| 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 | K | 51.2 | Low | 84.3 | Confident | 235 Ų | 235 | 107.4 Ų | 107.4 | 100% | 1.022 | 54% | 0.544 | S | S | * | . | 0 | 111 | 0 | -163.8 | 179.2 | -177.4 | -172.7 | 0 | 106.1 | |||||
| 2 | L | 58.4 | Low | 85.4 | Confident | 143 Ų | 143 | 106.7 Ų | 106.7 | 75% | 0.749 | 57% | 0.567 | S | S | * | * | trans | -55.1 | 142.9 | 170.9 | -89.9 | 97 | 0 | 0 | 0 | 107.8 | S4 I44 | L2-S4 PolarHBondContact O-N 3.04Å; L2-I44 HydrophobicContact CD1-CD1 4.45Å; L2-I44 HydrophobicContact CD2-CD1 4.25Å | ||
| 3 | S | 60.6 | Low | 86.4 | Confident | 82 Ų | 82 | 103.2 Ų | 103.2 | 57% | 0.573 | 55% | 0.548 | S | S | * | . | trans | -46.7 | 114.2 | -170.2 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | R5 | S3-R5 PolarHBondContact O-N 2.91Š| ||
| 4 | S | 84.9 | Confident | 87.2 | Confident | 43 Ų | 43 | 101.2 Ų | 101.2 | 30% | 0.301 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -72.1 | -19.4 | 173.4 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | L2 D40 G41 V42 | L2-S4 PolarHBondContact O-N 3.04Å; S4-D40 CarbonylContact O-C 3.51Å; S4-G41 CarbonylContact O-C 3.56Å; S4-G41 WeakPolarHBondContact O-CA 3.35Å; S4-G41 PolarHBondContact O-N 3.45Å; S4-V42 PolarHBondContact O-N 3.45Å |
| 5 | R | 92.9 | Very high | 87.9 | Confident | 112 Ų | 112 | 104 Ų | 104 | 42% | 0.423 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.4 | 179.6 | -166.9 | 169 | -178 | 176.8 | -0.7 | 111.5 | S3 F7 D38 C39 D40 | S3-R5 PolarHBondContact O-N 2.91Å; R5-F7 HydrophobicContact CG-CE1 4.35Å; R5-F7 HydrophobicContact CG-CE2 4.09Å; R5-F7 HydrophobicContact CG-CZ 3.89Å; R5-D38 IonicContact CZ-OD1 3.37Å; R5-D38 IonicContact CZ-OD2 3.58Å; R5-D38 IonicContact NE-OD1 2.75Å; R5-D38 PolarHBondContact NE-OD1 3.5Å; R5-D38 IonicContact NE-OD2 3.71Å; R5-D38 VanDerWaalsContact NH2-CG 3.31Å; R5-D38 IonicContact NH2-OD1 3.18Å; R5-D38 PolarHBondContact NH2-OD1 3.25Å; R5-D38 IonicContact NH2-OD2 2.65Å; R5-D38 PolarHBondContact NH2-OD2 3.33Å; R5-C39 CarbonylContact C-O 3.34Å; R5-C39 VanDerWaalsContact CA-O 3.23Å; R5-C39 WeakPolarHBondContact CA-O 3.31Å; R5-C39 WeakPolarHBondContact CG-O 3.46Å; R5-D40 HydrophobicContact CB-CB 4.44Å; R5-D40 HydrophobicContact CG-CB 4.13Å |
| 6 | V | 93.2 | Very high | 88.5 | Confident | 65 Ų | 65 | 105.5 Ų | 105.5 | 39% | 0.394 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115 | 131.6 | 179.5 | 176.3 | 0 | 0 | 0 | 0 | 108.6 | D38 C39 V42 | V6-D38 WeakPolarHBondContact O-CA 3.35Å; V6-C39 PolarHBondContact N-O 2.78Å; V6-C39 PolarHBondContact O-N 2.65Å; V6-V42 HydrophobicContact CB-CG2 4.23Å; V6-V42 HydrophobicContact CG2-CB 4.05Å; V6-V42 HydrophobicContact CG2-CG1 4.23Å; V6-V42 HydrophobicContact CG2-CG2 3.75Å |
| 7 | F | 95.9 | Very high | 89.1 | Confident | 96 Ų | 96 | 104.9 Ų | 104.9 | 42% | 0.421 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.8 | 136.2 | 170.4 | -61.5 | -74.2 | 0 | 0 | 0 | 109.4 | R5 R36 G37 D38 | R5-F7 HydrophobicContact CG-CE1 4.35Å; R5-F7 HydrophobicContact CG-CE2 4.09Å; R5-F7 HydrophobicContact CG-CZ 3.89Å; F7-R36 VanDerWaalsContact CE1-NH2 3.25Å; F7-G37 VanDerWaalsContact CA-O 3.29Å; F7-G37 WeakPolarHBondContact CA-O 3.4Å; F7-D38 HydrophobicContact CD1-CB 4.25Å; F7-D38 HydrophobicContact CE1-CB 4.37Å; F7-D38 WeakPolarHBondContact CE1-OD1 3.47Å; F7-D38 WeakPolarHBondContact CE1-OD2 3.45Å |
| 8 | L | 96.7 | Very high | 89.6 | Confident | 103 Ų | 103 | 108.8 Ų | 108.8 | 54% | 0.539 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.8 | 121.9 | 173.2 | -176.8 | 65 | 0 | 0 | 0 | 109.1 | Y21 R36 G37 | L8-Y21 HydrophobicContact CD2-CD1 4.02Å; L8-Y21 HydrophobicContact CD2-CE1 3.94Å; L8-Y21 HydrophobicContact CG-CD1 4.39Å; L8-Y21 HydrophobicContact CG-CE1 4.06Å; L8-R36 CarbonylContact O-C 3.48Å; L8-R36 WeakPolarHBondContact O-CA 3.34Å; L8-R36 WeakPolarHBondContact O-CB 3.3Å; L8-G37 PolarHBondContact N-O 3.18Å; L8-G37 PolarHBondContact O-N 2.75Å |
| 9 | D | 98.1 | Very high | 90 | Very high | 101 Ų | 101 | 106.3 Ų | 106.3 | 54% | 0.54 | 57% | 0.568 | S | S | . | * | trans | -138 | 167.8 | -176.2 | -149.3 | -15.8 | 0 | 0 | 0 | 110.7 | ||||
| 10 | H | 97.6 | Very high | 90.5 | Very high | 68 Ų | 68 | 105.2 Ų | 105.2 | 32% | 0.315 | 57% | 0.566 | S | S | . | * | trans | -113.9 | 158.2 | 174.5 | 50.6 | -90.6 | 0 | 0 | 0 | 111.6 | L13 Y21 | H10-L13 WeakPolarHBondContact CD2-CD1 3.13Å; H10-L13 WeakPolarHBondContact NE2-CD1 3.45Å; H10-Y21 AromaticContact CE1-CE2 3.9Å; H10-Y21 AromaticContact ND1-CE2 3.46Å; H10-Y21 WeakPolarHBondContact ND1-CE2 3.23Å; H10-Y21 AromaticContact ND1-CZ 3.58Å; H10-Y21 PolarHBondContact ND1-OH 2.68Å | ||
| 11 | N | 98.1 | Very high | 90.8 | Very high | 133 Ų | 133 | 102.2 Ų | 102.2 | 71% | 0.711 | 55% | 0.547 | S | S | * | . | trans | -69 | 167.9 | 167.6 | 65.1 | -32.5 | 0 | 0 | 0 | 110.7 | L13 | N11-L13 PolarHBondContact O-N 3.09Š| ||
| 12 | A | 97.8 | Very high | 93.1 | Very high | 99 Ų | 99 | 94.4 Ų | 94.4 | 82% | 0.818 | 52% | 0.516 | S | S | * | . | trans | -51.8 | 132.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 13 | L | 97.9 | Very high | 95 | Very high | 61 Ų | 61 | 88 Ų | 88 | 32% | 0.319 | 48% | 0.484 | S | S | . | . | trans | -110.2 | 153.2 | 178.4 | -64.7 | 177.5 | 0 | 0 | 0 | 110.8 | H10 N11 L17 V19 | H10-L13 WeakPolarHBondContact CD2-CD1 3.13Å; H10-L13 WeakPolarHBondContact NE2-CD1 3.45Å; N11-L13 PolarHBondContact O-N 3.09Å; L13-L17 HydrophobicContact CB-CB 4.41Å; L13-L17 HydrophobicContact CD1-CB 4.37Å; L13-L17 HydrophobicContact CD2-CD1 4.47Å; L13-V19 HydrophobicContact CD1-CB 4.2Å; L13-V19 HydrophobicContact CD1-CG2 3.49Å; L13-V19 VanDerWaalsContact CD1-CG2 3.49Å | ||
| 14 | P | 98.1 | Very high | 96.7 | Very high | 76 Ų | 76 | 91 Ų | 91 | 49% | 0.494 | 49% | 0.486 | S | S | . | . | trans | -66.1 | 154.5 | 167.6 | 29.9 | -35.1 | 0 | 0 | 0 | 111.2 | T16 L17 | P14-T16 PolarHBondContact O-N 3.14Å; P14-L17 HydrophobicContact CG-CD1 3.93Å; P14-L17 HydrophobicContact CG-CG 4.08Å; P14-L17 PolarHBondContact O-N 3.47Å | ||
| 15 | D | 96.9 | Very high | 97.1 | Very high | 143 Ų | 143 | 89.5 Ų | 89.5 | 77% | 0.765 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.9 | -173.1 | -65.5 | -28.7 | 0 | 0 | 0 | 114.8 | L17 K18 | D15-L17 VanDerWaalsContact C-N 3.31Å; D15-K18 WeakPolarHBondContact O-CE 3.49Å; D15-K18 PolarHBondContact O-NZ 3.36Å |
| 16 | T | 98.3 | Very high | 97 | Very high | 128 Ų | 128 | 88.1 Ų | 88.1 | 79% | 0.785 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -16.5 | 179 | 54 | 0 | 0 | 0 | 0 | 113.7 | P14 | P14-T16 PolarHBondContact O-N 3.14Š|
| 17 | L | 98.1 | Very high | 96.9 | Very high | 96 Ų | 96 | 88.9 Ų | 88.9 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | trans | -102.6 | 130.2 | 177.8 | -62.1 | 179.9 | 0 | 0 | 0 | 110.3 | L13 P14 D15 | L13-L17 HydrophobicContact CB-CB 4.41Å; L13-L17 HydrophobicContact CD1-CB 4.37Å; L13-L17 HydrophobicContact CD2-CD1 4.47Å; P14-L17 HydrophobicContact CG-CD1 3.93Å; P14-L17 HydrophobicContact CG-CG 4.08Å; P14-L17 PolarHBondContact O-N 3.47Å; D15-L17 VanDerWaalsContact C-N 3.31Å | ||
| 18 | K | 97.9 | Very high | 96.6 | Very high | 174 Ų | 174 | 87.4 Ų | 87.4 | 76% | 0.757 | 50% | 0.498 | S | S | * | . | trans | -120.5 | 123.8 | 173.7 | -58.1 | -60.9 | 174.4 | -155 | 0 | 108.4 | D15 | D15-K18 WeakPolarHBondContact O-CE 3.49Å; D15-K18 PolarHBondContact O-NZ 3.36Å | ||
| 19 | V | 98.3 | Very high | 96.6 | Very high | 61 Ų | 61 | 85.4 Ų | 85.4 | 37% | 0.37 | 49% | 0.49 | S | S | . | . | trans | -120.6 | 134.1 | 179.5 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | L13 Y21 | L13-V19 HydrophobicContact CD1-CB 4.2Å; L13-V19 HydrophobicContact CD1-CG2 3.49Å; L13-V19 VanDerWaalsContact CD1-CG2 3.49Å; V19-Y21 HydrophobicContact CG1-CD2 4.34Å; V19-Y21 HydrophobicContact CG1-CE1 4.46Å; V19-Y21 HydrophobicContact CG1-CE2 3.66Å | ||
| 20 | T | 98.5 | Very high | 96.6 | Very high | 84 Ų | 84 | 83.9 Ų | 83.9 | 52% | 0.515 | 48% | 0.484 | S | S | . | . | trans | -131.5 | 154.3 | 171.5 | 57.4 | 0 | 0 | 0 | 0 | 109.5 | Q34 | T20-Q34 CarbonylContact C-O 3.48Å; T20-Q34 VanDerWaalsContact CA-O 3.31Å; T20-Q34 WeakPolarHBondContact CA-O 3.35Å | ||
| 21 | Y | 98.5 | Very high | 96.6 | Very high | 43 Ų | 43 | 84 Ų | 84 | 17% | 0.169 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 134.7 | -177.5 | -60.9 | -95 | 0 | 0 | 0 | 110.4 | L8 H10 V19 N33 Q34 P35 | L8-Y21 HydrophobicContact CD2-CD1 4.02Å; L8-Y21 HydrophobicContact CD2-CE1 3.94Å; L8-Y21 HydrophobicContact CG-CD1 4.39Å; L8-Y21 HydrophobicContact CG-CE1 4.06Å; H10-Y21 AromaticContact CE1-CE2 3.9Å; H10-Y21 AromaticContact ND1-CE2 3.46Å; H10-Y21 WeakPolarHBondContact ND1-CE2 3.23Å; H10-Y21 AromaticContact ND1-CZ 3.58Å; H10-Y21 PolarHBondContact ND1-OH 2.68Å; V19-Y21 HydrophobicContact CG1-CD2 4.34Å; V19-Y21 HydrophobicContact CG1-CE1 4.46Å; V19-Y21 HydrophobicContact CG1-CE2 3.66Å; Y21-N33 PolarHBondContact O-N 2.95Å; Y21-Q34 PolarHBondContact N-O 3.27Å; Y21-Q34 PolarHBondContact O-N 2.05Å; Y21-P35 WeakPolarHBondContact CD2-O 3.4Å; Y21-P35 WeakPolarHBondContact CE2-O 3.24Å |
| 22 | D | 98.3 | Very high | 96.6 | Very high | 72 Ų | 72 | 85.4 Ų | 85.4 | 39% | 0.385 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 126.6 | 162.7 | -72.6 | 2.8 | 0 | 0 | 0 | 107.9 | F24 H31 R32 N33 | D22-F24 HydrophobicContact CB-CD2 4.47Å; D22-F24 HydrophobicContact CB-CE2 3.69Å; D22-F24 HydrophobicContact CB-CZ 4.05Å; D22-H31 CarbonylContact C-O 3.52Å; D22-H31 VanDerWaalsContact CA-O 3.24Å; D22-H31 WeakPolarHBondContact CA-O 3.06Å; D22-R32 WeakPolarHBondContact OD1-CA 3.04Å; D22-N33 PolarHBondContact OD1-N 3.01Å |
| 23 | S | 97.9 | Very high | 96.6 | Very high | 9 Ų | 9 | 86.1 Ų | 86.1 | 6% | 0.063 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 111.1 | 179 | -53.3 | 0 | 0 | 0 | 0 | 109.1 | T30 H31 G37 D38 | S23-T30 VanDerWaalsContact O-CA 3.3Å; S23-T30 WeakPolarHBondContact O-CA 3.34Å; S23-H31 PolarHBondContact N-O 2.77Å; S23-H31 PolarHBondContact O-N 2.95Å; S23-G37 VanDerWaalsContact OG-CA 3.26Å; S23-G37 WeakPolarHBondContact OG-CA 3.36Å; S23-D38 PolarHBondContact OG-N 2.97Å |
| 24 | F | 96.4 | Very high | 96.6 | Very high | 143 Ų | 143 | 87.4 Ų | 87.4 | 63% | 0.627 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 94.7 | 173.6 | -57.9 | -85.7 | 0 | 0 | 0 | 108 | D22 T30 | D22-F24 HydrophobicContact CB-CD2 4.47Å; D22-F24 HydrophobicContact CB-CE2 3.69Å; D22-F24 HydrophobicContact CB-CZ 4.05Å; F24-T30 HydrophobicContact CD1-CG2 3.89Å; F24-T30 HydrophobicContact CE1-CG2 3.88Å |
| 25 | C | 93.8 | Very high | 96.6 | Very high | 12 Ų | 12 | 88.1 Ų | 88.1 | 8% | 0.081 | 48% | 0.479 | C | S | . | . | trans | -89 | 149.7 | -169.2 | -53.3 | 0 | 0 | 0 | 0 | 112 | N27 G28 V29 D38 C39 | C25-N27 WeakPolarHBondContact CB-OD1 3.32Å; C25-N27 PolarHBondContact O-N 2.98Å; C25-G28 PolarHBondContact O-N 3.39Å; C25-V29 HydrophobicContact CB-CB 4.41Å; C25-V29 WeakPolarHBondContact CB-O 3.29Å; C25-V29 PolarHBondContact N-O 3.29Å; C25-D38 PolarHBondContact SG-O 3.32Å; C25-D38 VanDerWaalsContact SG-O 3.39Å; C25-C39 WeakPolarHBondContact CA-SG 3.18Å; C25-C39 HydrophobicContact CB-CB 3.75Å; C25-C39 WeakPolarHBondContact CB-SG 3.48Å; C25-C39 WeakPolarHBondContact SG-CA 3.39Å; C25-C39 WeakPolarHBondContact SG-CB 3.26Å; C25-C39 CovalentContact SG-SG 2.05Å; C25-C39 PolarHBondContact SG-SG 3.2Å | ||
| 26 | S | 90.5 | Very high | 96.7 | Very high | 84 Ų | 84 | 86.2 Ų | 86.2 | 59% | 0.587 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -20.4 | -179.2 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | G28 | S26-G28 PolarHBondContact O-N 2.78Š|
| 27 | N | 90.6 | Very high | 96.6 | Very high | 80 Ų | 80 | 80.4 Ų | 80.4 | 43% | 0.428 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 9.4 | 173.8 | 67.6 | -7.4 | 0 | 0 | 0 | 113.2 | C25 V29 D40 | C25-N27 WeakPolarHBondContact CB-OD1 3.32Å; C25-N27 PolarHBondContact O-N 2.98Å; N27-V29 VanDerWaalsContact C-N 3.25Å; N27-V29 PolarHBondContact O-N 3.17Å; N27-V29 WeakPolarHBondContact OD1-CB 3.33Å; N27-V29 WeakPolarHBondContact OD1-CG2 3.4Å; N27-V29 PolarHBondContact OD1-N 3.39Å; N27-V29 VanDerWaalsContact OD1-N 3.14Å; N27-D40 PolarHBondContact ND2-O 3.02Å; N27-D40 VanDerWaalsContact ND2-O 3.09Å |
| 28 | G | 91.4 | Very high | 96.6 | Very high | 66 Ų | 66 | 77.1 Ų | 77.1 | 68% | 0.68 | 41% | 0.409 | S | S | * | . | S | Bend | trans | 80.9 | -4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.6 | C25 S26 | C25-G28 PolarHBondContact O-N 3.39Å; S26-G28 PolarHBondContact O-N 2.78Å |
| 29 | V | 95.9 | Very high | 96.5 | Very high | 61 Ų | 61 | 69.8 Ų | 69.8 | 37% | 0.37 | 38% | 0.38 | S | S | . | . | trans | -73.2 | 136.3 | 175.6 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | C25 N27 H31 | C25-V29 HydrophobicContact CB-CB 4.41Å; C25-V29 WeakPolarHBondContact CB-O 3.29Å; C25-V29 PolarHBondContact N-O 3.29Å; N27-V29 VanDerWaalsContact C-N 3.25Å; N27-V29 PolarHBondContact O-N 3.17Å; N27-V29 WeakPolarHBondContact OD1-CB 3.33Å; N27-V29 WeakPolarHBondContact OD1-CG2 3.4Å; N27-V29 PolarHBondContact OD1-N 3.39Å; N27-V29 VanDerWaalsContact OD1-N 3.14Å; V29-H31 VanDerWaalsContact CG1-NE2 3.32Å; V29-H31 WeakPolarHBondContact CG1-NE2 3.41Å | ||
| 30 | T | 97.6 | Very high | 96.2 | Very high | 68 Ų | 68 | 70.7 Ų | 70.7 | 42% | 0.417 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124.4 | 173.3 | -58.5 | 0 | 0 | 0 | 0 | 110 | S23 F24 R32 | S23-T30 VanDerWaalsContact O-CA 3.3Å; S23-T30 WeakPolarHBondContact O-CA 3.34Å; F24-T30 HydrophobicContact CD1-CG2 3.89Å; F24-T30 HydrophobicContact CE1-CG2 3.88Å; T30-R32 HydrophobicContact CG2-CG 4.07Å |
| 31 | H | 97.8 | Very high | 95.7 | Very high | 70 Ų | 70 | 68 Ų | 68 | 32% | 0.324 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 137.2 | 168 | -61.4 | -71.6 | 0 | 0 | 0 | 109.2 | D22 S23 V29 Q34 D38 | D22-H31 CarbonylContact C-O 3.52Å; D22-H31 VanDerWaalsContact CA-O 3.24Å; D22-H31 WeakPolarHBondContact CA-O 3.06Å; S23-H31 PolarHBondContact N-O 2.77Å; S23-H31 PolarHBondContact O-N 2.95Å; V29-H31 VanDerWaalsContact CG1-NE2 3.32Å; V29-H31 WeakPolarHBondContact CG1-NE2 3.41Å; H31-Q34 HydrophobicContact CB-CG 3.92Å; H31-D38 PolarHBondContact CD2-O 2.83Å; H31-D38 VanDerWaalsContact CD2-O 3.29Å |
| 32 | R | 98.3 | Very high | 95.2 | Very high | 163 Ų | 163 | 68.7 Ų | 68.7 | 62% | 0.615 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 146.6 | 178 | -64.4 | -174.3 | -176.7 | 171.5 | 0.2 | 111.9 | D22 T30 Q34 | D22-R32 WeakPolarHBondContact OD1-CA 3.04Å; T30-R32 HydrophobicContact CG2-CG 4.07Å; R32-Q34 PolarHBondContact O-N 2.98Å; R32-Q34 PolarHBondContact O-NE2 3.12Å; R32-Q34 VanDerWaalsContact O-NE2 3.12Å |
| 33 | N | 97.9 | Very high | 94.5 | Very high | 115 Ų | 115 | 71.7 Ų | 71.7 | 62% | 0.615 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.6 | 36.5 | 175.8 | -59.1 | -49.1 | 0 | 0 | 0 | 114 | Y21 D22 | Y21-N33 PolarHBondContact O-N 2.95Å; D22-N33 PolarHBondContact OD1-N 3.01Å |
| 34 | Q | 98.5 | Very high | 93.8 | Very high | 87 Ų | 87 | 77.7 Ų | 77.7 | 41% | 0.407 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 153.3 | 179.7 | -66.6 | -54.9 | -54.7 | 0 | 0 | 111.5 | T20 Y21 H31 R32 R36 | T20-Q34 CarbonylContact C-O 3.48Å; T20-Q34 VanDerWaalsContact CA-O 3.31Å; T20-Q34 WeakPolarHBondContact CA-O 3.35Å; Y21-Q34 PolarHBondContact N-O 3.27Å; Y21-Q34 PolarHBondContact O-N 2.05Å; H31-Q34 HydrophobicContact CB-CG 3.92Å; R32-Q34 PolarHBondContact O-N 2.98Å; R32-Q34 PolarHBondContact O-NE2 3.12Å; R32-Q34 VanDerWaalsContact O-NE2 3.12Å; Q34-R36 WeakPolarHBondContact CB-O 3.46Å; Q34-R36 PolarHBondContact O-N 2.83Å |
| 35 | P | 98 | Very high | 92.6 | Very high | 91 Ų | 91 | 78.4 Ų | 78.4 | 59% | 0.591 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -67.3 | -20.4 | 179.2 | 26.7 | -35.1 | 0 | 0 | 0 | 113.5 | Y21 | Y21-P35 WeakPolarHBondContact CD2-O 3.4Å; Y21-P35 WeakPolarHBondContact CE2-O 3.24Å |
| 36 | R | 97.8 | Very high | 91.1 | Very high | 103 Ų | 103 | 82 Ų | 82 | 39% | 0.389 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -141.7 | 154.6 | 175 | 68.2 | -179.4 | -173.7 | 179.2 | 1.4 | 110.1 | F7 L8 Q34 | F7-R36 VanDerWaalsContact CE1-NH2 3.25Å; L8-R36 CarbonylContact O-C 3.48Å; L8-R36 WeakPolarHBondContact O-CA 3.34Å; L8-R36 WeakPolarHBondContact O-CB 3.3Å; Q34-R36 WeakPolarHBondContact CB-O 3.46Å; Q34-R36 PolarHBondContact O-N 2.83Å |
| 37 | G | 97.7 | Very high | 89.4 | Confident | 6 Ų | 6 | 87 Ų | 87 | 6% | 0.062 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 141.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F7 L8 S23 | F7-G37 VanDerWaalsContact CA-O 3.29Å; F7-G37 WeakPolarHBondContact CA-O 3.4Å; L8-G37 PolarHBondContact N-O 3.18Å; L8-G37 PolarHBondContact O-N 2.75Å; S23-G37 VanDerWaalsContact OG-CA 3.26Å; S23-G37 WeakPolarHBondContact OG-CA 3.36Å |
| 38 | D | 97 | Very high | 89.4 | Confident | 27 Ų | 27 | 87.4 Ų | 87.4 | 14% | 0.144 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 111.8 | -174.4 | -169.7 | -10.3 | 0 | 0 | 0 | 110.3 | R5 V6 F7 S23 C25 H31 | R5-D38 IonicContact CZ-OD1 3.37Å; R5-D38 IonicContact CZ-OD2 3.58Å; R5-D38 IonicContact NE-OD1 2.75Å; R5-D38 PolarHBondContact NE-OD1 3.5Å; R5-D38 IonicContact NE-OD2 3.71Å; R5-D38 VanDerWaalsContact NH2-CG 3.31Å; R5-D38 IonicContact NH2-OD1 3.18Å; R5-D38 PolarHBondContact NH2-OD1 3.25Å; R5-D38 IonicContact NH2-OD2 2.65Å; R5-D38 PolarHBondContact NH2-OD2 3.33Å; V6-D38 WeakPolarHBondContact O-CA 3.35Å; F7-D38 HydrophobicContact CD1-CB 4.25Å; F7-D38 HydrophobicContact CE1-CB 4.37Å; F7-D38 WeakPolarHBondContact CE1-OD1 3.47Å; F7-D38 WeakPolarHBondContact CE1-OD2 3.45Å; S23-D38 PolarHBondContact OG-N 2.97Å; C25-D38 PolarHBondContact SG-O 3.32Å; C25-D38 VanDerWaalsContact SG-O 3.39Å; H31-D38 PolarHBondContact CD2-O 2.83Å; H31-D38 VanDerWaalsContact CD2-O 3.29Å |
| 39 | C | 95.4 | Very high | 89.3 | Confident | 21 Ų | 21 | 88.5 Ų | 88.5 | 14% | 0.142 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 124.2 | 174.1 | -74.9 | 0 | 0 | 0 | 0 | 111 | R5 V6 C25 V42 | R5-C39 CarbonylContact C-O 3.34Å; R5-C39 VanDerWaalsContact CA-O 3.23Å; R5-C39 WeakPolarHBondContact CA-O 3.31Å; R5-C39 WeakPolarHBondContact CG-O 3.46Å; V6-C39 PolarHBondContact N-O 2.78Å; V6-C39 PolarHBondContact O-N 2.65Å; C25-C39 WeakPolarHBondContact CA-SG 3.18Å; C25-C39 HydrophobicContact CB-CB 3.75Å; C25-C39 WeakPolarHBondContact CB-SG 3.48Å; C25-C39 WeakPolarHBondContact SG-CA 3.39Å; C25-C39 WeakPolarHBondContact SG-CB 3.26Å; C25-C39 CovalentContact SG-SG 2.05Å; C25-C39 PolarHBondContact SG-SG 3.2Å; C39-V42 HydrophobicContact CB-CG2 3.91Å |
| 40 | D | 93.3 | Very high | 88.9 | Confident | 79 Ų | 79 | 90.1 Ų | 90.1 | 42% | 0.422 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 161.1 | 170.9 | -167.1 | 28 | 0 | 0 | 0 | 111.5 | S4 R5 N27 V42 | S4-D40 CarbonylContact O-C 3.51Å; R5-D40 HydrophobicContact CB-CB 4.44Å; R5-D40 HydrophobicContact CG-CB 4.13Å; N27-D40 PolarHBondContact ND2-O 3.02Å; N27-D40 VanDerWaalsContact ND2-O 3.09Å; D40-V42 VanDerWaalsContact C-N 3.35Å; D40-V42 PolarHBondContact O-N 2.8Å |
| 41 | G | 88 | Confident | 88.4 | Confident | 27 Ų | 27 | 91.4 Ų | 91.4 | 28% | 0.278 | 49% | 0.487 | S | S | . | . | S | Bend | trans | 63.4 | 30.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S4 Q43 | S4-G41 CarbonylContact O-C 3.56Å; S4-G41 WeakPolarHBondContact O-CA 3.35Å; S4-G41 PolarHBondContact O-N 3.45Å; G41-Q43 PolarHBondContact O-N 3.07Å |
| 42 | V | 87.1 | Confident | 87.8 | Confident | 59 Ų | 59 | 92.7 Ų | 92.7 | 36% | 0.358 | 50% | 0.497 | S | S | . | . | trans | -68.6 | 130.7 | 176.2 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | S4 V6 C39 D40 | S4-V42 PolarHBondContact O-N 3.45Å; V6-V42 HydrophobicContact CB-CG2 4.23Å; V6-V42 HydrophobicContact CG2-CB 4.05Å; V6-V42 HydrophobicContact CG2-CG1 4.23Å; V6-V42 HydrophobicContact CG2-CG2 3.75Å; C39-V42 HydrophobicContact CB-CG2 3.91Å; D40-V42 VanDerWaalsContact C-N 3.35Å; D40-V42 PolarHBondContact O-N 2.8Å | ||
| 43 | Q | 83.4 | Confident | 87.1 | Confident | 134 Ų | 134 | 88 Ų | 88 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | trans | -118.3 | 153.6 | -174.3 | -65.2 | 176 | 45 | 0 | 0 | 111 | G41 N45 V46 | G41-Q43 PolarHBondContact O-N 3.07Å; Q43-N45 PolarHBondContact O-N 3Å; Q43-V46 HydrophobicContact CB-CB 4.47Å; Q43-V46 HydrophobicContact CB-CG2 3.47Å; Q43-V46 VanDerWaalsContact CB-CG2 3.47Å; Q43-V46 HydrophobicContact CG-CG2 4.35Å | ||
| 44 | I | 83 | Confident | 86.3 | Confident | 135 Ų | 135 | 86.1 Ų | 86.1 | 69% | 0.692 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 115.5 | 176.4 | -60.4 | 172.6 | 0 | 0 | 0 | 108.2 | L2 V46 | L2-I44 HydrophobicContact CD1-CD1 4.45Å; L2-I44 HydrophobicContact CD2-CD1 4.25Å; I44-V46 PolarHBondContact O-N 3Å |
| 45 | N | 72.1 | Confident | 85.4 | Confident | 159 Ų | 159 | 86 Ų | 86 | 85% | 0.85 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 40.8 | 164.4 | -154.9 | 48.2 | 0 | 0 | 0 | 115.6 | Q43 P47 | Q43-N45 PolarHBondContact O-N 3Å; N45-P47 WeakPolarHBondContact O-CD 3.4Å |
| 46 | V | 61.7 | Low | 84.3 | Confident | 86 Ų | 86 | 85.6 Ų | 85.6 | 52% | 0.521 | 48% | 0.477 | S | S | . | . | trans | -85.6 | 117.5 | 169.5 | -174.9 | 0 | 0 | 0 | 0 | 107.9 | Q43 I44 | Q43-V46 HydrophobicContact CB-CB 4.47Å; Q43-V46 HydrophobicContact CB-CG2 3.47Å; Q43-V46 VanDerWaalsContact CB-CG2 3.47Å; Q43-V46 HydrophobicContact CG-CG2 4.35Å; I44-V46 PolarHBondContact O-N 3Å | ||
| 47 | P | 55.4 | Low | 83.1 | Confident | 191 Ų | 191 | 84 Ų | 84 | 100% | 1.24 | 49% | 0.485 | S | S | * | . | trans | -70.1 | 0 | 176.3 | 29 | -33.1 | 0 | 0 | 0 | 112.7 | N45 | N45-P47 WeakPolarHBondContact O-CD 3.4Š|
Retrieved 47 of 47 residues in 217.5 ms
(Link to these results)