| 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 | 37.9 | Very low | 55.3 | Low | 233 Ų | 233 | 152.5 Ų | 152.5 | 100% | 1.148 | 82% | 0.819 | S | S | * | * | 0 | 106.4 | 0 | -90.6 | 141.5 | 65.2 | 0 | 0 | 107.2 | |||||
| 2 | N | 51.3 | Low | 55.2 | Low | 161 Ų | 161 | 151.3 Ų | 151.3 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -101 | 99.9 | -169.7 | -56.3 | -16.6 | 0 | 0 | 0 | 108 | S4 | N2-S4 PolarHBondContact O-N 2.78Š| ||
| 3 | S | 54.6 | Low | 55.6 | Low | 114 Ų | 114 | 147.6 Ų | 147.6 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -87.3 | 87.8 | 177.1 | 55.8 | 0 | 0 | 0 | 0 | 110 | L5 | S3-L5 PolarHBondContact O-N 2.82Š| ||
| 4 | S | 65.6 | Low | 55.5 | Low | 119 Ų | 119 | 141.6 Ų | 141.6 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -71.8 | 114.5 | 164.2 | -80.8 | 0 | 0 | 0 | 0 | 109.1 | N2 | N2-S4 PolarHBondContact O-N 2.78Š| ||
| 5 | L | 67.1 | Low | 55.8 | Low | 158 Ų | 158 | 137.9 Ų | 137.9 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -72.9 | 139.4 | 168.2 | -68.5 | 169.1 | 0 | 0 | 0 | 109.2 | S3 F7 | S3-L5 PolarHBondContact O-N 2.82Å; L5-F7 PolarHBondContact O-N 3.45Å | ||
| 6 | P | 62.2 | Low | 55.5 | Low | 111 Ų | 111 | 141.1 Ų | 141.1 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | trans | -68.6 | 121.4 | 176.9 | 28.4 | -31.1 | 0 | 0 | 0 | 108.5 | C8 | P6-C8 PolarHBondContact O-N 3.24Š| ||
| 7 | F | 56.5 | Low | 55.8 | Low | 194 Ų | 194 | 145.9 Ų | 145.9 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -63.1 | 101.2 | 168.5 | -171.8 | -96.8 | 0 | 0 | 0 | 107.2 | L5 S9 | L5-F7 PolarHBondContact O-N 3.45Å; F7-S9 VanDerWaalsContact C-N 3.32Å; F7-S9 PolarHBondContact O-N 3.3Å | ||
| 8 | C | 55.6 | Low | 55.7 | Low | 113 Ų | 113 | 144.2 Ų | 144.2 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -59.9 | 96.8 | 173.5 | -71.7 | 0 | 0 | 0 | 0 | 108.4 | P6 W10 | P6-C8 PolarHBondContact O-N 3.24Å; C8-W10 PolarHBondContact O-N 3.35Å | ||
| 9 | S | 59.9 | Low | 56.1 | Low | 94 Ų | 94 | 149.5 Ų | 149.5 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | trans | -69.8 | 79.8 | 171.5 | 70 | 0 | 0 | 0 | 0 | 108.3 | F7 K11 | F7-S9 VanDerWaalsContact C-N 3.32Å; F7-S9 PolarHBondContact O-N 3.3Å; S9-K11 PolarHBondContact O-N 3.19Å | ||
| 10 | W | 45.2 | Very low | 56.5 | Low | 183 Ų | 183 | 145.1 Ų | 145.1 | 69% | 0.693 | 78% | 0.776 | S | S | * | * | trans | -70.5 | 82.5 | 173.3 | 179 | -78.8 | 0 | 0 | 0 | 107.5 | C8 K12 | C8-W10 PolarHBondContact O-N 3.35Å; W10-K12 HydrophobicContact CZ2-CD 3.77Å; W10-K12 HydrophobicContact CZ2-CG 3.64Å; W10-K12 PolarHBondContact O-N 3.29Å | ||
| 11 | K | 53 | Low | 57.3 | Low | 198 Ų | 198 | 141.1 Ų | 141.1 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | -73.4 | 83.1 | 163.3 | -73.5 | -160.6 | -177 | -160.4 | 0 | 107.4 | S9 A13 | S9-K11 PolarHBondContact O-N 3.19Å; K11-A13 PolarHBondContact O-N 3.41Å | ||
| 12 | K | 54.1 | Low | 58.4 | Low | 138 Ų | 138 | 136.9 Ų | 136.9 | 60% | 0.6 | 74% | 0.741 | S | S | * | * | trans | -66.4 | 102.8 | 162.6 | -127.4 | 172.8 | -75.9 | -94.5 | 0 | 105.7 | W10 A14 | W10-K12 HydrophobicContact CZ2-CD 3.77Å; W10-K12 HydrophobicContact CZ2-CG 3.64Å; W10-K12 PolarHBondContact O-N 3.29Å; K12-A14 HydrophobicContact CB-CB 4.13Å; K12-A14 HydrophobicContact CD-CB 4.35Å; K12-A14 HydrophobicContact CG-CB 4.19Å; K12-A14 PolarHBondContact O-N 3.33Å | ||
| 13 | A | 59.2 | Low | 58.9 | Low | 103 Ų | 103 | 138.7 Ų | 138.7 | 85% | 0.851 | 74% | 0.736 | S | S | * | * | trans | -64.9 | 70.8 | 146.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | K11 A15 | K11-A13 PolarHBondContact O-N 3.41Å; A13-A15 VanDerWaalsContact C-N 3.29Å; A13-A15 PolarHBondContact O-N 2.97Å | ||
| 14 | A | 54.6 | Low | 59.2 | Low | 63 Ų | 63 | 134.6 Ų | 134.6 | 52% | 0.521 | 71% | 0.709 | S | S | . | * | trans | -74.9 | 94 | 170.6 | 0 | 0 | 0 | 0 | 0 | 105.1 | K12 Q16 | K12-A14 HydrophobicContact CB-CB 4.13Å; K12-A14 HydrophobicContact CD-CB 4.35Å; K12-A14 HydrophobicContact CG-CB 4.19Å; K12-A14 PolarHBondContact O-N 3.33Å; A14-Q16 PolarHBondContact O-N 3.41Å | ||
| 15 | A | 59.8 | Low | 58.9 | Low | 86 Ų | 86 | 135.4 Ų | 135.4 | 71% | 0.711 | 70% | 0.698 | S | S | * | * | trans | -40.9 | 120.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 105.7 | A13 R17 | A13-A15 VanDerWaalsContact C-N 3.29Å; A13-A15 PolarHBondContact O-N 2.97Å; A15-R17 VanDerWaalsContact C-N 3.28Å; A15-R17 PolarHBondContact O-N 3.4Å | ||
| 16 | Q | 51.6 | Low | 58.7 | Low | 189 Ų | 189 | 134.4 Ų | 134.4 | 88% | 0.883 | 69% | 0.692 | S | S | * | * | trans | -52.9 | 96.5 | -175 | -80.3 | -134.5 | -33.8 | 0 | 0 | 108.4 | A14 P18 | A14-Q16 PolarHBondContact O-N 3.41Å; Q16-P18 VanDerWaalsContact O-CD 3.25Å; Q16-P18 WeakPolarHBondContact O-CD 3.38Å | ||
| 17 | R | 60.4 | Low | 58.9 | Low | 223 Ų | 223 | 131.9 Ų | 131.9 | 84% | 0.842 | 67% | 0.673 | S | S | * | * | trans | -67.5 | 119.2 | 163.7 | -90.8 | -173.3 | 170.3 | 105.7 | -3.2 | 103.7 | A15 R19 | A15-R17 VanDerWaalsContact C-N 3.28Å; A15-R17 PolarHBondContact O-N 3.4Å; R17-R19 PolarHBondContact O-N 3.5Å | ||
| 18 | P | 54.5 | Low | 59.1 | Low | 115 Ų | 115 | 126.9 Ų | 126.9 | 75% | 0.747 | 66% | 0.66 | S | S | * | * | trans | -55.1 | 111.8 | 168.5 | -16.4 | 29.3 | 0 | 0 | 0 | 104.9 | Q16 S20 | Q16-P18 VanDerWaalsContact O-CD 3.25Å; Q16-P18 WeakPolarHBondContact O-CD 3.38Å; P18-S20 PolarHBondContact O-N 2.91Å | ||
| 19 | R | 62.9 | Low | 59.2 | Low | 246 Ų | 246 | 128.2 Ų | 128.2 | 93% | 0.928 | 66% | 0.655 | S | S | * | * | trans | -70.4 | 80.4 | 172.7 | -71.9 | -178.5 | 79.5 | 136.1 | 0.1 | 105.3 | R17 S21 | R17-R19 PolarHBondContact O-N 3.5Å; R19-S21 PolarHBondContact O-N 3.34Å | ||
| 20 | S | 64.2 | Low | 59.1 | Low | 61 Ų | 61 | 131.7 Ų | 131.7 | 43% | 0.427 | 65% | 0.653 | S | S | . | * | trans | -55.8 | 123.3 | 170.2 | 54.4 | 0 | 0 | 0 | 0 | 106.3 | P18 | P18-S20 PolarHBondContact O-N 2.91Š| ||
| 21 | S | 72.5 | Confident | 59.5 | Low | 62 Ų | 62 | 125.8 Ų | 125.8 | 43% | 0.434 | 64% | 0.635 | S | S | . | * | trans | -53.9 | 152.2 | 179.4 | 70.8 | 0 | 0 | 0 | 0 | 109.8 | R19 R23 A24 | R19-S21 PolarHBondContact O-N 3.34Å; S21-R23 PolarHBondContact O-N 2.89Å; S21-A24 VanDerWaalsContact O-CB 3.28Å; S21-A24 WeakPolarHBondContact O-CB 3.48Å; S21-A24 PolarHBondContact O-N 3.33Å | ||
| 22 | L | 62.3 | Low | 59.6 | Low | 144 Ų | 144 | 121.9 Ų | 121.9 | 75% | 0.754 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -50.7 | -27.6 | 175.9 | -77.8 | 166.9 | 0 | 0 | 0 | 112.4 | A24 F25 L26 | L22-A24 VanDerWaalsContact C-N 3.27Å; L22-A24 PolarHBondContact O-N 2.96Å; L22-F25 WeakPolarHBondContact O-CB 3.33Å; L22-F25 PolarHBondContact O-N 3.07Å; L22-F25 VanDerWaalsContact O-N 3.08Å; L22-L26 PolarHBondContact O-N 2.96Å |
| 23 | R | 61.6 | Low | 59.7 | Low | 198 Ų | 198 | 121.3 Ų | 121.3 | 75% | 0.747 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.2 | -28.5 | 173.8 | -64 | -176.7 | -83.5 | -145.8 | -2.6 | 114.2 | S21 F25 L26 D27 | S21-R23 PolarHBondContact O-N 2.89Å; R23-F25 VanDerWaalsContact C-N 3.26Å; R23-F25 PolarHBondContact O-N 3.36Å; R23-L26 CarbonylContact O-C 3.57Å; R23-L26 PolarHBondContact O-N 3.18Å; R23-D27 PolarHBondContact O-N 3.26Å; R23-D27 VanDerWaalsContact O-N 3.07Å |
| 24 | A | 60.9 | Low | 59.7 | Low | 29 Ų | 29 | 122.9 Ų | 122.9 | 24% | 0.24 | 61% | 0.612 | C | S | . | * | H | α-helix | trans | -71.3 | -22.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | S21 L22 | S21-A24 VanDerWaalsContact O-CB 3.28Å; S21-A24 WeakPolarHBondContact O-CB 3.48Å; S21-A24 PolarHBondContact O-N 3.33Å; L22-A24 VanDerWaalsContact C-N 3.27Å; L22-A24 PolarHBondContact O-N 2.96Å |
| 25 | F | 57.8 | Low | 59.6 | Low | 135 Ų | 135 | 124.9 Ų | 124.9 | 59% | 0.592 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -84.6 | -22.6 | 172.2 | -62.9 | -86.5 | 0 | 0 | 0 | 112.2 | L22 R23 | L22-F25 WeakPolarHBondContact O-CB 3.33Å; L22-F25 PolarHBondContact O-N 3.07Å; L22-F25 VanDerWaalsContact O-N 3.08Å; R23-F25 VanDerWaalsContact C-N 3.26Å; R23-F25 PolarHBondContact O-N 3.36Å |
| 26 | L | 63.4 | Low | 59.5 | Low | 137 Ų | 137 | 123.5 Ų | 123.5 | 72% | 0.717 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -92.7 | -1.9 | 177.2 | -62.1 | 173 | 0 | 0 | 0 | 112.8 | L22 R23 P28 | L22-L26 PolarHBondContact O-N 2.96Å; R23-L26 CarbonylContact O-C 3.57Å; R23-L26 PolarHBondContact O-N 3.18Å; L26-P28 WeakPolarHBondContact O-CD 3.44Å |
| 27 | D | 66.7 | Low | 59.8 | Low | 59 Ų | 59 | 118.9 Ų | 118.9 | 32% | 0.316 | 58% | 0.577 | S | S | . | * | trans | -71.2 | 107.3 | 176.1 | -178.8 | 8.2 | 0 | 0 | 0 | 109 | R23 H29 R30 N31 | R23-D27 PolarHBondContact O-N 3.26Å; R23-D27 VanDerWaalsContact O-N 3.07Å; D27-H29 PolarHBondContact O-N 3.36Å; D27-H29 VanDerWaalsContact O-N 3.15Å; D27-H29 PolarHBondContact OD1-N 3.38Å; D27-R30 HydrophobicContact CB-CB 4.29Å; D27-R30 PolarHBondContact O-N 3.16Å; D27-R30 VanDerWaalsContact O-N 3.17Å; D27-R30 WeakPolarHBondContact OD2-CD 3.23Å; D27-R30 WeakPolarHBondContact OD2-CG 3.41Å; D27-R30 IonicContact OD2-NE 3.95Å; D27-N31 WeakPolarHBondContact O-CB 3.21Å; D27-N31 PolarHBondContact O-N 3.49Å | ||
| 28 | P | 60.2 | Low | 59.7 | Low | 89 Ų | 89 | 112.8 Ų | 112.8 | 58% | 0.578 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.4 | -30.1 | -175.2 | -19.7 | 33.1 | 0 | 0 | 0 | 111.3 | L26 L32 | L26-P28 WeakPolarHBondContact O-CD 3.44Å; P28-L32 WeakPolarHBondContact O-CB 3.14Å; P28-L32 WeakPolarHBondContact O-CD1 3.44Å; P28-L32 WeakPolarHBondContact O-CG 3.21Å; P28-L32 PolarHBondContact O-N 2.85Å |
| 29 | H | 58.6 | Low | 60 | Low | 141 Ų | 141 | 110.3 Ų | 110.3 | 65% | 0.653 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -73 | -31.7 | -176.9 | -162.8 | -63.2 | 0 | 0 | 0 | 112.7 | D27 E33 | D27-H29 PolarHBondContact O-N 3.36Å; D27-H29 VanDerWaalsContact O-N 3.15Å; D27-H29 PolarHBondContact OD1-N 3.38Å; H29-E33 WeakPolarHBondContact O-CG 3.36Å |
| 30 | R | 57.1 | Low | 60 | Low | 167 Ų | 167 | 103.1 Ų | 103.1 | 63% | 0.63 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -84.9 | -35.2 | 176.1 | -77.3 | -178.2 | 171.5 | -138.6 | -3.4 | 112.6 | D27 Q34 | D27-R30 HydrophobicContact CB-CB 4.29Å; D27-R30 PolarHBondContact O-N 3.16Å; D27-R30 VanDerWaalsContact O-N 3.17Å; D27-R30 WeakPolarHBondContact OD2-CD 3.23Å; D27-R30 WeakPolarHBondContact OD2-CG 3.41Å; D27-R30 IonicContact OD2-NE 3.95Å; R30-Q34 PolarHBondContact O-N 2.88Å |
| 31 | N | 54.4 | Low | 60.1 | Low | 58 Ų | 58 | 109 Ų | 109 | 31% | 0.31 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.6 | -43.5 | 179.3 | 177.8 | -86.6 | 0 | 0 | 0 | 111 | D27 E33 Q34 E35 | D27-N31 WeakPolarHBondContact O-CB 3.21Å; D27-N31 PolarHBondContact O-N 3.49Å; N31-E33 PolarHBondContact O-N 2.66Å; N31-Q34 PolarHBondContact O-N 3.24Å; N31-E35 PolarHBondContact ND2-OE1 3.42Å; N31-E35 VanDerWaalsContact O-CB 3.24Å; N31-E35 WeakPolarHBondContact O-CB 3.25Å; N31-E35 VanDerWaalsContact O-CG 3.32Å; N31-E35 WeakPolarHBondContact O-CG 3.43Å; N31-E35 PolarHBondContact O-N 2.87Å; N31-E35 PolarHBondContact OD1-OE1 2.89Å; N31-E35 VanDerWaalsContact OD1-OE1 3.13Å; N31-E35 PolarHBondContact OD1-OE2 2.84Å |
| 32 | L | 55.1 | Low | 59.8 | Low | 116 Ų | 116 | 110 Ų | 110 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.6 | -39.1 | 178.7 | -71.7 | 170.2 | 0 | 0 | 0 | 113.7 | P28 Q34 S36 | P28-L32 WeakPolarHBondContact O-CB 3.14Å; P28-L32 WeakPolarHBondContact O-CD1 3.44Å; P28-L32 WeakPolarHBondContact O-CG 3.21Å; P28-L32 PolarHBondContact O-N 2.85Å; L32-Q34 VanDerWaalsContact C-N 3.35Å; L32-Q34 PolarHBondContact O-N 2.89Å; L32-S36 VanDerWaalsContact O-CB 3.24Å; L32-S36 WeakPolarHBondContact O-CB 3.19Å; L32-S36 PolarHBondContact O-N 2.81Å; L32-S36 PolarHBondContact O-OG 3.37Å |
| 33 | E | 56.9 | Low | 60 | Low | 127 Ų | 127 | 107.9 Ų | 107.9 | 59% | 0.593 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.1 | -43.9 | 175.3 | -75 | -100.4 | 130.9 | 0 | 0 | 111.1 | H29 N31 S36 | H29-E33 WeakPolarHBondContact O-CG 3.36Å; N31-E33 PolarHBondContact O-N 2.66Å; E33-S36 PolarHBondContact O-OG 2.93Å |
| 34 | Q | 57.2 | Low | 60.3 | Low | 135 Ų | 135 | 103.4 Ų | 103.4 | 63% | 0.631 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -75.1 | -38.5 | -178.5 | -164.8 | 173.7 | -52.9 | 0 | 0 | 112.5 | R30 N31 L32 S36 L37 L38 | R30-Q34 PolarHBondContact O-N 2.88Å; N31-Q34 PolarHBondContact O-N 3.24Å; L32-Q34 VanDerWaalsContact C-N 3.35Å; L32-Q34 PolarHBondContact O-N 2.89Å; Q34-S36 VanDerWaalsContact C-N 3.32Å; Q34-L37 PolarHBondContact O-N 3.42Å; Q34-L38 HydrophobicContact CG-CD1 4.35Å; Q34-L38 WeakPolarHBondContact O-CD1 3.05Å; Q34-L38 WeakPolarHBondContact O-CG 3.2Å; Q34-L38 PolarHBondContact O-N 3.14Å |
| 35 | E | 54.5 | Low | 60.6 | Low | 105 Ų | 105 | 104.8 Ų | 104.8 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -77.8 | -11.2 | 175.5 | -69.6 | -171.3 | -178.2 | 0 | 0 | 113.4 | N31 P39 | N31-E35 PolarHBondContact ND2-OE1 3.42Å; N31-E35 VanDerWaalsContact O-CB 3.24Å; N31-E35 WeakPolarHBondContact O-CB 3.25Å; N31-E35 VanDerWaalsContact O-CG 3.32Å; N31-E35 WeakPolarHBondContact O-CG 3.43Å; N31-E35 PolarHBondContact O-N 2.87Å; N31-E35 PolarHBondContact OD1-OE1 2.89Å; N31-E35 VanDerWaalsContact OD1-OE1 3.13Å; N31-E35 PolarHBondContact OD1-OE2 2.84Å; E35-P39 WeakPolarHBondContact O-CD 3.49Å; E35-P39 WeakPolarHBondContact O-CG 3.09Å |
| 36 | S | 56.8 | Low | 61 | Low | 57 Ų | 57 | 101 Ų | 101 | 40% | 0.399 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -81.9 | -29.6 | 168.9 | 77.7 | 0 | 0 | 0 | 0 | 112 | L32 E33 Q34 N40 | L32-S36 VanDerWaalsContact O-CB 3.24Å; L32-S36 WeakPolarHBondContact O-CB 3.19Å; L32-S36 PolarHBondContact O-N 2.81Å; L32-S36 PolarHBondContact O-OG 3.37Å; E33-S36 PolarHBondContact O-OG 2.93Å; Q34-S36 VanDerWaalsContact C-N 3.32Å; S36-N40 WeakPolarHBondContact O-CB 3.42Å; S36-N40 PolarHBondContact O-ND2 3.44Å |
| 37 | L | 57.3 | Low | 61.2 | Low | 92 Ų | 92 | 99.6 Ų | 99.6 | 48% | 0.482 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -82.5 | -34.6 | -178.4 | -74 | 166.8 | 0 | 0 | 0 | 112.3 | Q34 R41 | Q34-L37 PolarHBondContact O-N 3.42Å; L37-R41 WeakPolarHBondContact O-CB 3.18Å; L37-R41 WeakPolarHBondContact O-CG 3.17Å; L37-R41 PolarHBondContact O-N 3.35Å |
| 38 | L | 58.1 | Low | 61.2 | Low | 95 Ų | 95 | 105 Ų | 105 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.6 | -54 | 179.5 | -78.3 | 162.2 | 0 | 0 | 0 | 114 | Q34 N40 R41 V42 | Q34-L38 HydrophobicContact CG-CD1 4.35Å; Q34-L38 WeakPolarHBondContact O-CD1 3.05Å; Q34-L38 WeakPolarHBondContact O-CG 3.2Å; Q34-L38 PolarHBondContact O-N 3.14Å; L38-N40 VanDerWaalsContact C-N 3.34Å; L38-N40 PolarHBondContact O-N 3.28Å; L38-R41 PolarHBondContact O-N 2.87Å; L38-V42 WeakPolarHBondContact O-CB 3.44Å; L38-V42 VanDerWaalsContact O-CG2 3.25Å; L38-V42 WeakPolarHBondContact O-CG2 3.32Å; L38-V42 PolarHBondContact O-N 3.47Å |
| 39 | P | 61.9 | Low | 61.7 | Low | 64 Ų | 64 | 109 Ų | 109 | 42% | 0.416 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 179.5 | 26.2 | -31.9 | 0 | 0 | 0 | 110.4 | E35 V42 L43 | E35-P39 WeakPolarHBondContact O-CD 3.49Å; E35-P39 WeakPolarHBondContact O-CG 3.09Å; P39-V42 PolarHBondContact O-N 2.92Å; P39-L43 WeakPolarHBondContact O-CB 3.24Å; P39-L43 WeakPolarHBondContact O-CD1 3.43Å; P39-L43 WeakPolarHBondContact O-CG 3.21Å; P39-L43 PolarHBondContact O-N 3.2Å |
| 40 | N | 63.5 | Low | 62 | Low | 95 Ų | 95 | 104.3 Ų | 104.3 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 175.5 | -82.8 | -46.3 | 0 | 0 | 0 | 112.4 | S36 L38 Q44 | S36-N40 WeakPolarHBondContact O-CB 3.42Å; S36-N40 PolarHBondContact O-ND2 3.44Å; L38-N40 VanDerWaalsContact C-N 3.34Å; L38-N40 PolarHBondContact O-N 3.28Å; N40-Q44 WeakPolarHBondContact O-CB 2.7Å; N40-Q44 WeakPolarHBondContact O-CG 2.97Å; N40-Q44 PolarHBondContact O-N 2.94Å |
| 41 | R | 64.4 | Low | 62.3 | Low | 183 Ų | 183 | 98.8 Ų | 98.8 | 69% | 0.691 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.4 | -40.4 | 177 | -78.8 | 177.6 | 176.2 | -155.1 | 0.3 | 112.3 | L37 L38 S45 | L37-R41 WeakPolarHBondContact O-CB 3.18Å; L37-R41 WeakPolarHBondContact O-CG 3.17Å; L37-R41 PolarHBondContact O-N 3.35Å; L38-R41 PolarHBondContact O-N 2.87Å; R41-S45 WeakPolarHBondContact O-CB 3.4Å; R41-S45 PolarHBondContact O-N 2.77Å; R41-S45 PolarHBondContact O-OG 2.81Å |
| 42 | V | 66.6 | Low | 62.7 | Low | 85 Ų | 85 | 98.8 Ų | 98.8 | 52% | 0.515 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.9 | -48 | 176.4 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | L38 P39 Q44 S45 V46 | L38-V42 WeakPolarHBondContact O-CB 3.44Å; L38-V42 VanDerWaalsContact O-CG2 3.25Å; L38-V42 WeakPolarHBondContact O-CG2 3.32Å; L38-V42 PolarHBondContact O-N 3.47Å; P39-V42 PolarHBondContact O-N 2.92Å; V42-Q44 PolarHBondContact O-N 3.37Å; V42-S45 WeakPolarHBondContact CA-OG 3.39Å; V42-S45 PolarHBondContact O-N 2.8Å; V42-S45 VanDerWaalsContact O-N 3.14Å; V42-S45 PolarHBondContact O-OG 3.42Å; V42-V46 HydrophobicContact CG1-CG2 4.46Å; V42-V46 WeakPolarHBondContact O-CG2 3.15Å; V42-V46 PolarHBondContact O-N 3.21Å |
| 43 | L | 67.8 | Low | 63 | Low | 99 Ų | 99 | 102.6 Ų | 102.6 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.8 | -45.7 | 175.4 | -71.7 | 169.6 | 0 | 0 | 0 | 111.6 | P39 S45 V46 L47 | P39-L43 WeakPolarHBondContact O-CB 3.24Å; P39-L43 WeakPolarHBondContact O-CD1 3.43Å; P39-L43 WeakPolarHBondContact O-CG 3.21Å; P39-L43 PolarHBondContact O-N 3.2Å; L43-S45 VanDerWaalsContact C-N 3.32Å; L43-S45 PolarHBondContact O-N 2.85Å; L43-V46 PolarHBondContact O-N 2.88Å; L43-L47 WeakPolarHBondContact O-CB 3.24Å; L43-L47 VanDerWaalsContact O-CG 3.23Å; L43-L47 WeakPolarHBondContact O-CG 3.47Å; L43-L47 PolarHBondContact O-N 2.78Å |
| 44 | Q | 67.7 | Low | 63.3 | Low | 103 Ų | 103 | 99.1 Ų | 99.1 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.6 | -38.5 | 176.2 | -71.7 | -71.9 | -24.6 | 0 | 0 | 111.8 | N40 V42 K48 | N40-Q44 WeakPolarHBondContact O-CB 2.7Å; N40-Q44 WeakPolarHBondContact O-CG 2.97Å; N40-Q44 PolarHBondContact O-N 2.94Å; V42-Q44 PolarHBondContact O-N 3.37Å; Q44-K48 WeakPolarHBondContact O-CB 3.32Å; Q44-K48 WeakPolarHBondContact O-CG 3.45Å; Q44-K48 PolarHBondContact O-N 3.5Å |
| 45 | S | 67.9 | Low | 63.4 | Low | 58 Ų | 58 | 99.1 Ų | 99.1 | 41% | 0.406 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 174.1 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | R41 V42 L43 K48 Q49 | R41-S45 WeakPolarHBondContact O-CB 3.4Å; R41-S45 PolarHBondContact O-N 2.77Å; R41-S45 PolarHBondContact O-OG 2.81Å; V42-S45 WeakPolarHBondContact CA-OG 3.39Å; V42-S45 PolarHBondContact O-N 2.8Å; V42-S45 VanDerWaalsContact O-N 3.14Å; V42-S45 PolarHBondContact O-OG 3.42Å; L43-S45 VanDerWaalsContact C-N 3.32Å; L43-S45 PolarHBondContact O-N 2.85Å; S45-K48 PolarHBondContact O-N 3.23Å; S45-Q49 WeakPolarHBondContact O-CB 3.28Å; S45-Q49 PolarHBondContact O-N 3.13Å |
| 46 | V | 66 | Low | 63.6 | Low | 55 Ų | 55 | 99 Ų | 99 | 33% | 0.333 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 178.4 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | V42 L43 P52 | V42-V46 HydrophobicContact CG1-CG2 4.46Å; V42-V46 WeakPolarHBondContact O-CG2 3.15Å; V42-V46 PolarHBondContact O-N 3.21Å; L43-V46 PolarHBondContact O-N 2.88Å; V46-P52 HydrophobicContact CG1-CG 4.38Å |
| 47 | L | 67.3 | Low | 63.6 | Low | 108 Ų | 108 | 102.6 Ų | 102.6 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.5 | -40.3 | 176.7 | -67.4 | 172.5 | 0 | 0 | 0 | 112.1 | L43 G50 | L43-L47 WeakPolarHBondContact O-CB 3.24Å; L43-L47 VanDerWaalsContact O-CG 3.23Å; L43-L47 WeakPolarHBondContact O-CG 3.47Å; L43-L47 PolarHBondContact O-N 2.78Å; L47-G50 PolarHBondContact O-N 3.32Å |
| 48 | K | 67.3 | Low | 63.8 | Low | 174 Ų | 174 | 104 Ų | 104 | 76% | 0.757 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -74 | -27.4 | 178.3 | -75.1 | -173.6 | 175.6 | -168.2 | 0 | 113.7 | Q44 S45 G50 | Q44-K48 WeakPolarHBondContact O-CB 3.32Å; Q44-K48 WeakPolarHBondContact O-CG 3.45Å; Q44-K48 PolarHBondContact O-N 3.5Å; S45-K48 PolarHBondContact O-N 3.23Å; K48-G50 PolarHBondContact O-N 3.26Å; K48-G50 VanDerWaalsContact O-N 3.16Å |
| 49 | Q | 69.6 | Low | 63.7 | Low | 171 Ų | 171 | 104.6 Ų | 104.6 | 80% | 0.799 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 3.2 | 177.5 | -166 | 167.3 | -11.2 | 0 | 0 | 112.7 | S45 | S45-Q49 WeakPolarHBondContact O-CB 3.28Å; S45-Q49 PolarHBondContact O-N 3.13Å |
| 50 | G | 65.3 | Low | 63.5 | Low | 43 Ų | 43 | 104 Ų | 104 | 44% | 0.443 | 55% | 0.547 | S | S | . | . | trans | 92.1 | 131.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L47 K48 P52 | L47-G50 PolarHBondContact O-N 3.32Å; K48-G50 PolarHBondContact O-N 3.26Å; K48-G50 VanDerWaalsContact O-N 3.16Å; G50-P52 WeakPolarHBondContact O-CD 3.13Å | ||
| 51 | C | 62.4 | Low | 63.2 | Low | 52 Ų | 52 | 103.5 Ų | 103.5 | 35% | 0.351 | 55% | 0.55 | S | S | . | * | trans | -47.7 | 113.8 | 178.3 | -91.9 | 0 | 0 | 0 | 0 | 109.6 | K53 H56 | C51-K53 PolarHBondContact O-N 3.45Å; C51-H56 WeakPolarHBondContact CB-NE2 3.25Å; C51-H56 PolarHBondContact O-NE2 3.48Å | ||
| 52 | P | 63.6 | Low | 62.8 | Low | 57 Ų | 57 | 98.7 Ų | 98.7 | 37% | 0.37 | 55% | 0.55 | S | S | . | * | trans | -60.8 | 137.8 | 173.4 | -11.2 | 22.6 | 0 | 0 | 0 | 106.9 | V46 G50 G54 Y55 | V46-P52 HydrophobicContact CG1-CG 4.38Å; G50-P52 WeakPolarHBondContact O-CD 3.13Å; P52-G54 PolarHBondContact O-N 2.91Å; P52-Y55 HydrophobicContact CB-CD2 3.65Å; P52-Y55 HydrophobicContact CB-CE2 3.99Å; P52-Y55 HydrophobicContact CG-CD2 3.47Å; P52-Y55 VanDerWaalsContact CG-CD2 3.47Å; P52-Y55 HydrophobicContact CG-CE2 3.69Å; P52-Y55 PolarHBondContact O-N 2.8Å | ||
| 53 | K | 61.5 | Low | 62.1 | Low | 196 Ų | 196 | 99.6 Ų | 99.6 | 85% | 0.852 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | -21 | -167.9 | -142.7 | 153 | -176.3 | 171 | 0 | 114.5 | C51 | C51-K53 PolarHBondContact O-N 3.45Š|
| 54 | G | 62.4 | Low | 61.5 | Low | 55 Ų | 55 | 101.5 Ų | 101.5 | 57% | 0.567 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -19.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | P52 | P52-G54 PolarHBondContact O-N 2.91Š|
| 55 | Y | 58.8 | Low | 61.2 | Low | 135 Ų | 135 | 104.3 Ų | 104.3 | 53% | 0.529 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | -9.1 | 177 | -66.9 | -91.5 | 0 | 0 | 0 | 113.2 | P52 L57 L58 L59 | P52-Y55 HydrophobicContact CB-CD2 3.65Å; P52-Y55 HydrophobicContact CB-CE2 3.99Å; P52-Y55 HydrophobicContact CG-CD2 3.47Å; P52-Y55 VanDerWaalsContact CG-CD2 3.47Å; P52-Y55 HydrophobicContact CG-CE2 3.69Å; P52-Y55 PolarHBondContact O-N 2.8Å; Y55-L57 PolarHBondContact O-N 2.96Å; Y55-L58 HydrophobicContact CD1-CD1 4.18Å; Y55-L58 PolarHBondContact O-N 2.94Å; Y55-L59 PolarHBondContact O-N 3.05Å |
| 56 | H | 59.2 | Low | 60.5 | Low | 102 Ų | 102 | 106.3 Ų | 106.3 | 47% | 0.472 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.8 | -32.7 | 173 | -77.5 | -116.4 | 0 | 0 | 0 | 112 | C51 L58 L59 A60 | C51-H56 WeakPolarHBondContact CB-NE2 3.25Å; C51-H56 PolarHBondContact O-NE2 3.48Å; H56-L58 VanDerWaalsContact C-N 3.32Å; H56-L58 PolarHBondContact O-N 3.33Å; H56-L59 PolarHBondContact O-N 3.04Å; H56-A60 WeakPolarHBondContact O-CB 3.33Å; H56-A60 PolarHBondContact O-N 3.17Å |
| 57 | L | 58.3 | Low | 60 | Low | 132 Ų | 132 | 109.9 Ų | 109.9 | 69% | 0.691 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.2 | -36.8 | 178.6 | -68.9 | 169.8 | 0 | 0 | 0 | 111.9 | Y55 S61 | Y55-L57 PolarHBondContact O-N 2.96Å; L57-S61 PolarHBondContact O-N 2.68Å; L57-S61 PolarHBondContact O-OG 3.04Å |
| 58 | L | 60.2 | Low | 59.4 | Low | 121 Ų | 121 | 114.2 Ų | 114.2 | 63% | 0.634 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.6 | -37.6 | 178.5 | -64.9 | 173.5 | 0 | 0 | 0 | 112.2 | Y55 H56 A62 | Y55-L58 HydrophobicContact CD1-CD1 4.18Å; Y55-L58 PolarHBondContact O-N 2.94Å; H56-L58 VanDerWaalsContact C-N 3.32Å; H56-L58 PolarHBondContact O-N 3.33Å; L58-A62 PolarHBondContact O-N 3.08Å |
| 59 | L | 57.1 | Low | 58.4 | Low | 108 Ų | 108 | 119.9 Ų | 119.9 | 57% | 0.565 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.5 | -40.4 | 177.3 | -171.7 | 62.5 | 0 | 0 | 0 | 111.8 | Y55 H56 S61 A62 T63 | Y55-L59 PolarHBondContact O-N 3.05Å; H56-L59 PolarHBondContact O-N 3.04Å; L59-S61 VanDerWaalsContact C-N 3.3Å; L59-S61 PolarHBondContact O-N 3.45Å; L59-A62 PolarHBondContact O-N 3.25Å; L59-T63 PolarHBondContact O-N 3.32Å; L59-T63 PolarHBondContact O-OG1 2.74Å |
| 60 | A | 57.5 | Low | 57.8 | Low | 52 Ų | 52 | 117.3 Ų | 117.3 | 43% | 0.43 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62.8 | -36.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | H56 A62 T63 L64 | H56-A60 WeakPolarHBondContact O-CB 3.33Å; H56-A60 PolarHBondContact O-N 3.17Å; A60-A62 VanDerWaalsContact C-N 3.34Å; A60-A62 PolarHBondContact O-N 2.87Å; A60-T63 WeakPolarHBondContact CA-OG1 3.44Å; A60-T63 PolarHBondContact O-N 2.79Å; A60-T63 PolarHBondContact O-OG1 3.07Å; A60-L64 PolarHBondContact O-N 3.23Å |
| 61 | S | 57.4 | Low | 57.4 | Low | 84 Ų | 84 | 121.2 Ų | 121.2 | 59% | 0.587 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.7 | -28.5 | 175.5 | -67.3 | 0 | 0 | 0 | 0 | 113.6 | L57 L59 | L57-S61 PolarHBondContact O-N 2.68Å; L57-S61 PolarHBondContact O-OG 3.04Å; L59-S61 VanDerWaalsContact C-N 3.3Å; L59-S61 PolarHBondContact O-N 3.45Å |
| 62 | A | 54.3 | Low | 57.1 | Low | 83 Ų | 83 | 125.1 Ų | 125.1 | 69% | 0.686 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -78.1 | -22.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L58 L59 A60 | L58-A62 PolarHBondContact O-N 3.08Å; L59-A62 PolarHBondContact O-N 3.25Å; A60-A62 VanDerWaalsContact C-N 3.34Å; A60-A62 PolarHBondContact O-N 2.87Å |
| 63 | T | 53.7 | Low | 56.8 | Low | 103 Ų | 103 | 129.1 Ų | 129.1 | 63% | 0.632 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -89.9 | -7.9 | 176.3 | 50.6 | 0 | 0 | 0 | 0 | 114.3 | L59 A60 Q65 | L59-T63 PolarHBondContact O-N 3.32Å; L59-T63 PolarHBondContact O-OG1 2.74Å; A60-T63 WeakPolarHBondContact CA-OG1 3.44Å; A60-T63 PolarHBondContact O-N 2.79Å; A60-T63 PolarHBondContact O-OG1 3.07Å; T63-Q65 VanDerWaalsContact C-N 3.29Å; T63-Q65 PolarHBondContact O-N 3.17Å |
| 64 | L | 53.5 | Low | 56.5 | Low | 139 Ų | 139 | 124.9 Ų | 124.9 | 73% | 0.728 | 66% | 0.662 | S | S | * | * | trans | -73.8 | 89.5 | 168.8 | -89.5 | 160.9 | 0 | 0 | 0 | 108.4 | A60 | A60-L64 PolarHBondContact O-N 3.23Š| ||
| 65 | Q | 62.5 | Low | 56.1 | Low | 162 Ų | 162 | 129.5 Ų | 129.5 | 76% | 0.757 | 67% | 0.669 | S | S | * | * | trans | -45 | 134.5 | 165.2 | -75.1 | -75.9 | -4.8 | 0 | 0 | 109.3 | T63 D67 | T63-Q65 VanDerWaalsContact C-N 3.29Å; T63-Q65 PolarHBondContact O-N 3.17Å; Q65-D67 PolarHBondContact O-N 3.05Å | ||
| 66 | P | 53.5 | Low | 55.9 | Low | 101 Ų | 101 | 129.1 Ų | 129.1 | 66% | 0.656 | 68% | 0.679 | S | S | * | * | trans | -60.5 | 111.8 | 166.4 | 25.4 | -29.9 | 0 | 0 | 0 | 106.9 | K68 | P66-K68 PolarHBondContact O-N 3.15Š| ||
| 67 | D | 55.3 | Low | 55.6 | Low | 130 Ų | 130 | 131.2 Ų | 131.2 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | trans | -57.2 | 103.9 | 169.8 | -172.6 | 36.1 | 0 | 0 | 0 | 106.7 | Q65 R69 | Q65-D67 PolarHBondContact O-N 3.05Å; D67-R69 VanDerWaalsContact C-N 3.3Å; D67-R69 PolarHBondContact O-N 3.04Å; D67-R69 VanDerWaalsContact O-N 3.07Å | ||
| 68 | K | 53.3 | Low | 55.4 | Low | 199 Ų | 199 | 131.2 Ų | 131.2 | 87% | 0.865 | 70% | 0.695 | S | S | * | * | trans | -75.7 | 90.9 | 170.4 | -75.1 | -175.2 | 177 | 179.5 | 0 | 106.5 | P66 | P66-K68 PolarHBondContact O-N 3.15Š| ||
| 69 | R | 46.7 | Very low | 55 | Low | 292 Ų | 292 | 132.1 Ų | 132.1 | 100% | 1.102 | 70% | 0.7 | S | S | * | * | trans | -105.5 | 0 | 155.2 | -86 | -171.2 | -176.8 | -174.2 | 1.8 | 110.2 | D67 | D67-R69 VanDerWaalsContact C-N 3.3Å; D67-R69 PolarHBondContact O-N 3.04Å; D67-R69 VanDerWaalsContact O-N 3.07Å |
Retrieved 69 of 69 residues in 151.3 ms
(Link to these results)