContact O-CB 3.29Å; V146-L150 PolarHBondContact O-N 3.41Å |
| 147 | Y | 83.8 | Confident | 78.8 | Confident | 53 Ų | 53 | 66.9 Ų | 66.9 | 21% | 0.208 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 175.4 | -179.2 | -115 | 0 | 0 | 0 | 112.2 | T115 D116 L120 E141 D143 R149 L150 I151 | T115-Y147 HydrophobicContact CG2-CD2 4.4Å; T115-Y147 HydrophobicContact CG2-CE2 3.97Å; D116-Y147 VanDerWaalsContact OD1-CE2 3.3Å; D116-Y147 WeakPolarHBondContact OD1-CE2 3.2Å; D116-Y147 PolarHBondContact OD1-OH 2.93Å; D116-Y147 PolarHBondContact OD2-OH 3.42Å; L120-Y147 HydrophobicContact CD1-CD2 4.21Å; L120-Y147 HydrophobicContact CD1-CE2 3.93Å; E141-Y147 WeakPolarHBondContact O-CB 3.36Å; D143-Y147 WeakPolarHBondContact O-CB 3.22Å; D143-Y147 PolarHBondContact O-N 2.84Å; Y147-R149 VanDerWaalsContact C-N 3.31Å; Y147-R149 PolarHBondContact O-N 3.09Å; Y147-L150 WeakPolarHBondContact O-CB 3.29Å; Y147-L150 PolarHBondContact O-N 3.45Å; Y147-L150 VanDerWaalsContact O-N 3.14Å; Y147-I151 HydrophobicContact CD1-CD1 3.74Å; Y147-I151 HydrophobicContact CD2-CD1 4.45Å; Y147-I151 HydrophobicContact CE1-CD1 3.18Å; Y147-I151 HydrophobicContact CE1-CG1 4.19Å; Y147-I151 HydrophobicContact CE2-CD1 3.97Å; Y147-I151 HydrophobicContact CE2-CG1 4.12Å; Y147-I151 HydrophobicContact CG-CD1 4.35Å; Y147-I151 PolarHBondContact O-N 2.92Å |
| 148 | R | 79.6 | Confident | 79.9 | Confident | 115 Ų | 115 | 61.9 Ų | 61.9 | 43% | 0.434 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.4 | -44.9 | 176.1 | -76.7 | -169.9 | -43.6 | -90.3 | 14.8 | 111.2 | P144 D145 V146 L150 I151 W152 | P144-R148 WeakPolarHBondContact O-CB 3.48Å; P144-R148 VanDerWaalsContact O-CG 3.22Å; P144-R148 WeakPolarHBondContact O-CG 3.46Å; P144-R148 PolarHBondContact O-N 3.14Å; P144-R148 VanDerWaalsContact O-N 3.09Å; P144-R148 PolarHBondContact O-NH1 3.07Å; D145-R148 IonicContact OD1-CZ 2.6Å; D145-R148 IonicContact OD1-NH1 3.39Å; D145-R148 PolarHBondContact OD1-NH1 3.03Å; D145-R148 IonicContact OD1-NH2 3.98Å; D145-R148 PolarHBondContact OD1-NH2 3.34Å; D145-R148 IonicContact OD2-NH2 3.82Å; V146-R148 PolarHBondContact O-N 3.39Å; R148-L150 VanDerWaalsContact C-N 3.29Å; R148-L150 PolarHBondContact O-N 2.88Å; R148-I151 PolarHBondContact O-N 2.98Å; R148-W152 VanDerWaalsContact O-CB 3.29Å; R148-W152 WeakPolarHBondContact O-CB 3.46Å; R148-W152 PolarHBondContact O-N 2.92Å |
| 149 | R | 80.3 | Confident | 80.7 | Confident | 183 Ų | 183 | 58.5 Ų | 58.5 | 69% | 0.691 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.3 | -32.9 | 178.2 | -156.7 | 167.9 | -171.1 | 171.2 | 1.1 | 112.5 | D145 V146 Y147 W152 T153 | D145-R149 PolarHBondContact O-N 3.34Å; V146-R149 PolarHBondContact O-N 2.99Å; Y147-R149 VanDerWaalsContact C-N 3.31Å; Y147-R149 PolarHBondContact O-N 3.09Å; R149-W152 HydrophobicContact CG-CE3 4.49Å; R149-T153 WeakPolarHBondContact O-CB 3.42Å; R149-T153 PolarHBondContact O-N 3.46Å; R149-T153 PolarHBondContact O-OG1 3.24Å |
| 150 | L | 84.5 | Confident | 81.5 | Confident | 28 Ų | 28 | 58.3 Ų | 58.3 | 15% | 0.147 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.5 | -49.3 | 176.2 | -177.7 | 60.5 | 0 | 0 | 0 | 112.2 | T115 V119 L120 E141 V146 Y147 R148 W152 T153 N154 | T115-L150 HydrophobicContact CG2-CB 4.49Å; T115-L150 HydrophobicContact CG2-CD2 3.52Å; T115-L150 HydrophobicContact CG2-CG 3.71Å; V119-L150 HydrophobicContact CG1-CD1 4.36Å; V119-L150 HydrophobicContact CG1-CD2 4.06Å; L120-L150 HydrophobicContact CD2-CD2 4.35Å; E141-L150 HydrophobicContact CB-CD2 4.41Å; E141-L150 HydrophobicContact CG-CD2 3.83Å; V146-L150 WeakPolarHBondContact O-CB 3.29Å; V146-L150 PolarHBondContact O-N 3.41Å; Y147-L150 WeakPolarHBondContact O-CB 3.29Å; Y147-L150 PolarHBondContact O-N 3.45Å; Y147-L150 VanDerWaalsContact O-N 3.14Å; R148-L150 VanDerWaalsContact C-N 3.29Å; R148-L150 PolarHBondContact O-N 2.88Å; L150-W152 PolarHBondContact O-N 3.35Å; L150-T153 PolarHBondContact O-N 2.81Å; L150-N154 PolarHBondContact O-N 3.44Å |
| 151 | I | 84.9 | Confident | 82.1 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.3 | -44.8 | 174.3 | -68.9 | 165.9 | 0 | 0 | 0 | 109.8 | Y108 K112 T115 Y147 R148 N154 T155 | Y108-I151 HydrophobicContact CD2-CG2 4.22Å; Y108-I151 HydrophobicContact CE2-CG2 3.57Å; K112-I151 HydrophobicContact CG-CD1 4.42Å; T115-I151 HydrophobicContact CG2-CG1 4.27Å; Y147-I151 HydrophobicContact CD1-CD1 3.74Å; Y147-I151 HydrophobicContact CD2-CD1 4.45Å; Y147-I151 HydrophobicContact CE1-CD1 3.18Å; Y147-I151 HydrophobicContact CE1-CG1 4.19Å; Y147-I151 HydrophobicContact CE2-CD1 3.97Å; Y147-I151 HydrophobicContact CE2-CG1 4.12Å; Y147-I151 HydrophobicContact CG-CD1 4.35Å; Y147-I151 PolarHBondContact O-N 2.92Å; R148-I151 PolarHBondContact O-N 2.98Å; I151-N154 CarbonylContact O-C 3.57Å; I151-N154 PolarHBondContact O-N 3.17Å; I151-T155 WeakPolarHBondContact O-CB 3.49Å; I151-T155 PolarHBondContact O-N 3.19Å; I151-T155 PolarHBondContact O-OG1 3.14Å |
| 152 | W | 80 | Confident | 82.6 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 21% | 0.205 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.9 | -49.8 | 178.9 | 172.5 | 82.9 | 0 | 0 | 0 | 112.2 | F44 D50 R148 R149 L150 N154 T155 I156 | F44-W152 HydrophobicContact CD2-CH2 4.02Å; F44-W152 AromaticContact CD2-CZ2 3.55Å; F44-W152 HydrophobicContact CD2-CZ2 3.55Å; F44-W152 HydrophobicContact CE1-CZ2 4.28Å; F44-W152 AromaticContact CE2-CH2 3.4Å; F44-W152 HydrophobicContact CE2-CH2 3.4Å; F44-W152 VanDerWaalsContact CE2-CH2 3.4Å; F44-W152 AromaticContact CE2-CZ2 3.11Å; F44-W152 HydrophobicContact CE2-CZ2 3.11Å; F44-W152 HydrophobicContact CG-CZ2 4.35Å; F44-W152 HydrophobicContact CZ-CH2 4.04Å; F44-W152 AromaticContact CZ-CZ2 3.51Å; F44-W152 HydrophobicContact CZ-CZ2 3.51Å; D50-W152 PolarHBondContact OD1-NE1 3.41Å; R148-W152 VanDerWaalsContact O-CB 3.29Å; R148-W152 WeakPolarHBondContact O-CB 3.46Å; R148-W152 PolarHBondContact O-N 2.92Å; R149-W152 HydrophobicContact CG-CE3 4.49Å; L150-W152 PolarHBondContact O-N 3.35Å; W152-N154 VanDerWaalsContact C-N 3.29Å; W152-N154 PolarHBondContact O-N 2.87Å; W152-T155 WeakPolarHBondContact O-CB 3.32Å; W152-T155 PolarHBondContact O-N 3.31Å; W152-T155 VanDerWaalsContact O-N 3.11Å; W152-I156 HydrophobicContact CD2-CD1 3.83Å; W152-I156 VanDerWaalsContact CE2-CD1 3.45Å; W152-I156 HydrophobicContact CE3-CD1 4.19Å; W152-I156 HydrophobicContact CH2-CD1 3.91Å; W152-I156 HydrophobicContact CZ2-CD1 3.53Å; W152-I156 HydrophobicContact CZ3-CD1 4.21Å; W152-I156 PolarHBondContact O-N 3.32Å; W152-I156 VanDerWaalsContact O-N 3.07Å |
| 153 | T | 83.1 | Confident | 83 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 31% | 0.307 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.9 | -43 | 176.3 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | R149 L150 I156 K157 | R149-T153 WeakPolarHBondContact O-CB 3.42Å; R149-T153 PolarHBondContact O-N 3.46Å; R149-T153 PolarHBondContact O-OG1 3.24Å; L150-T153 PolarHBondContact O-N 2.81Å; T153-I156 PolarHBondContact O-N 2.93Å; T153-K157 WeakPolarHBondContact O-CG 3.39Å; T153-K157 PolarHBondContact O-N 2.91Å; T153-K157 VanDerWaalsContact O-N 3.16Å |
| 154 | N | 85.9 | Confident | 83.4 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 8% | 0.08 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.8 | -35.9 | 177.7 | -76.3 | -27 | 0 | 0 | 0 | 112.3 | A111 T115 L150 I151 W152 I156 K157 V158 | A111-N154 HydrophobicContact CB-CB 4.31Å; T115-N154 PolarHBondContact OG1-ND2 2.61Å; L150-N154 PolarHBondContact O-N 3.44Å; I151-N154 CarbonylContact O-C 3.57Å; I151-N154 PolarHBondContact O-N 3.17Å; W152-N154 VanDerWaalsContact C-N 3.29Å; W152-N154 PolarHBondContact O-N 2.87Å; N154-I156 VanDerWaalsContact C-N 3.31Å; N154-I156 PolarHBondContact O-N 3.15Å; N154-K157 WeakPolarHBondContact O-CB 3.46Å; N154-K157 PolarHBondContact O-N 3.14Å; N154-K157 VanDerWaalsContact O-N 3.13Å; N154-V158 VanDerWaalsContact O-CG2 3.31Å; N154-V158 WeakPolarHBondContact O-CG2 3.4Å; N154-V158 PolarHBondContact O-N 3.18Å |
| 155 | T | 84.7 | Confident | 83.9 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 4% | 0.043 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 176.1 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | I107 Y108 A111 I151 W152 K157 V158 F159 | I107-T155 HydrophobicContact CG2-CG2 4.22Å; Y108-T155 HydrophobicContact CD2-CG2 4.48Å; A111-T155 VanDerWaalsContact CB-CA 3.46Å; A111-T155 WeakPolarHBondContact CB-OG1 3.47Å; I151-T155 WeakPolarHBondContact O-CB 3.49Å; I151-T155 PolarHBondContact O-N 3.19Å; I151-T155 PolarHBondContact O-OG1 3.14Å; W152-T155 WeakPolarHBondContact O-CB 3.32Å; W152-T155 PolarHBondContact O-N 3.31Å; W152-T155 VanDerWaalsContact O-N 3.11Å; T155-K157 VanDerWaalsContact C-N 3.34Å; T155-K157 PolarHBondContact O-N 3.21Å; T155-V158 PolarHBondContact O-N 3.15Å; T155-F159 WeakPolarHBondContact O-CB 3.47Å; T155-F159 PolarHBondContact O-N 3.15Å |
| 156 | I | 82 | Confident | 84.4 | Confident | 40 Ų | 40 | 66.1 Ų | 66.1 | 21% | 0.205 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 175.3 | -65.5 | 167 | 0 | 0 | 0 | 110.9 | F44 W152 T153 N154 F159 A160 | F44-I156 HydrophobicContact CD2-CD1 4.2Å; W152-I156 HydrophobicContact CD2-CD1 3.83Å; W152-I156 VanDerWaalsContact CE2-CD1 3.45Å; W152-I156 HydrophobicContact CE3-CD1 4.19Å; W152-I156 HydrophobicContact CH2-CD1 3.91Å; W152-I156 HydrophobicContact CZ2-CD1 3.53Å; W152-I156 HydrophobicContact CZ3-CD1 4.21Å; W152-I156 PolarHBondContact O-N 3.32Å; W152-I156 VanDerWaalsContact O-N 3.07Å; T153-I156 PolarHBondContact O-N 2.93Å; N154-I156 VanDerWaalsContact C-N 3.31Å; N154-I156 PolarHBondContact O-N 3.15Å; I156-F159 PolarHBondContact O-N 3.05Å; I156-A160 WeakPolarHBondContact O-CB 3.19Å; I156-A160 PolarHBondContact O-N 2.94Å |
| 157 | K | 85.2 | Confident | 84.9 | Confident | 122 Ų | 122 | 70.3 Ų | 70.3 | 53% | 0.53 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 178.9 | -71.6 | 174.9 | -178.9 | 177.2 | 0 | 112.1 | T153 N154 T155 F159 A160 E161 | T153-K157 WeakPolarHBondContact O-CG 3.39Å; T153-K157 PolarHBondContact O-N 2.91Å; T153-K157 VanDerWaalsContact O-N 3.16Å; N154-K157 WeakPolarHBondContact O-CB 3.46Å; N154-K157 PolarHBondContact O-N 3.14Å; N154-K157 VanDerWaalsContact O-N 3.13Å; T155-K157 VanDerWaalsContact C-N 3.34Å; T155-K157 PolarHBondContact O-N 3.21Å; K157-F159 VanDerWaalsContact C-N 3.32Å; K157-F159 PolarHBondContact O-N 3.23Å; K157-A160 PolarHBondContact O-N 3.4Å; K157-E161 WeakPolarHBondContact O-CB 3.46Å; K157-E161 PolarHBondContact O-N 3.35Å |
| 158 | V | 87.1 | Confident | 85.3 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 177.7 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | I107 E110 A111 N154 T155 A160 E161 K162 | I107-V158 HydrophobicContact CG2-CB 4.2Å; I107-V158 HydrophobicContact CG2-CG1 3.93Å; E110-V158 HydrophobicContact CB-CG1 4.47Å; E110-V158 HydrophobicContact CG-CG1 4.18Å; A111-V158 HydrophobicContact CB-CG2 4.07Å; N154-V158 VanDerWaalsContact O-CG2 3.31Å; N154-V158 WeakPolarHBondContact O-CG2 3.4Å; N154-V158 PolarHBondContact O-N 3.18Å; T155-V158 PolarHBondContact O-N 3.15Å; V158-A160 PolarHBondContact O-N 3Å; V158-E161 PolarHBondContact O-N 3.49Å; V158-K162 HydrophobicContact CG1-CG 4.44Å; V158-K162 WeakPolarHBondContact O-CG 3.44Å; V158-K162 PolarHBondContact O-N 2.95Å |
| 159 | F | 83.1 | Confident | 86 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 16% | 0.162 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.3 | -49.7 | 177.9 | -162.3 | -71 | 0 | 0 | 0 | 111.3 | Y43 L46 I107 T155 I156 K157 E161 K162 E163 | Y43-F159 AromaticContact CD1-CD1 3.11Å; Y43-F159 HydrophobicContact CD1-CD1 3.11Å; Y43-F159 AromaticContact CD1-CE1 3.06Å; Y43-F159 HydrophobicContact CD1-CE1 3.06Å; Y43-F159 HydrophobicContact CD1-CG 4.28Å; Y43-F159 HydrophobicContact CD1-CZ 4.18Å; Y43-F159 HydrophobicContact CD2-CD1 4.35Å; Y43-F159 AromaticContact CE1-CD1 3.71Å; Y43-F159 HydrophobicContact CE1-CD1 3.71Å; Y43-F159 AromaticContact CE1-CE1 3.51Å; Y43-F159 HydrophobicContact CE1-CE1 3.51Å; Y43-F159 AromaticContact CG-CD1 3.46Å; Y43-F159 HydrophobicContact CG-CD1 3.46Å; Y43-F159 VanDerWaalsContact CG-CD1 3.46Å; Y43-F159 AromaticContact CG-CE1 3.91Å; Y43-F159 HydrophobicContact CG-CE1 3.91Å; Y43-F159 HydrophobicContact CG-CG 4.34Å; L46-F159 HydrophobicContact CD1-CZ 4.07Å; I107-F159 HydrophobicContact CD1-CD2 3.63Å; I107-F159 HydrophobicContact CD1-CE2 3.91Å; I107-F159 HydrophobicContact CD1-CG 4.42Å; I107-F159 HydrophobicContact CG2-CB 4.23Å; I107-F159 HydrophobicContact CG2-CD2 4.26Å; T155-F159 WeakPolarHBondContact O-CB 3.47Å; T155-F159 PolarHBondContact O-N 3.15Å; I156-F159 PolarHBondContact O-N 3.05Å; K157-F159 VanDerWaalsContact C-N 3.32Å; K157-F159 PolarHBondContact O-N 3.23Å; F159-E161 VanDerWaalsContact C-N 3.31Å; F159-E161 PolarHBondContact O-N 3.05Å; F159-K162 PolarHBondContact O-N 3.08Å; F159-E163 WeakPolarHBondContact O-CB 3.1Å; F159-E163 PolarHBondContact O-N 2.84Å |
| 160 | A | 84.4 | Confident | 86.6 | Confident | 13 Ų | 13 | 65.9 Ų | 65.9 | 11% | 0.107 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.4 | -37.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y43 I156 K157 V158 R164 | Y43-A160 HydrophobicContact CD2-CB 4.03Å; Y43-A160 HydrophobicContact CE2-CB 4.02Å; I156-A160 WeakPolarHBondContact O-CB 3.19Å; I156-A160 PolarHBondContact O-N 2.94Å; K157-A160 PolarHBondContact O-N 3.4Å; V158-A160 PolarHBondContact O-N 3Å; A160-R164 WeakPolarHBondContact O-CB 3.45Å; A160-R164 WeakPolarHBondContact O-CG 3.4Å; A160-R164 PolarHBondContact O-N 2.6Å |
| 161 | E | 88 | Confident | 87 | Confident | 87 Ų | 87 | 71.2 Ų | 71.2 | 41% | 0.407 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64 | -48.9 | 174.9 | -171.3 | -171 | 165.4 | 0 | 0 | 111.9 | R114 K157 V158 F159 E163 R164 K165 | R114-E161 IonicContact CZ-OE2 2.76Å; R114-E161 IonicContact NH1-OE2 3.87Å; R114-E161 PolarHBondContact NH1-OE2 3.03Å; R114-E161 IonicContact NH2-OE1 2.88Å; R114-E161 IonicContact NH2-OE2 3.22Å; R114-E161 PolarHBondContact NH2-OE2 3.39Å; R114-E161 VanDerWaalsContact NH2-OE2 3.16Å; K157-E161 WeakPolarHBondContact O-CB 3.46Å; K157-E161 PolarHBondContact O-N 3.35Å; V158-E161 PolarHBondContact O-N 3.49Å; F159-E161 VanDerWaalsContact C-N 3.31Å; F159-E161 PolarHBondContact O-N 3.05Å; E161-E163 VanDerWaalsContact C-N 3.31Å; E161-E163 PolarHBondContact O-N 3.26Å; E161-R164 PolarHBondContact O-N 3.24Å; E161-K165 WeakPolarHBondContact O-CB 3.39Å; E161-K165 PolarHBondContact O-N 3.47Å |
| 162 | K | 84.9 | Confident | 87.4 | Confident | 87 Ų | 87 | 78.7 Ų | 78.7 | 38% | 0.378 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 177.7 | -69.9 | -157.3 | -171.7 | -158.5 | 0 | 112.2 | I107 E110 V158 F159 K165 R166 | I107-K162 HydrophobicContact CD1-CD 4.43Å; I107-K162 HydrophobicContact CG1-CD 4.03Å; E110-K162 WeakPolarHBondContact OE2-CE 2.96Å; E110-K162 IonicContact OE2-NZ 3.34Å; E110-K162 PolarHBondContact OE2-NZ 2.81Å; V158-K162 HydrophobicContact CG1-CG 4.44Å; V158-K162 WeakPolarHBondContact O-CG 3.44Å; V158-K162 PolarHBondContact O-N 2.95Å; F159-K162 PolarHBondContact O-N 3.08Å; K162-K165 PolarHBondContact O-N 3.38Å; K162-R166 WeakPolarHBondContact O-CB 2.96Å; K162-R166 PolarHBondContact O-N 3.11Å |
| 163 | E | 83.7 | Confident | 88.1 | Confident | 33 Ų | 33 | 80.4 Ų | 80.4 | 15% | 0.154 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.3 | -39.3 | 178.7 | -176.8 | 53.2 | -156.9 | 0 | 0 | 111.9 | Y43 F159 E161 K165 R166 R167 | Y43-E163 HydrophobicContact CE1-CB 4.14Å; Y43-E163 HydrophobicContact CE1-CG 3.85Å; Y43-E163 WeakPolarHBondContact OH-CG 3.03Å; F159-E163 WeakPolarHBondContact O-CB 3.1Å; F159-E163 PolarHBondContact O-N 2.84Å; E161-E163 VanDerWaalsContact C-N 3.31Å; E161-E163 PolarHBondContact O-N 3.26Å; E163-K165 VanDerWaalsContact C-N 3.33Å; E163-K165 PolarHBondContact O-N 2.78Å; E163-R166 PolarHBondContact O-N 2.87Å; E163-R166 IonicContact OE1-CZ 2.65Å; E163-R166 IonicContact OE1-NE 3.31Å; E163-R166 PolarHBondContact OE1-NE 3.31Å; E163-R166 IonicContact OE1-NH2 3.95Å; E163-R166 PolarHBondContact OE1-NH2 3.41Å; E163-R166 IonicContact OE2-CZ 3.16Å; E163-R166 IonicContact OE2-NE 2.67Å; E163-R166 PolarHBondContact OE2-NE 2.95Å; E163-R166 IonicContact OE2-NH2 3.46Å; E163-R167 WeakPolarHBondContact O-CG 3.3Å; E163-R167 PolarHBondContact O-N 2.99Å; E163-R167 IonicContact OE1-NE 2.77Å; E163-R167 PolarHBondContact OE1-NE 2.86Å |
| 164 | R | 88.3 | Confident | 88.7 | Confident | 152 Ų | 152 | 82.7 Ų | 82.7 | 57% | 0.574 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -58.9 | -45.6 | 170 | -80.2 | -172.6 | -120.9 | 102.2 | 0.9 | 111.4 | A160 E161 R166 R167 A168 | A160-R164 WeakPolarHBondContact O-CB 3.45Å; A160-R164 WeakPolarHBondContact O-CG 3.4Å; A160-R164 PolarHBondContact O-N 2.6Å; E161-R164 PolarHBondContact O-N 3.24Å; R164-R166 VanDerWaalsContact C-N 3.32Å; R164-R166 PolarHBondContact O-N 3.05Å; R164-R167 PolarHBondContact O-N 3.21Å; R164-A168 WeakPolarHBondContact O-CB 3.48Å; R164-A168 PolarHBondContact O-N 2.87Å |
| 165 | K | 91.5 | Very high | 89 | Confident | 163 Ų | 163 | 88.3 Ų | 88.3 | 71% | 0.709 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.9 | -39.5 | 177.5 | -168.9 | 174.9 | -176.6 | 175.8 | 0 | 112 | E161 K162 E163 L169 | E161-K165 WeakPolarHBondContact O-CB 3.39Å; E161-K165 PolarHBondContact O-N 3.47Å; K162-K165 PolarHBondContact O-N 3.38Å; E163-K165 VanDerWaalsContact C-N 3.33Å; E163-K165 PolarHBondContact O-N 2.78Å; K165-L169 WeakPolarHBondContact O-CB 3.49Å; K165-L169 PolarHBondContact O-N 3.4Å |
| 166 | R | 88.6 | Confident | 89.4 | Confident | 100 Ų | 100 | 91.5 Ų | 91.5 | 38% | 0.377 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 175.7 | -169.5 | -165.6 | 69.7 | 76.1 | 0.7 | 111.7 | K162 E163 R164 L169 M170 | K162-R166 WeakPolarHBondContact O-CB 2.96Å; K162-R166 PolarHBondContact O-N 3.11Å; E163-R166 PolarHBondContact O-N 2.87Å; E163-R166 IonicContact OE1-CZ 2.65Å; E163-R166 IonicContact OE1-NE 3.31Å; E163-R166 PolarHBondContact OE1-NE 3.31Å; E163-R166 IonicContact OE1-NH2 3.95Å; E163-R166 PolarHBondContact OE1-NH2 3.41Å; E163-R166 IonicContact OE2-CZ 3.16Å; E163-R166 IonicContact OE2-NE 2.67Å; E163-R166 PolarHBondContact OE2-NE 2.95Å; E163-R166 IonicContact OE2-NH2 3.46Å; R164-R166 VanDerWaalsContact C-N 3.32Å; R164-R166 PolarHBondContact O-N 3.05Å; R166-L169 PolarHBondContact O-N 3.13Å; R166-M170 WeakPolarHBondContact O-CB 3.37Å; R166-M170 PolarHBondContact O-N 2.87Å |
| 167 | R | 89.2 | Confident | 90 | Very high | 130 Ų | 130 | 95 Ų | 95 | 49% | 0.491 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 178.1 | -68 | -176.5 | -150.7 | 169.8 | -0.1 | 112 | Y43 E163 R164 L169 M170 E171 | Y43-R167 PolarHBondContact OH-NH2 3.4Å; E163-R167 WeakPolarHBondContact O-CG 3.3Å; E163-R167 PolarHBondContact O-N 2.99Å; E163-R167 IonicContact OE1-NE 2.77Å; E163-R167 PolarHBondContact OE1-NE 2.86Å; R164-R167 PolarHBondContact O-N 3.21Å; R167-L169 VanDerWaalsContact C-N 3.29Å; R167-L169 PolarHBondContact O-N 3.37Å; R167-M170 PolarHBondContact O-N 3.46Å; R167-E171 WeakPolarHBondContact O-CB 3.31Å; R167-E171 PolarHBondContact O-N 3.05Å |
| 168 | A | 93.3 | Very high | 90.5 | Very high | 56 Ų | 56 | 94.3 Ų | 94.3 | 46% | 0.463 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R164 R172 | R164-A168 WeakPolarHBondContact O-CB 3.48Å; R164-A168 PolarHBondContact O-N 2.87Å; A168-R172 WeakPolarHBondContact O-CB 3.34Å; A168-R172 PolarHBondContact O-N 3.34Å |
| 169 | L | 93.6 | Very high | 90.7 | Very high | 98 Ų | 98 | 98.6 Ų | 98.6 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 175.3 | -176.2 | 63.8 | 0 | 0 | 0 | 111.7 | K165 R166 R167 E171 R172 E173 | K165-L169 WeakPolarHBondContact O-CB 3.49Å; K165-L169 PolarHBondContact O-N 3.4Å; R166-L169 PolarHBondContact O-N 3.13Å; R167-L169 VanDerWaalsContact C-N 3.29Å; R167-L169 PolarHBondContact O-N 3.37Å; L169-E171 VanDerWaalsContact C-N 3.34Å; L169-E171 PolarHBondContact O-N 2.89Å; L169-R172 PolarHBondContact O-N 3.11Å; L169-E173 WeakPolarHBondContact O-CG 3.21Å; L169-E173 PolarHBondContact O-N 2.81Å |
| 170 | M | 92.4 | Very high | 91.2 | Very high | 104 Ų | 104 | 101 Ų | 101 | 51% | 0.512 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 178.7 | -174.7 | 176.3 | 177.3 | 0 | 0 | 112.2 | R166 R167 E173 M174 | R166-M170 WeakPolarHBondContact O-CB 3.37Å; R166-M170 PolarHBondContact O-N 2.87Å; R167-M170 PolarHBondContact O-N 3.46Å; M170-E173 PolarHBondContact O-N 3.18Å; M170-M174 VanDerWaalsContact O-CG 3.28Å; M170-M174 WeakPolarHBondContact O-CG 3.45Å; M170-M174 PolarHBondContact O-N 2.99Å; M170-M174 VanDerWaalsContact O-N 3.08Å |
| 171 | E | 93.5 | Very high | 91.5 | Very high | 141 Ų | 141 | 106.1 Ų | 106.1 | 66% | 0.659 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.6 | -46.4 | 175.5 | -176.3 | 169.1 | -159.1 | 0 | 0 | 111.3 | R167 L169 E173 M174 E175 | R167-E171 WeakPolarHBondContact O-CB 3.31Å; R167-E171 PolarHBondContact O-N 3.05Å; L169-E171 VanDerWaalsContact C-N 3.34Å; L169-E171 PolarHBondContact O-N 2.89Å; E171-E173 PolarHBondContact O-N 2.98Å; E171-M174 WeakPolarHBondContact O-CB 3.46Å; E171-M174 PolarHBondContact O-N 3.45Å; E171-E175 PolarHBondContact O-N 3Å |
| 172 | R | 93.5 | Very high | 91.6 | Very high | 162 Ų | 162 | 111.1 Ų | 111.1 | 61% | 0.611 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.2 | -43.9 | 175 | -175.5 | 177.8 | 179.4 | 164.7 | 3.6 | 112.6 | A168 L169 M174 E175 D176 | A168-R172 WeakPolarHBondContact O-CB 3.34Å; A168-R172 PolarHBondContact O-N 3.34Å; L169-R172 PolarHBondContact O-N 3.11Å; R172-M174 VanDerWaalsContact C-N 3.27Å; R172-M174 PolarHBondContact O-N 2.95Å; R172-E175 PolarHBondContact O-N 3.38Å; R172-D176 WeakPolarHBondContact O-CB 3.35Å; R172-D176 VanDerWaalsContact O-CG 3.3Å; R172-D176 PolarHBondContact O-N 2.85Å |
| 173 | E | 94.5 | Very high | 91.9 | Very high | 91 Ų | 91 | 110.7 Ų | 110.7 | 43% | 0.425 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -35.6 | 176.8 | -75.5 | 174.9 | -170.6 | 0 | 0 | 112.5 | L169 M170 E171 K177 | L169-E173 WeakPolarHBondContact O-CG 3.21Å; L169-E173 PolarHBondContact O-N 2.81Å; M170-E173 PolarHBondContact O-N 3.18Å; E171-E173 PolarHBondContact O-N 2.98Å; E173-K177 WeakPolarHBondContact O-CB 3.28Å; E173-K177 WeakPolarHBondContact O-CD 3.38Å; E173-K177 WeakPolarHBondContact O-CG 3.45Å; E173-K177 PolarHBondContact O-N 3.49Å |
| 174 | M | 94.5 | Very high | 92.2 | Very high | 98 Ų | 98 | 115.5 Ų | 115.5 | 48% | 0.483 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.3 | -42 | 175.5 | -71.9 | -64.6 | -66.1 | 0 | 0 | 111.4 | M170 E171 R172 K177 L178 | M170-M174 VanDerWaalsContact O-CG 3.28Å; M170-M174 WeakPolarHBondContact O-CG 3.45Å; M170-M174 PolarHBondContact O-N 2.99Å; M170-M174 VanDerWaalsContact O-N 3.08Å; E171-M174 WeakPolarHBondContact O-CB 3.46Å; E171-M174 PolarHBondContact O-N 3.45Å; R172-M174 VanDerWaalsContact C-N 3.27Å; R172-M174 PolarHBondContact O-N 2.95Å; M174-K177 PolarHBondContact O-N 3.13Å; M174-K177 HydrophobicContact SD-CD 4.45Å; M174-L178 WeakPolarHBondContact O-CG 3.48Å; M174-L178 PolarHBondContact O-N 3.39Å |
| 175 | E | 93.3 | Very high | 92.2 | Very high | 132 Ų | 132 | 113.4 Ų | 113.4 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.3 | -44.7 | 175.3 | -172.4 | 171.2 | -150.9 | 0 | 0 | 111.8 | E171 R172 K177 L178 N179 | E171-E175 PolarHBondContact O-N 3Å; R172-E175 PolarHBondContact O-N 3.38Å; E175-K177 VanDerWaalsContact C-N 3.33Å; E175-K177 PolarHBondContact O-N 3.36Å; E175-L178 PolarHBondContact O-N 3.13Å; E175-N179 WeakPolarHBondContact O-CB 3.45Å; E175-N179 PolarHBondContact O-N 3.47Å |
| 176 | D | 93.8 | Very high | 92 | Very high | 74 Ų | 74 | 113.1 Ų | 113.1 | 40% | 0.396 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 175.6 | -73.7 | -24 | 0 | 0 | 0 | 111 | R172 N179 I180 | R172-D176 WeakPolarHBondContact O-CB 3.35Å; R172-D176 VanDerWaalsContact O-CG 3.3Å; R172-D176 PolarHBondContact O-N 2.85Å; D176-N179 PolarHBondContact O-N 3.37Å; D176-I180 WeakPolarHBondContact O-CB 3.33Å; D176-I180 WeakPolarHBondContact O-CD1 3.34Å; D176-I180 WeakPolarHBondContact O-CG1 3.39Å; D176-I180 PolarHBondContact O-N 3.37Å |
| 177 | K | 94.5 | Very high | 91.8 | Very high | 114 Ų | 114 | 114.4 Ų | 114.4 | 50% | 0.496 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 174.3 | -76.5 | 168.9 | -172.1 | 171.2 | 0 | 112.2 | E173 M174 E175 I180 Q181 | E173-K177 WeakPolarHBondContact O-CB 3.28Å; E173-K177 WeakPolarHBondContact O-CD 3.38Å; E173-K177 WeakPolarHBondContact O-CG 3.45Å; E173-K177 PolarHBondContact O-N 3.49Å; M174-K177 PolarHBondContact O-N 3.13Å; M174-K177 HydrophobicContact SD-CD 4.45Å; E175-K177 VanDerWaalsContact C-N 3.33Å; E175-K177 PolarHBondContact O-N 3.36Å; K177-I180 PolarHBondContact O-N 3.18Å; K177-Q181 WeakPolarHBondContact O-CG 3.46Å; K177-Q181 PolarHBondContact O-N 3.06Å |
| 178 | L | 94.3 | Very high | 91.4 | Very high | 107 Ų | 107 | 112.5 Ų | 112.5 | 56% | 0.56 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | 177.1 | -73.1 | 171.9 | 0 | 0 | 0 | 111.4 | M174 E175 Q181 R182 | M174-L178 WeakPolarHBondContact O-CG 3.48Å; M174-L178 PolarHBondContact O-N 3.39Å; E175-L178 PolarHBondContact O-N 3.13Å; L178-Q181 PolarHBondContact O-N 3.15Å; L178-R182 WeakPolarHBondContact O-CB 3.27Å; L178-R182 PolarHBondContact O-N 2.86Å |
| 179 | N | 92.1 | Very high | 90.7 | Very high | 91 Ų | 91 | 115.4 Ų | 115.4 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 176.6 | -168.7 | 30.9 | 0 | 0 | 0 | 110.9 | E175 D176 Q181 R182 T183 | E175-N179 WeakPolarHBondContact O-CB 3.45Å; E175-N179 PolarHBondContact O-N 3.47Å; D176-N179 PolarHBondContact O-N 3.37Å; N179-Q181 VanDerWaalsContact C-N 3.3Å; N179-Q181 PolarHBondContact O-N 2.84Å; N179-R182 WeakPolarHBondContact O-CB 3.48Å; N179-R182 PolarHBondContact O-N 3.45Å; N179-R182 VanDerWaalsContact O-N 3.11Å; N179-T183 PolarHBondContact O-N 2.84Å; N179-T183 PolarHBondContact O-OG1 3.04Å |
| 180 | I | 93.8 | Very high | 90.1 | Very high | 89 Ų | 89 | 113.4 Ų | 113.4 | 46% | 0.456 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.9 | -42.5 | 174.6 | -69.5 | 162.6 | 0 | 0 | 0 | 111.1 | D176 K177 K184 | D176-I180 WeakPolarHBondContact O-CB 3.33Å; D176-I180 WeakPolarHBondContact O-CD1 3.34Å; D176-I180 WeakPolarHBondContact O-CG1 3.39Å; D176-I180 PolarHBondContact O-N 3.37Å; K177-I180 PolarHBondContact O-N 3.18Å; I180-K184 HydrophobicContact CG2-CD 4.04Å; I180-K184 HydrophobicContact CG2-CG 4.47Å; I180-K184 WeakPolarHBondContact O-CB 3.4Å; I180-K184 VanDerWaalsContact O-CG 3.24Å; I180-K184 WeakPolarHBondContact O-CG 3.46Å; I180-K184 PolarHBondContact O-N 3.3Å |
| 181 | Q | 90.1 | Very high | 89.2 | Confident | 120 Ų | 120 | 110.2 Ų | 110.2 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.4 | -45 | 175.5 | -75.1 | -175.5 | 23.6 | 0 | 0 | 111.5 | K177 L178 N179 T183 K184 L185 | K177-Q181 WeakPolarHBondContact O-CG 3.46Å; K177-Q181 PolarHBondContact O-N 3.06Å; L178-Q181 PolarHBondContact O-N 3.15Å; N179-Q181 VanDerWaalsContact C-N 3.3Å; N179-Q181 PolarHBondContact O-N 2.84Å; Q181-T183 PolarHBondContact O-N 3.28Å; Q181-K184 PolarHBondContact O-N 2.89Å; Q181-L185 WeakPolarHBondContact O-CG 3.28Å; Q181-L185 PolarHBondContact O-N 2.98Å |
| 182 | R | 90.2 | Very high | 88 | Confident | 192 Ų | 192 | 110.1 Ų | 110.1 | 73% | 0.725 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -42.6 | 177.8 | -167.8 | 176.3 | -174.7 | 166.2 | 1.8 | 112.1 | L178 N179 L185 Y186 | L178-R182 WeakPolarHBondContact O-CB 3.27Å; L178-R182 PolarHBondContact O-N 2.86Å; N179-R182 WeakPolarHBondContact O-CB 3.48Å; N179-R182 PolarHBondContact O-N 3.45Å; N179-R182 VanDerWaalsContact O-N 3.11Å; R182-L185 PolarHBondContact O-N 3.37Å; R182-Y186 WeakPolarHBondContact O-CB 3.32Å; R182-Y186 PolarHBondContact O-N 3.49Å |
| 183 | T | 91.2 | Very high | 86.8 | Confident | 78 Ų | 78 | 107.3 Ų | 107.3 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 175.2 | -50.7 | 0 | 0 | 0 | 0 | 111.4 | N179 Q181 Y186 F187 | N179-T183 PolarHBondContact O-N 2.84Å; N179-T183 PolarHBondContact O-OG1 3.04Å; Q181-T183 PolarHBondContact O-N 3.28Å; T183-Y186 PolarHBondContact O-N 3.31Å; T183-F187 WeakPolarHBondContact O-CB 3.44Å; T183-F187 PolarHBondContact O-N 2.93Å |
| 184 | K | 89.8 | Confident | 85.5 | Confident | 134 Ų | 134 | 104.2 Ų | 104.2 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 175.3 | -76.8 | 174.6 | 179.8 | -178.9 | 0 | 112.1 | I180 Q181 F187 N188 | I180-K184 HydrophobicContact CG2-CD 4.04Å; I180-K184 HydrophobicContact CG2-CG 4.47Å; I180-K184 WeakPolarHBondContact O-CB 3.4Å; I180-K184 VanDerWaalsContact O-CG 3.24Å; I180-K184 WeakPolarHBondContact O-CG 3.46Å; I180-K184 PolarHBondContact O-N 3.3Å; Q181-K184 PolarHBondContact O-N 2.89Å; K184-F187 PolarHBondContact O-N 2.98Å; K184-N188 WeakPolarHBondContact O-CB 3.33Å; K184-N188 VanDerWaalsContact O-CG 3.22Å; K184-N188 PolarHBondContact O-N 3.16Å; K184-N188 PolarHBondContact O-ND2 3.49Å |
| 185 | L | 88.6 | Confident | 84 | Confident | 107 Ų | 107 | 103.8 Ų | 103.8 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.6 | -47.8 | 175.6 | -72.2 | 174.2 | 0 | 0 | 0 | 111.1 | Q181 R182 F187 N188 E189 | Q181-L185 WeakPolarHBondContact O-CG 3.28Å; Q181-L185 PolarHBondContact O-N 2.98Å; R182-L185 PolarHBondContact O-N 3.37Å; L185-F187 PolarHBondContact O-N 3.32Å; L185-N188 PolarHBondContact O-N 3.15Å; L185-E189 WeakPolarHBondContact O-CG 3.45Å; L185-E189 PolarHBondContact O-N 2.89Å |
| 186 | Y | 87.2 | Confident | 82.7 | Confident | 157 Ų | 157 | 99.4 Ų | 99.4 | 62% | 0.616 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.6 | -45.2 | 176.8 | -179.4 | -100.8 | 0 | 0 | 0 | 112.5 | R182 T183 E189 T190 | R182-Y186 WeakPolarHBondContact O-CB 3.32Å; R182-Y186 PolarHBondContact O-N 3.49Å; T183-Y186 PolarHBondContact O-N 3.31Å; Y186-E189 PolarHBondContact O-N 2.89Å; Y186-T190 HydrophobicContact CD1-CG2 4.3Å; Y186-T190 HydrophobicContact CD2-CG2 4.5Å; Y186-T190 HydrophobicContact CE1-CG2 3.86Å; Y186-T190 HydrophobicContact CE2-CG2 4.08Å; Y186-T190 WeakPolarHBondContact O-CG2 3.49Å; Y186-T190 PolarHBondContact O-N 3.47Å; Y186-T190 PolarHBondContact O-OG1 3.2Å |
| 187 | F | 84.1 | Confident | 81 | Confident | 127 Ų | 127 | 101.9 Ų | 101.9 | 56% | 0.557 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.8 | -39 | 177.1 | -174.3 | -96.3 | 0 | 0 | 0 | 112.3 | T183 K184 L185 T190 T191 | T183-F187 WeakPolarHBondContact O-CB 3.44Å; T183-F187 PolarHBondContact O-N 2.93Å; K184-F187 PolarHBondContact O-N 2.98Å; L185-F187 PolarHBondContact O-N 3.32Å; F187-T190 WeakPolarHBondContact CA-OG1 3.43Å; F187-T190 PolarHBondContact O-OG1 2.68Å; F187-T190 VanDerWaalsContact O-OG1 3.1Å; F187-T191 HydrophobicContact CD1-CG2 3.95Å; F187-T191 HydrophobicContact CD2-CG2 4.44Å; F187-T191 HydrophobicContact CE1-CG2 3.53Å; F187-T191 HydrophobicContact CE2-CG2 4.07Å; F187-T191 HydrophobicContact CG-CG2 4.39Å; F187-T191 HydrophobicContact CZ-CG2 3.59Å; F187-T191 WeakPolarHBondContact O-CB 3.27Å; F187-T191 VanDerWaalsContact O-CG2 3.27Å; F187-T191 WeakPolarHBondContact O-CG2 3.46Å; F187-T191 PolarHBondContact O-N 3.27Å; F187-T191 PolarHBondContact O-OG1 3.39Å |
| 188 | N | 82.3 | Confident | 79.5 | Confident | 90 Ų | 90 | 102.5 Ų | 102.5 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 174.2 | -75.5 | -18.4 | 0 | 0 | 0 | 111.4 | K184 L185 T191 Q192 | K184-N188 WeakPolarHBondContact O-CB 3.33Å; K184-N188 VanDerWaalsContact O-CG 3.22Å; K184-N188 PolarHBondContact O-N 3.16Å; K184-N188 PolarHBondContact O-ND2 3.49Å; L185-N188 PolarHBondContact O-N 3.15Å; N188-T191 WeakPolarHBondContact CA-OG1 3.47Å; N188-T191 PolarHBondContact O-OG1 2.92Å; N188-T191 VanDerWaalsContact O-OG1 3.09Å; N188-Q192 VanDerWaalsContact O-CB 3.24Å; N188-Q192 WeakPolarHBondContact O-CB 3.38Å; N188-Q192 WeakPolarHBondContact O-CG 3.27Å; N188-Q192 PolarHBondContact O-N 3.09Å |
| 189 | E | 78.4 | Confident | 78.5 | Confident | 118 Ų | 118 | 100.6 Ų | 100.6 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63 | -45.7 | 175.3 | -73.8 | 176.4 | 178 | 0 | 0 | 111.9 | L185 Y186 Q192 N193 | L185-E189 WeakPolarHBondContact O-CG 3.45Å; L185-E189 PolarHBondContact O-N 2.89Å; Y186-E189 PolarHBondContact O-N 2.89Å; E189-Q192 PolarHBondContact O-N 2.83Å; E189-N193 WeakPolarHBondContact O-CB 3.31Å; E189-N193 PolarHBondContact O-N 2.93Å; E189-N193 PolarHBondContact O-ND2 3.24Å; E189-N193 VanDerWaalsContact O-ND2 3.11Å |
| 190 | T | 80.6 | Confident | 77.8 | Confident | 55 Ų | 55 | 104.5 Ų | 104.5 | 34% | 0.337 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.9 | -37.7 | 179.7 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | Y186 F187 G194 | Y186-T190 HydrophobicContact CD1-CG2 4.3Å; Y186-T190 HydrophobicContact CD2-CG2 4.5Å; Y186-T190 HydrophobicContact CE1-CG2 3.86Å; Y186-T190 HydrophobicContact CE2-CG2 4.08Å; Y186-T190 WeakPolarHBondContact O-CG2 3.49Å; Y186-T190 PolarHBondContact O-N 3.47Å; Y186-T190 PolarHBondContact O-OG1 3.2Å; F187-T190 WeakPolarHBondContact CA-OG1 3.43Å; F187-T190 PolarHBondContact O-OG1 2.68Å; F187-T190 VanDerWaalsContact O-OG1 3.1Å; T190-G194 WeakPolarHBondContact O-CA 3.41Å; T190-G194 PolarHBondContact O-N 3.43Å |
| 191 | T | 74.2 | Confident | 77.1 | Confident | 38 Ų | 38 | 105 Ų | 105 | 23% | 0.233 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -70.9 | -39.1 | 174.7 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | F187 N188 N195 | F187-T191 HydrophobicContact CD1-CG2 3.95Å; F187-T191 HydrophobicContact CD2-CG2 4.44Å; F187-T191 HydrophobicContact CE1-CG2 3.53Å; F187-T191 HydrophobicContact CE2-CG2 4.07Å; F187-T191 HydrophobicContact CG-CG2 4.39Å; F187-T191 HydrophobicContact CZ-CG2 3.59Å; F187-T191 WeakPolarHBondContact O-CB 3.27Å; F187-T191 VanDerWaalsContact O-CG2 3.27Å; F187-T191 WeakPolarHBondContact O-CG2 3.46Å; F187-T191 PolarHBondContact O-N 3.27Å; F187-T191 PolarHBondContact O-OG1 3.39Å; N188-T191 WeakPolarHBondContact CA-OG1 3.47Å; N188-T191 PolarHBondContact O-OG1 2.92Å; N188-T191 VanDerWaalsContact O-OG1 3.09Å; T191-N195 WeakPolarHBondContact O-CB 3.19Å; T191-N195 PolarHBondContact O-N 3.16Å; T191-N195 PolarHBondContact O-OD1 3.32Å |
| 192 | Q | 67.5 | Low | 76.5 | Confident | 138 Ų | 138 | 104.4 Ų | 104.4 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.3 | -41.8 | 174 | -70.4 | -68.9 | -35.6 | 0 | 0 | 111.2 | N188 E189 G196 | N188-Q192 VanDerWaalsContact O-CB 3.24Å; N188-Q192 WeakPolarHBondContact O-CB 3.38Å; N188-Q192 WeakPolarHBondContact O-CG 3.27Å; N188-Q192 PolarHBondContact O-N 3.09Å; E189-Q192 PolarHBondContact O-N 2.83Å; Q192-G196 PolarHBondContact O-N 3.01Å |
| 193 | N | 67.4 | Low | 76 | Confident | 104 Ų | 104 | 103.3 Ų | 103.3 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.6 | -45.1 | 175.9 | -70.6 | -23 | 0 | 0 | 0 | 111.7 | E189 G196 M197 | E189-N193 WeakPolarHBondContact O-CB 3.31Å; E189-N193 PolarHBondContact O-N 2.93Å; E189-N193 PolarHBondContact O-ND2 3.24Å; E189-N193 VanDerWaalsContact O-ND2 3.11Å; N193-G196 PolarHBondContact O-N 3.25Å; N193-M197 WeakPolarHBondContact O-CG 3.19Å; N193-M197 PolarHBondContact O-N 3.34Å |
| 194 | G | 67 | Low | 75.5 | Confident | 25 Ų | 25 | 102 Ų | 102 | 26% | 0.258 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -51.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T190 G196 M197 E198 | T190-G194 WeakPolarHBondContact O-CA 3.41Å; T190-G194 PolarHBondContact O-N 3.43Å; G194-G196 PolarHBondContact O-N 3.29Å; G194-M197 PolarHBondContact O-N 2.73Å; G194-E198 PolarHBondContact O-N 2.85Å |
| 195 | N | 63.7 | Low | 75.1 | Confident | 90 Ų | 90 | 99 Ų | 99 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.7 | -36.9 | 173.8 | -71 | 8.2 | 0 | 0 | 0 | 110.6 | T191 T199 | T191-N195 WeakPolarHBondContact O-CB 3.19Å; T191-N195 PolarHBondContact O-N 3.16Å; T191-N195 PolarHBondContact O-OD1 3.32Å; N195-T199 WeakPolarHBondContact O-CB 3.46Å; N195-T199 PolarHBondContact O-N 3.33Å; N195-T199 PolarHBondContact O-OG1 3.11Å |
| 196 | G | 66.1 | Low | 74.6 | Confident | 39 Ų | 39 | 97.6 Ų | 97.6 | 40% | 0.402 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q192 N193 G194 R200 | Q192-G196 PolarHBondContact O-N 3.01Å; N193-G196 PolarHBondContact O-N 3.25Å; G194-G196 PolarHBondContact O-N 3.29Å; G196-R200 VanDerWaalsContact O-CB 3.28Å; G196-R200 WeakPolarHBondContact O-CB 3.42Å; G196-R200 PolarHBondContact O-N 3.37Å |
| 197 | M | 57.4 | Low | 74.4 | Confident | 127 Ų | 127 | 97.6 Ų | 97.6 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -73.4 | -47.8 | 177.7 | -69.5 | -170.6 | -170.3 | 0 | 0 | 112.4 | N193 G194 T199 R200 D201 | N193-M197 WeakPolarHBondContact O-CG 3.19Å; N193-M197 PolarHBondContact O-N 3.34Å; G194-M197 PolarHBondContact O-N 2.73Å; M197-T199 PolarHBondContact O-N 2.92Å; M197-R200 CarbonylContact O-C 3.54Å; M197-R200 WeakPolarHBondContact O-CA 3.37Å; M197-R200 WeakPolarHBondContact O-CB 3.4Å; M197-R200 PolarHBondContact O-N 3.2Å; M197-R200 VanDerWaalsContact O-N 3.07Å; M197-D201 PolarHBondContact O-N 3.38Å |
| 198 | E | 64.2 | Low | 74.2 | Confident | 126 Ų | 126 | 97.4 Ų | 97.4 | 59% | 0.589 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.4 | -47.1 | 178 | -70.4 | 179.5 | 178.6 | 0 | 0 | 110.9 | G194 R200 D201 D202 | G194-E198 PolarHBondContact O-N 2.85Å; E198-R200 PolarHBondContact O-N 2.82Å; E198-D201 PolarHBondContact O-N 3.49Å; E198-D201 VanDerWaalsContact O-N 3.15Å; E198-D202 WeakPolarHBondContact O-CB 3.41Å; E198-D202 PolarHBondContact O-N 3.14Å |
| 199 | T | 73.5 | Confident | 74.1 | Confident | 68 Ų | 68 | 97.7 Ų | 97.7 | 42% | 0.417 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -25.5 | 176.9 | -45.7 | 0 | 0 | 0 | 0 | 112 | N195 M197 R203 | N195-T199 WeakPolarHBondContact O-CB 3.46Å; N195-T199 PolarHBondContact O-N 3.33Å; N195-T199 PolarHBondContact O-OG1 3.11Å; M197-T199 PolarHBondContact O-N 2.92Å; T199-R203 VanDerWaalsContact O-CB 3.27Å; T199-R203 WeakPolarHBondContact O-CB 3.36Å; T199-R203 VanDerWaalsContact O-CG 3.28Å; T199-R203 WeakPolarHBondContact O-CG 3.39Å; T199-R203 PolarHBondContact O-N 3.4Å; T199-R203 PolarHBondContact O-NE 3.29Å |
| 200 | R | 77 | Confident | 74.1 | Confident | 173 Ų | 173 | 98.4 Ų | 98.4 | 65% | 0.653 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -75.2 | -48.1 | 173 | 176.5 | -179.3 | 173.3 | 156.9 | -1.1 | 110.4 | G196 M197 E198 R203 V204 | G196-R200 VanDerWaalsContact O-CB 3.28Å; G196-R200 WeakPolarHBondContact O-CB 3.42Å; G196-R200 PolarHBondContact O-N 3.37Å; M197-R200 CarbonylContact O-C 3.54Å; M197-R200 WeakPolarHBondContact O-CA 3.37Å; M197-R200 WeakPolarHBondContact O-CB 3.4Å; M197-R200 PolarHBondContact O-N 3.2Å; M197-R200 VanDerWaalsContact O-N 3.07Å; E198-R200 PolarHBondContact O-N 2.82Å; R200-R203 CarbonylContact O-C 3.6Å; R200-R203 PolarHBondContact O-N 2.94Å; R200-V204 HydrophobicContact CG-CG2 4.3Å; R200-V204 WeakPolarHBondContact O-CB 3.37Å; R200-V204 VanDerWaalsContact O-CG2 3.28Å; R200-V204 WeakPolarHBondContact O-CG2 3.23Å; R200-V204 PolarHBondContact O-N 3.5Å |
| 201 | D | 79.3 | Confident | 73.8 | Confident | 98 Ų | 98 | 100.7 Ų | 100.7 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | -179.3 | -75.9 | -19.2 | 0 | 0 | 0 | 111.6 | M197 E198 R203 V204 T205 | M197-D201 PolarHBondContact O-N 3.38Å; E198-D201 PolarHBondContact O-N 3.49Å; E198-D201 VanDerWaalsContact O-N 3.15Å; D201-R203 PolarHBondContact O-N 2.98Å; D201-V204 PolarHBondContact O-N 2.83Å; D201-T205 WeakPolarHBondContact O-CB 3.37Å; D201-T205 VanDerWaalsContact O-CG2 3.3Å; D201-T205 WeakPolarHBondContact O-CG2 3.44Å; D201-T205 PolarHBondContact O-N 3.26Å; D201-T205 PolarHBondContact O-OG1 2.94Å |
| 202 | D | 77 | Confident | 73.8 | Confident | 108 Ų | 108 | 102.8 Ų | 102.8 | 58% | 0.578 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.2 | -40.5 | 171.5 | -75.5 | -17.4 | 0 | 0 | 0 | 111.9 | E198 T205 S206 | E198-D202 WeakPolarHBondContact O-CB 3.41Å; E198-D202 PolarHBondContact O-N 3.14Å; D202-T205 WeakPolarHBondContact CA-OG1 3.41Å; D202-T205 PolarHBondContact O-OG1 2.93Å; D202-S206 WeakPolarHBondContact O-CB 3.4Å; D202-S206 PolarHBondContact O-N 3.39Å |
| 203 | R | 79.3 | Confident | 73.6 | Confident | 170 Ų | 170 | 102.8 Ų | 102.8 | 64% | 0.642 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66 | -41.3 | 173.2 | -86.2 | -175.8 | -79.6 | -175.9 | -8.5 | 112 | T199 R200 D201 W207 | T199-R203 VanDerWaalsContact O-CB 3.27Å; T199-R203 WeakPolarHBondContact O-CB 3.36Å; T199-R203 VanDerWaalsContact O-CG 3.28Å; T199-R203 WeakPolarHBondContact O-CG 3.39Å; T199-R203 PolarHBondContact O-N 3.4Å; T199-R203 PolarHBondContact O-NE 3.29Å; R200-R203 CarbonylContact O-C 3.6Å; R200-R203 PolarHBondContact O-N 2.94Å; D201-R203 PolarHBondContact O-N 2.98Å; R203-W207 VanDerWaalsContact O-CB 3.25Å; R203-W207 WeakPolarHBondContact O-CB 3.45Å; R203-W207 PolarHBondContact O-N 3.41Å |
| 204 | V | 81.2 | Confident | 73.2 | Confident | 51 Ų | 51 | 104.6 Ų | 104.6 | 31% | 0.309 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 179.3 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | R200 D201 W207 K208 | R200-V204 HydrophobicContact CG-CG2 4.3Å; R200-V204 WeakPolarHBondContact O-CB 3.37Å; R200-V204 VanDerWaalsContact O-CG2 3.28Å; R200-V204 WeakPolarHBondContact O-CG2 3.23Å; R200-V204 PolarHBondContact O-N 3.5Å; D201-V204 PolarHBondContact O-N 2.83Å; V204-W207 PolarHBondContact O-N 3.22Å; V204-K208 HydrophobicContact CG1-CD 4.25Å; V204-K208 HydrophobicContact CG1-CG 4.49Å; V204-K208 WeakPolarHBondContact O-CB 3.44Å; V204-K208 VanDerWaalsContact O-CG 3.32Å; V204-K208 WeakPolarHBondContact O-CG 3.43Å; V204-K208 PolarHBondContact O-N 3.23Å |
| 205 | T | 80.6 | Confident | 72.8 | Confident | 69 Ų | 69 | 109.4 Ų | 109.4 | 42% | 0.423 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 176.3 | 53.1 | 0 | 0 | 0 | 0 | 111.3 | D201 D202 W207 K208 N209 | D201-T205 WeakPolarHBondContact O-CB 3.37Å; D201-T205 VanDerWaalsContact O-CG2 3.3Å; D201-T205 WeakPolarHBondContact O-CG2 3.44Å; D201-T205 PolarHBondContact O-N 3.26Å; D201-T205 PolarHBondContact O-OG1 2.94Å; D202-T205 WeakPolarHBondContact CA-OG1 3.41Å; D202-T205 PolarHBondContact O-OG1 2.93Å; T205-W207 VanDerWaalsContact C-N 3.33Å; T205-W207 PolarHBondContact O-N 2.84Å; T205-K208 PolarHBondContact O-N 2.93Å; T205-N209 VanDerWaalsContact O-CB 3.3Å; T205-N209 WeakPolarHBondContact O-CB 3.44Å; T205-N209 PolarHBondContact O-N 3.44Å; T205-N209 PolarHBondContact O-ND2 2.83Å |
| 206 | S | 79.9 | Confident | 72.3 | Confident | 78 Ų | 78 | 108.8 Ų | 108.8 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 172.9 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | D202 N209 F210 | D202-S206 WeakPolarHBondContact O-CB 3.4Å; D202-S206 PolarHBondContact O-N 3.39Å; S206-N209 PolarHBondContact O-N 2.81Å; S206-F210 WeakPolarHBondContact O-CB 3.47Å; S206-F210 PolarHBondContact O-N 2.65Å |
| 207 | W | 81 | Confident | 71.4 | Confident | 157 Ų | 157 | 113.8 Ų | 113.8 | 60% | 0.595 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.7 | -42.7 | 175.7 | -178.4 | 78.1 | 0 | 0 | 0 | 112.9 | R203 V204 T205 F210 K211 | R203-W207 VanDerWaalsContact O-CB 3.25Å; R203-W207 WeakPolarHBondContact O-CB 3.45Å; R203-W207 PolarHBondContact O-N 3.41Å; V204-W207 PolarHBondContact O-N 3.22Å; T205-W207 VanDerWaalsContact C-N 3.33Å; T205-W207 PolarHBondContact O-N 2.84Å; W207-F210 PolarHBondContact O-N 3.31Å; W207-K211 HydrophobicContact CZ2-CG 4.23Å; W207-K211 PolarHBondContact O-N 3.37Å |
| 208 | K | 80.4 | Confident | 71.1 | Confident | 124 Ų | 124 | 111 Ų | 111 | 54% | 0.539 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.8 | -46.2 | 173.3 | -76.6 | 178.5 | -180 | -179.2 | 0 | 110.9 | V204 T205 F210 K211 T212 | V204-K208 HydrophobicContact CG1-CD 4.25Å; V204-K208 HydrophobicContact CG1-CG 4.49Å; V204-K208 WeakPolarHBondContact O-CB 3.44Å; V204-K208 VanDerWaalsContact O-CG 3.32Å; V204-K208 WeakPolarHBondContact O-CG 3.43Å; V204-K208 PolarHBondContact O-N 3.23Å; T205-K208 PolarHBondContact O-N 2.93Å; K208-F210 VanDerWaalsContact C-N 3.32Å; K208-F210 PolarHBondContact O-N 3.1Å; K208-K211 PolarHBondContact O-N 3.35Å; K208-T212 WeakPolarHBondContact O-CG2 3.33Å; K208-T212 PolarHBondContact O-N 3.39Å; K208-T212 PolarHBondContact O-OG1 3.44Å |
| 209 | N | 80.1 | Confident | 70.2 | Confident | 95 Ų | 95 | 116.1 Ų | 116.1 | 51% | 0.508 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.1 | -35.2 | 176.5 | -72.4 | -22 | 0 | 0 | 0 | 112.6 | T205 S206 T212 K213 | T205-N209 VanDerWaalsContact O-CB 3.3Å; T205-N209 WeakPolarHBondContact O-CB 3.44Å; T205-N209 PolarHBondContact O-N 3.44Å; T205-N209 PolarHBondContact O-ND2 2.83Å; S206-N209 PolarHBondContact O-N 2.81Å; N209-T212 WeakPolarHBondContact CA-OG1 3.45Å; N209-T212 PolarHBondContact O-OG1 3.2Å; N209-T212 VanDerWaalsContact O-OG1 3.12Å; N209-K213 VanDerWaalsContact O-CB 3.24Å; N209-K213 WeakPolarHBondContact O-CB 3.28Å; N209-K213 WeakPolarHBondContact O-CG 3.2Å; N209-K213 PolarHBondContact O-N 3.46Å |
| 210 | F | 79.1 | Confident | 68.8 | Low | 134 Ų | 134 | 119.5 Ų | 119.5 | 59% | 0.588 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.6 | -42.7 | 174.1 | 177.5 | -99.6 | 0 | 0 | 0 | 111.5 | S206 W207 K208 K214 | S206-F210 WeakPolarHBondContact O-CB 3.47Å; S206-F210 PolarHBondContact O-N 2.65Å; W207-F210 PolarHBondContact O-N 3.31Å; K208-F210 VanDerWaalsContact C-N 3.32Å; K208-F210 PolarHBondContact O-N 3.1Å; F210-K214 WeakPolarHBondContact O-CB 3.48Å; F210-K214 PolarHBondContact O-N 3.18Å |
| 211 | K | 74.8 | Confident | 67.2 | Low | 102 Ų | 102 | 114.7 Ų | 114.7 | 44% | 0.443 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.4 | -51.5 | 174.3 | -90.1 | -76.7 | -168.3 | 166.6 | 0 | 111.6 | W207 K208 K213 K214 D215 | W207-K211 HydrophobicContact CZ2-CG 4.23Å; W207-K211 PolarHBondContact O-N 3.37Å; K208-K211 PolarHBondContact O-N 3.35Å; K211-K213 VanDerWaalsContact C-N 3.33Å; K211-K213 PolarHBondContact O-N 2.93Å; K211-K214 WeakPolarHBondContact O-CB 3.34Å; K211-K214 PolarHBondContact O-N 3.01Å; K211-D215 PolarHBondContact O-N 3.44Å |
| 212 | T | 72.8 | Confident | 65.6 | Low | 82 Ų | 82 | 120.9 Ų | 120.9 | 50% | 0.503 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64 | -37.1 | 178.8 | 58.3 | 0 | 0 | 0 | 0 | 112.3 | K208 N209 D215 S216 | K208-T212 WeakPolarHBondContact O-CG2 3.33Å; K208-T212 PolarHBondContact O-N 3.39Å; K208-T212 PolarHBondContact O-OG1 3.44Å; N209-T212 WeakPolarHBondContact CA-OG1 3.45Å; N209-T212 PolarHBondContact O-OG1 3.2Å; N209-T212 VanDerWaalsContact O-OG1 3.12Å; T212-D215 PolarHBondContact O-N 3.04Å; T212-S216 VanDerWaalsContact O-CB 3.32Å; T212-S216 WeakPolarHBondContact O-CB 3.09Å; T212-S216 PolarHBondContact O-N 3.49Å; T212-S216 PolarHBondContact O-OG 2.91Å; T212-S216 VanDerWaalsContact O-OG 3.09Å |
| 213 | K | 63.7 | Low | 64.1 | Low | 139 Ų | 139 | 119.5 Ų | 119.5 | 60% | 0.604 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67 | -34.4 | 170.7 | -82.4 | -179.4 | 177.7 | 173.9 | 0 | 112.6 | N209 K211 D215 S216 K217 | N209-K213 VanDerWaalsContact O-CB 3.24Å; N209-K213 WeakPolarHBondContact O-CB 3.28Å; N209-K213 WeakPolarHBondContact O-CG 3.2Å; N209-K213 PolarHBondContact O-N 3.46Å; K211-K213 VanDerWaalsContact C-N 3.33Å; K211-K213 PolarHBondContact O-N 2.93Å; K213-D215 VanDerWaalsContact C-N 3.26Å; K213-D215 PolarHBondContact O-N 2.83Å; K213-S216 WeakPolarHBondContact CA-OG 3.33Å; K213-K217 WeakPolarHBondContact O-CA 3.36Å; K213-K217 WeakPolarHBondContact O-CB 3.48Å; K213-K217 PolarHBondContact O-N 2.85Å |
| 214 | K | 59.6 | Low | 62.4 | Low | 142 Ų | 142 | 114.8 Ų | 114.8 | 62% | 0.617 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.9 | -37.4 | 175.3 | -167.4 | 178.6 | 178.6 | -179.2 | 0 | 110.7 | F210 K211 | F210-K214 WeakPolarHBondContact O-CB 3.48Å; F210-K214 PolarHBondContact O-N 3.18Å; K211-K214 WeakPolarHBondContact O-CB 3.34Å; K211-K214 PolarHBondContact O-N 3.01Å |
| 215 | D | 58.2 | Low | 61.1 | Low | 125 Ų | 125 | 121.2 Ų | 121.2 | 67% | 0.668 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -78.2 | -34.7 | 179 | -59.9 | -28.4 | 0 | 0 | 0 | 112.1 | K211 T212 K213 | K211-D215 PolarHBondContact O-N 3.44Å; T212-D215 PolarHBondContact O-N 3.04Å; K213-D215 VanDerWaalsContact C-N 3.26Å; K213-D215 PolarHBondContact O-N 2.83Å |
| 216 | S | 54.1 | Low | 60.1 | Low | 78 Ų | 78 | 129.3 Ų | 129.3 | 55% | 0.545 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -86.6 | -28.4 | 179.4 | 73 | 0 | 0 | 0 | 0 | 114.4 | T212 K213 G218 R219 | T212-S216 VanDerWaalsContact O-CB 3.32Å; T212-S216 WeakPolarHBondContact O-CB 3.09Å; T212-S216 PolarHBondContact O-N 3.49Å; T212-S216 PolarHBondContact O-OG 2.91Å; T212-S216 VanDerWaalsContact O-OG 3.09Å; K213-S216 WeakPolarHBondContact CA-OG 3.33Å; S216-G218 PolarHBondContact O-N 3.48Å; S216-R219 PolarHBondContact O-N 3.43Å |
| 217 | K | 46 | Very low | 59.3 | Low | 144 Ų | 144 | 130.3 Ų | 130.3 | 63% | 0.626 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -84.8 | 8.3 | 178.8 | -144.7 | 178.3 | -164.2 | -174.5 | 0 | 113.1 | K213 R219 | K213-K217 WeakPolarHBondContact O-CA 3.36Å; K213-K217 WeakPolarHBondContact O-CB 3.48Å; K213-K217 PolarHBondContact O-N 2.85Å; K217-R219 PolarHBondContact O-N 3.47Å; K217-R219 VanDerWaalsContact O-N 3.11Å |
| 218 | G | 51.1 | Low | 58.2 | Low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -60.6 | -5.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S216 | S216-G218 PolarHBondContact O-N 3.48Š|
| 219 | R | 45.7 | Very low | 57.2 | Low | 233 Ų | 233 | 132.1 Ų | 132.1 | 88% | 0.879 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -125.7 | 16.2 | -176.9 | -86.7 | -173.5 | 157.1 | -176.3 | -5.4 | 117.7 | S216 K217 | S216-R219 PolarHBondContact O-N 3.43Å; K217-R219 PolarHBondContact O-N 3.47Å; K217-R219 VanDerWaalsContact O-N 3.11Å |
| 220 | L | 44.2 | Very low | 56.1 | Low | 138 Ų | 138 | 136.2 Ų | 136.2 | 72% | 0.723 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -124.3 | 102.9 | 170.9 | -86.8 | 122.6 | 0 | 0 | 0 | 113 | ||
| 221 | G | 44 | Very low | 54.7 | Low | 72 Ų | 72 | 139.2 Ų | 139.2 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | 75.1 | 102.5 | 129.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | G223 | G221-G223 PolarHBondContact O-N 3.47Š| |||
| 222 | K | 44.8 | Very low | 53.7 | Low | 229 Ų | 229 | 138.5 Ų | 138.5 | 100% | 0.996 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -56.1 | 90.1 | 169.2 | -162.4 | 166.8 | -178.6 | 178.1 | 0 | 110.8 | ||
| 223 | G | 45.4 | Very low | 52.9 | Low | 79 Ų | 79 | 143.2 Ų | 143.2 | 81% | 0.814 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 129.8 | 88.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115 | G221 | G221-G223 PolarHBondContact O-N 3.47Š|
| 224 | G | 42.8 | Very low | 52.3 | Low | 71 Ų | 71 | 141.8 Ų | 141.8 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 163.6 | 102.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 225 | F | 55.7 | Low | 51.7 | Low | 185 Ų | 185 | 146.6 Ų | 146.6 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | 78.6 | 96.6 | 164.7 | -147.6 | -100.5 | 0 | 0 | 0 | 117.9 | ||||
| 226 | R | 59.4 | Low | 51.6 | Low | 240 Ų | 240 | 149.4 Ų | 149.4 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -90 | 116.7 | 162.2 | -70.5 | -177.3 | 179.7 | -164 | -0.3 | 108.4 | ||
| 227 | P | 61.5 | Low | 51.4 | Low | 98 Ų | 98 | 153 Ų | 153 | 64% | 0.636 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 143.6 | 178.3 | -19.7 | 30.5 | 0 | 0 | 0 | 111.3 | K229 | P227-K229 PolarHBondContact O-N 3.36Š|
| 228 | P | 58.2 | Low | 51.7 | Low | 118 Ų | 118 | 153.5 Ų | 153.5 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 136.3 | 177.4 | -21.6 | 31.8 | 0 | 0 | 0 | 111.3 | H230 | P228-H230 PolarHBondContact O-N 3.28Š|
| 229 | K | 59.9 | Low | 51.8 | Low | 202 Ų | 202 | 158.2 Ų | 158.2 | 88% | 0.878 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 127.7 | 175.3 | -66.5 | -174.8 | 179.9 | 179.8 | 0 | 109.1 | P227 K231 | P227-K229 PolarHBondContact O-N 3.36Å; K229-K231 PolarHBondContact O-N 3.09Å |
| 230 | H | 56.8 | Low | 52.1 | Low | 181 Ų | 181 | 153.8 Ų | 153.8 | 84% | 0.838 | 84% | 0.837 | S | S | * | * | trans | -57.8 | 111.7 | 174.7 | -160.3 | -76.6 | 0 | 0 | 0 | 108.9 | P228 A232 | P228-H230 PolarHBondContact O-N 3.28Å; H230-A232 PolarHBondContact O-N 3.3Å | ||
| 231 | K | 49.5 | Very low | 52.6 | Low | 197 Ų | 197 | 154.8 Ų | 154.8 | 86% | 0.857 | 84% | 0.844 | S | S | * | * | trans | -78.6 | 115.4 | 164.9 | -71.5 | -164.5 | 177.6 | -174.1 | 0 | 106.3 | K229 E233 | K229-K231 PolarHBondContact O-N 3.09Å; K231-E233 PolarHBondContact O-N 2.77Å | ||
| 232 | A | 54.7 | Low | 53.2 | Low | 86 Ų | 86 | 160.3 Ų | 160.3 | 71% | 0.711 | 85% | 0.851 | S | S | * | * | trans | -63 | 119 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | H230 S234 | H230-A232 PolarHBondContact O-N 3.3Å; A232-S234 PolarHBondContact O-N 3.18Å; A232-S234 VanDerWaalsContact O-N 3.15Å | ||
| 233 | E | 55.5 | Low | 53.8 | Low | 181 Ų | 181 | 155.4 Ų | 155.4 | 85% | 0.846 | 84% | 0.84 | S | S | * | * | trans | -63.5 | 114.7 | 170.1 | -173.3 | 174.7 | -159.5 | 0 | 0 | 107.5 | K231 R235 | K231-E233 PolarHBondContact O-N 2.77Å; E233-R235 PolarHBondContact O-N 3.39Å; E233-R235 VanDerWaalsContact O-N 3.08Å | ||
| 234 | S | 51.9 | Low | 54.4 | Low | 109 Ų | 109 | 161.2 Ų | 161.2 | 76% | 0.762 | 84% | 0.842 | S | S | * | * | trans | -67.6 | 104.2 | 171.2 | 43.9 | 0 | 0 | 0 | 0 | 107.5 | A232 S236 | A232-S234 PolarHBondContact O-N 3.18Å; A232-S234 VanDerWaalsContact O-N 3.15Å; S234-S236 PolarHBondContact O-N 2.88Å | ||
| 235 | R | 46.3 | Very low | 55.4 | Low | 244 Ų | 244 | 168.8 Ų | 168.8 | 92% | 0.921 | 85% | 0.852 | S | S | * | * | trans | -58.2 | 108.6 | 164.2 | -72.1 | 179.6 | 157.7 | -167.4 | -8 | 107.5 | E233 | E233-R235 PolarHBondContact O-N 3.39Å; E233-R235 VanDerWaalsContact O-N 3.08Å | ||
| 236 | S | 55.3 | Low | 55.4 | Low | 184 Ų | 184 | 167.3 Ų | 167.3 | 100% | 1.287 | 86% | 0.855 | S | S | * | * | trans | -88.3 | 0 | 162.5 | -161.2 | 0 | 0 | 0 | 0 | 110.1 | S234 | S234-S236 PolarHBondContact O-N 2.88Š|
Retrieved 236 of 236 residues in 62.9 ms
(Link to these results)