| 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 | 75.1 | Confident | 90.9 | Very high | 197 Ų | 197 | 133.1 Ų | 133.1 | 97% | 0.97 | 68% | 0.68 | S | S | * | * | 0 | 117.2 | 0 | -154.6 | 132.3 | 79.6 | 0 | 0 | 105.6 | S3 E4 | M1-S3 PolarHBondContact O-N 3.09Å; M1-S3 VanDerWaalsContact O-N 3.14Å; M1-E4 PolarHBondContact O-N 2.91Å | |||
| 2 | D | 86.5 | Confident | 91.2 | Very high | 175 Ų | 175 | 130.6 Ų | 130.6 | 94% | 0.936 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -4.5 | -166.6 | -53.8 | -27.7 | 0 | 0 | 0 | 113.4 | E4 | D2-E4 VanDerWaalsContact C-N 3.33Š|
| 3 | S | 92.6 | Very high | 91.5 | Very high | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -15 | 174.8 | 58.1 | 0 | 0 | 0 | 0 | 114.1 | M1 | M1-S3 PolarHBondContact O-N 3.09Å; M1-S3 VanDerWaalsContact O-N 3.14Å |
| 4 | E | 91.6 | Very high | 92 | Very high | 124 Ų | 124 | 130.8 Ų | 130.8 | 58% | 0.579 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -115.1 | 123.4 | -178.8 | -173.6 | 157.9 | -154 | 0 | 0 | 111.9 | M1 D2 Q6 | M1-E4 PolarHBondContact O-N 2.91Å; D2-E4 VanDerWaalsContact C-N 3.33Å; E4-Q6 PolarHBondContact O-N 3.09Å |
| 5 | V | 91.8 | Very high | 92.2 | Very high | 106 Ų | 106 | 125.9 Ų | 125.9 | 64% | 0.642 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 125.5 | 175.4 | 65.9 | 0 | 0 | 0 | 0 | 110.1 | R7 | V5-R7 PolarHBondContact O-N 3.47Š|
| 6 | Q | 91.8 | Very high | 92.5 | Very high | 166 Ų | 166 | 124.1 Ų | 124.1 | 78% | 0.776 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 122.6 | 171.3 | -62.5 | -61.9 | -56.5 | 0 | 0 | 108.9 | E4 | E4-Q6 PolarHBondContact O-N 3.09Š|
| 7 | R | 90.5 | Very high | 92.8 | Very high | 164 Ų | 164 | 124.2 Ų | 124.2 | 62% | 0.619 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 143.4 | 176.3 | -64.5 | 178 | 177.5 | 84.1 | -2 | 109.6 | V5 G9 L12 | V5-R7 PolarHBondContact O-N 3.47Å; R7-G9 PolarHBondContact O-N 3.15Å; R7-L12 HydrophobicContact CB-CD1 4.07Å |
| 8 | D | 95.4 | Very high | 93.1 | Very high | 100 Ų | 100 | 121.2 Ų | 121.2 | 54% | 0.535 | 64% | 0.638 | S | S | . | * | trans | -72.8 | 113.2 | 175 | -173.7 | -16.8 | 0 | 0 | 0 | 110.1 | R10 I11 L12 | D8-R10 PolarHBondContact O-N 3.35Å; D8-R10 WeakPolarHBondContact OD1-CB 3.09Å; D8-R10 PolarHBondContact OD1-N 3.39Å; D8-I11 HydrophobicContact CB-CB 4.17Å; D8-I11 HydrophobicContact CB-CG1 3.79Å; D8-I11 PolarHBondContact O-N 3.29Å; D8-I11 VanDerWaalsContact O-N 3.12Å; D8-L12 PolarHBondContact O-N 3.04Å; D8-L12 VanDerWaalsContact O-N 3.16Å | ||
| 9 | G | 93.6 | Very high | 93.3 | Very high | 51 Ų | 51 | 123.7 Ų | 123.7 | 53% | 0.526 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -61.1 | -30.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R7 I11 L12 D13 | R7-G9 PolarHBondContact O-N 3.15Å; G9-I11 VanDerWaalsContact C-N 3.34Å; G9-L12 PolarHBondContact O-N 3.09Å; G9-D13 PolarHBondContact O-N 3.03Å; G9-D13 VanDerWaalsContact O-N 3.12Å |
| 10 | R | 95.9 | Very high | 93.4 | Very high | 190 Ų | 190 | 126.4 Ų | 126.4 | 72% | 0.717 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.2 | -36.7 | 176 | -179.6 | -179.8 | 176.3 | -178.9 | -1.1 | 111.4 | D8 D13 L14 | D8-R10 PolarHBondContact O-N 3.35Å; D8-R10 WeakPolarHBondContact OD1-CB 3.09Å; D8-R10 PolarHBondContact OD1-N 3.39Å; R10-D13 PolarHBondContact O-N 3.04Å; R10-L14 HydrophobicContact CG-CD1 4.23Å; R10-L14 WeakPolarHBondContact O-CG 3.41Å; R10-L14 PolarHBondContact O-N 3.48Å |
| 11 | I | 95.5 | Very high | 93.6 | Very high | 85 Ų | 85 | 126.6 Ų | 126.6 | 44% | 0.436 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -69.3 | -39.2 | 177.4 | -60 | -60.8 | 0 | 0 | 0 | 110.1 | D8 G9 D13 L14 I15 | D8-I11 HydrophobicContact CB-CB 4.17Å; D8-I11 HydrophobicContact CB-CG1 3.79Å; D8-I11 PolarHBondContact O-N 3.29Å; D8-I11 VanDerWaalsContact O-N 3.12Å; G9-I11 VanDerWaalsContact C-N 3.34Å; I11-D13 VanDerWaalsContact C-N 3.29Å; I11-D13 PolarHBondContact O-N 3.44Å; I11-L14 PolarHBondContact O-N 3.46Å; I11-I15 HydrophobicContact CG2-CD1 3.56Å; I11-I15 HydrophobicContact CG2-CG1 4.34Å; I11-I15 WeakPolarHBondContact O-CG1 3.23Å; I11-I15 PolarHBondContact O-N 2.89Å |
| 12 | L | 94 | Very high | 94.7 | Very high | 103 Ų | 103 | 122.5 Ų | 122.5 | 54% | 0.539 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.8 | -30.6 | 175.9 | -66.2 | 179.7 | 0 | 0 | 0 | 113.5 | R7 D8 G9 | R7-L12 HydrophobicContact CB-CD1 4.07Å; D8-L12 PolarHBondContact O-N 3.04Å; D8-L12 VanDerWaalsContact O-N 3.16Å; G9-L12 PolarHBondContact O-N 3.09Å |
| 13 | D | 95.8 | Very high | 95.2 | Very high | 149 Ų | 149 | 122.5 Ų | 122.5 | 80% | 0.797 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -78.9 | -22.4 | 177.9 | -164.9 | 46.6 | 0 | 0 | 0 | 112.9 | G9 R10 I11 | G9-D13 PolarHBondContact O-N 3.03Å; G9-D13 VanDerWaalsContact O-N 3.12Å; R10-D13 PolarHBondContact O-N 3.04Å; I11-D13 VanDerWaalsContact C-N 3.29Å; I11-D13 PolarHBondContact O-N 3.44Å |
| 14 | L | 97.4 | Very high | 95.4 | Very high | 115 Ų | 115 | 124.8 Ų | 124.8 | 60% | 0.602 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -87.5 | -28.1 | 179.6 | -74.3 | 170.5 | 0 | 0 | 0 | 113.7 | R10 I11 | R10-L14 HydrophobicContact CG-CD1 4.23Å; R10-L14 WeakPolarHBondContact O-CG 3.41Å; R10-L14 PolarHBondContact O-N 3.48Å; I11-L14 PolarHBondContact O-N 3.46Å |
| 15 | I | 96 | Very high | 95.7 | Very high | 58 Ų | 58 | 123.3 Ų | 123.3 | 30% | 0.297 | 62% | 0.616 | S | S | . | * | trans | -88.7 | 118.5 | -176.8 | -61.3 | 168.6 | 0 | 0 | 0 | 108.8 | I11 W19 R20 | I11-I15 HydrophobicContact CG2-CD1 3.56Å; I11-I15 HydrophobicContact CG2-CG1 4.34Å; I11-I15 WeakPolarHBondContact O-CG1 3.23Å; I11-I15 PolarHBondContact O-N 2.89Å; I15-W19 HydrophobicContact CB-CE3 4.14Å; I15-W19 HydrophobicContact CG1-CE3 3.78Å; I15-W19 HydrophobicContact CG1-CH2 4.4Å; I15-W19 HydrophobicContact CG1-CZ3 3.69Å; I15-W19 HydrophobicContact CG2-CB 4.28Å; I15-W19 HydrophobicContact CG2-CD2 4.26Å; I15-W19 HydrophobicContact CG2-CE3 3.99Å; I15-W19 HydrophobicContact CG2-CG 4.42Å; I15-R20 HydrophobicContact CG2-CB 4.02Å | ||
| 16 | D | 96.8 | Very high | 95.9 | Very high | 96 Ų | 96 | 129.4 Ų | 129.4 | 51% | 0.513 | 63% | 0.63 | S | S | . | * | trans | -80.7 | 167.1 | 172.5 | 68.9 | 4.8 | 0 | 0 | 0 | 112.2 | A18 W19 R20 | D16-A18 PolarHBondContact O-N 2.99Å; D16-A18 PolarHBondContact OD1-N 3.48Å; D16-W19 PolarHBondContact O-N 3.21Å; D16-W19 WeakPolarHBondContact OD1-CB 3.47Å; D16-W19 PolarHBondContact OD1-N 3.3Å; D16-R20 WeakPolarHBondContact O-CB 3.44Å; D16-R20 PolarHBondContact O-N 3.5Å | ||
| 17 | D | 97.1 | Very high | 96.1 | Very high | 126 Ų | 126 | 129.2 Ų | 129.2 | 67% | 0.674 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.3 | -29.2 | -178.8 | -68.4 | -31.3 | 0 | 0 | 0 | 112.1 | E21 | D17-E21 WeakPolarHBondContact O-CG 3.42Å; D17-E21 PolarHBondContact O-N 3.48Å |
| 18 | A | 97.6 | Very high | 96.4 | Very high | 71 Ų | 71 | 129 Ų | 129 | 59% | 0.587 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.1 | -48.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D16 R20 E21 D22 | D16-A18 PolarHBondContact O-N 2.99Å; D16-A18 PolarHBondContact OD1-N 3.48Å; A18-R20 VanDerWaalsContact C-N 3.34Å; A18-E21 PolarHBondContact O-N 3.42Å; A18-D22 PolarHBondContact O-N 3.03Å; A18-D22 VanDerWaalsContact O-N 3.11Å |
| 19 | W | 96.9 | Very high | 96.3 | Very high | 169 Ų | 169 | 129.8 Ų | 129.8 | 64% | 0.64 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.9 | -35.3 | 177.5 | -175.6 | 19.7 | 0 | 0 | 0 | 111.9 | I15 D16 E21 D22 | I15-W19 HydrophobicContact CB-CE3 4.14Å; I15-W19 HydrophobicContact CG1-CE3 3.78Å; I15-W19 HydrophobicContact CG1-CH2 4.4Å; I15-W19 HydrophobicContact CG1-CZ3 3.69Å; I15-W19 HydrophobicContact CG2-CB 4.28Å; I15-W19 HydrophobicContact CG2-CD2 4.26Å; I15-W19 HydrophobicContact CG2-CE3 3.99Å; I15-W19 HydrophobicContact CG2-CG 4.42Å; D16-W19 PolarHBondContact O-N 3.21Å; D16-W19 WeakPolarHBondContact OD1-CB 3.47Å; D16-W19 PolarHBondContact OD1-N 3.3Å; W19-E21 VanDerWaalsContact C-N 3.29Å; W19-E21 PolarHBondContact O-N 3.26Å; W19-D22 WeakPolarHBondContact O-CB 3.38Å; W19-D22 PolarHBondContact O-N 3.37Å |
| 20 | R | 95.8 | Very high | 96.5 | Very high | 177 Ų | 177 | 132 Ų | 132 | 67% | 0.668 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -61.4 | -37.2 | 177.4 | -175.7 | 175.8 | 177.9 | -179.2 | -1.9 | 113.1 | I15 D16 A18 | I15-R20 HydrophobicContact CG2-CB 4.02Å; D16-R20 WeakPolarHBondContact O-CB 3.44Å; D16-R20 PolarHBondContact O-N 3.5Å; A18-R20 VanDerWaalsContact C-N 3.34Å |
| 21 | E | 97.8 | Very high | 96.4 | Very high | 131 Ų | 131 | 127.3 Ų | 127.3 | 61% | 0.612 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -94.9 | -3.6 | -178.6 | -61.1 | -58.2 | 141.7 | 0 | 0 | 113.3 | D17 A18 W19 | D17-E21 WeakPolarHBondContact O-CG 3.42Å; D17-E21 PolarHBondContact O-N 3.48Å; A18-E21 PolarHBondContact O-N 3.42Å; W19-E21 VanDerWaalsContact C-N 3.29Å; W19-E21 PolarHBondContact O-N 3.26Å |
| 22 | D | 97.5 | Very high | 96.4 | Very high | 111 Ų | 111 | 127.2 Ų | 127.2 | 59% | 0.594 | 66% | 0.655 | S | S | * | * | trans | -64.1 | 140 | -179.1 | -171.8 | 48.9 | 0 | 0 | 0 | 111.9 | A18 W19 | A18-D22 PolarHBondContact O-N 3.03Å; A18-D22 VanDerWaalsContact O-N 3.11Å; W19-D22 WeakPolarHBondContact O-CB 3.38Å; W19-D22 PolarHBondContact O-N 3.37Å | ||
| 23 | K | 97.6 | Very high | 96.2 | Very high | 174 Ų | 174 | 128.1 Ų | 128.1 | 76% | 0.757 | 66% | 0.659 | S | S | * | * | trans | -135 | 130.4 | 179.6 | -65.5 | -178.5 | -174.3 | 179.1 | 0 | 109.1 | ||||
| 24 | L | 96.8 | Very high | 96.1 | Very high | 155 Ų | 155 | 125.8 Ų | 125.8 | 81% | 0.812 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 143.5 | 172.5 | -65.5 | 176.5 | 0 | 0 | 0 | 110.4 | ||
| 25 | P | 97.1 | Very high | 95.8 | Very high | 93 Ų | 93 | 124.9 Ų | 124.9 | 60% | 0.604 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -66 | 161.1 | 174.1 | 29.5 | -35 | 0 | 0 | 0 | 111.2 | ||
| 26 | Y | 96.5 | Very high | 95.6 | Very high | 234 Ų | 234 | 125.9 Ų | 125.9 | 92% | 0.918 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 121.2 | 166.8 | -67.3 | -78.3 | 0 | 0 | 0 | 108.7 | ||
| 27 | E | 96.6 | Very high | 95.3 | Very high | 162 Ų | 162 | 124.6 Ų | 124.6 | 76% | 0.757 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 144.3 | 173.5 | -70.2 | -66.4 | 159.7 | 0 | 0 | 110.2 | ||
| 28 | D | 96.4 | Very high | 94.8 | Very high | 160 Ų | 160 | 122.9 Ų | 122.9 | 86% | 0.856 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 149.3 | 177.3 | -69.9 | -36.1 | 0 | 0 | 0 | 111.5 | ||
| 29 | V | 94.6 | Very high | 93.9 | Very high | 116 Ų | 116 | 125.1 Ų | 125.1 | 70% | 0.703 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 134.6 | 174.1 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | I31 | V29-I31 HydrophobicContact CB-CD1 4.01Å; V29-I31 HydrophobicContact CG1-CD1 3.89Å; V29-I31 WeakPolarHBondContact O-CG1 2.93Å; V29-I31 PolarHBondContact O-N 3.11Å; V29-I31 VanDerWaalsContact O-N 3.11Å |
| 30 | A | 96.1 | Very high | 92.6 | Very high | 98 Ų | 98 | 125 Ų | 125 | 81% | 0.81 | 65% | 0.645 | S | S | * | * | trans | -68.2 | 108.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 31 | I | 94.4 | Very high | 91.2 | Very high | 90 Ų | 90 | 120 Ų | 120 | 46% | 0.462 | 63% | 0.629 | S | S | . | * | trans | -97.5 | 131.5 | -178.5 | -52.5 | -56.7 | 0 | 0 | 0 | 110.5 | V29 L33 L36 | V29-I31 HydrophobicContact CB-CD1 4.01Å; V29-I31 HydrophobicContact CG1-CD1 3.89Å; V29-I31 WeakPolarHBondContact O-CG1 2.93Å; V29-I31 PolarHBondContact O-N 3.11Å; V29-I31 VanDerWaalsContact O-N 3.11Å; I31-L33 VanDerWaalsContact C-N 3.35Å; I31-L33 PolarHBondContact O-N 3.06Å; I31-L36 HydrophobicContact CG2-CD1 3.68Å; I31-L36 HydrophobicContact CG2-CD2 4.39Å; I31-L36 HydrophobicContact CG2-CG 4.12Å | ||
| 32 | P | 94.9 | Very high | 89.3 | Confident | 84 Ų | 84 | 121.6 Ų | 121.6 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | trans | -73.8 | 88.5 | 172.1 | 31.2 | -34.3 | 0 | 0 | 0 | 109.9 | N34 E35 | P32-N34 PolarHBondContact O-N 2.8Å; P32-N34 VanDerWaalsContact O-N 3.08Å; P32-E35 HydrophobicContact CB-CB 4.43Å; P32-E35 HydrophobicContact CB-CG 4Å; P32-E35 HydrophobicContact CG-CB 4.26Å; P32-E35 HydrophobicContact CG-CG 4.13Å; P32-E35 WeakPolarHBondContact O-CB 3.38Å; P32-E35 PolarHBondContact O-N 2.95Å | ||
| 33 | L | 91.4 | Very high | 87.3 | Confident | 121 Ų | 121 | 124.1 Ų | 124.1 | 63% | 0.634 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -54.5 | -32 | -174.7 | -63.8 | 177.7 | 0 | 0 | 0 | 113.5 | I31 E35 L36 | I31-L33 VanDerWaalsContact C-N 3.35Å; I31-L33 PolarHBondContact O-N 3.06Å; L33-E35 PolarHBondContact O-N 3.24Å; L33-L36 HydrophobicContact CD2-CD1 4.19Å; L33-L36 WeakPolarHBondContact O-CB 3.39Å; L33-L36 PolarHBondContact O-N 2.57Å |
| 34 | N | 92.2 | Very high | 85.3 | Confident | 100 Ų | 100 | 119.5 Ų | 119.5 | 54% | 0.535 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -66.5 | -20.6 | 179.1 | -60.8 | 13.2 | 0 | 0 | 0 | 113.5 | P32 L36 S49 V50 K51 | P32-N34 PolarHBondContact O-N 2.8Å; P32-N34 VanDerWaalsContact O-N 3.08Å; N34-L36 VanDerWaalsContact C-N 3.34Å; N34-S49 WeakPolarHBondContact O-CB 3.43Å; N34-V50 PolarHBondContact O-N 2.85Å; N34-K51 HydrophobicContact CB-CB 4.25Å; N34-K51 WeakPolarHBondContact O-CB 3.36Å; N34-K51 PolarHBondContact O-N 3.11Å |
| 35 | E | 92.6 | Very high | 83.4 | Confident | 96 Ų | 96 | 113.8 Ų | 113.8 | 45% | 0.449 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -89.8 | -3.2 | 176 | -56.7 | -70.2 | 165.7 | 0 | 0 | 111.4 | P32 L33 S49 K51 | P32-E35 HydrophobicContact CB-CB 4.43Å; P32-E35 HydrophobicContact CB-CG 4Å; P32-E35 HydrophobicContact CG-CB 4.26Å; P32-E35 HydrophobicContact CG-CG 4.13Å; P32-E35 WeakPolarHBondContact O-CB 3.38Å; P32-E35 PolarHBondContact O-N 2.95Å; L33-E35 PolarHBondContact O-N 3.24Å; E35-S49 VanDerWaalsContact C-CB 3.42Å; E35-S49 WeakPolarHBondContact O-CB 3.45Å; E35-K51 WeakPolarHBondContact OE1-CD 3.45Å; E35-K51 IonicContact OE1-NZ 2.8Å; E35-K51 PolarHBondContact OE1-NZ 2.82Å |
| 36 | L | 91.1 | Very high | 81.8 | Confident | 79 Ų | 79 | 113 Ų | 113 | 41% | 0.414 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -95.3 | 153 | 174.8 | -60.1 | -173.9 | 0 | 0 | 0 | 111.2 | I31 L33 N34 S49 V50 | I31-L36 HydrophobicContact CG2-CD1 3.68Å; I31-L36 HydrophobicContact CG2-CD2 4.39Å; I31-L36 HydrophobicContact CG2-CG 4.12Å; L33-L36 HydrophobicContact CD2-CD1 4.19Å; L33-L36 WeakPolarHBondContact O-CB 3.39Å; L33-L36 PolarHBondContact O-N 2.57Å; N34-L36 VanDerWaalsContact C-N 3.34Å; L36-S49 WeakPolarHBondContact O-CA 3.2Å; L36-V50 PolarHBondContact O-N 2.94Å; L36-V50 VanDerWaalsContact O-N 3.1Å |
| 37 | P | 89.9 | Confident | 80.9 | Confident | 69 Ų | 69 | 108.6 Ų | 108.6 | 45% | 0.448 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 155.1 | 167.8 | -17.8 | 31.3 | 0 | 0 | 0 | 112.5 | E48 | P37-E48 WeakPolarHBondContact CA-O 3.4Š|
| 38 | E | 87.4 | Confident | 80.4 | Confident | 90 Ų | 90 | 102.7 Ų | 102.7 | 42% | 0.421 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 131.1 | 171.3 | -75.1 | -84.9 | 152.4 | 0 | 0 | 111.3 | E40 Q41 V50 | E38-E40 PolarHBondContact O-N 3.08Å; E38-Q41 HydrophobicContact CB-CG 3.84Å; E38-V50 HydrophobicContact CG-CG2 3.97Å |
| 39 | P | 78.3 | Confident | 80.2 | Confident | 118 Ų | 118 | 95.3 Ų | 95.3 | 77% | 0.766 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -27 | -177.5 | 26.2 | -32.4 | 0 | 0 | 0 | 114 | Q41 | P39-Q41 PolarHBondContact O-N 2.99Š|
| 40 | E | 70.5 | Confident | 80 | Confident | 168 Ų | 168 | 91.1 Ų | 91.1 | 79% | 0.785 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 24.2 | -170.2 | -63.3 | -64.4 | 148.2 | 0 | 0 | 114 | E38 D42 | E38-E40 PolarHBondContact O-N 3.08Å; E40-D42 VanDerWaalsContact C-N 3.3Å; E40-D42 PolarHBondContact O-N 3Å |
| 41 | Q | 65.6 | Low | 79.9 | Confident | 72 Ų | 72 | 90.2 Ų | 90.2 | 34% | 0.336 | 51% | 0.512 | S | S | . | . | trans | -78.4 | 80.6 | 177.5 | -58.3 | -140.3 | -21.1 | 0 | 0 | 111.3 | E38 P39 N43 T46 | E38-Q41 HydrophobicContact CB-CG 3.84Å; P39-Q41 PolarHBondContact O-N 2.99Å; Q41-N43 PolarHBondContact O-N 3.25Å; Q41-T46 VanDerWaalsContact OE1-N 3.08Å | ||
| 42 | D | 57.5 | Low | 79.9 | Confident | 163 Ų | 163 | 90.4 Ų | 90.4 | 87% | 0.872 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -11 | 177.1 | -168.8 | 28.4 | 0 | 0 | 0 | 113.8 | E40 | E40-D42 VanDerWaalsContact C-N 3.3Å; E40-D42 PolarHBondContact O-N 3Å |
| 43 | N | 55.4 | Low | 79.6 | Confident | 165 Ų | 165 | 90.6 Ų | 90.6 | 88% | 0.882 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.2 | 50.1 | -172.3 | -134.9 | 19.9 | 0 | 0 | 0 | 114 | Q41 | Q41-N43 PolarHBondContact O-N 3.25Š|
| 44 | G | 55.5 | Low | 79.6 | Confident | 77 Ų | 77 | 91.9 Ų | 91.9 | 79% | 0.794 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 55.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 45 | G | 57.7 | Low | 79.8 | Confident | 34 Ų | 34 | 93.9 Ų | 93.9 | 35% | 0.351 | 52% | 0.516 | S | S | . | . | trans | -52.5 | 147.5 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | T47 | G45-T47 PolarHBondContact O-N 3.24Š| ||
| 46 | T | 62.5 | Low | 79.8 | Confident | 76 Ų | 76 | 94.4 Ų | 94.4 | 47% | 0.466 | 52% | 0.516 | S | S | . | . | trans | -57.8 | 133.4 | 176.3 | -39.1 | 0 | 0 | 0 | 0 | 108.6 | Q41 E48 | Q41-T46 VanDerWaalsContact OE1-N 3.08Å; T46-E48 HydrophobicContact CG2-CB 3.63Å; T46-E48 PolarHBondContact O-N 3.46Å | ||
| 47 | T | 78.1 | Confident | 80 | Confident | 143 Ų | 143 | 101.4 Ų | 101.4 | 88% | 0.877 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -70.8 | 22.9 | 176.3 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | G45 | G45-T47 PolarHBondContact O-N 3.24Š|
| 48 | E | 87 | Confident | 80.1 | Confident | 38 Ų | 38 | 103.9 Ų | 103.9 | 18% | 0.178 | 55% | 0.552 | C | S | . | * | S | Bend | trans | -108.6 | 144.7 | -167.9 | -177.6 | 175.8 | -135.4 | 0 | 0 | 109.6 | P37 T46 E52 K56 | P37-E48 WeakPolarHBondContact CA-O 3.4Å; T46-E48 HydrophobicContact CG2-CB 3.63Å; T46-E48 PolarHBondContact O-N 3.46Å; E48-E52 HydrophobicContact CG-CB 3.31Å; E48-E52 HydrophobicContact CG-CG 4.26Å; E48-E52 WeakPolarHBondContact CG-OE2 3.41Å; E48-E52 WeakPolarHBondContact OE1-CB 3.47Å; E48-K56 WeakPolarHBondContact OE1-CE 3.37Å; E48-K56 IonicContact OE1-NZ 2.57Å; E48-K56 PolarHBondContact OE1-NZ 3.27Å; E48-K56 WeakPolarHBondContact OE2-CE 3.16Å; E48-K56 IonicContact OE2-NZ 2.72Å; E48-K56 PolarHBondContact OE2-NZ 3.13Å |
| 49 | S | 91.6 | Very high | 80.4 | Confident | 5 Ų | 5 | 104.2 Ų | 104.2 | 4% | 0.035 | 56% | 0.556 | C | S | . | * | trans | -71 | 155.6 | 178 | 65 | 0 | 0 | 0 | 0 | 112.3 | N34 E35 L36 K51 E52 Q53 | N34-S49 WeakPolarHBondContact O-CB 3.43Å; E35-S49 VanDerWaalsContact C-CB 3.42Å; E35-S49 WeakPolarHBondContact O-CB 3.45Å; L36-S49 WeakPolarHBondContact O-CA 3.2Å; S49-K51 PolarHBondContact O-N 3.01Å; S49-E52 WeakPolarHBondContact CB-OE2 3.42Å; S49-E52 PolarHBondContact N-OE2 3.1Å; S49-E52 PolarHBondContact O-N 3.36Å; S49-E52 VanDerWaalsContact O-N 3.13Å; S49-E52 WeakPolarHBondContact OG-CB 3.33Å; S49-E52 WeakPolarHBondContact OG-CG 3.47Å; S49-E52 PolarHBondContact OG-N 3.11Å; S49-E52 PolarHBondContact OG-OE2 2.76Å; S49-Q53 PolarHBondContact O-N 3.47Å | ||
| 50 | V | 90.8 | Very high | 81 | Confident | 27 Ų | 27 | 104.9 Ų | 104.9 | 16% | 0.164 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -51.1 | -45.2 | 173.4 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | N34 L36 E38 E52 Q53 E54 | N34-V50 PolarHBondContact O-N 2.85Å; L36-V50 PolarHBondContact O-N 2.94Å; L36-V50 VanDerWaalsContact O-N 3.1Å; E38-V50 HydrophobicContact CG-CG2 3.97Å; V50-E52 PolarHBondContact O-N 2.87Å; V50-Q53 WeakPolarHBondContact O-CB 3.48Å; V50-Q53 PolarHBondContact O-N 3.45Å; V50-E54 WeakPolarHBondContact O-CG 3.21Å; V50-E54 PolarHBondContact O-N 2.72Å |
| 51 | K | 93.9 | Very high | 81.9 | Confident | 79 Ų | 79 | 98.8 Ų | 98.8 | 34% | 0.343 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 179.9 | 177.5 | 178.7 | 167 | -171.4 | 0 | 113 | N34 E35 S49 Q53 E54 M55 | N34-K51 HydrophobicContact CB-CB 4.25Å; N34-K51 WeakPolarHBondContact O-CB 3.36Å; N34-K51 PolarHBondContact O-N 3.11Å; E35-K51 WeakPolarHBondContact OE1-CD 3.45Å; E35-K51 IonicContact OE1-NZ 2.8Å; E35-K51 PolarHBondContact OE1-NZ 2.82Å; S49-K51 PolarHBondContact O-N 3.01Å; K51-Q53 VanDerWaalsContact C-N 3.34Å; K51-E54 PolarHBondContact O-N 3.27Å; K51-M55 HydrophobicContact CG-CE 3.88Å; K51-M55 WeakPolarHBondContact O-CG 3.37Å; K51-M55 PolarHBondContact O-N 3.39Å |
| 52 | E | 93.3 | Very high | 83 | Confident | 94 Ų | 94 | 100.4 Ų | 100.4 | 44% | 0.439 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 178.6 | -73.6 | 164.6 | 143.3 | 0 | 0 | 111.2 | E48 S49 V50 M55 | E48-E52 HydrophobicContact CG-CB 3.31Å; E48-E52 HydrophobicContact CG-CG 4.26Å; E48-E52 WeakPolarHBondContact CG-OE2 3.41Å; E48-E52 WeakPolarHBondContact OE1-CB 3.47Å; S49-E52 WeakPolarHBondContact CB-OE2 3.42Å; S49-E52 PolarHBondContact N-OE2 3.1Å; S49-E52 PolarHBondContact O-N 3.36Å; S49-E52 VanDerWaalsContact O-N 3.13Å; S49-E52 WeakPolarHBondContact OG-CB 3.33Å; S49-E52 WeakPolarHBondContact OG-CG 3.47Å; S49-E52 PolarHBondContact OG-N 3.11Å; S49-E52 PolarHBondContact OG-OE2 2.76Å; V50-E52 PolarHBondContact O-N 2.87Å; E52-M55 PolarHBondContact O-N 3.17Å |
| 53 | Q | 90.1 | Very high | 84.4 | Confident | 89 Ų | 89 | 98.8 Ų | 98.8 | 42% | 0.416 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 175.7 | -171.5 | 176.9 | 20.2 | 0 | 0 | 112.2 | S49 V50 K51 M55 K56 | S49-Q53 PolarHBondContact O-N 3.47Å; V50-Q53 WeakPolarHBondContact O-CB 3.48Å; V50-Q53 PolarHBondContact O-N 3.45Å; K51-Q53 VanDerWaalsContact C-N 3.34Å; Q53-M55 PolarHBondContact O-N 3.23Å; Q53-K56 WeakPolarHBondContact O-CB 3.49Å; Q53-K56 PolarHBondContact O-N 3.46Å; Q53-K56 VanDerWaalsContact O-N 3.11Å |
| 54 | E | 91.4 | Very high | 85.9 | Confident | 148 Ų | 148 | 97.7 Ų | 97.7 | 69% | 0.692 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -26.4 | 177.7 | -71.5 | 178.2 | 166.7 | 0 | 0 | 113.3 | V50 K51 K56 | V50-E54 WeakPolarHBondContact O-CG 3.21Å; V50-E54 PolarHBondContact O-N 2.72Å; K51-E54 PolarHBondContact O-N 3.27Å; E54-K56 VanDerWaalsContact C-N 3.27Å; E54-K56 PolarHBondContact O-N 3.31Å |
| 55 | M | 94.9 | Very high | 87.2 | Confident | 142 Ų | 142 | 99.9 Ų | 99.9 | 70% | 0.7 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -8.5 | 177.2 | -68.3 | -177.7 | -176 | 0 | 0 | 113.3 | K51 E52 Q53 | K51-M55 HydrophobicContact CG-CE 3.88Å; K51-M55 WeakPolarHBondContact O-CG 3.37Å; K51-M55 PolarHBondContact O-N 3.39Å; E52-M55 PolarHBondContact O-N 3.17Å; Q53-M55 PolarHBondContact O-N 3.23Å |
| 56 | K | 93.1 | Very high | 87.7 | Confident | 107 Ų | 107 | 106 Ų | 106 | 47% | 0.465 | 53% | 0.525 | S | S | . | . | trans | -82.3 | 132.7 | 177.7 | -70.7 | 178.7 | 172.8 | 171.4 | 0 | 111.2 | E48 Q53 E54 T58 | E48-K56 WeakPolarHBondContact OE1-CE 3.37Å; E48-K56 IonicContact OE1-NZ 2.57Å; E48-K56 PolarHBondContact OE1-NZ 3.27Å; E48-K56 WeakPolarHBondContact OE2-CE 3.16Å; E48-K56 IonicContact OE2-NZ 2.72Å; E48-K56 PolarHBondContact OE2-NZ 3.13Å; Q53-K56 WeakPolarHBondContact O-CB 3.49Å; Q53-K56 PolarHBondContact O-N 3.46Å; Q53-K56 VanDerWaalsContact O-N 3.11Å; E54-K56 VanDerWaalsContact C-N 3.27Å; E54-K56 PolarHBondContact O-N 3.31Å; K56-T58 HydrophobicContact CB-CG2 4.25Å; K56-T58 PolarHBondContact O-N 3.28Å | ||
| 57 | W | 95.2 | Very high | 87.7 | Confident | 225 Ų | 225 | 110.2 Ų | 110.2 | 85% | 0.852 | 54% | 0.539 | S | S | * | . | trans | -88.8 | 106.3 | 166.7 | -170.1 | 18.2 | 0 | 0 | 0 | 109.5 | ||||
| 58 | T | 91.3 | Very high | 86.8 | Confident | 122 Ų | 122 | 109.8 Ų | 109.8 | 75% | 0.748 | 53% | 0.532 | S | S | * | . | trans | -99.5 | -6.2 | -176.5 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | K56 L60 | K56-T58 HydrophobicContact CB-CG2 4.25Å; K56-T58 PolarHBondContact O-N 3.28Å; T58-L60 PolarHBondContact O-N 3.12Å | ||
| 59 | D | 93.9 | Very high | 85.6 | Confident | 96 Ų | 96 | 112.7 Ų | 112.7 | 51% | 0.513 | 55% | 0.552 | S | S | . | * | trans | -80 | 118.1 | 179.2 | 176.9 | 38.5 | 0 | 0 | 0 | 111.2 | A61 | D59-A61 PolarHBondContact OD1-N 3.4Š| ||
| 60 | L | 92.3 | Very high | 84.3 | Confident | 132 Ų | 132 | 117.1 Ų | 117.1 | 69% | 0.691 | 58% | 0.58 | S | S | * | * | trans | -103.9 | 1.2 | 179.4 | -64.4 | 175.1 | 0 | 0 | 0 | 112.6 | T58 L62 | T58-L60 PolarHBondContact O-N 3.12Å; L60-L62 HydrophobicContact CB-CD1 3.99Å; L60-L62 HydrophobicContact CB-CD2 4.36Å; L60-L62 HydrophobicContact CB-CG 3.7Å; L60-L62 HydrophobicContact CD1-CD1 3.99Å; L60-L62 PolarHBondContact O-N 3.45Å | ||
| 61 | A | 89.8 | Confident | 83.1 | Confident | 41 Ų | 41 | 121.9 Ų | 121.9 | 34% | 0.339 | 61% | 0.612 | S | S | . | * | trans | 53.6 | 23.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | D59 Q63 Y64 | D59-A61 PolarHBondContact OD1-N 3.4Å; A61-Q63 PolarHBondContact O-N 3.39Å; A61-Q63 VanDerWaalsContact O-N 3.09Å; A61-Y64 HydrophobicContact CB-CD2 4Å; A61-Y64 HydrophobicContact CB-CE2 4.02Å; A61-Y64 VanDerWaalsContact O-CD2 3.23Å; A61-Y64 WeakPolarHBondContact O-CD2 3.32Å; A61-Y64 PolarHBondContact O-N 3.3Å | ||
| 62 | L | 87.8 | Confident | 81.6 | Confident | 105 Ų | 105 | 124.7 Ų | 124.7 | 55% | 0.55 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.3 | -14.6 | -175.8 | -62.6 | 174.5 | 0 | 0 | 0 | 113.6 | L60 Y64 L65 | L60-L62 HydrophobicContact CB-CD1 3.99Å; L60-L62 HydrophobicContact CB-CD2 4.36Å; L60-L62 HydrophobicContact CB-CG 3.7Å; L60-L62 HydrophobicContact CD1-CD1 3.99Å; L60-L62 PolarHBondContact O-N 3.45Å; L62-Y64 PolarHBondContact O-N 3.27Å; L62-Y64 VanDerWaalsContact O-N 3.15Å; L62-L65 HydrophobicContact CD2-CD1 3.66Å; L62-L65 WeakPolarHBondContact O-CB 3.33Å; L62-L65 PolarHBondContact O-N 3.16Å |
| 63 | Q | 87.4 | Confident | 80.1 | Confident | 130 Ų | 130 | 123.6 Ų | 123.6 | 61% | 0.607 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -52.1 | -34 | 174.4 | 62.1 | -176.9 | 52.5 | 0 | 0 | 113.1 | A61 L65 H66 | A61-Q63 PolarHBondContact O-N 3.39Å; A61-Q63 VanDerWaalsContact O-N 3.09Å; Q63-L65 PolarHBondContact O-N 3.12Å; Q63-H66 PolarHBondContact O-N 2.93Å |
| 64 | Y | 85.9 | Confident | 77.8 | Confident | 142 Ų | 142 | 131.1 Ų | 131.1 | 56% | 0.557 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -72.4 | -14.3 | -178.8 | -60 | -64.8 | 0 | 0 | 0 | 114.1 | A61 L62 N68 | A61-Y64 HydrophobicContact CB-CD2 4Å; A61-Y64 HydrophobicContact CB-CE2 4.02Å; A61-Y64 VanDerWaalsContact O-CD2 3.23Å; A61-Y64 WeakPolarHBondContact O-CD2 3.32Å; A61-Y64 PolarHBondContact O-N 3.3Å; L62-Y64 PolarHBondContact O-N 3.27Å; L62-Y64 VanDerWaalsContact O-N 3.15Å; Y64-N68 PolarHBondContact O-ND2 3.47Å; Y64-N68 VanDerWaalsContact O-ND2 3.09Å |
| 65 | L | 83.7 | Confident | 77.1 | Confident | 123 Ų | 123 | 130.3 Ų | 130.3 | 64% | 0.644 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -77.7 | -29.5 | 177.6 | -66 | 171.8 | 0 | 0 | 0 | 112.2 | L62 Q63 | L62-L65 HydrophobicContact CD2-CD1 3.66Å; L62-L65 WeakPolarHBondContact O-CB 3.33Å; L62-L65 PolarHBondContact O-N 3.16Å; Q63-L65 PolarHBondContact O-N 3.12Å |
| 66 | H | 68.1 | Low | 76.2 | Confident | 162 Ų | 162 | 129.7 Ų | 129.7 | 75% | 0.75 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -77.4 | -32 | -176.1 | -171.8 | -114 | 0 | 0 | 0 | 112.7 | Q63 N68 | Q63-H66 PolarHBondContact O-N 2.93Å; H66-N68 VanDerWaalsContact C-N 3.32Å; H66-N68 PolarHBondContact O-N 3.39Å |
| 67 | E | 61.8 | Low | 75.2 | Confident | 164 Ų | 164 | 130.9 Ų | 130.9 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -15.2 | -179.6 | -66 | -175.4 | 162.4 | 0 | 0 | 113.9 | ||
| 68 | N | 59.1 | Low | 74 | Confident | 135 Ų | 135 | 125.4 Ų | 125.4 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 8.5 | 179.8 | -82.5 | -60.5 | 0 | 0 | 0 | 114.2 | Y64 H66 P70 | Y64-N68 PolarHBondContact O-ND2 3.47Å; Y64-N68 VanDerWaalsContact O-ND2 3.09Å; H66-N68 VanDerWaalsContact C-N 3.32Å; H66-N68 PolarHBondContact O-N 3.39Å; N68-P70 WeakPolarHBondContact O-CD 3.42Å |
| 69 | V | 63.2 | Low | 73 | Confident | 99 Ų | 99 | 125.6 Ų | 125.6 | 60% | 0.6 | 69% | 0.694 | S | S | * | * | trans | -82.8 | 106.1 | 172.2 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 70 | P | 64.1 | Low | 71.6 | Confident | 97 Ų | 97 | 127.6 Ų | 127.6 | 63% | 0.63 | 71% | 0.706 | S | S | * | * | trans | -59 | 139.7 | 174.4 | 24.4 | -32.2 | 0 | 0 | 0 | 108.8 | N68 T72 | N68-P70 WeakPolarHBondContact O-CD 3.42Å; P70-T72 PolarHBondContact O-N 3.33Å | ||
| 71 | P | 65.1 | Low | 70.1 | Confident | 128 Ų | 128 | 127.3 Ų | 127.3 | 83% | 0.831 | 71% | 0.707 | S | S | * | * | trans | -58 | 111.2 | 173.8 | 23.2 | -30.7 | 0 | 0 | 0 | 107.8 | G73 | P71-G73 PolarHBondContact O-N 3.14Å; P71-G73 VanDerWaalsContact O-N 3.09Å | ||
| 72 | T | 63.2 | Low | 68.6 | Low | 137 Ų | 137 | 133.9 Ų | 133.9 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | trans | -60.3 | 115.3 | 169 | 46.5 | 0 | 0 | 0 | 0 | 106.8 | P70 | P70-T72 PolarHBondContact O-N 3.33Š| ||
| 73 | G | 60.9 | Low | 67 | Low | 72 Ų | 72 | 136.3 Ų | 136.3 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | trans | -63.8 | 167.1 | -160.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | P71 | P71-G73 PolarHBondContact O-N 3.14Å; P71-G73 VanDerWaalsContact O-N 3.09Å | ||
| 74 | N | 41.2 | Very low | 65.1 | Low | 247 Ų | 247 | 136.9 Ų | 136.9 | 100% | 1.321 | 76% | 0.764 | S | S | * | * | trans | -127.5 | 0 | 158.5 | -110.9 | 6.4 | 0 | 0 | 0 | 107.9 |
Retrieved 74 of 74 residues in 70.1 ms
(Link to these results)