| 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 | 53.3 | Low | 76 | Confident | 229 Ų | 229 | 130.7 Ų | 130.7 | 100% | 1.128 | 66% | 0.661 | S | S | * | * | 0 | 57.6 | 0 | -69.1 | 173.5 | 173.6 | 0 | 0 | 109.8 | |||||
| 2 | T | 63.5 | Low | 77.3 | Confident | 117 Ų | 117 | 131.8 Ų | 131.8 | 72% | 0.718 | 66% | 0.658 | S | S | * | * | trans | -124.7 | -0.4 | -174.4 | 37.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 3 | L | 62.4 | Low | 78.5 | Confident | 129 Ų | 129 | 130.5 Ų | 130.5 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75 | -37.1 | -179.2 | -75.9 | 157.8 | 0 | 0 | 0 | 111.8 | A5 Q6 D7 | L3-A5 VanDerWaalsContact C-N 3.3Å; L3-A5 PolarHBondContact O-N 3.14Å; L3-Q6 PolarHBondContact O-N 3.27Å; L3-Q6 VanDerWaalsContact O-N 3.12Å; L3-D7 PolarHBondContact O-N 3.47Å; L3-D7 VanDerWaalsContact O-N 3.1Å |
| 4 | D | 76.4 | Confident | 79.6 | Confident | 119 Ų | 119 | 128.6 Ų | 128.6 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -61.3 | -36.4 | -177.5 | -52.6 | -29.3 | 0 | 0 | 0 | 113 | D7 E8 | D4-D7 PolarHBondContact O-N 3.39Å; D4-E8 PolarHBondContact O-N 2.94Å |
| 5 | A | 78.8 | Confident | 80.6 | Confident | 67 Ų | 67 | 126.5 Ų | 126.5 | 55% | 0.554 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.3 | -32.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | L3 Y9 | L3-A5 VanDerWaalsContact C-N 3.3Å; L3-A5 PolarHBondContact O-N 3.14Å; A5-Y9 WeakPolarHBondContact O-CB 3.43Å; A5-Y9 PolarHBondContact O-N 3.45Å; A5-Y9 VanDerWaalsContact O-N 3.14Å |
| 6 | Q | 78.6 | Confident | 81.5 | Confident | 145 Ų | 145 | 124.4 Ų | 124.4 | 68% | 0.678 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.7 | -39.5 | 174.7 | -77.1 | -133.9 | -49.6 | 0 | 0 | 111.4 | L3 Y9 K10 | L3-Q6 PolarHBondContact O-N 3.27Å; L3-Q6 VanDerWaalsContact O-N 3.12Å; Q6-Y9 PolarHBondContact O-N 3.1Å; Q6-K10 WeakPolarHBondContact O-CB 3.35Å; Q6-K10 PolarHBondContact O-N 2.98Å |
| 7 | D | 80.6 | Confident | 82.4 | Confident | 102 Ų | 102 | 123.7 Ų | 123.7 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.5 | -41.1 | 176.7 | -80.7 | -19.5 | 0 | 0 | 0 | 111.7 | L3 D4 Y9 K10 M11 | L3-D7 PolarHBondContact O-N 3.47Å; L3-D7 VanDerWaalsContact O-N 3.1Å; D4-D7 PolarHBondContact O-N 3.39Å; D7-Y9 PolarHBondContact O-N 3.12Å; D7-K10 PolarHBondContact O-N 3.24Å; D7-M11 WeakPolarHBondContact O-CB 3.37Å; D7-M11 PolarHBondContact O-N 3.08Å |
| 8 | E | 81.8 | Confident | 83.2 | Confident | 134 Ų | 134 | 121.9 Ų | 121.9 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.1 | -44.5 | 171.9 | -83.4 | -164.8 | 158.8 | 0 | 0 | 112.3 | D4 K10 M11 K12 | D4-E8 PolarHBondContact O-N 2.94Å; E8-K10 VanDerWaalsContact C-N 3.32Å; E8-K10 PolarHBondContact O-N 3.35Å; E8-M11 PolarHBondContact O-N 3.47Å; E8-K12 WeakPolarHBondContact O-CG 3.39Å; E8-K12 PolarHBondContact O-N 3.01Å |
| 9 | Y | 87.6 | Confident | 83.9 | Confident | 173 Ų | 173 | 124.2 Ų | 124.2 | 68% | 0.678 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.1 | -41.8 | 178.1 | 178.7 | -99.6 | 0 | 0 | 0 | 111.8 | A5 Q6 D7 K13 | A5-Y9 WeakPolarHBondContact O-CB 3.43Å; A5-Y9 PolarHBondContact O-N 3.45Å; A5-Y9 VanDerWaalsContact O-N 3.14Å; Q6-Y9 PolarHBondContact O-N 3.1Å; D7-Y9 PolarHBondContact O-N 3.12Å; Y9-K13 PolarHBondContact O-N 3.31Å; Y9-K13 VanDerWaalsContact O-N 3.08Å |
| 10 | K | 87.9 | Confident | 84.5 | Confident | 121 Ų | 121 | 124.2 Ų | 124.2 | 53% | 0.526 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.8 | -46.3 | 177 | -171.3 | -177 | 174.4 | -160.5 | 0 | 111.1 | Q6 D7 E8 K12 K13 E14 | Q6-K10 WeakPolarHBondContact O-CB 3.35Å; Q6-K10 PolarHBondContact O-N 2.98Å; D7-K10 PolarHBondContact O-N 3.24Å; E8-K10 VanDerWaalsContact C-N 3.32Å; E8-K10 PolarHBondContact O-N 3.35Å; K10-K12 PolarHBondContact O-N 3.45Å; K10-K13 WeakPolarHBondContact O-CB 3.39Å; K10-K13 PolarHBondContact O-N 2.95Å; K10-K13 VanDerWaalsContact O-N 3.12Å; K10-E14 VanDerWaalsContact CE-OE1 3.29Å; K10-E14 WeakPolarHBondContact CE-OE1 3.45Å; K10-E14 WeakPolarHBondContact O-CG 3.41Å; K10-E14 PolarHBondContact O-N 3.12Å |
| 11 | M | 85.5 | Confident | 85.1 | Confident | 102 Ų | 102 | 125.7 Ų | 125.7 | 50% | 0.502 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.3 | -42.2 | 179.8 | -162.6 | -96.6 | -72 | 0 | 0 | 111.6 | D7 E8 K13 E14 D15 | D7-M11 WeakPolarHBondContact O-CB 3.37Å; D7-M11 PolarHBondContact O-N 3.08Å; E8-M11 PolarHBondContact O-N 3.47Å; M11-K13 VanDerWaalsContact C-N 3.3Å; M11-K13 PolarHBondContact O-N 2.94Å; M11-E14 PolarHBondContact O-N 3.35Å; M11-D15 PolarHBondContact O-N 2.89Å |
| 12 | K | 90.8 | Very high | 87.1 | Confident | 144 Ų | 144 | 118.8 Ų | 118.8 | 63% | 0.626 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.3 | -37 | 172.8 | -71.3 | -138.5 | 178.5 | -176.2 | 0 | 113.3 | E8 K10 I16 | E8-K12 WeakPolarHBondContact O-CG 3.39Å; E8-K12 PolarHBondContact O-N 3.01Å; K10-K12 PolarHBondContact O-N 3.45Å; K12-I16 WeakPolarHBondContact O-CD1 3.42Å; K12-I16 WeakPolarHBondContact O-CG1 3.19Å; K12-I16 PolarHBondContact O-N 2.9Å; K12-I16 VanDerWaalsContact O-N 3.08Å |
| 13 | K | 93.3 | Very high | 88.6 | Confident | 114 Ų | 114 | 120.1 Ų | 120.1 | 50% | 0.496 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.8 | -42.5 | 177.7 | -170.2 | -174.4 | 173.4 | -167.3 | 0 | 111.2 | Y9 K10 M11 I16 E17 | Y9-K13 PolarHBondContact O-N 3.31Å; Y9-K13 VanDerWaalsContact O-N 3.08Å; K10-K13 WeakPolarHBondContact O-CB 3.39Å; K10-K13 PolarHBondContact O-N 2.95Å; K10-K13 VanDerWaalsContact O-N 3.12Å; M11-K13 VanDerWaalsContact C-N 3.3Å; M11-K13 PolarHBondContact O-N 2.94Å; K13-I16 PolarHBondContact O-N 2.86Å; K13-E17 WeakPolarHBondContact CE-OE1 3.29Å; K13-E17 PolarHBondContact O-N 3Å |
| 14 | E | 93.7 | Very high | 90.1 | Very high | 104 Ų | 104 | 121 Ų | 121 | 49% | 0.486 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.5 | -44.3 | 176.8 | -70.5 | 173.2 | -176.9 | 0 | 0 | 111.3 | K10 M11 I16 E17 L18 | K10-E14 VanDerWaalsContact CE-OE1 3.29Å; K10-E14 WeakPolarHBondContact CE-OE1 3.45Å; K10-E14 WeakPolarHBondContact O-CG 3.41Å; K10-E14 PolarHBondContact O-N 3.12Å; M11-E14 PolarHBondContact O-N 3.35Å; E14-I16 PolarHBondContact O-N 3.23Å; E14-E17 PolarHBondContact O-N 3.44Å; E14-L18 WeakPolarHBondContact O-CB 3.43Å; E14-L18 PolarHBondContact O-N 3.36Å |
| 15 | D | 94.5 | Very high | 90.9 | Very high | 97 Ų | 97 | 120.2 Ų | 120.2 | 52% | 0.519 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.3 | -43 | 175.1 | -98.7 | 6.2 | 0 | 0 | 0 | 112.5 | M11 E17 L18 Y19 | M11-D15 PolarHBondContact O-N 2.89Å; D15-E17 VanDerWaalsContact C-N 3.34Å; D15-E17 PolarHBondContact O-N 3.08Å; D15-L18 PolarHBondContact O-N 3.37Å; D15-Y19 WeakPolarHBondContact O-CB 3.39Å; D15-Y19 PolarHBondContact O-N 3.49Å |
| 16 | I | 95.9 | Very high | 91.5 | Very high | 94 Ų | 94 | 120 Ų | 120 | 48% | 0.482 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 177.2 | -69.9 | 164.6 | 0 | 0 | 0 | 110.9 | K12 K13 E14 K20 | K12-I16 WeakPolarHBondContact O-CD1 3.42Å; K12-I16 WeakPolarHBondContact O-CG1 3.19Å; K12-I16 PolarHBondContact O-N 2.9Å; K12-I16 VanDerWaalsContact O-N 3.08Å; K13-I16 PolarHBondContact O-N 2.86Å; E14-I16 PolarHBondContact O-N 3.23Å; I16-K20 HydrophobicContact CG2-CD 4.29Å; I16-K20 VanDerWaalsContact O-CG 3.31Å; I16-K20 WeakPolarHBondContact O-CG 3.25Å; I16-K20 PolarHBondContact O-N 3.38Å; I16-K20 VanDerWaalsContact O-N 3.07Å |
| 17 | E | 96.2 | Very high | 92.2 | Very high | 112 Ų | 112 | 117.5 Ų | 117.5 | 52% | 0.523 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.8 | -40.5 | 177.2 | -77.6 | -176.3 | -171.8 | 0 | 0 | 111.8 | K13 E14 D15 K20 R21 | K13-E17 WeakPolarHBondContact CE-OE1 3.29Å; K13-E17 PolarHBondContact O-N 3Å; E14-E17 PolarHBondContact O-N 3.44Å; D15-E17 VanDerWaalsContact C-N 3.34Å; D15-E17 PolarHBondContact O-N 3.08Å; E17-K20 PolarHBondContact O-N 3.48Å; E17-R21 PolarHBondContact O-N 2.99Å |
| 18 | L | 96.4 | Very high | 92.5 | Very high | 92 Ų | 92 | 119.1 Ų | 119.1 | 48% | 0.482 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 174.9 | -178.4 | 61.2 | 0 | 0 | 0 | 111.1 | E14 D15 K20 R21 I22 | E14-L18 WeakPolarHBondContact O-CB 3.43Å; E14-L18 PolarHBondContact O-N 3.36Å; D15-L18 PolarHBondContact O-N 3.37Å; L18-K20 VanDerWaalsContact C-N 3.32Å; L18-K20 PolarHBondContact O-N 3.14Å; L18-R21 PolarHBondContact O-N 3.37Å; L18-R21 VanDerWaalsContact O-N 3.14Å; L18-I22 HydrophobicContact CD1-CD1 3.99Å; L18-I22 HydrophobicContact CD1-CG1 4.29Å; L18-I22 HydrophobicContact CG-CD1 3.87Å; L18-I22 WeakPolarHBondContact O-CG1 3.31Å; L18-I22 PolarHBondContact O-N 2.75Å |
| 19 | Y | 96.9 | Very high | 92.7 | Very high | 165 Ų | 165 | 120.2 Ų | 120.2 | 65% | 0.647 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.5 | -42.4 | 177.4 | -170.1 | -92.3 | 0 | 0 | 0 | 112 | D15 R21 I22 R23 | D15-Y19 WeakPolarHBondContact O-CB 3.39Å; D15-Y19 PolarHBondContact O-N 3.49Å; Y19-R21 PolarHBondContact O-N 3.07Å; Y19-I22 PolarHBondContact O-N 2.89Å; Y19-R23 VanDerWaalsContact O-CB 3.25Å; Y19-R23 WeakPolarHBondContact O-CB 3.45Å; Y19-R23 PolarHBondContact O-N 2.94Å |
| 20 | K | 96.7 | Very high | 92.5 | Very high | 124 Ų | 124 | 120.2 Ų | 120.2 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 176.2 | -75.7 | 173.3 | -178 | 176.1 | 0 | 112.7 | I16 E17 L18 R24 | I16-K20 HydrophobicContact CG2-CD 4.29Å; I16-K20 VanDerWaalsContact O-CG 3.31Å; I16-K20 WeakPolarHBondContact O-CG 3.25Å; I16-K20 PolarHBondContact O-N 3.38Å; I16-K20 VanDerWaalsContact O-N 3.07Å; E17-K20 PolarHBondContact O-N 3.48Å; L18-K20 VanDerWaalsContact C-N 3.32Å; L18-K20 PolarHBondContact O-N 3.14Å; K20-R24 WeakPolarHBondContact O-CB 3.29Å; K20-R24 PolarHBondContact O-N 2.89Å; K20-R24 VanDerWaalsContact O-N 3.17Å |
| 21 | R | 96.3 | Very high | 92 | Very high | 156 Ų | 156 | 121.9 Ų | 121.9 | 59% | 0.589 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66 | -52.4 | 176.2 | 176.4 | -179 | -107.9 | 164.2 | -4.4 | 110.5 | E17 L18 Y19 R23 R24 E25 | E17-R21 PolarHBondContact O-N 2.99Å; L18-R21 PolarHBondContact O-N 3.37Å; L18-R21 VanDerWaalsContact O-N 3.14Å; Y19-R21 PolarHBondContact O-N 3.07Å; R21-R23 VanDerWaalsContact C-N 3.31Å; R21-R23 PolarHBondContact O-N 3.47Å; R21-R24 WeakPolarHBondContact O-CB 3.26Å; R21-R24 PolarHBondContact O-N 3.25Å; R21-E25 WeakPolarHBondContact CG-OE1 3.42Å; R21-E25 PolarHBondContact O-N 3.3Å |
| 22 | I | 96 | Very high | 91 | Very high | 83 Ų | 83 | 120.4 Ų | 120.4 | 43% | 0.426 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58.3 | -46 | 179.9 | -66.2 | 169.4 | 0 | 0 | 0 | 110.1 | L18 Y19 R24 E25 V26 | L18-I22 HydrophobicContact CD1-CD1 3.99Å; L18-I22 HydrophobicContact CD1-CG1 4.29Å; L18-I22 HydrophobicContact CG-CD1 3.87Å; L18-I22 WeakPolarHBondContact O-CG1 3.31Å; L18-I22 PolarHBondContact O-N 2.75Å; Y19-I22 PolarHBondContact O-N 2.89Å; I22-R24 VanDerWaalsContact C-N 3.28Å; I22-R24 PolarHBondContact O-N 3.34Å; I22-E25 PolarHBondContact O-N 3.48Å; I22-V26 HydrophobicContact CG2-CG2 4.17Å; I22-V26 WeakPolarHBondContact O-CB 3.4Å; I22-V26 VanDerWaalsContact O-CG2 3.26Å; I22-V26 WeakPolarHBondContact O-CG2 3.27Å; I22-V26 PolarHBondContact O-N 3.06Å |
| 23 | R | 94.7 | Very high | 90 | Very high | 145 Ų | 145 | 123.4 Ų | 123.4 | 55% | 0.547 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -56.2 | -42.5 | 176.6 | 178.4 | 176.3 | 173.1 | 177.9 | 0.1 | 112.2 | Y19 R21 E27 | Y19-R23 VanDerWaalsContact O-CB 3.25Å; Y19-R23 WeakPolarHBondContact O-CB 3.45Å; Y19-R23 PolarHBondContact O-N 2.94Å; R21-R23 VanDerWaalsContact C-N 3.31Å; R21-R23 PolarHBondContact O-N 3.47Å; R23-E27 HydrophobicContact CG-CG 4.36Å; R23-E27 IonicContact CZ-OE1 3.76Å; R23-E27 IonicContact NE-OE1 2.75Å; R23-E27 PolarHBondContact NE-OE1 2.82Å; R23-E27 IonicContact NH2-OE1 3.3Å; R23-E27 PolarHBondContact NH2-OE1 2.8Å; R23-E27 VanDerWaalsContact O-CB 3.32Å; R23-E27 WeakPolarHBondContact O-CB 3.32Å; R23-E27 VanDerWaalsContact O-CG 3.27Å; R23-E27 WeakPolarHBondContact O-CG 3.46Å; R23-E27 PolarHBondContact O-N 2.99Å |
| 24 | R | 94.5 | Very high | 89 | Confident | 149 Ų | 149 | 123 Ų | 123 | 56% | 0.562 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.9 | -40.9 | -179.5 | -165.3 | -171.4 | -54.1 | 137.3 | 5.9 | 112.2 | K20 R21 I22 E27 Q28 | K20-R24 WeakPolarHBondContact O-CB 3.29Å; K20-R24 PolarHBondContact O-N 2.89Å; K20-R24 VanDerWaalsContact O-N 3.17Å; R21-R24 WeakPolarHBondContact O-CB 3.26Å; R21-R24 PolarHBondContact O-N 3.25Å; I22-R24 VanDerWaalsContact C-N 3.28Å; I22-R24 PolarHBondContact O-N 3.34Å; R24-E27 PolarHBondContact O-N 2.81Å; R24-Q28 WeakPolarHBondContact O-CB 3.43Å; R24-Q28 PolarHBondContact O-N 2.86Å |
| 25 | E | 92.8 | Very high | 88.2 | Confident | 102 Ų | 102 | 126.2 Ų | 126.2 | 48% | 0.477 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64 | -45.9 | 176 | -74.1 | 170.8 | -169.9 | 0 | 0 | 110.6 | R21 I22 Q28 E29 | R21-E25 WeakPolarHBondContact CG-OE1 3.42Å; R21-E25 PolarHBondContact O-N 3.3Å; I22-E25 PolarHBondContact O-N 3.48Å; E25-Q28 PolarHBondContact O-N 3.01Å; E25-E29 PolarHBondContact O-N 3.19Å |
| 26 | V | 91.8 | Very high | 87.7 | Confident | 63 Ų | 63 | 127.5 Ų | 127.5 | 38% | 0.382 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61.4 | -47.7 | 174.5 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | I22 Q28 E29 F30 | I22-V26 HydrophobicContact CG2-CG2 4.17Å; I22-V26 WeakPolarHBondContact O-CB 3.4Å; I22-V26 VanDerWaalsContact O-CG2 3.26Å; I22-V26 WeakPolarHBondContact O-CG2 3.27Å; I22-V26 PolarHBondContact O-N 3.06Å; V26-Q28 VanDerWaalsContact C-N 3.27Å; V26-Q28 PolarHBondContact O-N 3.17Å; V26-E29 PolarHBondContact O-N 2.9Å; V26-F30 HydrophobicContact CG1-CD2 3.56Å; V26-F30 HydrophobicContact CG1-CE2 3.76Å; V26-F30 WeakPolarHBondContact O-CB 3.24Å; V26-F30 VanDerWaalsContact O-CD2 3.29Å; V26-F30 WeakPolarHBondContact O-CD2 3.37Å; V26-F30 PolarHBondContact O-N 3.32Å |
| 27 | E | 91.2 | Very high | 87.2 | Confident | 91 Ų | 91 | 127.8 Ų | 127.8 | 43% | 0.425 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -59.3 | -37.6 | 176.2 | -77.8 | 172.7 | 176.7 | 0 | 0 | 111.6 | R23 R24 M31 | R23-E27 HydrophobicContact CG-CG 4.36Å; R23-E27 IonicContact CZ-OE1 3.76Å; R23-E27 IonicContact NE-OE1 2.75Å; R23-E27 PolarHBondContact NE-OE1 2.82Å; R23-E27 IonicContact NH2-OE1 3.3Å; R23-E27 PolarHBondContact NH2-OE1 2.8Å; R23-E27 VanDerWaalsContact O-CB 3.32Å; R23-E27 WeakPolarHBondContact O-CB 3.32Å; R23-E27 VanDerWaalsContact O-CG 3.27Å; R23-E27 WeakPolarHBondContact O-CG 3.46Å; R23-E27 PolarHBondContact O-N 2.99Å; R24-E27 PolarHBondContact O-N 2.81Å; E27-M31 WeakPolarHBondContact O-CB 3.47Å; E27-M31 VanDerWaalsContact O-CG 3.24Å; E27-M31 WeakPolarHBondContact O-CG 3.44Å; E27-M31 PolarHBondContact O-N 2.92Å |
| 28 | Q | 88.3 | Confident | 86.9 | Confident | 137 Ų | 137 | 126.5 Ų | 126.5 | 64% | 0.64 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.3 | -37.4 | 175.2 | -86.5 | -179 | -22.4 | 0 | 0 | 113.6 | R24 E25 V26 | R24-Q28 WeakPolarHBondContact O-CB 3.43Å; R24-Q28 PolarHBondContact O-N 2.86Å; E25-Q28 PolarHBondContact O-N 3.01Å; V26-Q28 VanDerWaalsContact C-N 3.27Å; V26-Q28 PolarHBondContact O-N 3.17Å |
| 29 | E | 85.6 | Confident | 86.7 | Confident | 157 Ų | 157 | 132 Ų | 132 | 73% | 0.734 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.2 | -39.4 | 174.3 | -74.4 | -173.2 | 167.9 | 0 | 0 | 111.9 | E25 V26 | E25-E29 PolarHBondContact O-N 3.19Å; V26-E29 PolarHBondContact O-N 2.9Å |
| 30 | F | 82.7 | Confident | 86.4 | Confident | 173 Ų | 173 | 131.4 Ų | 131.4 | 76% | 0.759 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -78.5 | -21.4 | 178 | -85.3 | -86.2 | 0 | 0 | 0 | 113.6 | V26 A32 | V26-F30 HydrophobicContact CG1-CD2 3.56Å; V26-F30 HydrophobicContact CG1-CE2 3.76Å; V26-F30 WeakPolarHBondContact O-CB 3.24Å; V26-F30 VanDerWaalsContact O-CD2 3.29Å; V26-F30 WeakPolarHBondContact O-CD2 3.37Å; V26-F30 PolarHBondContact O-N 3.32Å; F30-A32 PolarHBondContact O-N 3.2Å |
| 31 | M | 78.1 | Confident | 86.2 | Confident | 155 Ų | 155 | 128.7 Ų | 128.7 | 76% | 0.764 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -70.1 | 66.8 | 157.1 | -72.3 | -162.3 | 107.9 | 0 | 0 | 108.3 | E27 K33 | E27-M31 WeakPolarHBondContact O-CB 3.47Å; E27-M31 VanDerWaalsContact O-CG 3.24Å; E27-M31 WeakPolarHBondContact O-CG 3.44Å; E27-M31 PolarHBondContact O-N 2.92Å; M31-K33 PolarHBondContact O-N 2.6Å |
| 32 | A | 65 | Low | 85.9 | Confident | 71 Ų | 71 | 126 Ų | 126 | 59% | 0.587 | 62% | 0.623 | S | S | * | * | trans | -45.3 | 136.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | F30 S34 | F30-A32 PolarHBondContact O-N 3.2Å; A32-S34 PolarHBondContact O-N 3.31Å | ||
| 33 | K | 70.2 | Confident | 85.7 | Confident | 208 Ų | 208 | 126.6 Ų | 126.6 | 90% | 0.904 | 63% | 0.63 | S | S | * | * | trans | -56.4 | 81.1 | 171.6 | -75.4 | 174.2 | 178.9 | 173.3 | 0 | 107.9 | M31 E35 | M31-K33 PolarHBondContact O-N 2.6Å; K33-E35 PolarHBondContact O-N 3.11Å | ||
| 34 | S | 70.8 | Confident | 85.3 | Confident | 106 Ų | 106 | 126.2 Ų | 126.2 | 74% | 0.741 | 63% | 0.632 | S | S | * | * | trans | -70.9 | 106.6 | -179.9 | 58 | 0 | 0 | 0 | 0 | 104.3 | A32 | A32-S34 PolarHBondContact O-N 3.31Š| ||
| 35 | E | 77.9 | Confident | 85 | Confident | 170 Ų | 170 | 122.6 Ų | 122.6 | 79% | 0.794 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 137.1 | 167.6 | -66.2 | -172.6 | 171.2 | 0 | 0 | 107.6 | K33 V37 | K33-E35 PolarHBondContact O-N 3.11Å; E35-V37 PolarHBondContact O-N 2.99Å; E35-V37 VanDerWaalsContact O-N 3.11Å |
| 36 | P | 83.2 | Confident | 84.8 | Confident | 124 Ų | 124 | 122.6 Ų | 122.6 | 81% | 0.805 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 124.4 | 179.2 | 23 | -31.9 | 0 | 0 | 0 | 108.7 | D38 | P36-D38 PolarHBondContact O-N 3.21Š|
| 37 | V | 86 | Confident | 84.5 | Confident | 100 Ų | 100 | 127 Ų | 127 | 61% | 0.606 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 120.9 | 179.9 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | E35 Y39 | E35-V37 PolarHBondContact O-N 2.99Å; E35-V37 VanDerWaalsContact O-N 3.11Å; V37-Y39 HydrophobicContact CB-CE2 4.04Å; V37-Y39 HydrophobicContact CG1-CD1 4.44Å; V37-Y39 HydrophobicContact CG1-CE1 4.06Å; V37-Y39 HydrophobicContact CG1-CE2 4.17Å; V37-Y39 VanDerWaalsContact O-CD2 3.25Å; V37-Y39 WeakPolarHBondContact O-CD2 3.26Å; V37-Y39 WeakPolarHBondContact O-CE2 3.2Å; V37-Y39 PolarHBondContact O-N 2.79Å |
| 38 | D | 89.2 | Confident | 83.8 | Confident | 86 Ų | 86 | 127.3 Ų | 127.3 | 46% | 0.46 | 65% | 0.646 | S | S | . | * | trans | -79.4 | 113.8 | 172.8 | -161.9 | -14.1 | 0 | 0 | 0 | 109.8 | P36 R40 | P36-D38 PolarHBondContact O-N 3.21Å; D38-R40 VanDerWaalsContact C-N 3.32Å; D38-R40 WeakPolarHBondContact OD1-CB 3.43Å; D38-R40 VanDerWaalsContact OD1-CG 3.26Å; D38-R40 WeakPolarHBondContact OD1-CG 3.25Å; D38-R40 IonicContact OD1-CZ 3.08Å; D38-R40 PolarHBondContact OD1-N 3.29Å; D38-R40 IonicContact OD1-NE 2.8Å; D38-R40 PolarHBondContact OD1-NE 2.91Å; D38-R40 IonicContact OD1-NH2 2.93Å; D38-R40 IonicContact OD2-CZ 3.35Å; D38-R40 VanDerWaalsContact OD2-CZ 3.3Å; D38-R40 IonicContact OD2-NE 3.69Å; D38-R40 PolarHBondContact OD2-NE 3.41Å; D38-R40 VanDerWaalsContact OD2-NE 3.08Å; D38-R40 IonicContact OD2-NH2 3.18Å; D38-R40 PolarHBondContact OD2-NH2 2.9Å | ||
| 39 | Y | 93.1 | Very high | 82.8 | Confident | 207 Ų | 207 | 129.9 Ų | 129.9 | 81% | 0.812 | 66% | 0.655 | S | S | * | * | trans | -88.8 | 1.5 | 177.2 | -65.1 | -81.1 | 0 | 0 | 0 | 113 | V37 | V37-Y39 HydrophobicContact CB-CE2 4.04Å; V37-Y39 HydrophobicContact CG1-CD1 4.44Å; V37-Y39 HydrophobicContact CG1-CE1 4.06Å; V37-Y39 HydrophobicContact CG1-CE2 4.17Å; V37-Y39 VanDerWaalsContact O-CD2 3.25Å; V37-Y39 WeakPolarHBondContact O-CD2 3.26Å; V37-Y39 WeakPolarHBondContact O-CE2 3.2Å; V37-Y39 PolarHBondContact O-N 2.79Å | ||
| 40 | R | 90.2 | Very high | 82 | Confident | 152 Ų | 152 | 129.6 Ų | 129.6 | 57% | 0.574 | 66% | 0.658 | S | S | * | * | trans | -72.7 | 134.3 | 176.8 | -66.7 | 174.9 | -78.4 | -176.7 | -1 | 109.4 | D38 V45 | D38-R40 VanDerWaalsContact C-N 3.32Å; D38-R40 WeakPolarHBondContact OD1-CB 3.43Å; D38-R40 VanDerWaalsContact OD1-CG 3.26Å; D38-R40 WeakPolarHBondContact OD1-CG 3.25Å; D38-R40 IonicContact OD1-CZ 3.08Å; D38-R40 PolarHBondContact OD1-N 3.29Å; D38-R40 IonicContact OD1-NE 2.8Å; D38-R40 PolarHBondContact OD1-NE 2.91Å; D38-R40 IonicContact OD1-NH2 2.93Å; D38-R40 IonicContact OD2-CZ 3.35Å; D38-R40 VanDerWaalsContact OD2-CZ 3.3Å; D38-R40 IonicContact OD2-NE 3.69Å; D38-R40 PolarHBondContact OD2-NE 3.41Å; D38-R40 VanDerWaalsContact OD2-NE 3.08Å; D38-R40 IonicContact OD2-NH2 3.18Å; D38-R40 PolarHBondContact OD2-NH2 2.9Å; R40-V45 HydrophobicContact CB-CG2 3.88Å | ||
| 41 | S | 92 | Very high | 81.3 | Confident | 67 Ų | 67 | 127.8 Ų | 127.8 | 47% | 0.469 | 66% | 0.661 | S | S | . | * | trans | -68.5 | 153.7 | 171.3 | 63.4 | 0 | 0 | 0 | 0 | 110.3 | T43 K44 V45 | S41-T43 PolarHBondContact O-N 3.17Å; S41-K44 CarbonylContact O-C 3.29Å; S41-K44 VanDerWaalsContact O-C 3.29Å; S41-K44 VanDerWaalsContact O-CA 3.28Å; S41-K44 WeakPolarHBondContact O-CA 3.08Å; S41-K44 PolarHBondContact O-N 2.8Å; S41-K44 PolarHBondContact OG-N 2.98Å; S41-V45 PolarHBondContact O-N 3.25Å | ||
| 42 | V | 91.5 | Very high | 81.1 | Confident | 101 Ų | 101 | 125.5 Ų | 125.5 | 61% | 0.612 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | -39 | 172.3 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | K44 V45 D46 | V42-K44 VanDerWaalsContact C-N 3.27Å; V42-K44 PolarHBondContact O-N 2.86Å; V42-V45 PolarHBondContact O-N 3.41Å; V42-D46 WeakPolarHBondContact CG1-OD2 3.28Å; V42-D46 PolarHBondContact O-N 3.21Å |
| 43 | T | 90 | Very high | 81.4 | Confident | 94 Ų | 94 | 133.8 Ų | 133.8 | 58% | 0.577 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -61.1 | -35.4 | 174.5 | -40.4 | 0 | 0 | 0 | 0 | 112.9 | S41 V45 F47 H48 | S41-T43 PolarHBondContact O-N 3.17Å; T43-V45 VanDerWaalsContact C-N 3.35Å; T43-F47 HydrophobicContact CG2-CD2 4.08Å; T43-F47 WeakPolarHBondContact O-CA 3.38Å; T43-F47 PolarHBondContact O-N 2.92Å; T43-H48 PolarHBondContact O-CE1 3.08Å; T43-H48 PolarHBondContact O-ND1 3.03Å |
| 44 | K | 87.6 | Confident | 81.4 | Confident | 137 Ų | 137 | 130.8 Ų | 130.8 | 60% | 0.596 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -87.8 | 7.1 | 174.6 | -171.3 | 165.7 | 179 | -176.4 | 0 | 113.8 | S41 V42 H48 | S41-K44 CarbonylContact O-C 3.29Å; S41-K44 VanDerWaalsContact O-C 3.29Å; S41-K44 VanDerWaalsContact O-CA 3.28Å; S41-K44 WeakPolarHBondContact O-CA 3.08Å; S41-K44 PolarHBondContact O-N 2.8Å; S41-K44 PolarHBondContact OG-N 2.98Å; V42-K44 VanDerWaalsContact C-N 3.27Å; V42-K44 PolarHBondContact O-N 2.86Å; K44-H48 WeakPolarHBondContact CA-CE1 3.24Å; K44-H48 PolarHBondContact O-CE1 3.44Å; K44-H48 PolarHBondContact O-NE2 3.21Å |
| 45 | V | 88.8 | Confident | 81.8 | Confident | 74 Ų | 74 | 130.5 Ų | 130.5 | 45% | 0.448 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -110.9 | -32.2 | 163.9 | -178.5 | 0 | 0 | 0 | 0 | 113.1 | R40 S41 V42 T43 H48 | R40-V45 HydrophobicContact CB-CG2 3.88Å; S41-V45 PolarHBondContact O-N 3.25Å; V42-V45 PolarHBondContact O-N 3.41Å; T43-V45 VanDerWaalsContact C-N 3.35Å; V45-H48 WeakPolarHBondContact CA-CE1 3.09Å; V45-H48 WeakPolarHBondContact CA-NE2 3.19Å; V45-H48 PolarHBondContact N-CE1 3Å; V45-H48 PolarHBondContact N-NE2 3.41Å; V45-H48 PolarHBondContact O-NE2 3.07Å |
| 46 | D | 87.8 | Confident | 81.8 | Confident | 102 Ų | 102 | 128.3 Ų | 128.3 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -106.4 | -29.5 | -173.5 | -56.2 | -24 | 0 | 0 | 0 | 113.2 | V42 H48 | V42-D46 WeakPolarHBondContact CG1-OD2 3.28Å; V42-D46 PolarHBondContact O-N 3.21Å; D46-H48 PolarHBondContact N-CE1 3.43Å; D46-H48 PolarHBondContact O-N 2.84Å |
| 47 | F | 85.9 | Confident | 81.4 | Confident | 154 Ų | 154 | 133 Ų | 133 | 68% | 0.675 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -75.4 | -0.8 | -172.9 | 42.1 | -165.9 | 0 | 0 | 0 | 118.5 | T43 | T43-F47 HydrophobicContact CG2-CD2 4.08Å; T43-F47 WeakPolarHBondContact O-CA 3.38Å; T43-F47 PolarHBondContact O-N 2.92Å |
| 48 | H | 75.5 | Confident | 81.1 | Confident | 99 Ų | 99 | 133.3 Ų | 133.3 | 46% | 0.458 | 67% | 0.669 | S | S | . | * | trans | -111.5 | 75.6 | -173.4 | 8.9 | -53.7 | 0 | 0 | 0 | 105.4 | T43 K44 V45 D46 D50 | T43-H48 PolarHBondContact O-CE1 3.08Å; T43-H48 PolarHBondContact O-ND1 3.03Å; K44-H48 WeakPolarHBondContact CA-CE1 3.24Å; K44-H48 PolarHBondContact O-CE1 3.44Å; K44-H48 PolarHBondContact O-NE2 3.21Å; V45-H48 WeakPolarHBondContact CA-CE1 3.09Å; V45-H48 WeakPolarHBondContact CA-NE2 3.19Å; V45-H48 PolarHBondContact N-CE1 3Å; V45-H48 PolarHBondContact N-NE2 3.41Å; V45-H48 PolarHBondContact O-NE2 3.07Å; D46-H48 PolarHBondContact N-CE1 3.43Å; D46-H48 PolarHBondContact O-N 2.84Å; H48-D50 PolarHBondContact O-N 2.84Å | ||
| 49 | K | 67.6 | Low | 80.7 | Confident | 190 Ų | 190 | 137.8 Ų | 137.8 | 83% | 0.826 | 69% | 0.687 | S | S | * | * | trans | -55 | 124.6 | 153.5 | -75.2 | -176.2 | 175.6 | -177.2 | 0 | 106.2 | V51 | K49-V51 PolarHBondContact O-N 2.74Š| ||
| 50 | D | 69.4 | Low | 79.7 | Confident | 151 Ų | 151 | 133.4 Ų | 133.4 | 81% | 0.807 | 68% | 0.684 | S | S | * | * | trans | -42.9 | 114.3 | 167.9 | -66.9 | -50 | 0 | 0 | 0 | 107.1 | H48 V52 | H48-D50 PolarHBondContact O-N 2.84Å; D50-V52 VanDerWaalsContact C-N 3.27Å; D50-V52 PolarHBondContact O-N 2.93Å | ||
| 51 | V | 68.5 | Low | 78.9 | Confident | 135 Ų | 135 | 132.9 Ų | 132.9 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | trans | -57 | 104 | 177.9 | 178.7 | 0 | 0 | 0 | 0 | 104.2 | K49 R53 | K49-V51 PolarHBondContact O-N 2.74Å; V51-R53 PolarHBondContact O-N 2.93Å | ||
| 52 | V | 72.6 | Confident | 78.2 | Confident | 108 Ų | 108 | 138.2 Ų | 138.2 | 66% | 0.655 | 71% | 0.712 | S | S | * | * | trans | -49.9 | 119.1 | 176.8 | 176.1 | 0 | 0 | 0 | 0 | 103.9 | D50 L54 | D50-V52 VanDerWaalsContact C-N 3.27Å; D50-V52 PolarHBondContact O-N 2.93Å; V52-L54 HydrophobicContact CG1-CD2 4.49Å; V52-L54 PolarHBondContact O-N 2.65Å | ||
| 53 | R | 70.7 | Confident | 77.3 | Confident | 244 Ų | 244 | 138.2 Ų | 138.2 | 92% | 0.921 | 71% | 0.705 | S | S | * | * | trans | -62 | 91 | 176.3 | -73.2 | -173.6 | 177 | -170.3 | 0.1 | 105.6 | V51 S55 | V51-R53 PolarHBondContact O-N 2.93Å; R53-S55 PolarHBondContact O-N 3.1Å | ||
| 54 | L | 71.8 | Confident | 76.5 | Confident | 146 Ų | 146 | 138.6 Ų | 138.6 | 76% | 0.764 | 70% | 0.7 | S | S | * | * | trans | -58.9 | 133.5 | 177.4 | -64.7 | 176.6 | 0 | 0 | 0 | 105.1 | V52 | V52-L54 HydrophobicContact CG1-CD2 4.49Å; V52-L54 PolarHBondContact O-N 2.65Å | ||
| 55 | S | 77.6 | Confident | 75.7 | Confident | 100 Ų | 100 | 140.2 Ų | 140.2 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | trans | -46.5 | 145.3 | 170 | 50.6 | 0 | 0 | 0 | 0 | 109 | R53 R57 | R53-S55 PolarHBondContact O-N 3.1Å; S55-R57 PolarHBondContact O-N 3.32Å; S55-R57 VanDerWaalsContact O-N 3.1Å | ||
| 56 | P | 79.2 | Confident | 74.8 | Confident | 124 Ų | 124 | 142.9 Ų | 142.9 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | trans | -44.7 | 125.7 | 177.1 | -26.9 | 34 | 0 | 0 | 0 | 109.6 | ||||
| 57 | R | 75.1 | Confident | 74.1 | Confident | 221 Ų | 221 | 145.9 Ų | 145.9 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 132.7 | 177.1 | -167.1 | -175.4 | -141.9 | -149.4 | 3.5 | 106.8 | S55 E59 | S55-R57 PolarHBondContact O-N 3.32Å; S55-R57 VanDerWaalsContact O-N 3.1Å; R57-E59 PolarHBondContact O-N 2.87Å |
| 58 | P | 79.9 | Confident | 73.8 | Confident | 107 Ų | 107 | 143.1 Ų | 143.1 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 145.7 | 170.7 | 22.1 | -32.1 | 0 | 0 | 0 | 109.1 | ||
| 59 | E | 80.3 | Confident | 73.9 | Confident | 181 Ų | 181 | 142 Ų | 142 | 85% | 0.846 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 136.4 | -179.2 | -67.8 | -165.4 | 175.5 | 0 | 0 | 109.9 | R57 M61 | R57-E59 PolarHBondContact O-N 2.87Å; E59-M61 PolarHBondContact O-N 2.99Å |
| 60 | P | 72.3 | Confident | 74.6 | Confident | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 70% | 0.703 | S | S | * | * | trans | -60.8 | 112.1 | 178.1 | 24.7 | -31.3 | 0 | 0 | 0 | 108.6 | L62 | P60-L62 PolarHBondContact O-N 3.49Š| ||
| 61 | M | 73.1 | Confident | 75.4 | Confident | 142 Ų | 142 | 135.3 Ų | 135.3 | 70% | 0.7 | 70% | 0.698 | S | S | * | * | trans | -62.2 | 129.9 | 167.2 | -91.8 | 179.8 | 64 | 0 | 0 | 108.3 | E59 H63 | E59-M61 PolarHBondContact O-N 2.99Å; M61-H63 VanDerWaalsContact C-N 3.32Å; M61-H63 PolarHBondContact O-N 2.93Å | ||
| 62 | L | 76.2 | Confident | 76.3 | Confident | 178 Ų | 178 | 131.5 Ų | 131.5 | 93% | 0.932 | 68% | 0.675 | S | S | * | * | trans | -69.2 | 92.7 | 171.6 | -109.4 | 147.4 | 0 | 0 | 0 | 108.1 | P60 | P60-L62 PolarHBondContact O-N 3.49Š| ||
| 63 | H | 72.7 | Confident | 77.2 | Confident | 101 Ų | 101 | 131.9 Ų | 131.9 | 47% | 0.468 | 67% | 0.668 | S | S | . | * | trans | -74.2 | 124.7 | 174.4 | -69 | -49.4 | 0 | 0 | 0 | 109.9 | M61 M65 E68 | M61-H63 VanDerWaalsContact C-N 3.32Å; M61-H63 PolarHBondContact O-N 2.93Å; H63-M65 VanDerWaalsContact C-N 3.29Å; H63-M65 PolarHBondContact O-N 3.36Å; H63-E68 VanDerWaalsContact CA-OE2 3.3Å; H63-E68 WeakPolarHBondContact CA-OE2 3.3Å; H63-E68 WeakPolarHBondContact CB-OE2 3.18Å; H63-E68 IonicContact CE1-OE1 3.74Å; H63-E68 IonicContact CG-OE2 3.31Å; H63-E68 IonicContact ND1-OE1 3.58Å; H63-E68 PolarHBondContact ND1-OE1 2.91Å; H63-E68 IonicContact ND1-OE2 3.58Å; H63-E68 PolarHBondContact ND1-OE2 3.25Å | ||
| 64 | E | 74 | Confident | 77.9 | Confident | 102 Ų | 102 | 127.2 Ų | 127.2 | 48% | 0.477 | 65% | 0.651 | S | S | . | * | trans | -80 | 83.4 | 173.8 | -164.4 | 177.6 | -171.6 | 0 | 0 | 108 | V66 R67 E68 | E64-V66 PolarHBondContact O-N 3.34Å; E64-R67 HydrophobicContact CG-CB 4.33Å; E64-R67 HydrophobicContact CG-CG 4.4Å; E64-R67 PolarHBondContact O-N 3.08Å; E64-R67 WeakPolarHBondContact OE1-CD 3.35Å; E64-R67 IonicContact OE1-CZ 3.34Å; E64-R67 IonicContact OE1-NE 2.9Å; E64-R67 IonicContact OE1-NH1 3.01Å; E64-R67 PolarHBondContact OE1-NH1 2.9Å; E64-R67 WeakPolarHBondContact OE2-CD 3.44Å; E64-R67 IonicContact OE2-NH1 3.79Å; E64-E68 WeakPolarHBondContact O-CB 3.4Å; E64-E68 PolarHBondContact O-N 2.88Å | ||
| 65 | M | 69.7 | Low | 78.5 | Confident | 171 Ų | 171 | 121.7 Ų | 121.7 | 84% | 0.842 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | -21.8 | -172.2 | -60.8 | -133.3 | 78.4 | 0 | 0 | 114.7 | H63 | H63-M65 VanDerWaalsContact C-N 3.29Å; H63-M65 PolarHBondContact O-N 3.36Å |
| 66 | V | 71.4 | Confident | 79 | Confident | 130 Ų | 130 | 122.6 Ų | 122.6 | 79% | 0.788 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -32.3 | -179.1 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | E64 | E64-V66 PolarHBondContact O-N 3.34Š|
| 67 | R | 72.8 | Confident | 79.4 | Confident | 165 Ų | 165 | 119.4 Ų | 119.4 | 62% | 0.623 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | -26.9 | -172.3 | -64.9 | -170.3 | 179.7 | 157.6 | -7.2 | 113.3 | E64 Q69 | E64-R67 HydrophobicContact CG-CB 4.33Å; E64-R67 HydrophobicContact CG-CG 4.4Å; E64-R67 PolarHBondContact O-N 3.08Å; E64-R67 WeakPolarHBondContact OE1-CD 3.35Å; E64-R67 IonicContact OE1-CZ 3.34Å; E64-R67 IonicContact OE1-NE 2.9Å; E64-R67 IonicContact OE1-NH1 3.01Å; E64-R67 PolarHBondContact OE1-NH1 2.9Å; E64-R67 WeakPolarHBondContact OE2-CD 3.44Å; E64-R67 IonicContact OE2-NH1 3.79Å; R67-Q69 PolarHBondContact O-N 3.42Å |
| 68 | E | 78.4 | Confident | 79.7 | Confident | 97 Ų | 97 | 113.5 Ų | 113.5 | 45% | 0.453 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -72.1 | 120.6 | -178.1 | -161.6 | 167.2 | 178.5 | 0 | 0 | 110.1 | H63 E64 | H63-E68 VanDerWaalsContact CA-OE2 3.3Å; H63-E68 WeakPolarHBondContact CA-OE2 3.3Å; H63-E68 WeakPolarHBondContact CB-OE2 3.18Å; H63-E68 IonicContact CE1-OE1 3.74Å; H63-E68 IonicContact CG-OE2 3.31Å; H63-E68 IonicContact ND1-OE1 3.58Å; H63-E68 PolarHBondContact ND1-OE1 2.91Å; H63-E68 IonicContact ND1-OE2 3.58Å; H63-E68 PolarHBondContact ND1-OE2 3.25Å; E64-E68 WeakPolarHBondContact O-CB 3.4Å; E64-E68 PolarHBondContact O-N 2.88Å |
| 69 | Q | 78.8 | Confident | 79.8 | Confident | 75 Ų | 75 | 113.5 Ų | 113.5 | 35% | 0.35 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -86.9 | 139.3 | 174.2 | -68.4 | -62.4 | -69.2 | 0 | 0 | 109.3 | R67 V71 T92 | R67-Q69 PolarHBondContact O-N 3.42Å; Q69-V71 PolarHBondContact O-N 3.29Å; Q69-T92 WeakPolarHBondContact CG-O 3.36Å |
| 70 | P | 82.8 | Confident | 80 | Confident | 84 Ų | 84 | 112.4 Ų | 112.4 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 135.7 | 178.3 | 27.5 | -34.4 | 0 | 0 | 0 | 110.3 | T72 T75 | P70-T72 HydrophobicContact CB-CG2 4.24Å; P70-T72 HydrophobicContact CG-CG2 4.4Å; P70-T72 PolarHBondContact O-N 3.2Å; P70-T75 PolarHBondContact O-OG1 3.19Å |
| 71 | V | 85.2 | Confident | 80.2 | Confident | 116 Ų | 116 | 109.2 Ų | 109.2 | 70% | 0.703 | 53% | 0.531 | S | S | * | . | trans | -74.2 | 110.9 | 171.5 | -176 | 0 | 0 | 0 | 0 | 108.1 | Q69 E76 | Q69-V71 PolarHBondContact O-N 3.29Å; V71-E76 HydrophobicContact CG1-CG 3.93Å; V71-E76 VanDerWaalsContact CG1-OE1 3.24Å; V71-E76 WeakPolarHBondContact CG1-OE1 3.49Å | ||
| 72 | T | 88.5 | Confident | 80.5 | Confident | 56 Ų | 56 | 111.3 Ų | 111.3 | 34% | 0.344 | 54% | 0.538 | S | S | . | . | trans | -129.6 | 162.8 | 176.7 | 65.5 | 0 | 0 | 0 | 0 | 109.3 | P70 W74 T75 E76 | P70-T72 HydrophobicContact CB-CG2 4.24Å; P70-T72 HydrophobicContact CG-CG2 4.4Å; P70-T72 PolarHBondContact O-N 3.2Å; T72-W74 PolarHBondContact O-N 2.96Å; T72-W74 VanDerWaalsContact O-N 3.13Å; T72-T75 PolarHBondContact N-OG1 2.85Å; T72-T75 PolarHBondContact O-N 3.43Å; T72-T75 VanDerWaalsContact O-N 3.13Å; T72-T75 PolarHBondContact O-OG1 3.26Å; T72-T75 PolarHBondContact OG1-N 3.35Å; T72-T75 PolarHBondContact OG1-OG1 2.94Å; T72-E76 WeakPolarHBondContact O-CG 3.48Å; T72-E76 PolarHBondContact O-N 2.89Å; T72-E76 VanDerWaalsContact O-N 3.09Å | ||
| 73 | F | 89.6 | Confident | 80.5 | Confident | 116 Ų | 116 | 106.9 Ų | 106.9 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -47.9 | -42.8 | 172.6 | 176.5 | -104.5 | 0 | 0 | 0 | 112.7 | E76 H77 M81 | F73-E76 PolarHBondContact O-N 2.93Å; F73-H77 AromaticContact CD2-CE1 3.65Å; F73-H77 AromaticContact CD2-ND1 3.49Å; F73-H77 WeakPolarHBondContact CD2-ND1 3.38Å; F73-H77 AromaticContact CE2-CE1 3.63Å; F73-H77 AromaticContact CE2-CG 3.99Å; F73-H77 AromaticContact CE2-ND1 3.58Å; F73-H77 WeakPolarHBondContact O-CB 3.46Å; F73-H77 PolarHBondContact O-N 2.91Å; F73-H77 PolarHBondContact O-ND1 3.18Å; F73-M81 HydrophobicContact CD1-CE 4Å; F73-M81 HydrophobicContact CE1-CE 3.26Å; F73-M81 HydrophobicContact CZ-CE 3.81Å |
| 74 | W | 86.6 | Confident | 80.5 | Confident | 146 Ų | 146 | 105.4 Ų | 105.4 | 55% | 0.553 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.5 | -43.7 | -179 | -58.7 | 104.8 | 0 | 0 | 0 | 112.9 | T72 E76 H77 R78 M81 F95 | T72-W74 PolarHBondContact O-N 2.96Å; T72-W74 VanDerWaalsContact O-N 3.13Å; W74-E76 VanDerWaalsContact C-N 3.26Å; W74-E76 PolarHBondContact O-N 3.31Å; W74-H77 PolarHBondContact O-N 2.96Å; W74-R78 PolarHBondContact O-N 3.02Å; W74-M81 HydrophobicContact CE3-CE 3.59Å; W74-M81 HydrophobicContact CE3-SD 3.34Å; W74-M81 HydrophobicContact CH2-CE 4.35Å; W74-M81 HydrophobicContact CZ3-CE 3.5Å; W74-M81 VanDerWaalsContact CZ3-CE 3.5Å; W74-M81 HydrophobicContact CZ3-SD 3.38Å; W74-M81 WeakPolarHBondContact CZ3-SD 3.39Å; W74-F95 HydrophobicContact CB-CE1 4.49Å; W74-F95 HydrophobicContact CB-CE2 3.66Å; W74-F95 HydrophobicContact CB-CZ 3.53Å; W74-F95 WeakPolarHBondContact O-CZ 3.46Å |
| 75 | T | 85.1 | Confident | 80.4 | Confident | 29 Ų | 29 | 104.7 Ų | 104.7 | 18% | 0.178 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -65.9 | -32 | 179 | 51 | 0 | 0 | 0 | 0 | 112.1 | P70 T72 P94 F95 | P70-T75 PolarHBondContact O-OG1 3.19Å; T72-T75 PolarHBondContact N-OG1 2.85Å; T72-T75 PolarHBondContact O-N 3.43Å; T72-T75 VanDerWaalsContact O-N 3.13Å; T72-T75 PolarHBondContact O-OG1 3.26Å; T72-T75 PolarHBondContact OG1-N 3.35Å; T72-T75 PolarHBondContact OG1-OG1 2.94Å; T75-P94 HydrophobicContact CG2-CG 4.03Å; T75-F95 HydrophobicContact CG2-CE2 3.98Å |
| 76 | E | 88.1 | Confident | 80.4 | Confident | 120 Ų | 120 | 104.5 Ų | 104.5 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -75.7 | -34.6 | 176.9 | -69.5 | -178.5 | 155.4 | 0 | 0 | 113.1 | V71 T72 F73 W74 | V71-E76 HydrophobicContact CG1-CG 3.93Å; V71-E76 VanDerWaalsContact CG1-OE1 3.24Å; V71-E76 WeakPolarHBondContact CG1-OE1 3.49Å; T72-E76 WeakPolarHBondContact O-CG 3.48Å; T72-E76 PolarHBondContact O-N 2.89Å; T72-E76 VanDerWaalsContact O-N 3.09Å; F73-E76 PolarHBondContact O-N 2.93Å; W74-E76 VanDerWaalsContact C-N 3.26Å; W74-E76 PolarHBondContact O-N 3.31Å |
| 77 | H | 87.6 | Confident | 80.3 | Confident | 57 Ų | 57 | 102.2 Ų | 102.2 | 26% | 0.264 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -102.5 | 6.1 | -173.3 | -65.2 | 80.6 | 0 | 0 | 0 | 113.8 | F73 W74 D79 K80 M81 | F73-H77 AromaticContact CD2-CE1 3.65Å; F73-H77 AromaticContact CD2-ND1 3.49Å; F73-H77 WeakPolarHBondContact CD2-ND1 3.38Å; F73-H77 AromaticContact CE2-CE1 3.63Å; F73-H77 AromaticContact CE2-CG 3.99Å; F73-H77 AromaticContact CE2-ND1 3.58Å; F73-H77 WeakPolarHBondContact O-CB 3.46Å; F73-H77 PolarHBondContact O-N 2.91Å; F73-H77 PolarHBondContact O-ND1 3.18Å; W74-H77 PolarHBondContact O-N 2.96Å; H77-D79 PolarHBondContact O-N 3.39Å; H77-D79 VanDerWaalsContact O-N 3.09Å; H77-K80 PolarHBondContact O-N 3.35Å; H77-M81 HydrophobicContact CB-CE 3.87Å; H77-M81 HydrophobicContact CB-CG 4.35Å; H77-M81 HydrophobicContact CB-SD 4.37Å; H77-M81 WeakPolarHBondContact O-CG 3.43Å; H77-M81 PolarHBondContact O-N 3.13Å |
| 78 | R | 80.6 | Confident | 79.9 | Confident | 96 Ų | 96 | 97.3 Ų | 97.3 | 36% | 0.362 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -51.3 | -38 | -175.2 | 71.3 | -175.8 | -175 | -170.7 | -3.6 | 114 | W74 K80 F95 | W74-R78 PolarHBondContact O-N 3.02Å; R78-K80 VanDerWaalsContact C-N 3.31Å; R78-F95 HydrophobicContact CB-CZ 4.36Å |
| 79 | D | 81.2 | Confident | 79.3 | Confident | 107 Ų | 107 | 99 Ų | 99 | 57% | 0.572 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -80 | -15.3 | -176.5 | -54.1 | -47.6 | 0 | 0 | 0 | 112.3 | H77 Y87 | H77-D79 PolarHBondContact O-N 3.39Å; H77-D79 VanDerWaalsContact O-N 3.09Å; D79-Y87 PolarHBondContact OD1-OH 3.47Å |
| 80 | K | 84.7 | Confident | 78.7 | Confident | 158 Ų | 158 | 102.5 Ų | 102.5 | 69% | 0.687 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -102 | -7 | -178.5 | -61.8 | 178.7 | -176.7 | 172.4 | 0 | 112.9 | H77 R78 | H77-K80 PolarHBondContact O-N 3.35Å; R78-K80 VanDerWaalsContact C-N 3.31Å |
| 81 | M | 78.1 | Confident | 77.8 | Confident | 48 Ų | 48 | 105.6 Ų | 105.6 | 24% | 0.236 | 54% | 0.539 | C | S | . | . | trans | -97.7 | 123.7 | -174.5 | -74.6 | -174.7 | 169.4 | 0 | 0 | 112.1 | F73 W74 H77 | F73-M81 HydrophobicContact CD1-CE 4Å; F73-M81 HydrophobicContact CE1-CE 3.26Å; F73-M81 HydrophobicContact CZ-CE 3.81Å; W74-M81 HydrophobicContact CE3-CE 3.59Å; W74-M81 HydrophobicContact CE3-SD 3.34Å; W74-M81 HydrophobicContact CH2-CE 4.35Å; W74-M81 HydrophobicContact CZ3-CE 3.5Å; W74-M81 VanDerWaalsContact CZ3-CE 3.5Å; W74-M81 HydrophobicContact CZ3-SD 3.38Å; W74-M81 WeakPolarHBondContact CZ3-SD 3.39Å; H77-M81 HydrophobicContact CB-CE 3.87Å; H77-M81 HydrophobicContact CB-CG 4.35Å; H77-M81 HydrophobicContact CB-SD 4.37Å; H77-M81 WeakPolarHBondContact O-CG 3.43Å; H77-M81 PolarHBondContact O-N 3.13Å | ||
| 82 | H | 78.8 | Confident | 76.9 | Confident | 185 Ų | 185 | 104.6 Ų | 104.6 | 86% | 0.856 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 156.2 | 173.3 | -4.8 | 82.2 | 0 | 0 | 0 | 111.4 | N84 | H82-N84 VanDerWaalsContact C-N 3.31Å; H82-N84 PolarHBondContact O-N 2.83Å |
| 83 | G | 76.2 | Confident | 76.2 | Confident | 85 Ų | 85 | 104.8 Ų | 104.8 | 88% | 0.876 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | 0.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 84 | N | 72.9 | Confident | 75.3 | Confident | 71 Ų | 71 | 100.1 Ų | 100.1 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 137 | 174.2 | -72.5 | -17.7 | 0 | 0 | 0 | 110.9 | H82 | H82-N84 VanDerWaalsContact C-N 3.31Å; H82-N84 PolarHBondContact O-N 2.83Å |
| 85 | T | 71.3 | Confident | 74.9 | Confident | 86 Ų | 86 | 98 Ų | 98 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 141.1 | 169.3 | 51.5 | 0 | 0 | 0 | 0 | 109.9 | Y87 N98 | T85-Y87 PolarHBondContact O-N 3.06Å; T85-N98 HydrophobicContact CG2-CB 4.32Å |
| 86 | H | 69.4 | Low | 74.5 | Confident | 168 Ų | 168 | 97.7 Ų | 97.7 | 78% | 0.778 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 118.5 | 180 | -159.9 | -67 | 0 | 0 | 0 | 110.3 | N98 | H86-N98 PolarHBondContact O-ND2 2.96Š|
| 87 | Y | 69.4 | Low | 73.9 | Confident | 82 Ų | 82 | 103.4 Ų | 103.4 | 32% | 0.322 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 148.2 | 172 | 55 | -80 | 0 | 0 | 0 | 108.5 | D79 T85 | D79-Y87 PolarHBondContact OD1-OH 3.47Å; T85-Y87 PolarHBondContact O-N 3.06Å |
| 88 | S | 64.5 | Low | 73.3 | Confident | 62 Ų | 62 | 104.1 Ų | 104.1 | 43% | 0.434 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -87.8 | 131 | 170 | 180 | 0 | 0 | 0 | 0 | 107.8 | N90 R91 | S88-N90 PolarHBondContact O-N 3.09Å; S88-N90 PolarHBondContact OG-N 3.13Å; S88-R91 PolarHBondContact O-N 2.83Å |
| 89 | T | 66.2 | Low | 73.3 | Confident | 131 Ų | 131 | 102 Ų | 102 | 80% | 0.804 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -22.7 | 172.2 | -41.6 | 0 | 0 | 0 | 0 | 112 | R91 | T89-R91 VanDerWaalsContact C-N 3.34Š|
| 90 | N | 64.8 | Low | 73 | Confident | 150 Ų | 150 | 99.5 Ų | 99.5 | 80% | 0.802 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -3.9 | 179.5 | -62 | -12.3 | 0 | 0 | 0 | 113.7 | S88 | S88-N90 PolarHBondContact O-N 3.09Å; S88-N90 PolarHBondContact OG-N 3.13Å |
| 91 | R | 64.7 | Low | 72.7 | Confident | 149 Ų | 149 | 101.3 Ų | 101.3 | 56% | 0.562 | 54% | 0.54 | S | S | * | . | trans | -90.7 | 132.7 | 175.5 | -99.3 | -172 | 179.3 | -174.3 | -0.1 | 110.9 | S88 T89 T93 R97 | S88-R91 PolarHBondContact O-N 2.83Å; T89-R91 VanDerWaalsContact C-N 3.34Å; R91-T93 PolarHBondContact O-N 3.5Å; R91-R97 PolarHBondContact NH1-O 3.3Å | ||
| 92 | T | 66.9 | Low | 72.9 | Confident | 95 Ų | 95 | 104.1 Ų | 104.1 | 58% | 0.583 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -62.5 | -26.2 | 175.1 | -45 | 0 | 0 | 0 | 0 | 112.8 | Q69 | Q69-T92 WeakPolarHBondContact CG-O 3.36Š|
| 93 | T | 73.3 | Confident | 73.1 | Confident | 60 Ų | 60 | 97.2 Ų | 97.2 | 37% | 0.368 | 53% | 0.531 | S | S | . | . | trans | -111.4 | 120.4 | -176.7 | 57.1 | 0 | 0 | 0 | 0 | 111.4 | R91 F95 | R91-T93 PolarHBondContact O-N 3.5Å; T93-F95 VanDerWaalsContact C-N 3.29Å; T93-F95 PolarHBondContact O-N 3.24Å | ||
| 94 | P | 70.9 | Confident | 73.5 | Confident | 18 Ų | 18 | 96.7 Ų | 96.7 | 12% | 0.117 | 51% | 0.512 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -25.9 | -176.9 | 23.2 | -30.3 | 0 | 0 | 0 | 113.4 | T75 | T75-P94 HydrophobicContact CG2-CG 4.03Š|
| 95 | F | 78 | Confident | 73.9 | Confident | 102 Ų | 102 | 99.6 Ų | 99.6 | 45% | 0.447 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 35.1 | -175.3 | -56.2 | -65.7 | 0 | 0 | 0 | 113.7 | W74 T75 R78 T93 | W74-F95 HydrophobicContact CB-CE1 4.49Å; W74-F95 HydrophobicContact CB-CE2 3.66Å; W74-F95 HydrophobicContact CB-CZ 3.53Å; W74-F95 WeakPolarHBondContact O-CZ 3.46Å; T75-F95 HydrophobicContact CG2-CE2 3.98Å; R78-F95 HydrophobicContact CB-CZ 4.36Å; T93-F95 VanDerWaalsContact C-N 3.29Å; T93-F95 PolarHBondContact O-N 3.24Å |
| 96 | G | 76.3 | Confident | 74.4 | Confident | 22 Ų | 22 | 98.8 Ų | 98.8 | 23% | 0.227 | 54% | 0.535 | C | S | . | . | trans | -64.7 | 141.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N98 | G96-N98 PolarHBondContact O-N 2.63Š| ||
| 97 | R | 75.4 | Confident | 75 | Confident | 240 Ų | 240 | 96.8 Ų | 96.8 | 91% | 0.906 | 53% | 0.526 | S | S | * | . | trans | -54.9 | 128.9 | 174.8 | -64.5 | -176.1 | -168.1 | 165.2 | 3.8 | 109.9 | R91 | R91-R97 PolarHBondContact NH1-O 3.3Š| ||
| 98 | N | 76.7 | Confident | 75.4 | Confident | 71 Ų | 71 | 94.8 Ų | 94.8 | 38% | 0.38 | 52% | 0.518 | S | S | . | . | trans | -118.5 | 113.8 | 172 | -175.1 | -15.1 | 0 | 0 | 0 | 107.9 | T85 H86 G96 A100 | T85-N98 HydrophobicContact CG2-CB 4.32Å; H86-N98 PolarHBondContact O-ND2 2.96Å; G96-N98 PolarHBondContact O-N 2.63Å; N98-A100 WeakPolarHBondContact OD1-CB 3.48Å; N98-A100 PolarHBondContact OD1-N 2.94Å | ||
| 99 | A | 79.8 | Confident | 75.4 | Confident | 51 Ų | 51 | 98.6 Ų | 98.6 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | trans | -109.2 | 12.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F101 T102 T103 | A99-F101 PolarHBondContact O-N 3.35Å; A99-T102 PolarHBondContact O-N 3.35Å; A99-T102 PolarHBondContact O-OG1 3.1Å; A99-T103 PolarHBondContact O-N 3.28Å; A99-T103 PolarHBondContact O-OG1 3.49Å | ||
| 100 | A | 75.3 | Confident | 75.4 | Confident | 55 Ų | 55 | 100.6 Ų | 100.6 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N98 Y108 | N98-A100 WeakPolarHBondContact OD1-CB 3.48Å; N98-A100 PolarHBondContact OD1-N 2.94Å; A100-Y108 PolarHBondContact O-OH 3.32Å |
| 101 | F | 77.1 | Confident | 75.6 | Confident | 196 Ų | 196 | 96.5 Ų | 96.5 | 86% | 0.86 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -28.5 | 175 | -178.3 | -99.6 | 0 | 0 | 0 | 113.6 | A99 | A99-F101 PolarHBondContact O-N 3.35Š|
| 102 | T | 83.2 | Confident | 75.7 | Confident | 108 Ų | 108 | 95.6 Ų | 95.6 | 66% | 0.663 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -10.7 | -175.5 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | A99 P104 | A99-T102 PolarHBondContact O-N 3.35Å; A99-T102 PolarHBondContact O-OG1 3.1Å; T102-P104 WeakPolarHBondContact O-CD 3.26Å |
| 103 | T | 82.4 | Confident | 75.7 | Confident | 40 Ų | 40 | 94.7 Ų | 94.7 | 25% | 0.245 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -61.7 | 123.4 | 172.6 | -60.2 | 0 | 0 | 0 | 0 | 109.7 | A99 Q107 Y108 | A99-T103 PolarHBondContact O-N 3.28Å; A99-T103 PolarHBondContact O-OG1 3.49Å; T103-Q107 HydrophobicContact CG2-CB 3.69Å; T103-Y108 HydrophobicContact CG2-CD2 4.2Å; T103-Y108 HydrophobicContact CG2-CE2 3.84Å; T103-Y108 VanDerWaalsContact O-CE2 3.26Å; T103-Y108 WeakPolarHBondContact O-CE2 3.46Å; T103-Y108 PolarHBondContact O-OH 2.98Å |
| 104 | P | 85.9 | Confident | 75.1 | Confident | 74 Ų | 74 | 95.4 Ų | 95.4 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | trans | -60.8 | 145.9 | 174.7 | -23.7 | 33.6 | 0 | 0 | 0 | 112.2 | T102 G106 Q107 | T102-P104 WeakPolarHBondContact O-CD 3.26Å; P104-G106 PolarHBondContact O-N 3.25Å; P104-G106 VanDerWaalsContact O-N 3.08Å; P104-Q107 WeakPolarHBondContact O-CB 3.18Å; P104-Q107 PolarHBondContact O-N 3.09Å | ||
| 105 | I | 80.6 | Confident | 74.7 | Confident | 132 Ų | 132 | 101 Ų | 101 | 68% | 0.677 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -56.5 | -32.3 | -172.7 | -161 | 160.6 | 0 | 0 | 0 | 114.3 | Q107 Y108 M113 | I105-Q107 PolarHBondContact O-N 2.92Å; I105-Y108 WeakPolarHBondContact O-CD2 3.24Å; I105-Y108 PolarHBondContact O-N 3.07Å; I105-M113 HydrophobicContact CD1-CE 4.2Å; I105-M113 HydrophobicContact CD1-SD 4.25Å; I105-M113 HydrophobicContact CG1-SD 3.98Å |
| 106 | G | 81.4 | Confident | 74.1 | Confident | 68 Ų | 68 | 101.1 Ų | 101.1 | 70% | 0.701 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -71.3 | -9.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P104 | P104-G106 PolarHBondContact O-N 3.25Å; P104-G106 VanDerWaalsContact O-N 3.08Å |
| 107 | Q | 82.6 | Confident | 73.2 | Confident | 126 Ų | 126 | 108.3 Ų | 108.3 | 59% | 0.589 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -97.8 | -3.7 | -178.7 | -64.3 | -176.1 | -1.4 | 0 | 0 | 113.6 | T103 P104 I105 L109 | T103-Q107 HydrophobicContact CG2-CB 3.69Å; P104-Q107 WeakPolarHBondContact O-CB 3.18Å; P104-Q107 PolarHBondContact O-N 3.09Å; I105-Q107 PolarHBondContact O-N 2.92Å; Q107-L109 PolarHBondContact O-N 3.27Å |
| 108 | Y | 77.4 | Confident | 72.5 | Confident | 40 Ų | 40 | 102.5 Ų | 102.5 | 16% | 0.157 | 57% | 0.567 | C | S | . | * | trans | -78.5 | 64.6 | 172.2 | -63.8 | -99.4 | 0 | 0 | 0 | 109.6 | A100 T103 I105 N110 S111 P114 | A100-Y108 PolarHBondContact O-OH 3.32Å; T103-Y108 HydrophobicContact CG2-CD2 4.2Å; T103-Y108 HydrophobicContact CG2-CE2 3.84Å; T103-Y108 VanDerWaalsContact O-CE2 3.26Å; T103-Y108 WeakPolarHBondContact O-CE2 3.46Å; T103-Y108 PolarHBondContact O-OH 2.98Å; I105-Y108 WeakPolarHBondContact O-CD2 3.24Å; I105-Y108 PolarHBondContact O-N 3.07Å; Y108-N110 PolarHBondContact O-N 2.97Å; Y108-N110 VanDerWaalsContact O-N 3.1Å; Y108-S111 WeakPolarHBondContact CA-OG 3.46Å; Y108-S111 WeakPolarHBondContact CD1-OG 3.4Å; Y108-P114 HydrophobicContact CE1-CG 3.91Å | ||
| 109 | L | 65 | Low | 71.6 | Confident | 143 Ų | 143 | 105.8 Ų | 105.8 | 75% | 0.749 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -68.1 | -12.6 | -166.1 | -97.4 | 155.9 | 0 | 0 | 0 | 115.2 | Q107 | Q107-L109 PolarHBondContact O-N 3.27Š|
| 110 | N | 67 | Low | 70.5 | Confident | 173 Ų | 173 | 111.3 Ų | 111.3 | 93% | 0.925 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -170.2 | 20.6 | 171 | -79.6 | -46.7 | 0 | 0 | 0 | 111.4 | Y108 | Y108-N110 PolarHBondContact O-N 2.97Å; Y108-N110 VanDerWaalsContact O-N 3.1Å |
| 111 | S | 68.4 | Low | 69.7 | Low | 64 Ų | 64 | 114.2 Ų | 114.2 | 45% | 0.448 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -102.7 | 147.2 | -177.3 | 45.5 | 0 | 0 | 0 | 0 | 110 | Y108 M113 | Y108-S111 WeakPolarHBondContact CA-OG 3.46Å; Y108-S111 WeakPolarHBondContact CD1-OG 3.4Å; S111-M113 PolarHBondContact O-N 3.06Å |
| 112 | R | 66 | Low | 68.3 | Low | 129 Ų | 129 | 120 Ų | 120 | 49% | 0.487 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -54.2 | 127.9 | 177.8 | -172.1 | 174.9 | 174.5 | -166.6 | -2.2 | 110.1 | E116 | R112-E116 HydrophobicContact CG-CB 3.9Å; R112-E116 PolarHBondContact NE-O 2.83Å; R112-E116 PolarHBondContact NH2-O 2.68Å |
| 113 | M | 66.3 | Low | 67.6 | Low | 77 Ų | 77 | 120.7 Ų | 120.7 | 38% | 0.379 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 144.5 | -179.5 | -69.8 | -117 | -74.5 | 0 | 0 | 110.1 | I105 S111 C115 E116 | I105-M113 HydrophobicContact CD1-CE 4.2Å; I105-M113 HydrophobicContact CD1-SD 4.25Å; I105-M113 HydrophobicContact CG1-SD 3.98Å; S111-M113 PolarHBondContact O-N 3.06Å; M113-C115 PolarHBondContact O-N 3.08Å; M113-C115 VanDerWaalsContact O-N 3.11Å; M113-E116 HydrophobicContact CB-CG 4.03Å; M113-E116 PolarHBondContact N-OE2 3.08Å; M113-E116 PolarHBondContact O-N 2.6Å; M113-E116 VanDerWaalsContact O-N 3.08Å |
| 114 | P | 61.9 | Low | 66.8 | Low | 75 Ų | 75 | 124.9 Ų | 124.9 | 49% | 0.487 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.3 | 121 | 167.7 | -16.7 | 29.4 | 0 | 0 | 0 | 107.9 | Y108 | Y108-P114 HydrophobicContact CE1-CG 3.91Š|
| 115 | C | 62.2 | Low | 65.7 | Low | 136 Ų | 136 | 127.7 Ų | 127.7 | 92% | 0.919 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.8 | -4.1 | -174.6 | -54.5 | 0 | 0 | 0 | 0 | 118.7 | M113 M117 | M113-C115 PolarHBondContact O-N 3.08Å; M113-C115 VanDerWaalsContact O-N 3.11Å; C115-M117 PolarHBondContact O-N 3.11Å; C115-M117 VanDerWaalsContact O-N 3.08Å |
| 116 | E | 66.2 | Low | 64.9 | Low | 104 Ų | 104 | 127.5 Ų | 127.5 | 49% | 0.486 | 67% | 0.666 | S | S | . | * | trans | -68.2 | 110.5 | 169.9 | -87.4 | 175 | 162.7 | 0 | 0 | 110 | R112 M113 | R112-E116 HydrophobicContact CG-CB 3.9Å; R112-E116 PolarHBondContact NE-O 2.83Å; R112-E116 PolarHBondContact NH2-O 2.68Å; M113-E116 HydrophobicContact CB-CG 4.03Å; M113-E116 PolarHBondContact N-OE2 3.08Å; M113-E116 PolarHBondContact O-N 2.6Å; M113-E116 VanDerWaalsContact O-N 3.08Å | ||
| 117 | M | 57.5 | Low | 63.8 | Low | 172 Ų | 172 | 131.2 Ų | 131.2 | 85% | 0.847 | 66% | 0.664 | S | S | * | * | trans | -64.9 | 142 | 175.7 | -103.6 | 176.7 | 69.3 | 0 | 0 | 111 | C115 V119 | C115-M117 PolarHBondContact O-N 3.11Å; C115-M117 VanDerWaalsContact O-N 3.08Å; M117-V119 PolarHBondContact O-N 3.07Å | ||
| 118 | Q | 59 | Low | 62.6 | Low | 119 Ų | 119 | 131.5 Ų | 131.5 | 56% | 0.556 | 67% | 0.669 | S | S | * | * | trans | -75.2 | 103.6 | 179.7 | -129.2 | 166.2 | 15.5 | 0 | 0 | 106.9 | F120 | Q118-F120 HydrophobicContact CB-CD2 4.33Å; Q118-F120 HydrophobicContact CB-CE2 4.03Å; Q118-F120 HydrophobicContact CG-CE2 4.49Å; Q118-F120 PolarHBondContact O-N 3.45Å | ||
| 119 | V | 58.4 | Low | 61.5 | Low | 140 Ų | 140 | 138.1 Ų | 138.1 | 85% | 0.848 | 71% | 0.705 | S | S | * | * | trans | -74 | 98.3 | 170.8 | -165.5 | 0 | 0 | 0 | 0 | 106.2 | M117 S121 | M117-V119 PolarHBondContact O-N 3.07Å; V119-S121 PolarHBondContact O-N 3.23Å | ||
| 120 | F | 55.8 | Low | 61.2 | Low | 166 Ų | 166 | 137.7 Ų | 137.7 | 73% | 0.728 | 70% | 0.702 | S | S | * | * | trans | -70.6 | 111 | 169.6 | -78.3 | -85.7 | 0 | 0 | 0 | 107.9 | Q118 R122 | Q118-F120 HydrophobicContact CB-CD2 4.33Å; Q118-F120 HydrophobicContact CB-CE2 4.03Å; Q118-F120 HydrophobicContact CG-CE2 4.49Å; Q118-F120 PolarHBondContact O-N 3.45Å; F120-R122 PolarHBondContact O-N 3.06Å | ||
| 121 | S | 59.2 | Low | 60.8 | Low | 116 Ų | 116 | 134.8 Ų | 134.8 | 81% | 0.811 | 68% | 0.683 | S | S | * | * | trans | -68.6 | 124.9 | 163.6 | 59.6 | 0 | 0 | 0 | 0 | 108.1 | V119 | V119-S121 PolarHBondContact O-N 3.23Š| ||
| 122 | R | 48.2 | Very low | 60.1 | Low | 319 Ų | 319 | 141.2 Ų | 141.2 | 100% | 1.204 | 71% | 0.705 | S | S | * | * | trans | -71 | 0 | 171 | -73.7 | -173.1 | 178.2 | -167 | 0.2 | 111.4 | F120 | F120-R122 PolarHBondContact O-N 3.06Š|
Retrieved 122 of 122 residues in 94.3 ms
(Link to these results)