| 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 | 38.1 | Very low | 41.9 | Very low | 214 Ų | 214 | 152.3 Ų | 152.3 | 100% | 1.054 | 78% | 0.783 | S | S | * | * | 0 | 134.1 | 0 | -174.4 | 168 | 159.9 | 0 | 0 | 106.5 | |||||
| 2 | W | 38.4 | Very low | 42.3 | Very low | 215 Ų | 215 | 153.3 Ų | 153.3 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | 74.8 | 77.9 | -169.5 | -46.8 | 107 | 0 | 0 | 0 | 117 | ||||
| 3 | I | 40.8 | Very low | 42.4 | Very low | 149 Ų | 149 | 154.6 Ų | 154.6 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -161.9 | 146.5 | 136.7 | 31.2 | 177 | 0 | 0 | 0 | 108.4 | ||
| 4 | Y | 39.5 | Very low | 43.3 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 47% | 0.467 | 73% | 0.733 | S | S | . | * | trans | 73 | 52.7 | 178 | -52.5 | -65.8 | 0 | 0 | 0 | 118.4 | I6 | Y4-I6 HydrophobicContact CD1-CD1 4.04Å; Y4-I6 HydrophobicContact CD1-CG1 4.29Å | ||
| 5 | L | 40 | Very low | 44.5 | Very low | 161 Ų | 161 | 147.4 Ų | 147.4 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | trans | -86.3 | 95.2 | 143 | -110.1 | 162.9 | 0 | 0 | 0 | 107.5 | ||||
| 6 | I | 44 | Very low | 45.7 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 63% | 0.626 | 72% | 0.715 | S | S | * | * | trans | -96.8 | 122.3 | 172.3 | -61.1 | 177.4 | 0 | 0 | 0 | 107.7 | Y4 S8 | Y4-I6 HydrophobicContact CD1-CD1 4.04Å; Y4-I6 HydrophobicContact CD1-CG1 4.29Å; I6-S8 PolarHBondContact O-N 3.14Å | ||
| 7 | P | 56.1 | Low | 46.9 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 71% | 0.708 | 70% | 0.702 | S | S | * | * | trans | -82.4 | 122.2 | -172.5 | 31.2 | -33.6 | 0 | 0 | 0 | 112.9 | ||||
| 8 | S | 48.6 | Very low | 48.2 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 68% | 0.678 | S | S | * | * | trans | 50.3 | 99.4 | 144 | -56.8 | 0 | 0 | 0 | 0 | 120 | I6 | I6-S8 PolarHBondContact O-N 3.14Š| ||
| 9 | T | 36.5 | Very low | 49.3 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 83% | 0.834 | 67% | 0.665 | S | S | * | * | -153 | 126.3 | 128.8 | 8.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 10 | T | 39.8 | Very low | 50.1 | Low | 139 Ų | 139 | 133.8 Ų | 133.8 | 85% | 0.853 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 60 | 128.2 | 172.1 | 55.5 | 0 | 0 | 0 | 0 | 119 | ||
| 11 | F | 39.5 | Very low | 50.6 | Low | 200 Ų | 200 | 129.4 Ų | 129.4 | 88% | 0.877 | 65% | 0.645 | S | S | * | * | trans | 66 | 107.2 | 176.2 | -128.3 | -104.4 | 0 | 0 | 0 | 116.3 | ||||
| 12 | Q | 45.8 | Very low | 51.5 | Low | 164 Ų | 164 | 127.5 Ų | 127.5 | 77% | 0.766 | 63% | 0.633 | S | S | * | * | trans | -66.4 | -179.3 | 171.9 | -63.3 | 172.5 | -82.2 | 0 | 0 | 111.1 | ||||
| 13 | W | 44.1 | Very low | 52.2 | Low | 171 Ų | 171 | 127.8 Ų | 127.8 | 65% | 0.648 | 63% | 0.634 | S | S | * | * | trans | 89 | 83.3 | 175.9 | -51.8 | 98.9 | 0 | 0 | 0 | 114.7 | ||||
| 14 | Q | 54.6 | Low | 52.8 | Low | 50 Ų | 50 | 127.2 Ų | 127.2 | 23% | 0.234 | 64% | 0.64 | C | S | . | * | trans | 113.3 | 145.5 | 140.3 | -54.5 | 126.4 | 12.3 | 0 | 0 | 116.6 | C16 L34 Q35 | Q14-C16 PolarHBondContact O-N 2.72Å; Q14-L34 HydrophobicContact CB-CB 3.81Å; Q14-L34 HydrophobicContact CB-CG 4.26Å; Q14-L34 HydrophobicContact CG-CB 4.09Å; Q14-L34 HydrophobicContact CG-CG 4.06Å; Q14-Q35 VanDerWaalsContact OE1-CA 3.22Å; Q14-Q35 VanDerWaalsContact OE1-CG 3.26Å | ||
| 15 | E | 61.5 | Low | 53.7 | Low | 151 Ų | 151 | 127 Ų | 127 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | trans | -54.9 | 91.5 | 175.2 | -58.7 | -68.4 | 115.3 | 0 | 0 | 111 | ||||
| 16 | C | 63.3 | Low | 54.6 | Low | 69 Ų | 69 | 123.5 Ų | 123.5 | 47% | 0.466 | 63% | 0.629 | S | S | . | * | trans | -90.6 | 110.4 | 177.4 | -74.1 | 0 | 0 | 0 | 0 | 110.5 | Q14 R32 C33 | Q14-C16 PolarHBondContact O-N 2.72Å; C16-R32 CarbonylContact C-O 3.59Å; C16-R32 VanDerWaalsContact CA-O 3.28Å; C16-R32 WeakPolarHBondContact CA-O 3.29Å; C16-C33 HydrophobicContact CB-CB 4.27Å; C16-C33 WeakPolarHBondContact CB-SG 3.39Å; C16-C33 WeakPolarHBondContact SG-CB 3.42Å; C16-C33 CovalentContact SG-SG 2.04Å; C16-C33 PolarHBondContact SG-SG 2.84Å | ||
| 17 | Q | 67.6 | Low | 55.6 | Low | 108 Ų | 108 | 120.4 Ų | 120.4 | 51% | 0.505 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.7 | 121 | 173.9 | -67.4 | -178.3 | -8.4 | 0 | 0 | 110 | R32 | Q17-R32 PolarHBondContact N-O 2.9Å; Q17-R32 PolarHBondContact O-N 3.04Å |
| 18 | L | 70.1 | Confident | 56.1 | Low | 51 Ų | 51 | 116.1 Ų | 116.1 | 27% | 0.267 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 112 | 170.4 | -178.2 | 67.6 | 0 | 0 | 0 | 109.3 | F29 I31 | L18-F29 HydrophobicContact CD1-CB 4.16Å; L18-F29 HydrophobicContact CD1-CD2 3.77Å; L18-F29 HydrophobicContact CD1-CG 4.25Å; L18-I31 HydrophobicContact CD1-CG1 3.86Å |
| 19 | M | 69.3 | Low | 57.4 | Low | 85 Ų | 85 | 113.7 Ų | 113.7 | 42% | 0.419 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.2 | 109 | 175.5 | -58.2 | -173.7 | 77.6 | 0 | 0 | 109.1 | I30 | M19-I30 HydrophobicContact CB-CB 4.37Å; M19-I30 PolarHBondContact N-O 3.4Å; M19-I30 PolarHBondContact O-N 3.14Å |
| 20 | K | 65.3 | Low | 59.2 | Low | 152 Ų | 152 | 108.6 Ų | 108.6 | 66% | 0.661 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 127.8 | 172.6 | -62.3 | -171.7 | 177.7 | -167.7 | 0 | 109.3 | ||
| 21 | T | 60.4 | Low | 61.2 | Low | 42 Ų | 42 | 104.7 Ų | 104.7 | 26% | 0.258 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 106.2 | -178 | 59.3 | 0 | 0 | 0 | 0 | 110.5 | R23 T28 I30 | T21-R23 PolarHBondContact O-N 2.75Å; T21-T28 PolarHBondContact N-O 3.06Å; T21-T28 PolarHBondContact OG1-O 2.91Å; T21-I30 HydrophobicContact CG2-CD1 3.86Å; T21-I30 HydrophobicContact CG2-CG1 4.25Å |
| 22 | E | 57.2 | Low | 62.8 | Low | 173 Ų | 173 | 99.3 Ų | 99.3 | 81% | 0.808 | 48% | 0.475 | S | S | * | . | trans | -78.2 | 1.5 | -178 | -59.3 | -176.8 | 148.5 | 0 | 0 | 113.9 | ||||
| 23 | R | 51.5 | Low | 64.4 | Low | 222 Ų | 222 | 92.9 Ų | 92.9 | 84% | 0.838 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -142.8 | 144 | 178.9 | -62.5 | -177 | -176.8 | 154.2 | 3 | 109.4 | T21 | T21-R23 PolarHBondContact O-N 2.75Š|
| 24 | P | 54.2 | Low | 66 | Low | 137 Ų | 137 | 88.2 Ų | 88.2 | 89% | 0.89 | 44% | 0.436 | S | S | * | . | S | Bend | cis | -84.4 | -9.4 | 5.2 | 33.7 | -36.5 | 0 | 0 | 0 | 115 | ||
| 25 | K | 57.9 | Low | 66.7 | Low | 113 Ų | 113 | 90.7 Ų | 90.7 | 49% | 0.491 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -120.7 | 138.9 | 171.3 | -75.6 | -167.9 | 173.5 | -171.5 | 0 | 110.3 | T28 H45 | K25-T28 PolarHBondContact O-OG1 2.69Å; K25-T28 VanDerWaalsContact O-OG1 3.04Å; K25-H45 VanDerWaalsContact CD-CE1 3.41Å; K25-H45 WeakPolarHBondContact CD-CE1 2.97Å; K25-H45 VanDerWaalsContact CD-NE2 3.29Å; K25-H45 WeakPolarHBondContact CD-NE2 3.09Å; K25-H45 PolarHBondContact NZ-NE2 2.83Å |
| 26 | P | 59.4 | Low | 67.2 | Low | 88 Ų | 88 | 93 Ų | 93 | 57% | 0.571 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 162.7 | 164.5 | 28.2 | -34.2 | 0 | 0 | 0 | 110.4 | T28 | P26-T28 PolarHBondContact O-N 2.84Š|
| 27 | N | 63.9 | Low | 67.7 | Low | 57 Ų | 57 | 95.7 Ų | 95.7 | 31% | 0.305 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 28.5 | 178.5 | -50 | -14.8 | 0 | 0 | 0 | 114.4 | V46 D47 | N27-V46 WeakPolarHBondContact CB-O 3.39Å; N27-V46 PolarHBondContact O-N 2.92Å; N27-D47 PolarHBondContact ND2-O 2.71Å; N27-D47 VanDerWaalsContact ND2-O 3.1Å |
| 28 | T | 67.9 | Low | 67.9 | Low | 20 Ų | 20 | 95 Ų | 95 | 12% | 0.123 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.7 | 171.5 | -48.2 | 0 | 0 | 0 | 0 | 109.6 | T21 K25 P26 T43 F44 H45 | T21-T28 PolarHBondContact N-O 3.06Å; T21-T28 PolarHBondContact OG1-O 2.91Å; K25-T28 PolarHBondContact O-OG1 2.69Å; K25-T28 VanDerWaalsContact O-OG1 3.04Å; P26-T28 PolarHBondContact O-N 2.84Å; T28-T43 HydrophobicContact CG2-CG2 3.59Å; T28-F44 WeakPolarHBondContact CA-O 3.36Å; T28-F44 WeakPolarHBondContact CG2-O 3.08Å; T28-H45 PolarHBondContact OG1-ND1 3.1Å |
| 29 | F | 75.1 | Confident | 68.3 | Low | 60 Ų | 60 | 97.4 Ų | 97.4 | 26% | 0.263 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 143.9 | 172.9 | 64.2 | -97.9 | 0 | 0 | 0 | 111.4 | L18 I31 F44 V46 | L18-F29 HydrophobicContact CD1-CB 4.16Å; L18-F29 HydrophobicContact CD1-CD2 3.77Å; L18-F29 HydrophobicContact CD1-CG 4.25Å; F29-I31 HydrophobicContact CD2-CD1 4.32Å; F29-I31 HydrophobicContact CD2-CG1 3.99Å; F29-I31 HydrophobicContact CE2-CD1 3.92Å; F29-I31 HydrophobicContact CE2-CG1 4.09Å; F29-F44 HydrophobicContact CD1-CB 4.38Å; F29-F44 HydrophobicContact CD2-CB 3.9Å; F29-F44 AromaticContact CD2-CD2 4Å; F29-F44 HydrophobicContact CD2-CD2 4Å; F29-F44 HydrophobicContact CD2-CG 4.31Å; F29-F44 HydrophobicContact CE1-CB 4.03Å; F29-F44 HydrophobicContact CE2-CB 3.48Å; F29-F44 VanDerWaalsContact CE2-CB 3.48Å; F29-F44 AromaticContact CE2-CD2 3.53Å; F29-F44 HydrophobicContact CE2-CD2 3.53Å; F29-F44 HydrophobicContact CE2-CE2 4.45Å; F29-F44 AromaticContact CE2-CG 3.65Å; F29-F44 HydrophobicContact CE2-CG 3.65Å; F29-F44 HydrophobicContact CG-CB 4.33Å; F29-F44 HydrophobicContact CZ-CB 3.55Å; F29-F44 HydrophobicContact CZ-CD2 4.33Å; F29-F44 AromaticContact CZ-CG 3.99Å; F29-F44 HydrophobicContact CZ-CG 3.99Å; F29-F44 PolarHBondContact N-O 2.96Å; F29-F44 PolarHBondContact O-N 3.38Å; F29-F44 VanDerWaalsContact O-O 3.12Å; F29-V46 HydrophobicContact CD1-CG2 4.47Å; F29-V46 HydrophobicContact CE1-CG2 3.63Å; F29-V46 HydrophobicContact CZ-CG2 4.37Å |
| 30 | I | 75.4 | Confident | 68.8 | Low | 29 Ų | 29 | 95.9 Ų | 95.9 | 15% | 0.149 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 123 | -178.6 | -56.8 | 178.3 | 0 | 0 | 0 | 107.5 | M19 T21 E41 R42 T43 | M19-I30 HydrophobicContact CB-CB 4.37Å; M19-I30 PolarHBondContact N-O 3.4Å; M19-I30 PolarHBondContact O-N 3.14Å; T21-I30 HydrophobicContact CG2-CD1 3.86Å; T21-I30 HydrophobicContact CG2-CG1 4.25Å; I30-E41 HydrophobicContact CG2-CG 3.31Å; I30-R42 WeakPolarHBondContact CA-O 3.49Å; I30-T43 HydrophobicContact CG1-CG2 4.13Å |
| 31 | I | 81.4 | Confident | 69.5 | Low | 56 Ų | 56 | 93 Ų | 93 | 29% | 0.287 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 122 | 170.4 | -60.3 | -176.3 | 0 | 0 | 0 | 107.6 | L18 F29 C33 R42 F44 | L18-I31 HydrophobicContact CD1-CG1 3.86Å; F29-I31 HydrophobicContact CD2-CD1 4.32Å; F29-I31 HydrophobicContact CD2-CG1 3.99Å; F29-I31 HydrophobicContact CE2-CD1 3.92Å; F29-I31 HydrophobicContact CE2-CG1 4.09Å; I31-C33 WeakPolarHBondContact CG2-SG 3.41Å; I31-R42 PolarHBondContact N-O 3.04Å; I31-R42 PolarHBondContact O-N 3.23Å; I31-F44 HydrophobicContact CB-CE2 4.17Å; I31-F44 HydrophobicContact CD1-CD2 4.14Å; I31-F44 HydrophobicContact CD1-CE2 3.8Å; I31-F44 HydrophobicContact CG1-CD2 4.14Å; I31-F44 HydrophobicContact CG1-CE2 4.03Å |
| 32 | R | 73.4 | Confident | 70.3 | Confident | 87 Ų | 87 | 98.6 Ų | 98.6 | 33% | 0.328 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118.2 | 173.9 | -176.7 | -174.9 | -66.4 | 158.7 | -1.8 | 109.7 | C16 Q17 V39 I40 E41 | C16-R32 CarbonylContact C-O 3.59Å; C16-R32 VanDerWaalsContact CA-O 3.28Å; C16-R32 WeakPolarHBondContact CA-O 3.29Å; Q17-R32 PolarHBondContact N-O 2.9Å; Q17-R32 PolarHBondContact O-N 3.04Å; R32-V39 HydrophobicContact CG-CG1 3.68Å; R32-I40 CarbonylContact C-O 3.1Å; R32-I40 WeakPolarHBondContact CA-O 3.28Å; R32-E41 IonicContact CZ-OE2 3.18Å; R32-E41 IonicContact NE-OE2 2.83Å; R32-E41 PolarHBondContact NE-OE2 3.24Å; R32-E41 IonicContact NH2-OE2 2.69Å; R32-E41 PolarHBondContact NH2-OE2 2.95Å |
| 33 | C | 79.1 | Confident | 71.3 | Confident | 29 Ų | 29 | 94.6 Ų | 94.6 | 20% | 0.196 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 161.4 | -178.2 | -61 | 0 | 0 | 0 | 0 | 111.8 | C16 I31 Q35 I40 | C16-C33 HydrophobicContact CB-CB 4.27Å; C16-C33 WeakPolarHBondContact CB-SG 3.39Å; C16-C33 WeakPolarHBondContact SG-CB 3.42Å; C16-C33 CovalentContact SG-SG 2.04Å; C16-C33 PolarHBondContact SG-SG 2.84Å; I31-C33 WeakPolarHBondContact CG2-SG 3.41Å; C33-Q35 PolarHBondContact O-N 2.87Å; C33-I40 PolarHBondContact N-O 3.04Å; C33-I40 PolarHBondContact O-N 2.04Å |
| 34 | L | 78.4 | Confident | 72.3 | Confident | 73 Ų | 73 | 88.4 Ų | 88.4 | 38% | 0.382 | 45% | 0.449 | S | S | . | . | trans | -18.2 | -88.9 | -173.7 | 160.8 | 70.3 | 0 | 0 | 0 | 115.2 | Q14 T38 V39 | Q14-L34 HydrophobicContact CB-CB 3.81Å; Q14-L34 HydrophobicContact CB-CG 4.26Å; Q14-L34 HydrophobicContact CG-CB 4.09Å; Q14-L34 HydrophobicContact CG-CG 4.06Å; L34-T38 CarbonylContact C-O 3.28Å; L34-T38 VanDerWaalsContact C-O 3.28Å; L34-T38 CarbonylContact O-C 3.49Å; L34-V39 WeakPolarHBondContact O-CA 3.42Å; L34-V39 PolarHBondContact O-N 2.87Å; L34-V39 VanDerWaalsContact O-N 3.14Å | ||
| 35 | Q | 68.1 | Low | 73.3 | Confident | 103 Ų | 103 | 85.4 Ų | 85.4 | 48% | 0.481 | 42% | 0.423 | S | S | . | . | cis | -101.6 | 126.1 | -25.7 | -168.2 | -167.6 | 46 | 0 | 0 | 109.5 | Q14 C33 T37 T38 I40 | Q14-Q35 VanDerWaalsContact OE1-CA 3.22Å; Q14-Q35 VanDerWaalsContact OE1-CG 3.26Å; C33-Q35 PolarHBondContact O-N 2.87Å; Q35-T37 PolarHBondContact O-N 2.83Å; Q35-T38 PolarHBondContact N-O 2.81Å; Q35-T38 PolarHBondContact O-N 2.81Å; Q35-I40 HydrophobicContact CB-CD1 3.53Å; Q35-I40 HydrophobicContact CB-CG1 3.89Å; Q35-I40 HydrophobicContact CG-CD1 4.29Å | ||
| 36 | W | 72 | Confident | 73.9 | Confident | 198 Ų | 198 | 81.5 Ų | 81.5 | 75% | 0.75 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | -71.6 | -163.4 | -71.1 | 86.9 | 0 | 0 | 0 | 113.1 | ||
| 37 | T | 74.6 | Confident | 74.2 | Confident | 127 Ų | 127 | 83.8 Ų | 83.8 | 78% | 0.779 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.6 | -2.3 | 175.2 | 54.5 | 0 | 0 | 0 | 0 | 113.6 | Q35 | Q35-T37 PolarHBondContact O-N 2.83Š|
| 38 | T | 71.7 | Confident | 74.2 | Confident | 93 Ų | 93 | 83.5 Ų | 83.5 | 57% | 0.571 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -115.6 | 107.6 | -168.8 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | L34 Q35 I40 | L34-T38 CarbonylContact C-O 3.28Å; L34-T38 VanDerWaalsContact C-O 3.28Å; L34-T38 CarbonylContact O-C 3.49Å; Q35-T38 PolarHBondContact N-O 2.81Å; Q35-T38 PolarHBondContact O-N 2.81Å; T38-I40 WeakPolarHBondContact O-CG1 3.49Å; T38-I40 PolarHBondContact O-N 2.97Å |
| 39 | V | 78.3 | Confident | 73.8 | Confident | 101 Ų | 101 | 87.2 Ų | 87.2 | 61% | 0.612 | 44% | 0.441 | S | S | * | . | trans | -54.6 | 114.2 | 179.3 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | R32 L34 | R32-V39 HydrophobicContact CG-CG1 3.68Å; L34-V39 WeakPolarHBondContact O-CA 3.42Å; L34-V39 PolarHBondContact O-N 2.87Å; L34-V39 VanDerWaalsContact O-N 3.14Å | ||
| 40 | I | 80.1 | Confident | 73.3 | Confident | 54 Ų | 54 | 93 Ų | 93 | 28% | 0.277 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 119.7 | 174.1 | -57.5 | -170.8 | 0 | 0 | 0 | 108.3 | R32 C33 Q35 T38 R42 | R32-I40 CarbonylContact C-O 3.1Å; R32-I40 WeakPolarHBondContact CA-O 3.28Å; C33-I40 PolarHBondContact N-O 3.04Å; C33-I40 PolarHBondContact O-N 2.04Å; Q35-I40 HydrophobicContact CB-CD1 3.53Å; Q35-I40 HydrophobicContact CB-CG1 3.89Å; Q35-I40 HydrophobicContact CG-CD1 4.29Å; T38-I40 WeakPolarHBondContact O-CG1 3.49Å; T38-I40 PolarHBondContact O-N 2.97Å; I40-R42 HydrophobicContact CG2-CG 4.09Å |
| 41 | E | 80.1 | Confident | 72.2 | Confident | 90 Ų | 90 | 100.5 Ų | 100.5 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129.4 | 172.1 | -168.5 | 162.8 | 105.4 | 0 | 0 | 109.8 | I30 R32 | I30-E41 HydrophobicContact CG2-CG 3.31Å; R32-E41 IonicContact CZ-OE2 3.18Å; R32-E41 IonicContact NE-OE2 2.83Å; R32-E41 PolarHBondContact NE-OE2 3.24Å; R32-E41 IonicContact NH2-OE2 2.69Å; R32-E41 PolarHBondContact NH2-OE2 2.95Å |
| 42 | R | 77.4 | Confident | 71.7 | Confident | 161 Ų | 161 | 102.7 Ų | 102.7 | 61% | 0.608 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 112.5 | 177.6 | -65.8 | -63.1 | -176.7 | 146.3 | -0.7 | 109.1 | I30 I31 I40 F44 | I30-R42 WeakPolarHBondContact CA-O 3.49Å; I31-R42 PolarHBondContact N-O 3.04Å; I31-R42 PolarHBondContact O-N 3.23Å; I40-R42 HydrophobicContact CG2-CG 4.09Å; R42-F44 HydrophobicContact CB-CD2 4.29Å; R42-F44 HydrophobicContact CB-CE2 3.5Å; R42-F44 VanDerWaalsContact CB-CE2 3.5Å; R42-F44 HydrophobicContact CB-CZ 3.93Å; R42-F44 WeakPolarHBondContact O-CD2 3.07Å |
| 43 | T | 77.4 | Confident | 71.6 | Confident | 89 Ų | 89 | 103.5 Ų | 103.5 | 55% | 0.546 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 124.3 | 170.7 | -53.9 | 0 | 0 | 0 | 0 | 109.2 | T28 I30 | T28-T43 HydrophobicContact CG2-CG2 3.59Å; I30-T43 HydrophobicContact CG1-CG2 4.13Å |
| 44 | F | 73.5 | Confident | 71.2 | Confident | 91 Ų | 91 | 107.7 Ų | 107.7 | 40% | 0.399 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 138.2 | 170.9 | -62.2 | -89.7 | 0 | 0 | 0 | 108.5 | T28 F29 I31 R42 | T28-F44 WeakPolarHBondContact CA-O 3.36Å; T28-F44 WeakPolarHBondContact CG2-O 3.08Å; F29-F44 HydrophobicContact CD1-CB 4.38Å; F29-F44 HydrophobicContact CD2-CB 3.9Å; F29-F44 AromaticContact CD2-CD2 4Å; F29-F44 HydrophobicContact CD2-CD2 4Å; F29-F44 HydrophobicContact CD2-CG 4.31Å; F29-F44 HydrophobicContact CE1-CB 4.03Å; F29-F44 HydrophobicContact CE2-CB 3.48Å; F29-F44 VanDerWaalsContact CE2-CB 3.48Å; F29-F44 AromaticContact CE2-CD2 3.53Å; F29-F44 HydrophobicContact CE2-CD2 3.53Å; F29-F44 HydrophobicContact CE2-CE2 4.45Å; F29-F44 AromaticContact CE2-CG 3.65Å; F29-F44 HydrophobicContact CE2-CG 3.65Å; F29-F44 HydrophobicContact CG-CB 4.33Å; F29-F44 HydrophobicContact CZ-CB 3.55Å; F29-F44 HydrophobicContact CZ-CD2 4.33Å; F29-F44 AromaticContact CZ-CG 3.99Å; F29-F44 HydrophobicContact CZ-CG 3.99Å; F29-F44 PolarHBondContact N-O 2.96Å; F29-F44 PolarHBondContact O-N 3.38Å; F29-F44 VanDerWaalsContact O-O 3.12Å; I31-F44 HydrophobicContact CB-CE2 4.17Å; I31-F44 HydrophobicContact CD1-CD2 4.14Å; I31-F44 HydrophobicContact CD1-CE2 3.8Å; I31-F44 HydrophobicContact CG1-CD2 4.14Å; I31-F44 HydrophobicContact CG1-CE2 4.03Å; R42-F44 HydrophobicContact CB-CD2 4.29Å; R42-F44 HydrophobicContact CB-CE2 3.5Å; R42-F44 VanDerWaalsContact CB-CE2 3.5Å; R42-F44 HydrophobicContact CB-CZ 3.93Å; R42-F44 WeakPolarHBondContact O-CD2 3.07Å |
| 45 | H | 74.1 | Confident | 70.8 | Confident | 75 Ų | 75 | 109.7 Ų | 109.7 | 35% | 0.347 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122 | 123.9 | 170.6 | 179 | 49.6 | 0 | 0 | 0 | 106.2 | K25 T28 | K25-H45 VanDerWaalsContact CD-CE1 3.41Å; K25-H45 WeakPolarHBondContact CD-CE1 2.97Å; K25-H45 VanDerWaalsContact CD-NE2 3.29Å; K25-H45 WeakPolarHBondContact CD-NE2 3.09Å; K25-H45 PolarHBondContact NZ-NE2 2.83Å; T28-H45 PolarHBondContact OG1-ND1 3.1Å |
| 46 | V | 70.7 | Confident | 70.9 | Confident | 30 Ų | 30 | 110.1 Ų | 110.1 | 18% | 0.182 | 56% | 0.556 | C | S | . | * | trans | -111.2 | 137.3 | 174.5 | -168 | 0 | 0 | 0 | 0 | 106.6 | N27 F29 T48 E51 | N27-V46 WeakPolarHBondContact CB-O 3.39Å; N27-V46 PolarHBondContact O-N 2.92Å; F29-V46 HydrophobicContact CD1-CG2 4.47Å; F29-V46 HydrophobicContact CE1-CG2 3.63Å; F29-V46 HydrophobicContact CZ-CG2 4.37Å; V46-T48 VanDerWaalsContact C-N 3.32Å; V46-T48 WeakPolarHBondContact CB-O 3.12Å; V46-T48 WeakPolarHBondContact CG1-O 3.5Å; V46-E51 HydrophobicContact CG1-CB 3.74Å | ||
| 47 | D | 66.6 | Low | 70.9 | Confident | 136 Ų | 136 | 104.3 Ų | 104.3 | 73% | 0.727 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -72.4 | -29.9 | -179.8 | -77 | -79.1 | 0 | 0 | 0 | 111.5 | N27 | N27-D47 PolarHBondContact ND2-O 2.71Å; N27-D47 VanDerWaalsContact ND2-O 3.1Å |
| 48 | T | 62.7 | Low | 70.6 | Confident | 52 Ų | 52 | 102.6 Ų | 102.6 | 32% | 0.319 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -113.3 | 154.5 | 176.3 | 72.2 | 0 | 0 | 0 | 0 | 112.1 | V46 E50 E51 | V46-T48 VanDerWaalsContact C-N 3.32Å; V46-T48 WeakPolarHBondContact CB-O 3.12Å; V46-T48 WeakPolarHBondContact CG1-O 3.5Å; T48-E50 PolarHBondContact O-N 3.49Å; T48-E51 WeakPolarHBondContact CG2-OE2 3.48Å; T48-E51 WeakPolarHBondContact OG1-CB 3.47Å; T48-E51 VanDerWaalsContact OG1-CG 3.32Å; T48-E51 WeakPolarHBondContact OG1-CG 3.32Å; T48-E51 PolarHBondContact OG1-N 3.5Å; T48-E51 PolarHBondContact OG1-OE2 3.44Å |
| 49 | P | 60.8 | Low | 70.5 | Confident | 98 Ų | 98 | 103.4 Ų | 103.4 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -84.4 | 4.2 | 175.3 | 34.7 | -34.6 | 0 | 0 | 0 | 113.6 | ||
| 50 | E | 63.7 | Low | 69.9 | Low | 182 Ų | 182 | 103.6 Ų | 103.6 | 85% | 0.85 | 52% | 0.515 | S | S | * | . | trans | -116.8 | -5.6 | -169.2 | -72.3 | 159.6 | -168.1 | 0 | 0 | 113 | T48 | T48-E50 PolarHBondContact O-N 3.49Š| ||
| 51 | E | 51.2 | Low | 68.9 | Low | 185 Ų | 185 | 108.1 Ų | 108.1 | 86% | 0.864 | 54% | 0.536 | S | S | * | . | trans | -97 | 0 | 170.5 | -74.9 | 173.2 | 104.6 | 0 | 0 | 112.8 | V46 T48 | V46-E51 HydrophobicContact CG1-CB 3.74Å; T48-E51 WeakPolarHBondContact CG2-OE2 3.48Å; T48-E51 WeakPolarHBondContact OG1-CB 3.47Å; T48-E51 VanDerWaalsContact OG1-CG 3.32Å; T48-E51 WeakPolarHBondContact OG1-CG 3.32Å; T48-E51 PolarHBondContact OG1-N 3.5Å; T48-E51 PolarHBondContact OG1-OE2 3.44Å |
Retrieved 51 of 51 residues in 42.3 ms
(Link to these results)