| 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 | 74 | Confident | 86.5 | Confident | 211 Ų | 211 | 107.4 Ų | 107.4 | 100% | 1.039 | 55% | 0.552 | S | S | * | * | 0 | 107.3 | 0 | -179.6 | -176 | -80.8 | 0 | 0 | 106.8 | L3 | M1-L3 HydrophobicContact CG-CG 4.09Å; M1-L3 PolarHBondContact O-N 3.5Å; M1-L3 HydrophobicContact SD-CD1 4.48Å; M1-L3 HydrophobicContact SD-CD2 3.72Å; M1-L3 HydrophobicContact SD-CG 4.26Å; M1-L3 HydrophobicContact CG-CD2 3.75Å | |||
| 2 | D | 78.4 | Confident | 86.8 | Confident | 121 Ų | 121 | 110.5 Ų | 110.5 | 65% | 0.647 | 56% | 0.559 | S | S | * | * | trans | -84 | 105.3 | 178.6 | -177.5 | 1.3 | 0 | 0 | 0 | 109.6 | S4 | D2-S4 PolarHBondContact OD2-OG 3.41Å; D2-S4 PolarHBondContact OD1-OG 3.32Å; D2-S4 PolarHBondContact OD1-N 3.19Å; D2-S4 WeakPolarHBondContact OD1-CB 3.28Å; D2-S4 VanDerWaalsContact CG-OG 3.22Å; D2-S4 VanDerWaalsContact C-N 3.33Å | ||
| 3 | L | 85.4 | Confident | 87 | Confident | 79 Ų | 79 | 109.6 Ų | 109.6 | 41% | 0.414 | 55% | 0.553 | S | S | . | * | trans | -91.2 | 9.1 | -179.5 | -63.9 | 178.4 | 0 | 0 | 0 | 112.8 | M1 T5 F6 | M1-L3 HydrophobicContact CG-CG 4.09Å; M1-L3 PolarHBondContact O-N 3.5Å; M1-L3 HydrophobicContact SD-CD1 4.48Å; M1-L3 HydrophobicContact SD-CD2 3.72Å; M1-L3 HydrophobicContact SD-CG 4.26Å; M1-L3 HydrophobicContact CG-CD2 3.75Å; L3-T5 PolarHBondContact O-N 3.12Å; L3-F6 HydrophobicContact CB-CB 4.26Å; L3-F6 HydrophobicContact CD2-CB 4.11Å; L3-F6 HydrophobicContact CD2-CG 4.47Å; L3-F6 WeakPolarHBondContact O-CB 3.46Å; L3-F6 PolarHBondContact O-N 3.16Å | ||
| 4 | S | 84.6 | Confident | 86.7 | Confident | 79 Ų | 79 | 108.2 Ų | 108.2 | 55% | 0.552 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -16.4 | -180 | 63.2 | 0 | 0 | 0 | 0 | 114.5 | D2 | D2-S4 PolarHBondContact OD2-OG 3.41Å; D2-S4 PolarHBondContact OD1-OG 3.32Å; D2-S4 PolarHBondContact OD1-N 3.19Å; D2-S4 WeakPolarHBondContact OD1-CB 3.28Å; D2-S4 VanDerWaalsContact CG-OG 3.22Å; D2-S4 VanDerWaalsContact C-N 3.33Å |
| 5 | T | 84.6 | Confident | 85.5 | Confident | 39 Ų | 39 | 110.1 Ų | 110.1 | 24% | 0.239 | 56% | 0.556 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -107.7 | -1.3 | 175.1 | 62 | 0 | 0 | 0 | 0 | 113.5 | L3 M13 L14 K17 | L3-T5 PolarHBondContact O-N 3.12Å; T5-M13 CarbonylContact O-C 3.58Å; T5-M13 VanDerWaalsContact OG1-CE 3.3Å; T5-M13 WeakPolarHBondContact OG1-CE 3.37Å; T5-L14 VanDerWaalsContact O-CB 3.29Å; T5-L14 PolarHBondContact O-N 3.31Å; T5-L14 WeakPolarHBondContact O-CB 3.49Å; T5-K17 HydrophobicContact CG2-CB 4.35Å; T5-K17 HydrophobicContact CG2-CD 4.25Å |
| 6 | F | 91.9 | Very high | 84.3 | Confident | 68 Ų | 68 | 108.8 Ų | 108.8 | 30% | 0.298 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.3 | 130.6 | 178 | -173 | -104 | 0 | 0 | 0 | 110.8 | L3 F8 G11 M13 | L3-F6 HydrophobicContact CB-CB 4.26Å; L3-F6 HydrophobicContact CD2-CB 4.11Å; L3-F6 HydrophobicContact CD2-CG 4.47Å; L3-F6 WeakPolarHBondContact O-CB 3.46Å; L3-F6 PolarHBondContact O-N 3.16Å; F6-F8 HydrophobicContact CE1-CD1 3.94Å; F6-F8 HydrophobicContact CE1-CG 4.37Å; F6-F8 HydrophobicContact CE1-CE1 4.07Å; F6-F8 AromaticContact CE1-CD1 3.94Å; F6-F8 HydrophobicContact CD1-CZ 4.09Å; F6-F8 HydrophobicContact CD1-CG 4.27Å; F6-F8 HydrophobicContact CD1-CE2 4.24Å; F6-F8 HydrophobicContact CD1-CE1 4.02Å; F6-F8 HydrophobicContact CD1-CD2 4.33Å; F6-F8 HydrophobicContact CD1-CD1 4.11Å; F6-G11 WeakPolarHBondContact CE2-O 3.27Å; F6-M13 HydrophobicContact CB-SD 3.79Å; F6-M13 HydrophobicContact CD2-CG 4.31Å; F6-M13 HydrophobicContact CD2-SD 3.68Å; F6-M13 HydrophobicContact CG-SD 4.23Å |
| 7 | D | 88.4 | Confident | 82.9 | Confident | 63 Ų | 63 | 110.3 Ų | 110.3 | 34% | 0.337 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.1 | 113.9 | 175.6 | 179.5 | -0.2 | 0 | 0 | 0 | 110.2 | R9 T10 G11 K12 | D7-R9 VanDerWaalsContact C-N 3.33Å; D7-R9 PolarHBondContact OD1-N 3.43Å; D7-R9 PolarHBondContact O-N 3.47Å; D7-R9 WeakPolarHBondContact OD1-CB 3.38Å; D7-T10 WeakPolarHBondContact CB-OG1 3.42Å; D7-T10 PolarHBondContact O-N 3.47Å; D7-T10 WeakPolarHBondContact OD2-CG2 3.29Å; D7-T10 PolarHBondContact OD2-OG1 2.76Å; D7-G11 VanDerWaalsContact O-CA 3.27Å; D7-G11 WeakPolarHBondContact O-CA 3.35Å; D7-G11 PolarHBondContact O-N 2.87Å; D7-K12 PolarHBondContact N-O 3.02Å; D7-K12 PolarHBondContact O-N 3.08Å; D7-K12 WeakPolarHBondContact CB-O 3.39Å |
| 8 | F | 91.2 | Very high | 81.6 | Confident | 164 Ų | 164 | 112.4 Ų | 112.4 | 72% | 0.719 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -25.5 | 178.9 | -70.8 | -83.8 | 0 | 0 | 0 | 113.9 | F6 | F6-F8 HydrophobicContact CE1-CD1 3.94Å; F6-F8 HydrophobicContact CE1-CG 4.37Å; F6-F8 HydrophobicContact CE1-CE1 4.07Å; F6-F8 AromaticContact CE1-CD1 3.94Å; F6-F8 HydrophobicContact CD1-CZ 4.09Å; F6-F8 HydrophobicContact CD1-CG 4.27Å; F6-F8 HydrophobicContact CD1-CE2 4.24Å; F6-F8 HydrophobicContact CD1-CE1 4.02Å; F6-F8 HydrophobicContact CD1-CD2 4.33Å; F6-F8 HydrophobicContact CD1-CD1 4.11Å |
| 9 | R | 91.1 | Very high | 80.5 | Confident | 235 Ų | 235 | 111.3 Ų | 111.3 | 89% | 0.887 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -36.6 | 178.3 | 176.6 | 179.2 | -80.8 | 172.1 | -5.9 | 111 | D7 | D7-R9 VanDerWaalsContact C-N 3.33Å; D7-R9 PolarHBondContact OD1-N 3.43Å; D7-R9 PolarHBondContact O-N 3.47Å; D7-R9 WeakPolarHBondContact OD1-CB 3.38Å |
| 10 | T | 91 | Very high | 79.5 | Confident | 76 Ų | 76 | 114.3 Ų | 114.3 | 47% | 0.466 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.1 | -12.9 | -174.1 | 64.3 | 0 | 0 | 0 | 0 | 114.3 | D7 K12 | D7-T10 WeakPolarHBondContact CB-OG1 3.42Å; D7-T10 PolarHBondContact O-N 3.47Å; D7-T10 WeakPolarHBondContact OD2-CG2 3.29Å; D7-T10 PolarHBondContact OD2-OG1 2.76Å; T10-K12 PolarHBondContact O-N 3.39Å |
| 11 | G | 91.4 | Very high | 78.4 | Confident | 46 Ų | 46 | 113.6 Ų | 113.6 | 47% | 0.474 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 69.9 | 18.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F6 D7 | F6-G11 WeakPolarHBondContact CE2-O 3.27Å; D7-G11 VanDerWaalsContact O-CA 3.27Å; D7-G11 WeakPolarHBondContact O-CA 3.35Å; D7-G11 PolarHBondContact O-N 2.87Å |
| 12 | K | 89.3 | Confident | 77.6 | Confident | 145 Ų | 145 | 112.5 Ų | 112.5 | 63% | 0.63 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.1 | 147.2 | -173.7 | -65 | -176.9 | -179.2 | -178.1 | 0 | 111.7 | D7 T10 | D7-K12 PolarHBondContact N-O 3.02Å; D7-K12 PolarHBondContact O-N 3.08Å; D7-K12 WeakPolarHBondContact CB-O 3.39Å; T10-K12 PolarHBondContact O-N 3.39Å |
| 13 | M | 89.3 | Confident | 76.6 | Confident | 99 Ų | 99 | 112.7 Ų | 112.7 | 49% | 0.488 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76 | 128.1 | 168.8 | -65 | -69.7 | -84 | 0 | 0 | 109.6 | T5 F6 M15 | T5-M13 CarbonylContact O-C 3.58Å; T5-M13 VanDerWaalsContact OG1-CE 3.3Å; T5-M13 WeakPolarHBondContact OG1-CE 3.37Å; F6-M13 HydrophobicContact CB-SD 3.79Å; F6-M13 HydrophobicContact CD2-CG 4.31Å; F6-M13 HydrophobicContact CD2-SD 3.68Å; F6-M13 HydrophobicContact CG-SD 4.23Å; M13-M15 VanDerWaalsContact C-N 3.31Å; M13-M15 VanDerWaalsContact O-CG 3.28Å; M13-M15 WeakPolarHBondContact O-CG 3.05Å; M13-M15 PolarHBondContact O-N 3.33Å |
| 14 | L | 83.1 | Confident | 75.2 | Confident | 90 Ų | 90 | 119.9 Ų | 119.9 | 47% | 0.471 | 58% | 0.584 | S | S | . | * | trans | -71.4 | 83.1 | 177.5 | -174.2 | 63.9 | 0 | 0 | 0 | 110.3 | T5 S16 K17 | T5-L14 VanDerWaalsContact O-CB 3.29Å; T5-L14 PolarHBondContact O-N 3.31Å; T5-L14 WeakPolarHBondContact O-CB 3.49Å; L14-S16 PolarHBondContact O-N 3.48Å; L14-S16 VanDerWaalsContact O-N 3.08Å; L14-K17 HydrophobicContact CD2-CD 4.27Å; L14-K17 PolarHBondContact O-N 2.72Å; L14-K17 HydrophobicContact CD2-CG 4.33Å | ||
| 15 | M | 69.5 | Low | 73.8 | Confident | 136 Ų | 136 | 121.8 Ų | 121.8 | 67% | 0.67 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -61.4 | -19.7 | -176.8 | -47 | -164.9 | 83.8 | 0 | 0 | 113.7 | M13 K17 M18 N19 | M13-M15 VanDerWaalsContact C-N 3.31Å; M13-M15 VanDerWaalsContact O-CG 3.28Å; M13-M15 WeakPolarHBondContact O-CG 3.05Å; M13-M15 PolarHBondContact O-N 3.33Å; M15-K17 VanDerWaalsContact C-N 3.28Å; M15-K17 PolarHBondContact O-N 2.84Å; M15-M18 WeakPolarHBondContact O-CB 3.3Å; M15-M18 PolarHBondContact O-N 3.48Å; M15-N19 PolarHBondContact O-N 2.77Å |
| 16 | S | 65.3 | Low | 72.6 | Confident | 90 Ų | 90 | 129.5 Ų | 129.5 | 63% | 0.629 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -58 | -37.1 | 178.4 | 178.7 | 0 | 0 | 0 | 0 | 112.8 | L14 M18 | L14-S16 PolarHBondContact O-N 3.48Å; L14-S16 VanDerWaalsContact O-N 3.08Å; S16-M18 VanDerWaalsContact C-N 3.31Å; S16-M18 PolarHBondContact O-N 2.86Å |
| 17 | K | 60.7 | Low | 70.9 | Confident | 134 Ų | 134 | 135.3 Ų | 135.3 | 58% | 0.583 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -73.7 | -23.2 | 176.2 | -72.9 | -178.1 | 178.5 | 173.8 | 0 | 112.9 | T5 L14 M15 N19 | T5-K17 HydrophobicContact CG2-CB 4.35Å; T5-K17 HydrophobicContact CG2-CD 4.25Å; L14-K17 HydrophobicContact CD2-CD 4.27Å; L14-K17 PolarHBondContact O-N 2.72Å; L14-K17 HydrophobicContact CD2-CG 4.33Å; M15-K17 VanDerWaalsContact C-N 3.28Å; M15-K17 PolarHBondContact O-N 2.84Å; K17-N19 VanDerWaalsContact C-N 3.35Å |
| 18 | M | 60 | Low | 69.4 | Low | 148 Ų | 148 | 139.6 Ų | 139.6 | 73% | 0.729 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -78.7 | -19.2 | 179.7 | -146.3 | 175.3 | 82.7 | 0 | 0 | 112.7 | M15 S16 | M15-M18 WeakPolarHBondContact O-CB 3.3Å; M15-M18 PolarHBondContact O-N 3.48Å; S16-M18 VanDerWaalsContact C-N 3.31Å; S16-M18 PolarHBondContact O-N 2.86Å |
| 19 | N | 60.7 | Low | 67.7 | Low | 92 Ų | 92 | 137 Ų | 137 | 49% | 0.492 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -93.9 | -9.3 | -175.2 | -145.6 | -22.9 | 0 | 0 | 0 | 114.3 | M15 K17 S21 R22 Q23 | M15-N19 PolarHBondContact O-N 2.77Å; K17-N19 VanDerWaalsContact C-N 3.35Å; N19-S21 PolarHBondContact O-N 2.91Å; N19-S21 VanDerWaalsContact O-N 3.16Å; N19-R22 PolarHBondContact O-N 3Å; N19-R22 VanDerWaalsContact O-N 3.12Å; N19-Q23 PolarHBondContact O-N 2.71Å |
| 20 | K | 60.4 | Low | 66 | Low | 171 Ų | 171 | 130.4 Ų | 130.4 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61.9 | -21.2 | 173.1 | -90.5 | -179 | 173.3 | 175.7 | 0 | 113.4 | ||
| 21 | S | 56.6 | Low | 64.4 | Low | 99 Ų | 99 | 134.2 Ų | 134.2 | 69% | 0.692 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.3 | -29.8 | 175.7 | 178.7 | 0 | 0 | 0 | 0 | 113.2 | N19 | N19-S21 PolarHBondContact O-N 2.91Å; N19-S21 VanDerWaalsContact O-N 3.16Å |
| 22 | R | 57.6 | Low | 62.8 | Low | 188 Ų | 188 | 141.1 Ų | 141.1 | 71% | 0.709 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -93.9 | -20.2 | -176.3 | -84.2 | -177.8 | 176.6 | -172.6 | -0.4 | 115 | N19 | N19-R22 PolarHBondContact O-N 3Å; N19-R22 VanDerWaalsContact O-N 3.12Å |
| 23 | Q | 57.5 | Low | 60.8 | Low | 125 Ų | 125 | 140.7 Ų | 140.7 | 58% | 0.584 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -80.9 | -20.3 | 178 | -85 | -169.1 | -32.8 | 0 | 0 | 114.2 | N19 V25 R26 | N19-Q23 PolarHBondContact O-N 2.71Å; Q23-V25 PolarHBondContact O-N 3.15Å; Q23-R26 PolarHBondContact O-N 2.91Å |
| 24 | R | 55.3 | Low | 58.7 | Low | 230 Ų | 230 | 148.7 Ų | 148.7 | 87% | 0.868 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -13 | -178 | -151.5 | 175.2 | 174.5 | -170.8 | -2.9 | 113.9 | ||
| 25 | V | 54.9 | Low | 57.5 | Low | 119 Ų | 119 | 151.7 Ų | 151.7 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -14.9 | 179.3 | -172.1 | 0 | 0 | 0 | 0 | 112.7 | Q23 | Q23-V25 PolarHBondContact O-N 3.15Š|
| 26 | R | 60.5 | Low | 56.9 | Low | 202 Ų | 202 | 152.5 Ų | 152.5 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -104.9 | 8.6 | -171.5 | -87 | -166.3 | 177.4 | 108.7 | -2.2 | 116 | Q23 | Q23-R26 PolarHBondContact O-N 2.91Š|
| 27 | Y | 55.3 | Low | 56.4 | Low | 189 Ų | 189 | 155.9 Ų | 155.9 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -119.5 | 2.6 | 177.5 | -97.2 | -81.1 | 0 | 0 | 0 | 115.7 | S29 | Y27-S29 VanDerWaalsContact C-N 3.35Å; Y27-S29 PolarHBondContact O-N 3.39Å |
| 28 | D | 56.6 | Low | 56.1 | Low | 154 Ų | 154 | 157.2 Ų | 157.2 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 24 | 177.1 | -161.1 | 25.5 | 0 | 0 | 0 | 114.1 | ||
| 29 | S | 55.6 | Low | 55.9 | Low | 110 Ų | 110 | 157.8 Ų | 157.8 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.6 | 32 | 177.2 | 28.4 | 0 | 0 | 0 | 0 | 113.3 | Y27 | Y27-S29 VanDerWaalsContact C-N 3.35Å; Y27-S29 PolarHBondContact O-N 3.39Å |
| 30 | S | 55.7 | Low | 55.6 | Low | 96 Ų | 96 | 162.2 Ų | 162.2 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -133.2 | 45.3 | 171.2 | -156.5 | 0 | 0 | 0 | 0 | 112.3 | ||
| 31 | N | 56.8 | Low | 55.2 | Low | 155 Ų | 155 | 161.6 Ų | 161.6 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -145.4 | 24.6 | 167.5 | -128.1 | 17.7 | 0 | 0 | 0 | 114.7 | ||
| 32 | Q | 58.6 | Low | 55.1 | Low | 192 Ų | 192 | 166.4 Ų | 166.4 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -121 | 67.7 | 166.2 | -67.7 | -72.5 | -17.5 | 0 | 0 | 107.8 | ||||
| 33 | V | 46.8 | Very low | 54.9 | Low | 135 Ų | 135 | 164.6 Ų | 164.6 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -97.9 | 116.6 | 160.5 | -175.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 34 | K | 45.6 | Very low | 54.7 | Low | 268 Ų | 268 | 168.2 Ų | 168.2 | 100% | 1.165 | 82% | 0.824 | S | S | * | * | trans | -36.3 | 0 | 175.6 | 178.3 | 176.5 | 174 | -75.8 | 0 | 115.7 |
Retrieved 34 of 34 residues in 315.9 ms
(Link to these results)