| 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 | 39.7 | Very low | 41.9 | Very low | 251 Ų | 251 | 150.5 Ų | 150.5 | 100% | 1.236 | 84% | 0.84 | S | S | * | * | 0 | 83.9 | 0 | -60.8 | -175.6 | -176.6 | 0 | 0 | 106 | |||||
| 2 | G | 41 | Very low | 42 | Very low | 70 Ų | 70 | 146.1 Ų | 146.1 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | 96.5 | 119.3 | 93.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 3 | N | 39.7 | Very low | 41.8 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | cis | -143.2 | 127 | 13.9 | -76.1 | -20.8 | 0 | 0 | 0 | 110.2 | ||||
| 4 | Q | 46.2 | Very low | 42.1 | Very low | 184 Ų | 184 | 143.3 Ų | 143.3 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -66.7 | 132.6 | 137.8 | -71.7 | 171.3 | -11.2 | 0 | 0 | 106.5 | ||||
| 5 | L | 45.1 | Very low | 42.1 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | 150.1 | 86.9 | 155.3 | -81.4 | 163.2 | 0 | 0 | 0 | 109.8 | ||||
| 6 | T | 42.2 | Very low | 42 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -171.8 | 41.3 | 138 | 19.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 7 | E | 42.7 | Very low | 41.8 | Very low | 194 Ų | 194 | 142.4 Ų | 142.4 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | trans | -96.8 | 59 | 160.3 | -76.7 | -166.7 | 160.2 | 0 | 0 | 109.9 | ||||
| 8 | I | 47.2 | Very low | 41.7 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 80% | 0.795 | 77% | 0.772 | S | S | * | * | trans | -148.1 | 59.9 | 163.4 | -40.1 | 172.6 | 0 | 0 | 0 | 108.8 | ||||
| 9 | A | 34.8 | Very low | 42.3 | Very low | 79 Ų | 79 | 142.5 Ų | 142.5 | 65% | 0.653 | 76% | 0.764 | S | S | * | * | trans | -106.3 | 113 | 148.7 | 0 | 0 | 0 | 0 | 0 | 105.1 | N11 | A9-N11 PolarHBondContact O-N 3.26Š| ||
| 10 | P | 39.8 | Very low | 43.1 | Very low | 97 Ų | 97 | 141 Ų | 141 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | trans | -55.7 | 123.6 | 166.9 | 23.1 | -28.8 | 0 | 0 | 0 | 106 | T12 | P10-T12 HydrophobicContact CB-CG2 4.42Å; P10-T12 PolarHBondContact O-N 3.47Å; P10-T12 PolarHBondContact O-OG1 3.42Å | ||
| 11 | N | 42.4 | Very low | 44.4 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | trans | -64 | 62.5 | 162.7 | -76.8 | -47.3 | 0 | 0 | 0 | 108.4 | A9 P13 | A9-N11 PolarHBondContact O-N 3.26Å; N11-P13 WeakPolarHBondContact O-CD 3.38Å | ||
| 12 | T | 43.3 | Very low | 46.2 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 60% | 0.601 | 73% | 0.728 | S | S | * | * | trans | -85.3 | 108.4 | 163.5 | 31.3 | 0 | 0 | 0 | 0 | 105.8 | P10 F14 | P10-T12 HydrophobicContact CB-CG2 4.42Å; P10-T12 PolarHBondContact O-N 3.47Å; P10-T12 PolarHBondContact O-OG1 3.42Å; T12-F14 PolarHBondContact O-N 2.65Å | ||
| 13 | P | 39.1 | Very low | 48.2 | Very low | 75 Ų | 75 | 135.4 Ų | 135.4 | 49% | 0.487 | 72% | 0.719 | S | S | . | * | trans | -68.9 | 81 | 162.7 | 29.3 | -30.2 | 0 | 0 | 0 | 106.8 | N11 L15 Q16 | N11-P13 WeakPolarHBondContact O-CD 3.38Å; P13-L15 PolarHBondContact O-N 2.9Å; P13-Q16 HydrophobicContact CB-CB 3.96Å; P13-Q16 HydrophobicContact CB-CG 3.54Å; P13-Q16 HydrophobicContact CG-CG 4.45Å | ||
| 14 | F | 46.3 | Very low | 50.3 | Low | 178 Ų | 178 | 132.8 Ų | 132.8 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -14.9 | -174 | 179.4 | -115.6 | 0 | 0 | 0 | 112 | T12 | T12-F14 PolarHBondContact O-N 2.65Š|
| 15 | L | 42.5 | Very low | 52.2 | Low | 108 Ų | 108 | 127.6 Ų | 127.6 | 57% | 0.565 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.3 | 42.5 | 179.4 | -61.6 | 172.1 | 0 | 0 | 0 | 113.9 | P13 N17 F18 | P13-L15 PolarHBondContact O-N 2.9Å; L15-N17 PolarHBondContact O-N 3.17Å; L15-F18 HydrophobicContact CB-CE2 3.8Å; L15-F18 HydrophobicContact CB-CZ 4.3Å; L15-F18 HydrophobicContact CD1-CE2 3.97Å; L15-F18 HydrophobicContact CD1-CZ 4.02Å; L15-F18 HydrophobicContact CD2-CE2 4.14Å; L15-F18 HydrophobicContact CD2-CZ 3.74Å; L15-F18 HydrophobicContact CG-CE2 4.19Å; L15-F18 HydrophobicContact CG-CZ 4.24Å |
| 16 | Q | 39.4 | Very low | 54.2 | Low | 153 Ų | 153 | 125.9 Ų | 125.9 | 72% | 0.715 | 68% | 0.68 | S | S | * | * | trans | -75.4 | 121.8 | 168 | -89.4 | 176.1 | -3.6 | 0 | 0 | 110.8 | P13 | P13-Q16 HydrophobicContact CB-CB 3.96Å; P13-Q16 HydrophobicContact CB-CG 3.54Å; P13-Q16 HydrophobicContact CG-CG 4.45Å | ||
| 17 | N | 38.6 | Very low | 56.3 | Low | 153 Ų | 153 | 120.6 Ų | 120.6 | 82% | 0.818 | 66% | 0.655 | S | S | * | * | trans | 81.6 | 70.8 | 179.7 | -63 | -17.4 | 0 | 0 | 0 | 117.2 | L15 Q19 | L15-N17 PolarHBondContact O-N 3.17Å; N17-Q19 PolarHBondContact O-N 2.74Å | ||
| 18 | F | 40.4 | Very low | 58.3 | Low | 156 Ų | 156 | 118.4 Ų | 118.4 | 68% | 0.684 | 65% | 0.649 | S | S | * | * | trans | -68.9 | 97.7 | 151.7 | -75.1 | -73.5 | 0 | 0 | 0 | 109.3 | L15 | L15-F18 HydrophobicContact CB-CE2 3.8Å; L15-F18 HydrophobicContact CB-CZ 4.3Å; L15-F18 HydrophobicContact CD1-CE2 3.97Å; L15-F18 HydrophobicContact CD1-CZ 4.02Å; L15-F18 HydrophobicContact CD2-CE2 4.14Å; L15-F18 HydrophobicContact CD2-CZ 3.74Å; L15-F18 HydrophobicContact CG-CE2 4.19Å; L15-F18 HydrophobicContact CG-CZ 4.24Å | ||
| 19 | Q | 53.7 | Low | 60.1 | Low | 132 Ų | 132 | 117.4 Ų | 117.4 | 62% | 0.617 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -75 | 120.4 | 155.7 | -72 | -169.8 | -27.5 | 0 | 0 | 107.3 | N17 L21 | N17-Q19 PolarHBondContact O-N 2.74Å; Q19-L21 PolarHBondContact O-N 2.96Å |
| 20 | S | 57.8 | Low | 62.5 | Low | 112 Ų | 112 | 116.8 Ų | 116.8 | 78% | 0.783 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 125.4 | 168.7 | -58.7 | 0 | 0 | 0 | 0 | 109.4 | ||
| 21 | L | 71.1 | Confident | 64.8 | Low | 73 Ų | 73 | 114 Ų | 114 | 38% | 0.382 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -92.9 | 128.3 | 177.9 | -62.5 | 174.4 | 0 | 0 | 0 | 108.3 | Q19 V23 Y126 I129 | Q19-L21 PolarHBondContact O-N 2.96Å; L21-V23 HydrophobicContact CB-CG2 4.26Å; L21-Y126 HydrophobicContact CD1-CD2 4.13Å; L21-Y126 HydrophobicContact CD1-CE2 4.49Å; L21-I129 HydrophobicContact CD1-CD1 3.88Å; L21-I129 HydrophobicContact CD2-CD1 4.44Å; L21-I129 HydrophobicContact CD2-CG2 3.95Å |
| 22 | H | 76.6 | Confident | 66.9 | Low | 185 Ų | 185 | 106.8 Ų | 106.8 | 86% | 0.856 | 59% | 0.589 | S | S | * | * | trans | -89.3 | 110.1 | 169 | -71.9 | -163.3 | 0 | 0 | 0 | 107.9 | ||||
| 23 | V | 82.6 | Confident | 69.2 | Low | 87 Ų | 87 | 104.1 Ų | 104.1 | 53% | 0.527 | 57% | 0.569 | S | S | . | * | trans | -115.5 | 132.9 | 179 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | L21 L125 | L21-V23 HydrophobicContact CB-CG2 4.26Å; V23-L125 HydrophobicContact CG1-CD2 4.28Å | ||
| 24 | V | 84.9 | Confident | 71.4 | Confident | 105 Ų | 105 | 102.3 Ų | 102.3 | 64% | 0.636 | 56% | 0.557 | S | S | * | * | trans | -107.7 | 126.7 | 175.2 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | I26 | V24-I26 HydrophobicContact CG1-CG2 3.77Š| ||
| 25 | V | 85.6 | Confident | 73.5 | Confident | 74 Ų | 74 | 94.3 Ų | 94.3 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | trans | -100.6 | 117.7 | 172.9 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | K33 L37 | V25-K33 HydrophobicContact CG1-CB 4.22Å; V25-K33 HydrophobicContact CG1-CD 4.48Å; V25-K33 HydrophobicContact CG1-CG 4.14Å; V25-L37 HydrophobicContact CG2-CD2 4.47Å | ||
| 26 | I | 87.1 | Confident | 75.6 | Confident | 116 Ų | 116 | 89.8 Ų | 89.8 | 60% | 0.595 | 50% | 0.499 | S | S | * | . | trans | -119.3 | 163.2 | 178.2 | 63.4 | 169.2 | 0 | 0 | 0 | 111.1 | V24 I61 | V24-I26 HydrophobicContact CG1-CG2 3.77Å; I26-I61 HydrophobicContact CD1-CD1 3.63Å | ||
| 27 | G | 86.6 | Confident | 77.8 | Confident | 37 Ų | 37 | 86.8 Ų | 86.8 | 38% | 0.381 | 49% | 0.488 | S | S | . | . | trans | 155.8 | 162.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K33 | G27-K33 WeakPolarHBondContact O-CE 3.36Å; G27-K33 PolarHBondContact O-NZ 3.06Å | ||
| 28 | L | 85.4 | Confident | 79.9 | Confident | 148 Ų | 148 | 84.3 Ų | 84.3 | 78% | 0.775 | 47% | 0.468 | S | S | * | . | trans | -62.9 | 168.8 | 179.3 | -61.4 | 178 | 0 | 0 | 0 | 112.3 | A31 K33 | L28-A31 VanDerWaalsContact O-CB 3.22Å; L28-A31 WeakPolarHBondContact O-CB 3.13Å; L28-A31 PolarHBondContact O-N 3.22Å; L28-K33 PolarHBondContact O-NZ 3.02Å | ||
| 29 | D | 83.7 | Confident | 82.1 | Confident | 134 Ų | 134 | 79 Ų | 79 | 72% | 0.717 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 148.2 | 168.9 | -168.4 | 22.5 | 0 | 0 | 0 | 110.5 | A31 | D29-A31 PolarHBondContact O-N 3.41Š|
| 30 | A | 85.2 | Confident | 83.3 | Confident | 65 Ų | 65 | 76.6 Ų | 76.6 | 54% | 0.537 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 5.5 | -175 | 0 | 0 | 0 | 0 | 0 | 116.4 | G32 K78 | A30-G32 PolarHBondContact O-N 3.25Å; A30-K78 WeakPolarHBondContact O-CE 3.29Å; A30-K78 PolarHBondContact O-NZ 3.28Å |
| 31 | A | 88.2 | Confident | 84 | Confident | 38 Ų | 38 | 79.6 Ų | 79.6 | 31% | 0.314 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -63.1 | -13.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L28 D29 N77 | L28-A31 VanDerWaalsContact O-CB 3.22Å; L28-A31 WeakPolarHBondContact O-CB 3.13Å; L28-A31 PolarHBondContact O-N 3.22Å; D29-A31 PolarHBondContact O-N 3.41Å; A31-N77 PolarHBondContact O-ND2 3.49Å |
| 32 | G | 87.7 | Confident | 84.5 | Confident | 15 Ų | 15 | 80.2 Ų | 80.2 | 16% | 0.155 | 44% | 0.436 | C | S | . | . | S | Bend | trans | 94.5 | 15 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A30 T34 S35 L36 | A30-G32 PolarHBondContact O-N 3.25Å; G32-T34 PolarHBondContact O-N 3.27Å; G32-S35 PolarHBondContact O-N 3.19Å; G32-L36 WeakPolarHBondContact O-CB 3.39Å; G32-L36 VanDerWaalsContact O-CG 3.3Å; G32-L36 WeakPolarHBondContact O-CG 2.95Å; G32-L36 PolarHBondContact O-N 3.08Å |
| 33 | K | 90.4 | Very high | 84.5 | Confident | 42 Ų | 42 | 79.7 Ų | 79.7 | 18% | 0.183 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -51.1 | -52 | 179.5 | -55.5 | -178.8 | -62.8 | -75.1 | 0 | 113.2 | V25 G27 L28 L36 L37 | V25-K33 HydrophobicContact CG1-CB 4.22Å; V25-K33 HydrophobicContact CG1-CD 4.48Å; V25-K33 HydrophobicContact CG1-CG 4.14Å; G27-K33 WeakPolarHBondContact O-CE 3.36Å; G27-K33 PolarHBondContact O-NZ 3.06Å; L28-K33 PolarHBondContact O-NZ 3.02Å; K33-L36 WeakPolarHBondContact O-CB 3.23Å; K33-L36 PolarHBondContact O-N 3.45Å; K33-L37 WeakPolarHBondContact O-CG 3.48Å; K33-L37 PolarHBondContact O-N 3.4Å |
| 34 | T | 86.6 | Confident | 84.2 | Confident | 38 Ų | 38 | 82 Ų | 82 | 23% | 0.233 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 179.9 | -49.4 | 0 | 0 | 0 | 0 | 111.5 | G32 L36 L37 Y38 T48 T51 | G32-T34 PolarHBondContact O-N 3.27Å; T34-L36 VanDerWaalsContact C-N 3.31Å; T34-L36 PolarHBondContact O-N 3.16Å; T34-L37 PolarHBondContact O-N 3.48Å; T34-Y38 HydrophobicContact CG2-CD2 4.25Å; T34-Y38 HydrophobicContact CG2-CE1 4.4Å; T34-Y38 HydrophobicContact CG2-CE2 3.93Å; T34-Y38 PolarHBondContact O-N 3.09Å; T34-T48 HydrophobicContact CG2-CG2 3.93Å; T34-T51 HydrophobicContact CG2-CG2 4.08Å |
| 35 | S | 89.1 | Confident | 84 | Confident | 9 Ų | 9 | 80.8 Ų | 80.8 | 6% | 0.063 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 176.3 | -59 | 0 | 0 | 0 | 0 | 111.9 | G32 R39 T48 | G32-S35 PolarHBondContact O-N 3.19Å; S35-R39 VanDerWaalsContact O-CB 3.26Å; S35-R39 WeakPolarHBondContact O-CB 3.19Å; S35-R39 PolarHBondContact O-N 3.1Å; S35-T48 WeakPolarHBondContact OG-CG2 3.49Å; S35-T48 PolarHBondContact OG-OG1 3.28Å |
| 36 | L | 87.3 | Confident | 83.7 | Confident | 13 Ų | 13 | 79.9 Ų | 79.9 | 7% | 0.068 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 172.9 | -72.7 | 168.6 | 0 | 0 | 0 | 111.4 | G32 K33 T34 Y38 R39 L40 L75 A112 L118 | G32-L36 WeakPolarHBondContact O-CB 3.39Å; G32-L36 VanDerWaalsContact O-CG 3.3Å; G32-L36 WeakPolarHBondContact O-CG 2.95Å; G32-L36 PolarHBondContact O-N 3.08Å; K33-L36 WeakPolarHBondContact O-CB 3.23Å; K33-L36 PolarHBondContact O-N 3.45Å; T34-L36 VanDerWaalsContact C-N 3.31Å; T34-L36 PolarHBondContact O-N 3.16Å; L36-Y38 VanDerWaalsContact C-N 3.34Å; L36-Y38 PolarHBondContact O-N 2.74Å; L36-R39 PolarHBondContact O-N 2.92Å; L36-L40 VanDerWaalsContact O-CG 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.37Å; L36-L40 PolarHBondContact O-N 3.17Å; L36-L75 HydrophobicContact CD1-CD1 3.94Å; L36-L75 HydrophobicContact CD2-CD1 4.39Å; L36-A112 HydrophobicContact CD2-CB 3.75Å; L36-A112 HydrophobicContact CG-CB 4Å; L36-L118 HydrophobicContact CD2-CD1 4.1Å; L36-L118 HydrophobicContact CD2-CD2 3.29Å; L36-L118 HydrophobicContact CD2-CG 4.33Å |
| 37 | L | 84.6 | Confident | 83.2 | Confident | 91 Ų | 91 | 83.2 Ų | 83.2 | 48% | 0.476 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 178.4 | -70.5 | 178 | 0 | 0 | 0 | 112.3 | V25 K33 T34 L40 K41 | V25-L37 HydrophobicContact CG2-CD2 4.47Å; K33-L37 WeakPolarHBondContact O-CG 3.48Å; K33-L37 PolarHBondContact O-N 3.4Å; T34-L37 PolarHBondContact O-N 3.48Å; L37-L40 PolarHBondContact O-N 2.72Å; L37-K41 VanDerWaalsContact O-CB 3.3Å; L37-K41 WeakPolarHBondContact O-CB 3.41Å; L37-K41 PolarHBondContact O-N 3.17Å |
| 38 | Y | 83.8 | Confident | 82.7 | Confident | 100 Ų | 100 | 84 Ų | 84 | 39% | 0.392 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 174.2 | -72.6 | -10.4 | 0 | 0 | 0 | 111.8 | T34 L36 L40 K41 L42 V46 T48 | T34-Y38 HydrophobicContact CG2-CD2 4.25Å; T34-Y38 HydrophobicContact CG2-CE1 4.4Å; T34-Y38 HydrophobicContact CG2-CE2 3.93Å; T34-Y38 PolarHBondContact O-N 3.09Å; L36-Y38 VanDerWaalsContact C-N 3.34Å; L36-Y38 PolarHBondContact O-N 2.74Å; Y38-L40 VanDerWaalsContact C-N 3.29Å; Y38-L40 PolarHBondContact O-N 3.15Å; Y38-K41 PolarHBondContact O-N 3.41Å; Y38-L42 HydrophobicContact CG-CD1 4.49Å; Y38-L42 WeakPolarHBondContact O-CA 3.27Å; Y38-L42 VanDerWaalsContact O-CB 3.28Å; Y38-L42 WeakPolarHBondContact O-CB 3.38Å; Y38-L42 PolarHBondContact O-N 3.06Å; Y38-V46 HydrophobicContact CD2-CB 3.87Å; Y38-V46 HydrophobicContact CD2-CG1 4.17Å; Y38-V46 HydrophobicContact CD2-CG2 4.45Å; Y38-V46 HydrophobicContact CE2-CG1 4.4Å; Y38-T48 HydrophobicContact CD2-CG2 4.13Å; Y38-T48 HydrophobicContact CE2-CG2 4.23Å |
| 39 | R | 86.5 | Confident | 82.1 | Confident | 44 Ų | 44 | 83.8 Ų | 83.8 | 17% | 0.166 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -58.6 | -41.9 | 174.5 | 175.2 | 55.4 | 73 | 159 | 7.6 | 111.8 | S35 L36 K43 E44 F45 A112 V113 L118 | S35-R39 VanDerWaalsContact O-CB 3.26Å; S35-R39 WeakPolarHBondContact O-CB 3.19Å; S35-R39 PolarHBondContact O-N 3.1Å; L36-R39 PolarHBondContact O-N 2.92Å; R39-K43 PolarHBondContact NH1-O 3.17Å; R39-K43 WeakPolarHBondContact O-CA 3.44Å; R39-K43 PolarHBondContact O-N 3.23Å; R39-E44 WeakPolarHBondContact CA-O 3.41Å; R39-F45 VanDerWaalsContact NH2-CB 3.33Å; R39-A112 PolarHBondContact NE-O 2.82Å; R39-A112 VanDerWaalsContact NE-O 3.15Å; R39-V113 VanDerWaalsContact NH2-C 3.31Å; R39-V113 PolarHBondContact NH2-O 3.19Å; R39-L118 HydrophobicContact CB-CD1 4.24Å; R39-L118 HydrophobicContact CG-CD1 3.43Å; R39-L118 VanDerWaalsContact CG-CD1 3.43Å |
| 40 | L | 78.3 | Confident | 81.5 | Confident | 82 Ų | 82 | 82.3 Ų | 82.3 | 43% | 0.429 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.6 | -40.1 | 177.5 | -68.3 | 174 | 0 | 0 | 0 | 112.7 | L36 L37 Y38 L118 L122 | L36-L40 VanDerWaalsContact O-CG 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.37Å; L36-L40 PolarHBondContact O-N 3.17Å; L37-L40 PolarHBondContact O-N 2.72Å; Y38-L40 VanDerWaalsContact C-N 3.29Å; Y38-L40 PolarHBondContact O-N 3.15Å; L40-L118 HydrophobicContact CD2-CB 4.46Å; L40-L118 HydrophobicContact CD2-CD1 4.43Å; L40-L122 HydrophobicContact CD1-CD1 4.15Å; L40-L122 HydrophobicContact CD2-CD1 3.52Å; L40-L122 HydrophobicContact CG-CD1 4.5Å |
| 41 | K | 73.7 | Confident | 80.6 | Confident | 175 Ų | 175 | 83 Ų | 83 | 76% | 0.761 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -78.6 | -44.4 | -175.9 | -175.2 | 175.7 | -179.4 | 179.6 | 0 | 113.1 | L37 Y38 | L37-K41 VanDerWaalsContact O-CB 3.3Å; L37-K41 WeakPolarHBondContact O-CB 3.41Å; L37-K41 PolarHBondContact O-N 3.17Å; Y38-K41 PolarHBondContact O-N 3.41Å |
| 42 | L | 80.1 | Confident | 79.1 | Confident | 86 Ų | 86 | 91.7 Ų | 91.7 | 45% | 0.45 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -100.5 | -11.7 | -170.7 | -54.2 | 177.8 | 0 | 0 | 0 | 112.1 | Y38 E44 V46 | Y38-L42 HydrophobicContact CG-CD1 4.49Å; Y38-L42 WeakPolarHBondContact O-CA 3.27Å; Y38-L42 VanDerWaalsContact O-CB 3.28Å; Y38-L42 WeakPolarHBondContact O-CB 3.38Å; Y38-L42 PolarHBondContact O-N 3.06Å; L42-E44 PolarHBondContact O-N 3.08Å; L42-V46 HydrophobicContact CD1-CG2 3.9Å |
| 43 | K | 77.8 | Confident | 77.1 | Confident | 174 Ų | 174 | 94 Ų | 94 | 76% | 0.757 | 47% | 0.474 | S | S | * | . | S | Bend | trans | 59.1 | 6.9 | -170.7 | -59 | -175.2 | 177.8 | -178.2 | 0 | 114.4 | R39 | R39-K43 PolarHBondContact NH1-O 3.17Å; R39-K43 WeakPolarHBondContact O-CA 3.44Å; R39-K43 PolarHBondContact O-N 3.23Å |
| 44 | E | 75.1 | Confident | 74.8 | Confident | 135 Ų | 135 | 99 Ų | 99 | 63% | 0.631 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -121.3 | 153.6 | 179.6 | -67.9 | -177.9 | 168.8 | 0 | 0 | 111 | R39 L42 | R39-E44 WeakPolarHBondContact CA-O 3.41Å; L42-E44 PolarHBondContact O-N 3.08Å |
| 45 | F | 81.2 | Confident | 72.4 | Confident | 81 Ų | 81 | 104.5 Ų | 104.5 | 36% | 0.355 | 52% | 0.524 | S | S | . | . | trans | -84.7 | 124.6 | 170.8 | 175.6 | -108.4 | 0 | 0 | 0 | 110.1 | R39 K47 A112 V113 | R39-F45 VanDerWaalsContact NH2-CB 3.33Å; F45-K47 HydrophobicContact CE1-CB 4.29Å; F45-A112 WeakPolarHBondContact CD2-O 3.3Å; F45-V113 WeakPolarHBondContact CB-O 3.35Å; F45-V113 HydrophobicContact CD1-CG1 4.49Å; F45-V113 HydrophobicContact CD2-CB 4.48Å; F45-V113 HydrophobicContact CD2-CG2 4.3Å; F45-V113 HydrophobicContact CE2-CG2 3.91Å; F45-V113 HydrophobicContact CZ-CG2 4.03Å | ||
| 46 | V | 78.8 | Confident | 69.9 | Low | 54 Ų | 54 | 108 Ų | 108 | 33% | 0.327 | 55% | 0.545 | S | S | . | . | trans | -110.6 | 121 | 171.6 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | Y38 L42 T48 | Y38-V46 HydrophobicContact CD2-CB 3.87Å; Y38-V46 HydrophobicContact CD2-CG1 4.17Å; Y38-V46 HydrophobicContact CD2-CG2 4.45Å; Y38-V46 HydrophobicContact CE2-CG1 4.4Å; L42-V46 HydrophobicContact CD1-CG2 3.9Å; V46-T48 PolarHBondContact O-N 3.17Å; V46-T48 VanDerWaalsContact O-N 3.15Å | ||
| 47 | K | 78.2 | Confident | 67.2 | Low | 186 Ų | 186 | 114.7 Ų | 114.7 | 81% | 0.809 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 117.8 | 173.1 | -173.2 | 176.1 | -177.7 | 177.7 | 0 | 108.3 | F45 | F45-K47 HydrophobicContact CE1-CB 4.29Š|
| 48 | T | 74.4 | Confident | 64.7 | Low | 53 Ų | 53 | 120.2 Ų | 120.2 | 33% | 0.325 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -87.6 | 142.5 | -178 | 51.3 | 0 | 0 | 0 | 0 | 110.3 | T34 S35 Y38 V46 | T34-T48 HydrophobicContact CG2-CG2 3.93Å; S35-T48 WeakPolarHBondContact OG-CG2 3.49Å; S35-T48 PolarHBondContact OG-OG1 3.28Å; Y38-T48 HydrophobicContact CD2-CG2 4.13Å; Y38-T48 HydrophobicContact CE2-CG2 4.23Å; V46-T48 PolarHBondContact O-N 3.17Å; V46-T48 VanDerWaalsContact O-N 3.15Å |
| 49 | I | 74.6 | Confident | 62.5 | Low | 144 Ų | 144 | 120 Ų | 120 | 74% | 0.738 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 147.8 | 162.4 | -61 | 171.9 | 0 | 0 | 0 | 106.2 | T51 | I49-T51 PolarHBondContact O-N 3.46Š|
| 50 | P | 70.3 | Confident | 60.3 | Low | 104 Ų | 104 | 124 Ų | 124 | 68% | 0.675 | 62% | 0.619 | S | S | * | * | trans | -46.4 | 115.2 | 172.6 | -28.8 | 35 | 0 | 0 | 0 | 110.3 | K52 | P50-K52 PolarHBondContact O-N 3.1Å; P50-K52 VanDerWaalsContact O-N 3.07Å | ||
| 51 | T | 65.7 | Low | 59.1 | Low | 79 Ų | 79 | 123 Ų | 123 | 49% | 0.485 | 61% | 0.613 | S | S | . | * | trans | -70.8 | 107.8 | -173.9 | 47.4 | 0 | 0 | 0 | 0 | 108.6 | T34 I49 G53 | T34-T51 HydrophobicContact CG2-CG2 4.08Å; I49-T51 PolarHBondContact O-N 3.46Å; T51-G53 PolarHBondContact O-N 2.71Å; T51-G53 VanDerWaalsContact O-N 3.08Å | ||
| 52 | K | 56.1 | Low | 57.9 | Low | 220 Ų | 220 | 118.1 Ų | 118.1 | 96% | 0.957 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -69.7 | 101.1 | 165.8 | -84.1 | -171.8 | 176.1 | -178.7 | 0 | 108.2 | P50 | P50-K52 PolarHBondContact O-N 3.1Å; P50-K52 VanDerWaalsContact O-N 3.07Å |
| 53 | G | 46.7 | Very low | 56.3 | Low | 65 Ų | 65 | 123.2 Ų | 123.2 | 67% | 0.67 | 61% | 0.612 | S | S | * | * | trans | 148.5 | 90.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | T51 | T51-G53 PolarHBondContact O-N 2.71Å; T51-G53 VanDerWaalsContact O-N 3.08Å | ||
| 54 | F | 41.4 | Very low | 55.1 | Low | 145 Ų | 145 | 117.6 Ų | 117.6 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | trans | -129.1 | 98.1 | 173.8 | -166 | -123.3 | 0 | 0 | 0 | 107.7 | T56 | F54-T56 HydrophobicContact CD1-CG2 4.37Å; F54-T56 WeakPolarHBondContact CD1-OG1 3.3Å; F54-T56 HydrophobicContact CE1-CG2 3.52Å; F54-T56 WeakPolarHBondContact CE1-OG1 3.43Å; F54-T56 HydrophobicContact CZ-CG2 3.83Å | ||
| 55 | N | 36.7 | Very low | 54.4 | Low | 154 Ų | 154 | 115.8 Ų | 115.8 | 82% | 0.824 | 59% | 0.594 | S | S | * | * | trans | -85.5 | 107.9 | 162.1 | -148.7 | 13.3 | 0 | 0 | 0 | 106.2 | ||||
| 56 | T | 35.8 | Very low | 53.3 | Low | 84 Ų | 84 | 119 Ų | 119 | 52% | 0.515 | 61% | 0.611 | S | S | . | * | trans | -96.7 | 114.9 | 179.4 | -33.7 | 0 | 0 | 0 | 0 | 108.1 | F54 | F54-T56 HydrophobicContact CD1-CG2 4.37Å; F54-T56 WeakPolarHBondContact CD1-OG1 3.3Å; F54-T56 HydrophobicContact CE1-CG2 3.52Å; F54-T56 WeakPolarHBondContact CE1-OG1 3.43Å; F54-T56 HydrophobicContact CZ-CG2 3.83Å | ||
| 57 | E | 30.8 | Very low | 52.6 | Low | 153 Ų | 153 | 118.9 Ų | 118.9 | 72% | 0.715 | 61% | 0.608 | S | S | * | * | trans | -103.8 | 130.9 | 157.9 | -72.3 | -170.5 | 178.3 | 0 | 0 | 108.9 | I59 | E57-I59 VanDerWaalsContact C-N 3.33Å; E57-I59 PolarHBondContact O-N 2.95Å | ||
| 58 | K | 33.3 | Very low | 52.3 | Low | 206 Ų | 206 | 115.8 Ų | 115.8 | 90% | 0.896 | 60% | 0.597 | S | S | * | * | trans | -72.5 | 89 | 174.2 | -73.5 | -178.7 | -179.1 | 174.9 | 0 | 108.8 | K60 | K58-K60 PolarHBondContact O-N 3.48Š| ||
| 59 | I | 36.6 | Very low | 52.6 | Low | 96 Ų | 96 | 113.3 Ų | 113.3 | 49% | 0.492 | 58% | 0.582 | S | S | . | * | trans | -82.9 | 104.5 | 171 | -55.8 | 175.9 | 0 | 0 | 0 | 108.1 | E57 I61 | E57-I59 VanDerWaalsContact C-N 3.33Å; E57-I59 PolarHBondContact O-N 2.95Å; I59-I61 PolarHBondContact O-N 3.44Å; I59-I61 VanDerWaalsContact O-N 3.09Å | ||
| 60 | K | 41.3 | Very low | 53.3 | Low | 127 Ų | 127 | 108.8 Ų | 108.8 | 55% | 0.552 | 56% | 0.56 | S | S | * | * | trans | -74.2 | 94.6 | 166.7 | -85.3 | 169.6 | 169.9 | 174.8 | 0 | 108.4 | K58 T62 R63 | K58-K60 PolarHBondContact O-N 3.48Å; K60-T62 PolarHBondContact O-N 3.33Å; K60-R63 HydrophobicContact CB-CB 4.22Å; K60-R63 HydrophobicContact CB-CG 4.24Å; K60-R63 HydrophobicContact CD-CG 4.29Å | ||
| 61 | I | 52.1 | Low | 54.4 | Low | 61 Ų | 61 | 104.9 Ų | 104.9 | 31% | 0.313 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -22.8 | -172.1 | -52.9 | 175.1 | 0 | 0 | 0 | 113.1 | I26 I59 N67 | I26-I61 HydrophobicContact CD1-CD1 3.63Å; I59-I61 PolarHBondContact O-N 3.44Å; I59-I61 VanDerWaalsContact O-N 3.09Å; I61-N67 WeakPolarHBondContact O-CB 3.36Å |
| 62 | T | 49.7 | Very low | 55.7 | Low | 74 Ų | 74 | 102.7 Ų | 102.7 | 45% | 0.454 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 2.7 | -169.6 | 48.2 | 0 | 0 | 0 | 0 | 115.5 | K60 | K60-T62 PolarHBondContact O-N 3.33Š|
| 63 | R | 45.8 | Very low | 57.6 | Low | 193 Ų | 193 | 93.9 Ų | 93.9 | 73% | 0.728 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -21.5 | -176.9 | -61 | -153.3 | -167.6 | -166.8 | -4.8 | 114.9 | K60 | K60-R63 HydrophobicContact CB-CB 4.22Å; K60-R63 HydrophobicContact CB-CG 4.24Å; K60-R63 HydrophobicContact CD-CG 4.29Å |
| 64 | T | 51.8 | Low | 59.9 | Low | 55 Ų | 55 | 92 Ų | 92 | 34% | 0.337 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -90.4 | 141.8 | 174.2 | 61.5 | 0 | 0 | 0 | 0 | 109.8 | E66 N67 Q68 | T64-E66 PolarHBondContact O-N 3.14Å; T64-E66 VanDerWaalsContact O-N 3.16Å; T64-N67 PolarHBondContact O-N 3.03Å; T64-N67 VanDerWaalsContact O-N 3.1Å; T64-N67 PolarHBondContact OG1-ND2 3.08Å; T64-Q68 PolarHBondContact O-N 3.24Å |
| 65 | S | 60.6 | Low | 62.5 | Low | 97 Ų | 97 | 87.6 Ų | 87.6 | 68% | 0.678 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -56.3 | -28.1 | 176.3 | 45.8 | 0 | 0 | 0 | 0 | 112.4 | N67 | S65-N67 VanDerWaalsContact C-N 3.34Å; S65-N67 PolarHBondContact O-N 3.4Å |
| 66 | E | 59.8 | Low | 65.3 | Low | 150 Ų | 150 | 80.5 Ų | 80.5 | 70% | 0.701 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -67.7 | -30.6 | 178.4 | -62.2 | 130.8 | -177.6 | 0 | 0 | 113.3 | T64 | T64-E66 PolarHBondContact O-N 3.14Å; T64-E66 VanDerWaalsContact O-N 3.16Å |
| 67 | N | 63.7 | Low | 68.1 | Low | 51 Ų | 51 | 77.9 Ų | 77.9 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -103.1 | 1.3 | -174.3 | -62.5 | -27.5 | 0 | 0 | 0 | 113.7 | I61 T64 S65 G69 V70 | I61-N67 WeakPolarHBondContact O-CB 3.36Å; T64-N67 PolarHBondContact O-N 3.03Å; T64-N67 VanDerWaalsContact O-N 3.1Å; T64-N67 PolarHBondContact OG1-ND2 3.08Å; S65-N67 VanDerWaalsContact C-N 3.34Å; S65-N67 PolarHBondContact O-N 3.4Å; N67-G69 PolarHBondContact O-N 3.22Å; N67-G69 VanDerWaalsContact O-N 3.17Å; N67-V70 HydrophobicContact CB-CG2 4.21Å; N67-V70 WeakPolarHBondContact O-CB 3.33Å; N67-V70 VanDerWaalsContact O-CG2 3.23Å; N67-V70 WeakPolarHBondContact O-CG2 3.17Å; N67-V70 PolarHBondContact O-N 3.29Å; N67-V70 VanDerWaalsContact O-N 3.15Å |
| 68 | Q | 72.3 | Confident | 71.1 | Confident | 121 Ų | 121 | 74.5 Ų | 74.5 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 121.3 | 179.4 | -76.1 | -168.1 | -9.8 | 0 | 0 | 112 | T64 V70 R132 | T64-Q68 PolarHBondContact O-N 3.24Å; Q68-V70 VanDerWaalsContact C-N 3.34Å; Q68-R132 PolarHBondContact O-NH1 3.47Å; Q68-R132 PolarHBondContact O-NH2 3.39Å |
| 69 | G | 79.9 | Confident | 74.2 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 11.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N67 S102 R132 | N67-G69 PolarHBondContact O-N 3.22Å; N67-G69 VanDerWaalsContact O-N 3.17Å; G69-S102 WeakPolarHBondContact CA-O 3.17Å; G69-R132 WeakPolarHBondContact O-CD 3.31Å; G69-R132 VanDerWaalsContact O-CZ 3.3Å; G69-R132 PolarHBondContact O-NH1 2.92Å |
| 70 | V | 88.7 | Confident | 76.9 | Confident | 48 Ų | 48 | 66.6 Ų | 66.6 | 29% | 0.291 | 34% | 0.338 | S | S | . | . | trans | -52.9 | 132.7 | 175 | 166 | 0 | 0 | 0 | 0 | 108.8 | N67 Q68 T103 | N67-V70 HydrophobicContact CB-CG2 4.21Å; N67-V70 WeakPolarHBondContact O-CB 3.33Å; N67-V70 VanDerWaalsContact O-CG2 3.23Å; N67-V70 WeakPolarHBondContact O-CG2 3.17Å; N67-V70 PolarHBondContact O-N 3.29Å; N67-V70 VanDerWaalsContact O-N 3.15Å; Q68-V70 VanDerWaalsContact C-N 3.34Å; V70-T103 WeakPolarHBondContact O-CG2 3.15Å | ||
| 71 | P | 92.7 | Very high | 79.5 | Confident | 22 Ų | 22 | 64.5 Ų | 64.5 | 14% | 0.143 | 33% | 0.332 | C | S | . | . | trans | -64.9 | 139.9 | -177.3 | -22.1 | 37.1 | 0 | 0 | 0 | 111.6 | L104 L125 M128 I129 R132 | P71-L104 CarbonylContact C-O 3.57Å; P71-L104 VanDerWaalsContact CA-O 3.31Å; P71-L104 WeakPolarHBondContact CA-O 3.45Å; P71-L125 HydrophobicContact CB-CD1 4.24Å; P71-M128 HydrophobicContact CB-CB 3.73Å; P71-M128 HydrophobicContact CB-CE 4.4Å; P71-M128 HydrophobicContact CG-CB 4.24Å; P71-I129 HydrophobicContact CB-CG1 4.46Å; P71-I129 HydrophobicContact CG-CG1 4.02Å; P71-R132 VanDerWaalsContact CD-CD 3.48Å; P71-R132 HydrophobicContact CG-CB 4.27Å | ||
| 72 | V | 93.8 | Very high | 81.4 | Confident | 33 Ų | 33 | 67.2 Ų | 67.2 | 20% | 0.2 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 113.6 | -177.8 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | V74 T103 L104 H105 H106 | V72-V74 HydrophobicContact CG1-CG2 4.13Å; V72-T103 HydrophobicContact CG2-CG2 3.87Å; V72-L104 PolarHBondContact N-O 2.95Å; V72-H105 HydrophobicContact CB-CB 4.37Å; V72-H105 WeakPolarHBondContact O-CA 3.43Å; V72-H106 PolarHBondContact O-N 3.3Å; V72-H106 VanDerWaalsContact O-N 3.08Å |
| 73 | L | 95.3 | Very high | 83.6 | Confident | 35 Ų | 35 | 68.7 Ų | 68.7 | 18% | 0.183 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122 | 166.3 | 176.2 | 69.4 | 0 | 0 | 0 | 108.9 | L75 H106 Q108 G121 L125 | L73-L75 HydrophobicContact CD2-CD2 3.83Å; L73-L75 HydrophobicContact CD2-CG 4.11Å; L73-L75 HydrophobicContact CG-CD2 4.14Å; L73-L75 HydrophobicContact CG-CG 4.29Å; L73-H106 HydrophobicContact CD1-CB 4.27Å; L73-Q108 HydrophobicContact CD1-CB 4.06Å; L73-G121 WeakPolarHBondContact CD2-O 3.14Å; L73-L125 HydrophobicContact CB-CB 4.2Å; L73-L125 HydrophobicContact CB-CD1 4.11Å; L73-L125 HydrophobicContact CB-CD2 4.43Å; L73-L125 HydrophobicContact CB-CG 4.48Å; L73-L125 HydrophobicContact CD2-CB 4.11Å; L73-L125 HydrophobicContact CD2-CD2 4.4Å |
| 74 | V | 95.9 | Very high | 85.9 | Confident | 25 Ų | 25 | 61.1 Ų | 61.1 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 113.4 | 170.4 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | V72 A76 V90 L94 V96 H106 V107 Q108 | V72-V74 HydrophobicContact CG1-CG2 4.13Å; V74-A76 PolarHBondContact O-N 3.43Å; V74-V90 HydrophobicContact CG1-CG1 4.13Å; V74-L94 HydrophobicContact CG1-CD1 3.67Å; V74-V96 HydrophobicContact CG2-CG2 4.33Å; V74-H106 PolarHBondContact N-O 2.99Å; V74-V107 HydrophobicContact CB-CB 4.38Å; V74-V107 HydrophobicContact CB-CG1 4.1Å; V74-V107 HydrophobicContact CB-CG2 4.11Å; V74-V107 HydrophobicContact CG1-CG1 4.01Å; V74-V107 CarbonylContact O-C 3.59Å; V74-V107 WeakPolarHBondContact O-CA 3.19Å; V74-Q108 PolarHBondContact O-N 3.21Å |
| 75 | L | 96.3 | Very high | 88 | Confident | 54 Ų | 54 | 62.6 Ų | 62.6 | 28% | 0.283 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 104.1 | 171.6 | -69.6 | 179.4 | 0 | 0 | 0 | 108.9 | L36 L73 N77 Q108 C110 L118 | L36-L75 HydrophobicContact CD1-CD1 3.94Å; L36-L75 HydrophobicContact CD2-CD1 4.39Å; L73-L75 HydrophobicContact CD2-CD2 3.83Å; L73-L75 HydrophobicContact CD2-CG 4.11Å; L73-L75 HydrophobicContact CG-CD2 4.14Å; L73-L75 HydrophobicContact CG-CG 4.29Å; L75-N77 PolarHBondContact O-N 3.41Å; L75-Q108 CarbonylContact C-O 3.43Å; L75-Q108 HydrophobicContact CD2-CB 4.06Å; L75-Q108 HydrophobicContact CD2-CG 4.27Å; L75-C110 HydrophobicContact CD2-CB 4.45Å; L75-L118 HydrophobicContact CD1-CD2 4.36Å |
| 76 | A | 95.8 | Very high | 89.7 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 80.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108 | V74 Q79 V87 V90 V107 Q108 C110 | V74-A76 PolarHBondContact O-N 3.43Å; A76-Q79 WeakPolarHBondContact O-CG 3.34Å; A76-V87 HydrophobicContact CB-CG2 4.45Å; A76-V90 HydrophobicContact CB-CB 4.33Å; A76-V90 HydrophobicContact CB-CG1 4.2Å; A76-V90 HydrophobicContact CB-CG2 4.05Å; A76-V107 HydrophobicContact CB-CG1 4.23Å; A76-Q108 PolarHBondContact N-O 2.88Å; A76-C110 PolarHBondContact O-N 2.86Å |
| 77 | N | 93.6 | Very high | 91.4 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 15% | 0.15 | 32% | 0.324 | C | S | . | . | trans | -78.6 | 163.8 | -173 | -169.1 | 29.6 | 0 | 0 | 0 | 112.1 | A31 L75 C110 A112 | A31-N77 PolarHBondContact O-ND2 3.49Å; L75-N77 PolarHBondContact O-N 3.41Å; N77-C110 CarbonylContact C-O 3.58Å; N77-C110 WeakPolarHBondContact CA-O 3.45Å; N77-A112 PolarHBondContact OD1-N 3.08Å; N77-A112 VanDerWaalsContact OD1-N 3.13Å | ||
| 78 | K | 95.3 | Very high | 93 | Very high | 82 Ų | 82 | 56.9 Ų | 56.9 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | trans | 70.5 | 29.5 | -179.8 | -45.6 | -174.1 | -173.8 | -178.8 | 0 | 114.9 | A30 D80 L81 A84 C110 | A30-K78 WeakPolarHBondContact O-CE 3.29Å; A30-K78 PolarHBondContact O-NZ 3.28Å; K78-D80 WeakPolarHBondContact CA-OD1 3.48Å; K78-D80 PolarHBondContact O-N 3.49Å; K78-D80 VanDerWaalsContact O-N 3.11Å; K78-L81 HydrophobicContact CB-CD1 3.92Å; K78-L81 HydrophobicContact CB-CG 4.24Å; K78-L81 HydrophobicContact CD-CD1 4.01Å; K78-L81 WeakPolarHBondContact O-CB 3.42Å; K78-L81 PolarHBondContact O-N 2.95Å; K78-A84 WeakPolarHBondContact O-CB 3.47Å; K78-C110 PolarHBondContact N-O 2.88Å; K78-C110 VanDerWaalsContact N-O 3.11Å | ||
| 79 | Q | 96.9 | Very high | 94 | Very high | 69 Ų | 69 | 55.5 Ų | 55.5 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -4.5 | 178.6 | -64.1 | -73.2 | -60.2 | 0 | 0 | 113.2 | A76 L85 C110 | A76-Q79 WeakPolarHBondContact O-CG 3.34Å; Q79-L85 PolarHBondContact NE2-O 3.28Å; Q79-C110 PolarHBondContact N-O 3.02Å; Q79-C110 VanDerWaalsContact N-O 3.16Å |
| 80 | D | 94.7 | Very high | 94.7 | Very high | 68 Ų | 68 | 56.5 Ų | 56.5 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -18.6 | 165.5 | 55.3 | -69.6 | 0 | 0 | 0 | 113.3 | K78 S111 | K78-D80 WeakPolarHBondContact CA-OD1 3.48Å; K78-D80 PolarHBondContact O-N 3.49Å; K78-D80 VanDerWaalsContact O-N 3.11Å; D80-S111 WeakPolarHBondContact OD1-CB 3.27Å; D80-S111 PolarHBondContact OD1-OG 3.42Å |
| 81 | L | 94.3 | Very high | 94.8 | Very high | 83 Ų | 83 | 57.6 Ų | 57.6 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -91.9 | 133.1 | -179.2 | -57.7 | 179.2 | 0 | 0 | 0 | 111.6 | K78 S83 A84 | K78-L81 HydrophobicContact CB-CD1 3.92Å; K78-L81 HydrophobicContact CB-CG 4.24Å; K78-L81 HydrophobicContact CD-CD1 4.01Å; K78-L81 WeakPolarHBondContact O-CB 3.42Å; K78-L81 PolarHBondContact O-N 2.95Å; L81-S83 PolarHBondContact O-N 2.93Å; L81-S83 VanDerWaalsContact O-N 3.13Å; L81-A84 WeakPolarHBondContact O-CB 2.76Å; L81-A84 PolarHBondContact O-N 3.38Å |
| 82 | A | 93.6 | Very high | 94.7 | Very high | 117 Ų | 117 | 64.3 Ų | 64.3 | 97% | 0.967 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -23 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A84 | A82-A84 VanDerWaalsContact C-N 3.31Š|
| 83 | S | 94.9 | Very high | 94.7 | Very high | 106 Ų | 106 | 68 Ų | 68 | 74% | 0.741 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 2.1 | 176.7 | 65.8 | 0 | 0 | 0 | 0 | 113.6 | L81 | L81-S83 PolarHBondContact O-N 2.93Å; L81-S83 VanDerWaalsContact O-N 3.13Å |
| 84 | A | 94.4 | Very high | 94.4 | Very high | 33 Ų | 33 | 71.2 Ų | 71.2 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -70 | 135.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | K78 L81 A82 | K78-A84 WeakPolarHBondContact O-CB 3.47Å; L81-A84 WeakPolarHBondContact O-CB 2.76Å; L81-A84 PolarHBondContact O-N 3.38Å; A82-A84 VanDerWaalsContact C-N 3.31Å |
| 85 | L | 95.2 | Very high | 94.3 | Very high | 87 Ų | 87 | 71.3 Ų | 71.3 | 46% | 0.455 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 143.3 | 168.5 | -67.5 | -178.6 | 0 | 0 | 0 | 109.9 | Q79 E89 V90 | Q79-L85 PolarHBondContact NE2-O 3.28Å; L85-E89 HydrophobicContact CB-CB 4.14Å; L85-E89 HydrophobicContact CD2-CB 4.39Å; L85-V90 HydrophobicContact CB-CG2 3.86Å |
| 86 | S | 96.8 | Very high | 93.9 | Very high | 49 Ų | 49 | 69 Ų | 69 | 34% | 0.343 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 159.8 | 170.9 | 67.6 | 0 | 0 | 0 | 0 | 111.1 | S88 E89 V90 | S86-S88 PolarHBondContact O-N 2.98Å; S86-E89 WeakPolarHBondContact CB-OE2 3.31Å; S86-E89 PolarHBondContact N-OE2 3.09Å; S86-E89 PolarHBondContact O-N 3.41Å; S86-E89 VanDerWaalsContact O-N 3.15Å; S86-E89 VanDerWaalsContact OG-CD 3.3Å; S86-E89 VanDerWaalsContact OG-CG 3.28Å; S86-E89 WeakPolarHBondContact OG-CG 2.8Å; S86-E89 PolarHBondContact OG-N 2.9Å; S86-E89 PolarHBondContact OG-OE2 2.83Å; S86-V90 WeakPolarHBondContact O-CG2 3.28Å; S86-V90 PolarHBondContact O-N 2.69Å |
| 87 | V | 96.2 | Very high | 93.5 | Very high | 42 Ų | 42 | 74.6 Ų | 74.6 | 26% | 0.255 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -55 | -41.5 | 177.1 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | A76 V90 E91 V107 | A76-V87 HydrophobicContact CB-CG2 4.45Å; V87-V90 PolarHBondContact O-N 2.83Å; V87-E91 WeakPolarHBondContact O-CB 3.42Å; V87-E91 PolarHBondContact O-N 3.34Å; V87-V107 HydrophobicContact CG1-CB 3.88Å; V87-V107 HydrophobicContact CG1-CG1 3.74Å |
| 88 | S | 95.9 | Very high | 93.4 | Very high | 86 Ų | 86 | 80.3 Ų | 80.3 | 60% | 0.601 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65.7 | -40 | 179.4 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | S86 E91 K92 | S86-S88 PolarHBondContact O-N 2.98Å; S88-E91 PolarHBondContact O-N 3.15Å; S88-K92 WeakPolarHBondContact O-CB 3.35Å; S88-K92 PolarHBondContact O-N 3.26Å |
| 89 | E | 95.1 | Very high | 93 | Very high | 93 Ų | 93 | 79 Ų | 79 | 44% | 0.435 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.4 | -40.5 | 175.5 | -70.8 | 165.5 | 130.1 | 0 | 0 | 111.7 | L85 S86 E91 K92 V93 | L85-E89 HydrophobicContact CB-CB 4.14Å; L85-E89 HydrophobicContact CD2-CB 4.39Å; S86-E89 WeakPolarHBondContact CB-OE2 3.31Å; S86-E89 PolarHBondContact N-OE2 3.09Å; S86-E89 PolarHBondContact O-N 3.41Å; S86-E89 VanDerWaalsContact O-N 3.15Å; S86-E89 VanDerWaalsContact OG-CD 3.3Å; S86-E89 VanDerWaalsContact OG-CG 3.28Å; S86-E89 WeakPolarHBondContact OG-CG 2.8Å; S86-E89 PolarHBondContact OG-N 2.9Å; S86-E89 PolarHBondContact OG-OE2 2.83Å; E89-E91 VanDerWaalsContact C-N 3.34Å; E89-E91 PolarHBondContact O-N 3.33Å; E89-K92 PolarHBondContact O-N 2.83Å; E89-V93 WeakPolarHBondContact O-CB 3.5Å; E89-V93 VanDerWaalsContact O-CG2 3.3Å; E89-V93 WeakPolarHBondContact O-CG2 3.45Å; E89-V93 PolarHBondContact O-N 3.47Å |
| 90 | V | 93.4 | Very high | 92.5 | Very high | 22 Ų | 22 | 80.3 Ų | 80.3 | 13% | 0.133 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 174.4 | 172 | 0 | 0 | 0 | 0 | 110.7 | V74 A76 L85 S86 V87 K92 V93 L94 V107 | V74-V90 HydrophobicContact CG1-CG1 4.13Å; A76-V90 HydrophobicContact CB-CB 4.33Å; A76-V90 HydrophobicContact CB-CG1 4.2Å; A76-V90 HydrophobicContact CB-CG2 4.05Å; L85-V90 HydrophobicContact CB-CG2 3.86Å; S86-V90 WeakPolarHBondContact O-CG2 3.28Å; S86-V90 PolarHBondContact O-N 2.69Å; V87-V90 PolarHBondContact O-N 2.83Å; V90-K92 VanDerWaalsContact C-N 3.3Å; V90-K92 PolarHBondContact O-N 2.96Å; V90-V93 PolarHBondContact O-N 3.19Å; V90-L94 HydrophobicContact CG1-CD1 3.7Å; V90-L94 HydrophobicContact CG1-CG 4.36Å; V90-L94 WeakPolarHBondContact O-CB 3.5Å; V90-L94 WeakPolarHBondContact O-CG 3.32Å; V90-L94 PolarHBondContact O-N 3.26Å; V90-V107 HydrophobicContact CG1-CG1 4.14Å |
| 91 | E | 91.9 | Very high | 92.1 | Very high | 70 Ų | 70 | 82.3 Ų | 82.3 | 33% | 0.327 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.1 | -42 | 177.7 | -167.7 | 177.3 | -178.2 | 0 | 0 | 112.1 | V87 S88 E89 A95 V96 V107 | V87-E91 WeakPolarHBondContact O-CB 3.42Å; V87-E91 PolarHBondContact O-N 3.34Å; S88-E91 PolarHBondContact O-N 3.15Å; E89-E91 VanDerWaalsContact C-N 3.34Å; E89-E91 PolarHBondContact O-N 3.33Å; E91-A95 PolarHBondContact O-N 3.03Å; E91-V96 HydrophobicContact CG-CB 3.82Å; E91-V96 HydrophobicContact CG-CG1 4.4Å; E91-V96 HydrophobicContact CG-CG2 4.21Å; E91-V96 PolarHBondContact O-N 2.94Å; E91-V96 VanDerWaalsContact O-N 3.08Å; E91-V107 HydrophobicContact CB-CG2 4.02Å; E91-V107 HydrophobicContact CG-CG2 3.94Å |
| 92 | K | 90.6 | Very high | 91.7 | Very high | 164 Ų | 164 | 80.8 Ų | 80.8 | 71% | 0.713 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67 | -50.9 | 177.5 | -175 | 179.2 | 179 | -178.6 | 0 | 112.2 | S88 E89 V90 L94 A95 | S88-K92 WeakPolarHBondContact O-CB 3.35Å; S88-K92 PolarHBondContact O-N 3.26Å; E89-K92 PolarHBondContact O-N 2.83Å; V90-K92 VanDerWaalsContact C-N 3.3Å; V90-K92 PolarHBondContact O-N 2.96Å; K92-L94 VanDerWaalsContact C-N 3.3Å; K92-L94 PolarHBondContact O-N 3.46Å; K92-A95 PolarHBondContact O-N 2.97Å |
| 93 | V | 92.5 | Very high | 91.6 | Very high | 109 Ų | 109 | 75.5 Ų | 75.5 | 66% | 0.661 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.6 | -35.1 | -176.5 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | E89 V90 A95 | E89-V93 WeakPolarHBondContact O-CB 3.5Å; E89-V93 VanDerWaalsContact O-CG2 3.3Å; E89-V93 WeakPolarHBondContact O-CG2 3.45Å; E89-V93 PolarHBondContact O-N 3.47Å; V90-V93 PolarHBondContact O-N 3.19Å; V93-A95 PolarHBondContact O-N 3.38Å |
| 94 | L | 89.9 | Confident | 91.6 | Very high | 103 Ų | 103 | 71.8 Ų | 71.8 | 54% | 0.539 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 0.8 | 176.4 | -65 | 179.1 | 0 | 0 | 0 | 113.5 | V74 V90 K92 V96 | V74-L94 HydrophobicContact CG1-CD1 3.67Å; V90-L94 HydrophobicContact CG1-CD1 3.7Å; V90-L94 HydrophobicContact CG1-CG 4.36Å; V90-L94 WeakPolarHBondContact O-CB 3.5Å; V90-L94 WeakPolarHBondContact O-CG 3.32Å; V90-L94 PolarHBondContact O-N 3.26Å; K92-L94 VanDerWaalsContact C-N 3.3Å; K92-L94 PolarHBondContact O-N 3.46Å; L94-V96 HydrophobicContact CB-CG2 3.81Å; L94-V96 PolarHBondContact O-N 3.46Å; L94-V96 VanDerWaalsContact O-N 3.17Å |
| 95 | A | 92.8 | Very high | 91.6 | Very high | 28 Ų | 28 | 73.7 Ų | 73.7 | 23% | 0.231 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 41.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E91 K92 V93 H97 E98 | E91-A95 PolarHBondContact O-N 3.03Å; K92-A95 PolarHBondContact O-N 2.97Å; V93-A95 PolarHBondContact O-N 3.38Å; A95-H97 PolarHBondContact O-N 3.35Å; A95-H97 VanDerWaalsContact O-N 3.17Å; A95-E98 HydrophobicContact CB-CB 4.44Å; A95-E98 HydrophobicContact CB-CG 4.05Å; A95-E98 WeakPolarHBondContact O-CB 3.19Å; A95-E98 PolarHBondContact O-N 2.94Å |
| 96 | V | 89 | Confident | 91.7 | Very high | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.024 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -60.6 | -31.7 | -174.4 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | V74 E91 L94 E98 L99 H105 V107 | V74-V96 HydrophobicContact CG2-CG2 4.33Å; E91-V96 HydrophobicContact CG-CB 3.82Å; E91-V96 HydrophobicContact CG-CG1 4.4Å; E91-V96 HydrophobicContact CG-CG2 4.21Å; E91-V96 PolarHBondContact O-N 2.94Å; E91-V96 VanDerWaalsContact O-N 3.08Å; L94-V96 HydrophobicContact CB-CG2 3.81Å; L94-V96 PolarHBondContact O-N 3.46Å; L94-V96 VanDerWaalsContact O-N 3.17Å; V96-E98 PolarHBondContact O-N 3.14Å; V96-L99 HydrophobicContact CG1-CD1 3.92Å; V96-L99 VanDerWaalsContact O-CB 3.27Å; V96-L99 WeakPolarHBondContact O-CB 3.47Å; V96-L99 WeakPolarHBondContact O-CG 3.48Å; V96-L99 PolarHBondContact O-N 3.31Å; V96-L99 VanDerWaalsContact O-N 3.1Å; V96-H105 HydrophobicContact CG1-CB 4.1Å; V96-H105 WeakPolarHBondContact CG1-CD2 3.39Å; V96-V107 HydrophobicContact CG1-CG2 4.35Å; V96-V107 HydrophobicContact CG2-CG2 4.24Å |
| 97 | H | 87 | Confident | 91.7 | Very high | 123 Ų | 123 | 70.3 Ų | 70.3 | 57% | 0.569 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -63.1 | -19.7 | 175.2 | 65.4 | -82.4 | 0 | 0 | 0 | 114 | A95 L99 | A95-H97 PolarHBondContact O-N 3.35Å; A95-H97 VanDerWaalsContact O-N 3.17Å; H97-L99 VanDerWaalsContact C-N 3.31Å |
| 98 | E | 90.2 | Very high | 91.8 | Very high | 148 Ų | 148 | 69.8 Ų | 69.8 | 69% | 0.692 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -85.1 | -4.3 | 176.4 | -59.5 | -174.4 | -172 | 0 | 0 | 112.9 | A95 V96 | A95-E98 HydrophobicContact CB-CB 4.44Å; A95-E98 HydrophobicContact CB-CG 4.05Å; A95-E98 WeakPolarHBondContact O-CB 3.19Å; A95-E98 PolarHBondContact O-N 2.94Å; V96-E98 PolarHBondContact O-N 3.14Å |
| 99 | L | 87.4 | Confident | 91.9 | Very high | 54 Ų | 54 | 67.9 Ų | 67.9 | 28% | 0.283 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -58.7 | 144.5 | 173 | -68.1 | 175.9 | 0 | 0 | 0 | 110.2 | V96 H97 A101 T103 H105 | V96-L99 HydrophobicContact CG1-CD1 3.92Å; V96-L99 VanDerWaalsContact O-CB 3.27Å; V96-L99 WeakPolarHBondContact O-CB 3.47Å; V96-L99 WeakPolarHBondContact O-CG 3.48Å; V96-L99 PolarHBondContact O-N 3.31Å; V96-L99 VanDerWaalsContact O-N 3.1Å; H97-L99 VanDerWaalsContact C-N 3.31Å; L99-A101 PolarHBondContact O-N 3.43Å; L99-T103 HydrophobicContact CB-CG2 4.38Å; L99-T103 HydrophobicContact CD1-CG2 4.29Å; L99-H105 HydrophobicContact CD1-CB 3.79Å |
| 100 | N | 87.2 | Confident | 91.9 | Very high | 98 Ų | 98 | 63.6 Ų | 63.6 | 52% | 0.524 | 35% | 0.347 | S | S | . | . | trans | -54.1 | 139.5 | 179.9 | 179.8 | -75.3 | 0 | 0 | 0 | 110.7 | S102 T103 | N100-S102 PolarHBondContact O-N 2.94Å; N100-S102 WeakPolarHBondContact OD1-CB 3.38Å; N100-S102 PolarHBondContact OD1-N 3.07Å; N100-S102 PolarHBondContact OD1-OG 2.79Å; N100-T103 WeakPolarHBondContact O-CA 3.22Å; N100-T103 WeakPolarHBondContact O-CB 3.45Å; N100-T103 PolarHBondContact O-N 3.29Å; N100-T103 PolarHBondContact O-OG1 2.98Å | ||
| 101 | A | 85.7 | Confident | 92 | Very high | 110 Ų | 110 | 62.7 Ų | 62.7 | 91% | 0.909 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -24 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L99 T103 | L99-A101 PolarHBondContact O-N 3.43Å; A101-T103 VanDerWaalsContact C-N 3.3Å |
| 102 | S | 87.1 | Confident | 92 | Very high | 51 Ų | 51 | 59.5 Ų | 59.5 | 36% | 0.357 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -9.5 | 174.2 | 68 | 0 | 0 | 0 | 0 | 114.4 | G69 N100 L104 | G69-S102 WeakPolarHBondContact CA-O 3.17Å; N100-S102 PolarHBondContact O-N 2.94Å; N100-S102 WeakPolarHBondContact OD1-CB 3.38Å; N100-S102 PolarHBondContact OD1-N 3.07Å; N100-S102 PolarHBondContact OD1-OG 2.79Å; S102-L104 PolarHBondContact O-N 2.93Å |
| 103 | T | 90.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | trans | -90.6 | 101.4 | -178.4 | -50 | 0 | 0 | 0 | 0 | 109.2 | V70 V72 L99 N100 A101 H105 | V70-T103 WeakPolarHBondContact O-CG2 3.15Å; V72-T103 HydrophobicContact CG2-CG2 3.87Å; L99-T103 HydrophobicContact CB-CG2 4.38Å; L99-T103 HydrophobicContact CD1-CG2 4.29Å; N100-T103 WeakPolarHBondContact O-CA 3.22Å; N100-T103 WeakPolarHBondContact O-CB 3.45Å; N100-T103 PolarHBondContact O-N 3.29Å; N100-T103 PolarHBondContact O-OG1 2.98Å; A101-T103 VanDerWaalsContact C-N 3.3Å; T103-H105 PolarHBondContact O-N 2.77Å; T103-H105 PolarHBondContact O-ND1 2.77Å; T103-H105 VanDerWaalsContact O-ND1 3.08Å | ||
| 104 | L | 94 | Very high | 92.1 | Very high | 28 Ų | 28 | 53.1 Ų | 53.1 | 15% | 0.147 | 30% | 0.3 | C | S | . | . | trans | -66 | 128 | 170.6 | -60 | 172.8 | 0 | 0 | 0 | 108.7 | P71 V72 S102 M128 K131 R132 | P71-L104 CarbonylContact C-O 3.57Å; P71-L104 VanDerWaalsContact CA-O 3.31Å; P71-L104 WeakPolarHBondContact CA-O 3.45Å; V72-L104 PolarHBondContact N-O 2.95Å; S102-L104 PolarHBondContact O-N 2.93Å; L104-M128 VanDerWaalsContact C-SD 3.5Å; L104-M128 HydrophobicContact CB-CB 3.94Å; L104-M128 HydrophobicContact CB-CG 3.92Å; L104-M128 HydrophobicContact CB-SD 3.72Å; L104-M128 HydrophobicContact CD1-CB 4.04Å; L104-M128 HydrophobicContact CD1-CG 4.5Å; L104-M128 VanDerWaalsContact CD1-O 3.27Å; L104-M128 WeakPolarHBondContact CD1-O 3.26Å; L104-K131 HydrophobicContact CD1-CB 3.79Å; L104-K131 HydrophobicContact CD1-CD 3.83Å; L104-K131 HydrophobicContact CD1-CG 3.86Å; L104-K131 HydrophobicContact CD2-CD 3.97Å; L104-R132 HydrophobicContact CD1-CB 4.39Å | ||
| 105 | H | 95.2 | Very high | 92.1 | Very high | 72 Ų | 72 | 49.2 Ų | 49.2 | 33% | 0.333 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 155.7 | 179.7 | 57.9 | -90.8 | 0 | 0 | 0 | 111.7 | V72 V96 L99 T103 M128 | V72-H105 HydrophobicContact CB-CB 4.37Å; V72-H105 WeakPolarHBondContact O-CA 3.43Å; V96-H105 HydrophobicContact CG1-CB 4.1Å; V96-H105 WeakPolarHBondContact CG1-CD2 3.39Å; L99-H105 HydrophobicContact CD1-CB 3.79Å; T103-H105 PolarHBondContact O-N 2.77Å; T103-H105 PolarHBondContact O-ND1 2.77Å; T103-H105 VanDerWaalsContact O-ND1 3.08Å; H105-M128 VanDerWaalsContact C-SD 3.57Å |
| 106 | H | 96.9 | Very high | 92.2 | Very high | 51 Ų | 51 | 54.5 Ų | 54.5 | 24% | 0.236 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 139.2 | 173.8 | -178.5 | 70.5 | 0 | 0 | 0 | 109.5 | V72 L73 V74 Q108 K124 M128 | V72-H106 PolarHBondContact O-N 3.3Å; V72-H106 VanDerWaalsContact O-N 3.08Å; L73-H106 HydrophobicContact CD1-CB 4.27Å; V74-H106 PolarHBondContact N-O 2.99Å; H106-Q108 PolarHBondContact NE2-OE1 3.29Å; H106-K124 HydrophobicContact CB-CG 3.72Å; H106-K124 VanDerWaalsContact CG-CG 3.45Å; H106-M128 HydrophobicContact CB-CE 4Å; H106-M128 HydrophobicContact CB-SD 4.22Å |
| 107 | V | 97 | Very high | 92.5 | Very high | 15 Ų | 15 | 54.9 Ų | 54.9 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.3 | 171.2 | -166.7 | 0 | 0 | 0 | 0 | 108.4 | V74 A76 V87 V90 E91 V96 | V74-V107 HydrophobicContact CB-CB 4.38Å; V74-V107 HydrophobicContact CB-CG1 4.1Å; V74-V107 HydrophobicContact CB-CG2 4.11Å; V74-V107 HydrophobicContact CG1-CG1 4.01Å; V74-V107 CarbonylContact O-C 3.59Å; V74-V107 WeakPolarHBondContact O-CA 3.19Å; A76-V107 HydrophobicContact CB-CG1 4.23Å; V87-V107 HydrophobicContact CG1-CB 3.88Å; V87-V107 HydrophobicContact CG1-CG1 3.74Å; V90-V107 HydrophobicContact CG1-CG1 4.14Å; E91-V107 HydrophobicContact CB-CG2 4.02Å; E91-V107 HydrophobicContact CG-CG2 3.94Å; V96-V107 HydrophobicContact CG1-CG2 4.35Å; V96-V107 HydrophobicContact CG2-CG2 4.24Å |
| 108 | Q | 97.9 | Very high | 92.7 | Very high | 30 Ų | 30 | 49.4 Ų | 49.4 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 124.5 | -177.4 | 179.6 | 62.2 | 50.5 | 0 | 0 | 109.8 | L73 V74 L75 A76 H106 G117 | L73-Q108 HydrophobicContact CD1-CB 4.06Å; V74-Q108 PolarHBondContact O-N 3.21Å; L75-Q108 CarbonylContact C-O 3.43Å; L75-Q108 HydrophobicContact CD2-CB 4.06Å; L75-Q108 HydrophobicContact CD2-CG 4.27Å; A76-Q108 PolarHBondContact N-O 2.88Å; H106-Q108 PolarHBondContact NE2-OE1 3.29Å; Q108-G117 WeakPolarHBondContact CG-O 3.33Å |
| 109 | S | 97.7 | Very high | 92.7 | Very high | 47 Ų | 47 | 48 Ų | 48 | 33% | 0.329 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 133.7 | 164.7 | 47.3 | 0 | 0 | 0 | 0 | 109.9 | G117 | S109-G117 WeakPolarHBondContact O-CA 3.43Å |
| 110 | C | 96.5 | Very high | 93.1 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.02 | 28% | 0.284 | C | S | . | . | trans | -152.7 | 165.8 | 172.4 | 72.8 | 0 | 0 | 0 | 0 | 113.6 | L75 A76 N77 K78 Q79 Q116 L118 | L75-C110 HydrophobicContact CD2-CB 4.45Å; A76-C110 PolarHBondContact O-N 2.86Å; N77-C110 CarbonylContact C-O 3.58Å; N77-C110 WeakPolarHBondContact CA-O 3.45Å; K78-C110 PolarHBondContact N-O 2.88Å; K78-C110 VanDerWaalsContact N-O 3.11Å; Q79-C110 PolarHBondContact N-O 3.02Å; Q79-C110 VanDerWaalsContact N-O 3.16Å; C110-Q116 CarbonylContact C-O 3.52Å; C110-Q116 WeakPolarHBondContact CA-O 3.16Å; C110-Q116 VanDerWaalsContact CB-O 3.26Å; C110-Q116 WeakPolarHBondContact CB-O 3.17Å; C110-L118 HydrophobicContact CB-CD2 3.6Å; C110-L118 HydrophobicContact CB-CG 4.32Å | ||
| 111 | S | 96.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | trans | -132.3 | 124.6 | 167.9 | 157.9 | 0 | 0 | 0 | 0 | 109.5 | D80 V113 D114 G115 Q116 | D80-S111 WeakPolarHBondContact OD1-CB 3.27Å; D80-S111 PolarHBondContact OD1-OG 3.42Å; S111-V113 PolarHBondContact O-N 2.8Å; S111-V113 PolarHBondContact OG-N 2.99Å; S111-V113 VanDerWaalsContact OG-N 3.14Å; S111-D114 WeakPolarHBondContact CB-OD1 3.5Å; S111-D114 PolarHBondContact OG-N 2.96Å; S111-D114 PolarHBondContact OG-OD1 3.28Å; S111-D114 PolarHBondContact OG-OD2 3.27Å; S111-G115 CarbonylContact O-C 3.57Å; S111-G115 WeakPolarHBondContact O-CA 3.03Å; S111-G115 PolarHBondContact O-N 2.98Å; S111-Q116 PolarHBondContact N-O 3.02Å | ||
| 112 | A | 90.6 | Very high | 93.8 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -23.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | L36 R39 F45 N77 | L36-A112 HydrophobicContact CD2-CB 3.75Å; L36-A112 HydrophobicContact CG-CB 4Å; R39-A112 PolarHBondContact NE-O 2.82Å; R39-A112 VanDerWaalsContact NE-O 3.15Å; F45-A112 WeakPolarHBondContact CD2-O 3.3Å; N77-A112 PolarHBondContact OD1-N 3.08Å; N77-A112 VanDerWaalsContact OD1-N 3.13Å |
| 113 | V | 92.1 | Very high | 94.1 | Very high | 64 Ų | 64 | 43.8 Ų | 43.8 | 39% | 0.388 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -37.9 | -175.1 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | R39 F45 S111 | R39-V113 VanDerWaalsContact NH2-C 3.31Å; R39-V113 PolarHBondContact NH2-O 3.19Å; F45-V113 WeakPolarHBondContact CB-O 3.35Å; F45-V113 HydrophobicContact CD1-CG1 4.49Å; F45-V113 HydrophobicContact CD2-CB 4.48Å; F45-V113 HydrophobicContact CD2-CG2 4.3Å; F45-V113 HydrophobicContact CE2-CG2 3.91Å; F45-V113 HydrophobicContact CZ-CG2 4.03Å; S111-V113 PolarHBondContact O-N 2.8Å; S111-V113 PolarHBondContact OG-N 2.99Å; S111-V113 VanDerWaalsContact OG-N 3.14Å |
| 114 | D | 92.4 | Very high | 94.4 | Very high | 75 Ų | 75 | 47.2 Ų | 47.2 | 40% | 0.401 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -15.6 | 179.6 | 55.2 | 35.1 | 0 | 0 | 0 | 112.9 | S111 Q116 | S111-D114 WeakPolarHBondContact CB-OD1 3.5Å; S111-D114 PolarHBondContact OG-N 2.96Å; S111-D114 PolarHBondContact OG-OD1 3.28Å; S111-D114 PolarHBondContact OG-OD2 3.27Å; D114-Q116 HydrophobicContact CB-CG 4.42Å; D114-Q116 VanDerWaalsContact OD1-CB 3.24Å; D114-Q116 WeakPolarHBondContact OD1-CB 3.43Å; D114-Q116 VanDerWaalsContact OD1-CG 3.31Å; D114-Q116 WeakPolarHBondContact OD1-CG 3.48Å; D114-Q116 PolarHBondContact OD1-N 3.28Å |
| 115 | G | 90.6 | Very high | 94.4 | Very high | 21 Ų | 21 | 46.9 Ų | 46.9 | 22% | 0.216 | 25% | 0.249 | C | C | . | . | trans | 87.1 | -0.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S111 L118 | S111-G115 CarbonylContact O-C 3.57Å; S111-G115 WeakPolarHBondContact O-CA 3.03Å; S111-G115 PolarHBondContact O-N 2.98Å; G115-L118 WeakPolarHBondContact O-CG 3.33Å; G115-L118 PolarHBondContact O-N 3.14Å | ||
| 116 | Q | 95.6 | Very high | 94.2 | Very high | 138 Ų | 138 | 48.8 Ų | 48.8 | 65% | 0.645 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 140.8 | -179.7 | -67.9 | -63.4 | -27.1 | 0 | 0 | 111.1 | C110 S111 D114 L118 | C110-Q116 CarbonylContact C-O 3.52Å; C110-Q116 WeakPolarHBondContact CA-O 3.16Å; C110-Q116 VanDerWaalsContact CB-O 3.26Å; C110-Q116 WeakPolarHBondContact CB-O 3.17Å; S111-Q116 PolarHBondContact N-O 3.02Å; D114-Q116 HydrophobicContact CB-CG 4.42Å; D114-Q116 VanDerWaalsContact OD1-CB 3.24Å; D114-Q116 WeakPolarHBondContact OD1-CB 3.43Å; D114-Q116 VanDerWaalsContact OD1-CG 3.31Å; D114-Q116 WeakPolarHBondContact OD1-CG 3.48Å; D114-Q116 PolarHBondContact OD1-N 3.28Å; Q116-L118 PolarHBondContact O-N 2.96Å; Q116-L118 VanDerWaalsContact O-N 3.11Å |
| 117 | G | 95.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 51.4 Ų | 51.4 | 13% | 0.134 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | -8.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q108 S109 G121 | Q108-G117 WeakPolarHBondContact CG-O 3.33Å; S109-G117 WeakPolarHBondContact O-CA 3.43Å; G117-G121 PolarHBondContact O-N 3.49Å; G117-G121 VanDerWaalsContact O-N 3.14Å |
| 118 | L | 90.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68 | -49 | 179.2 | -62 | -176.8 | 0 | 0 | 0 | 112.7 | L36 R39 L40 L75 C110 G115 Q116 G121 L122 | L36-L118 HydrophobicContact CD2-CD1 4.1Å; L36-L118 HydrophobicContact CD2-CD2 3.29Å; L36-L118 HydrophobicContact CD2-CG 4.33Å; R39-L118 HydrophobicContact CB-CD1 4.24Å; R39-L118 HydrophobicContact CG-CD1 3.43Å; R39-L118 VanDerWaalsContact CG-CD1 3.43Å; L40-L118 HydrophobicContact CD2-CB 4.46Å; L40-L118 HydrophobicContact CD2-CD1 4.43Å; L75-L118 HydrophobicContact CD1-CD2 4.36Å; C110-L118 HydrophobicContact CB-CD2 3.6Å; C110-L118 HydrophobicContact CB-CG 4.32Å; G115-L118 WeakPolarHBondContact O-CG 3.33Å; G115-L118 PolarHBondContact O-N 3.14Å; Q116-L118 PolarHBondContact O-N 2.96Å; Q116-L118 VanDerWaalsContact O-N 3.11Å; L118-G121 PolarHBondContact O-N 3.45Å; L118-L122 WeakPolarHBondContact O-CG 3.5Å; L118-L122 PolarHBondContact O-N 3.08Å |
| 119 | Q | 91.1 | Very high | 93.7 | Very high | 118 Ų | 118 | 50.9 Ų | 50.9 | 55% | 0.551 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -61.7 | -51.4 | -179.2 | 179.2 | 68.7 | 23.5 | 0 | 0 | 111.7 | G121 L122 E123 | Q119-G121 VanDerWaalsContact C-N 3.28Å; Q119-G121 PolarHBondContact O-N 2.98Å; Q119-L122 PolarHBondContact O-N 2.74Å; Q119-E123 WeakPolarHBondContact CG-OE1 3.45Å; Q119-E123 PolarHBondContact NE2-OE1 3.38Å; Q119-E123 WeakPolarHBondContact O-CG 3.31Å; Q119-E123 PolarHBondContact O-N 2.83Å |
| 120 | P | 96.1 | Very high | 93.4 | Very high | 63 Ų | 63 | 51.8 Ų | 51.8 | 41% | 0.409 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.8 | -38.6 | 173.8 | -25.9 | 33.9 | 0 | 0 | 0 | 113.7 | E123 K124 | P120-E123 PolarHBondContact O-N 3.2Å; P120-K124 WeakPolarHBondContact O-CB 3.26Å; P120-K124 PolarHBondContact O-N 3.49Å |
| 121 | G | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -45.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | L73 G117 L118 Q119 K124 L125 | L73-G121 WeakPolarHBondContact CD2-O 3.14Å; G117-G121 PolarHBondContact O-N 3.49Å; G117-G121 VanDerWaalsContact O-N 3.14Å; L118-G121 PolarHBondContact O-N 3.45Å; Q119-G121 VanDerWaalsContact C-N 3.28Å; Q119-G121 PolarHBondContact O-N 2.98Å; G121-K124 PolarHBondContact O-N 3.02Å; G121-L125 PolarHBondContact O-N 2.99Å |
| 122 | L | 92.1 | Very high | 92.9 | Very high | 64 Ų | 64 | 60 Ų | 60 | 34% | 0.335 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.6 | -37.4 | 178.6 | -70 | 178.5 | 0 | 0 | 0 | 112.5 | L40 L118 Q119 K124 L125 Y126 | L40-L122 HydrophobicContact CD1-CD1 4.15Å; L40-L122 HydrophobicContact CD2-CD1 3.52Å; L40-L122 HydrophobicContact CG-CD1 4.5Å; L118-L122 WeakPolarHBondContact O-CG 3.5Å; L118-L122 PolarHBondContact O-N 3.08Å; Q119-L122 PolarHBondContact O-N 2.74Å; L122-K124 VanDerWaalsContact C-N 3.3Å; L122-K124 PolarHBondContact O-N 3.07Å; L122-L125 PolarHBondContact O-N 3.28Å; L122-Y126 PolarHBondContact O-N 3.13Å |
| 123 | E | 93.3 | Very high | 92.7 | Very high | 98 Ų | 98 | 63.4 Ų | 63.4 | 46% | 0.458 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 171 | -74.4 | 167.6 | -175.6 | 0 | 0 | 110.5 | Q119 P120 L125 Y126 E127 | Q119-E123 WeakPolarHBondContact CG-OE1 3.45Å; Q119-E123 PolarHBondContact NE2-OE1 3.38Å; Q119-E123 WeakPolarHBondContact O-CG 3.31Å; Q119-E123 PolarHBondContact O-N 2.83Å; P120-E123 PolarHBondContact O-N 3.2Å; E123-L125 VanDerWaalsContact C-N 3.35Å; E123-L125 PolarHBondContact O-N 3.11Å; E123-Y126 WeakPolarHBondContact O-CB 3.43Å; E123-Y126 PolarHBondContact O-N 3.13Å; E123-Y126 VanDerWaalsContact O-N 3.14Å; E123-E127 WeakPolarHBondContact O-CG 3.36Å; E123-E127 PolarHBondContact O-N 3.11Å |
| 124 | K | 96.9 | Very high | 92.5 | Very high | 78 Ų | 78 | 67.9 Ų | 67.9 | 34% | 0.339 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 177.3 | -165.4 | 52.4 | 165.1 | -170.1 | 0 | 112.9 | H106 P120 G121 L122 Y126 E127 M128 | H106-K124 HydrophobicContact CB-CG 3.72Å; H106-K124 VanDerWaalsContact CG-CG 3.45Å; P120-K124 WeakPolarHBondContact O-CB 3.26Å; P120-K124 PolarHBondContact O-N 3.49Å; G121-K124 PolarHBondContact O-N 3.02Å; L122-K124 VanDerWaalsContact C-N 3.3Å; L122-K124 PolarHBondContact O-N 3.07Å; K124-Y126 VanDerWaalsContact C-N 3.31Å; K124-Y126 PolarHBondContact O-N 2.99Å; K124-E127 WeakPolarHBondContact CD-OE2 3.43Å; K124-E127 IonicContact NZ-OE2 2.79Å; K124-E127 PolarHBondContact NZ-OE2 2.91Å; K124-E127 WeakPolarHBondContact O-CB 3.39Å; K124-E127 PolarHBondContact O-N 3.16Å; K124-M128 WeakPolarHBondContact O-CG 3.3Å; K124-M128 PolarHBondContact O-N 3.02Å |
| 125 | L | 93.6 | Very high | 92.2 | Very high | 21 Ų | 21 | 68.2 Ų | 68.2 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 173.5 | 178 | 59.7 | 0 | 0 | 0 | 111.2 | V23 P71 L73 G121 L122 E123 M128 I129 | V23-L125 HydrophobicContact CG1-CD2 4.28Å; P71-L125 HydrophobicContact CB-CD1 4.24Å; L73-L125 HydrophobicContact CB-CB 4.2Å; L73-L125 HydrophobicContact CB-CD1 4.11Å; L73-L125 HydrophobicContact CB-CD2 4.43Å; L73-L125 HydrophobicContact CB-CG 4.48Å; L73-L125 HydrophobicContact CD2-CB 4.11Å; L73-L125 HydrophobicContact CD2-CD2 4.4Å; G121-L125 PolarHBondContact O-N 2.99Å; L122-L125 PolarHBondContact O-N 3.28Å; E123-L125 VanDerWaalsContact C-N 3.35Å; E123-L125 PolarHBondContact O-N 3.11Å; L125-M128 HydrophobicContact CD1-CE 4.23Å; L125-M128 PolarHBondContact O-N 3.11Å; L125-I129 HydrophobicContact CD1-CD1 4.21Å; L125-I129 HydrophobicContact CD1-CG1 4.41Å; L125-I129 HydrophobicContact CG-CD1 4.02Å; L125-I129 VanDerWaalsContact O-CG1 3.31Å; L125-I129 WeakPolarHBondContact O-CG1 3.47Å; L125-I129 PolarHBondContact O-N 3.31Å |
| 126 | Y | 91.5 | Very high | 91.8 | Very high | 112 Ų | 112 | 70.3 Ų | 70.3 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 177.7 | -177.2 | -116.5 | 0 | 0 | 0 | 112 | L21 L122 E123 K124 M128 I129 L130 | L21-Y126 HydrophobicContact CD1-CD2 4.13Å; L21-Y126 HydrophobicContact CD1-CE2 4.49Å; L122-Y126 PolarHBondContact O-N 3.13Å; E123-Y126 WeakPolarHBondContact O-CB 3.43Å; E123-Y126 PolarHBondContact O-N 3.13Å; E123-Y126 VanDerWaalsContact O-N 3.14Å; K124-Y126 VanDerWaalsContact C-N 3.31Å; K124-Y126 PolarHBondContact O-N 2.99Å; Y126-M128 VanDerWaalsContact C-N 3.32Å; Y126-M128 PolarHBondContact O-N 3.42Å; Y126-I129 WeakPolarHBondContact O-CB 3.43Å; Y126-I129 PolarHBondContact O-N 2.7Å; Y126-L130 HydrophobicContact CD1-CD1 4.07Å; Y126-L130 HydrophobicContact CE1-CD1 3.54Å; Y126-L130 HydrophobicContact CE1-CG 4.19Å; Y126-L130 HydrophobicContact CE2-CD1 4.39Å; Y126-L130 HydrophobicContact CE2-CD2 4.16Å; Y126-L130 HydrophobicContact CE2-CG 4.19Å; Y126-L130 WeakPolarHBondContact O-CG 3.43Å; Y126-L130 PolarHBondContact O-N 3.07Å |
| 127 | E | 95.1 | Very high | 91.1 | Very high | 105 Ų | 105 | 71.3 Ų | 71.3 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55.3 | -46.5 | 173.7 | -71.2 | 179.2 | 178 | 0 | 0 | 112.1 | E123 K124 I129 L130 K131 | E123-E127 WeakPolarHBondContact O-CG 3.36Å; E123-E127 PolarHBondContact O-N 3.11Å; K124-E127 WeakPolarHBondContact CD-OE2 3.43Å; K124-E127 IonicContact NZ-OE2 2.79Å; K124-E127 PolarHBondContact NZ-OE2 2.91Å; K124-E127 WeakPolarHBondContact O-CB 3.39Å; K124-E127 PolarHBondContact O-N 3.16Å; E127-I129 VanDerWaalsContact C-N 3.34Å; E127-I129 PolarHBondContact O-N 3.04Å; E127-L130 PolarHBondContact O-N 2.94Å; E127-K131 WeakPolarHBondContact O-CB 3.09Å; E127-K131 PolarHBondContact O-N 3.23Å |
| 128 | M | 95.4 | Very high | 90.2 | Very high | 10 Ų | 10 | 76.2 Ų | 76.2 | 5% | 0.049 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 179.4 | -66.4 | -169.8 | -67.8 | 0 | 0 | 112 | P71 L104 H105 H106 K124 L125 Y126 K131 R132 | P71-M128 HydrophobicContact CB-CB 3.73Å; P71-M128 HydrophobicContact CB-CE 4.4Å; P71-M128 HydrophobicContact CG-CB 4.24Å; L104-M128 VanDerWaalsContact C-SD 3.5Å; L104-M128 HydrophobicContact CB-CB 3.94Å; L104-M128 HydrophobicContact CB-CG 3.92Å; L104-M128 HydrophobicContact CB-SD 3.72Å; L104-M128 HydrophobicContact CD1-CB 4.04Å; L104-M128 HydrophobicContact CD1-CG 4.5Å; L104-M128 VanDerWaalsContact CD1-O 3.27Å; L104-M128 WeakPolarHBondContact CD1-O 3.26Å; H105-M128 VanDerWaalsContact C-SD 3.57Å; H106-M128 HydrophobicContact CB-CE 4Å; H106-M128 HydrophobicContact CB-SD 4.22Å; K124-M128 WeakPolarHBondContact O-CG 3.3Å; K124-M128 PolarHBondContact O-N 3.02Å; L125-M128 HydrophobicContact CD1-CE 4.23Å; L125-M128 PolarHBondContact O-N 3.11Å; Y126-M128 VanDerWaalsContact C-N 3.32Å; Y126-M128 PolarHBondContact O-N 3.42Å; M128-K131 PolarHBondContact O-N 2.81Å; M128-R132 WeakPolarHBondContact O-CB 3.24Å; M128-R132 PolarHBondContact O-N 2.74Å |
| 129 | I | 90.6 | Very high | 89.3 | Confident | 25 Ų | 25 | 80.3 Ų | 80.3 | 13% | 0.128 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 174.4 | -70.2 | 167.7 | 0 | 0 | 0 | 110.8 | L21 P71 L125 Y126 E127 R132 K133 | L21-I129 HydrophobicContact CD1-CD1 3.88Å; L21-I129 HydrophobicContact CD2-CD1 4.44Å; L21-I129 HydrophobicContact CD2-CG2 3.95Å; P71-I129 HydrophobicContact CB-CG1 4.46Å; P71-I129 HydrophobicContact CG-CG1 4.02Å; L125-I129 HydrophobicContact CD1-CD1 4.21Å; L125-I129 HydrophobicContact CD1-CG1 4.41Å; L125-I129 HydrophobicContact CG-CD1 4.02Å; L125-I129 VanDerWaalsContact O-CG1 3.31Å; L125-I129 WeakPolarHBondContact O-CG1 3.47Å; L125-I129 PolarHBondContact O-N 3.31Å; Y126-I129 WeakPolarHBondContact O-CB 3.43Å; Y126-I129 PolarHBondContact O-N 2.7Å; E127-I129 VanDerWaalsContact C-N 3.34Å; E127-I129 PolarHBondContact O-N 3.04Å; I129-R132 PolarHBondContact O-N 2.92Å; I129-K133 WeakPolarHBondContact O-CG 3.16Å; I129-K133 PolarHBondContact O-N 3.14Å |
| 130 | L | 90.9 | Very high | 88.3 | Confident | 66 Ų | 66 | 81.8 Ų | 81.8 | 35% | 0.346 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 177.8 | -67.4 | -176.9 | 0 | 0 | 0 | 111.9 | Y126 E127 K133 K134 | Y126-L130 HydrophobicContact CD1-CD1 4.07Å; Y126-L130 HydrophobicContact CE1-CD1 3.54Å; Y126-L130 HydrophobicContact CE1-CG 4.19Å; Y126-L130 HydrophobicContact CE2-CD1 4.39Å; Y126-L130 HydrophobicContact CE2-CD2 4.16Å; Y126-L130 HydrophobicContact CE2-CG 4.19Å; Y126-L130 WeakPolarHBondContact O-CG 3.43Å; Y126-L130 PolarHBondContact O-N 3.07Å; E127-L130 PolarHBondContact O-N 2.94Å; L130-K133 PolarHBondContact O-N 3.46Å; L130-K134 WeakPolarHBondContact O-CG 3.13Å; L130-K134 PolarHBondContact O-N 3.21Å; L130-K134 VanDerWaalsContact O-N 3.09Å |
| 131 | K | 92.6 | Very high | 86.9 | Confident | 121 Ų | 121 | 85.7 Ų | 85.7 | 53% | 0.526 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 177 | -174.8 | 175 | 178.2 | -178.1 | 0 | 111.3 | L104 E127 M128 K133 K134 M135 | L104-K131 HydrophobicContact CD1-CB 3.79Å; L104-K131 HydrophobicContact CD1-CD 3.83Å; L104-K131 HydrophobicContact CD1-CG 3.86Å; L104-K131 HydrophobicContact CD2-CD 3.97Å; E127-K131 WeakPolarHBondContact O-CB 3.09Å; E127-K131 PolarHBondContact O-N 3.23Å; M128-K131 PolarHBondContact O-N 2.81Å; K131-K133 PolarHBondContact O-N 3.44Å; K131-K134 WeakPolarHBondContact O-CB 3.31Å; K131-K134 PolarHBondContact O-N 2.86Å; K131-M135 HydrophobicContact CG-SD 4.18Å; K131-M135 WeakPolarHBondContact O-CG 3.28Å; K131-M135 PolarHBondContact O-N 3.15Å |
| 132 | R | 89.3 | Confident | 85.4 | Confident | 57 Ų | 57 | 94.9 Ų | 94.9 | 22% | 0.215 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 174.9 | 177.9 | 179.7 | 171.7 | 75.9 | -7.4 | 112.3 | Q68 G69 P71 L104 M128 I129 K134 M135 V136 | Q68-R132 PolarHBondContact O-NH1 3.47Å; Q68-R132 PolarHBondContact O-NH2 3.39Å; G69-R132 WeakPolarHBondContact O-CD 3.31Å; G69-R132 VanDerWaalsContact O-CZ 3.3Å; G69-R132 PolarHBondContact O-NH1 2.92Å; P71-R132 VanDerWaalsContact CD-CD 3.48Å; P71-R132 HydrophobicContact CG-CB 4.27Å; L104-R132 HydrophobicContact CD1-CB 4.39Å; M128-R132 WeakPolarHBondContact O-CB 3.24Å; M128-R132 PolarHBondContact O-N 2.74Å; I129-R132 PolarHBondContact O-N 2.92Å; R132-K134 VanDerWaalsContact C-N 3.25Å; R132-K134 PolarHBondContact O-N 3.45Å; R132-M135 PolarHBondContact O-N 3.24Å; R132-M135 VanDerWaalsContact O-N 3.14Å; R132-V136 HydrophobicContact CG-CG2 4.3Å; R132-V136 WeakPolarHBondContact O-CG2 3.49Å; R132-V136 PolarHBondContact O-N 2.89Å |
| 133 | K | 86.8 | Confident | 83.7 | Confident | 75 Ų | 75 | 100.8 Ų | 100.8 | 33% | 0.326 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -56.8 | -39.9 | 177.4 | -75.6 | -174.4 | -178.3 | -171.4 | 0 | 111.6 | I129 L130 K131 K137 | I129-K133 WeakPolarHBondContact O-CG 3.16Å; I129-K133 PolarHBondContact O-N 3.14Å; L130-K133 PolarHBondContact O-N 3.46Å; K131-K133 PolarHBondContact O-N 3.44Å; K133-K137 WeakPolarHBondContact O-CG 3.4Å; K133-K137 PolarHBondContact O-N 3.19Å |
| 134 | K | 88.4 | Confident | 81.7 | Confident | 157 Ų | 157 | 109.1 Ų | 109.1 | 68% | 0.683 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.7 | -46.3 | 175.3 | -67.7 | 177.2 | -177.7 | -178.8 | 0 | 111.9 | L130 K131 R132 V136 K137 H138 | L130-K134 WeakPolarHBondContact O-CG 3.13Å; L130-K134 PolarHBondContact O-N 3.21Å; L130-K134 VanDerWaalsContact O-N 3.09Å; K131-K134 WeakPolarHBondContact O-CB 3.31Å; K131-K134 PolarHBondContact O-N 2.86Å; R132-K134 VanDerWaalsContact C-N 3.25Å; R132-K134 PolarHBondContact O-N 3.45Å; K134-V136 PolarHBondContact O-N 3.01Å; K134-K137 PolarHBondContact O-N 3.03Å; K134-H138 PolarHBondContact O-N 2.8Å |
| 135 | M | 85.4 | Confident | 80.9 | Confident | 83 Ų | 83 | 110.7 Ų | 110.7 | 41% | 0.409 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 178.8 | -66.8 | 169.8 | 74 | 0 | 0 | 112.3 | K131 R132 H138 N139 | K131-M135 HydrophobicContact CG-SD 4.18Å; K131-M135 WeakPolarHBondContact O-CG 3.28Å; K131-M135 PolarHBondContact O-N 3.15Å; R132-M135 PolarHBondContact O-N 3.24Å; R132-M135 VanDerWaalsContact O-N 3.14Å; M135-H138 PolarHBondContact O-N 3.2Å; M135-N139 PolarHBondContact O-N 2.86Å; M135-N139 VanDerWaalsContact O-N 3.08Å |
| 136 | V | 82.1 | Confident | 80.3 | Confident | 65 Ų | 65 | 115.4 Ų | 115.4 | 39% | 0.394 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 179.3 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | R132 K134 N139 K140 | R132-V136 HydrophobicContact CG-CG2 4.3Å; R132-V136 WeakPolarHBondContact O-CG2 3.49Å; R132-V136 PolarHBondContact O-N 2.89Å; K134-V136 PolarHBondContact O-N 3.01Å; V136-N139 PolarHBondContact O-N 3.17Å; V136-K140 PolarHBondContact O-N 2.77Å |
| 137 | K | 81.8 | Confident | 79.6 | Confident | 159 Ų | 159 | 115.6 Ų | 115.6 | 69% | 0.691 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.1 | -45 | 176 | -74.8 | -179.9 | 178.5 | -172.9 | 0 | 111.7 | K133 K134 N139 K140 H141 | K133-K137 WeakPolarHBondContact O-CG 3.4Å; K133-K137 PolarHBondContact O-N 3.19Å; K134-K137 PolarHBondContact O-N 3.03Å; K137-N139 VanDerWaalsContact C-N 3.35Å; K137-N139 PolarHBondContact O-N 3.15Å; K137-K140 PolarHBondContact O-N 3.24Å; K137-H141 PolarHBondContact O-N 3.03Å |
| 138 | H | 76.5 | Confident | 78.7 | Confident | 115 Ų | 115 | 116.2 Ų | 116.2 | 53% | 0.532 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 179.8 | -167.7 | 83.4 | 0 | 0 | 0 | 112.1 | K134 M135 K140 H141 R142 | K134-H138 PolarHBondContact O-N 2.8Å; M135-H138 PolarHBondContact O-N 3.2Å; H138-K140 VanDerWaalsContact C-N 3.33Å; H138-K140 PolarHBondContact O-N 3.36Å; H138-H141 PolarHBondContact O-N 2.6Å; H138-R142 PolarHBondContact O-N 2.91Å |
| 139 | N | 71.1 | Confident | 77.7 | Confident | 94 Ų | 94 | 122.8 Ų | 122.8 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.1 | -29.9 | 177.5 | -72.8 | -10.2 | 0 | 0 | 0 | 113.6 | M135 V136 K137 | M135-N139 PolarHBondContact O-N 2.86Å; M135-N139 VanDerWaalsContact O-N 3.08Å; V136-N139 PolarHBondContact O-N 3.17Å; K137-N139 VanDerWaalsContact C-N 3.35Å; K137-N139 PolarHBondContact O-N 3.15Å |
| 140 | K | 70.8 | Confident | 76.8 | Confident | 149 Ų | 149 | 129.3 Ų | 129.3 | 65% | 0.648 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.8 | -34.3 | 173.1 | -76.1 | -175 | 177.7 | -174.1 | 0 | 112.1 | V136 K137 H138 | V136-K140 PolarHBondContact O-N 2.77Å; K137-K140 PolarHBondContact O-N 3.24Å; H138-K140 VanDerWaalsContact C-N 3.33Å; H138-K140 PolarHBondContact O-N 3.36Å |
| 141 | H | 66.1 | Low | 75.8 | Confident | 146 Ų | 146 | 133.9 Ų | 133.9 | 68% | 0.676 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -75.2 | -31 | -177.7 | -138.7 | 8.6 | 0 | 0 | 0 | 112.9 | K137 H138 K143 | K137-H141 PolarHBondContact O-N 3.03Å; H138-H141 PolarHBondContact O-N 2.6Å; H141-K143 VanDerWaalsContact C-N 3.32Å |
| 142 | R | 62.4 | Low | 74.5 | Confident | 192 Ų | 192 | 134.8 Ų | 134.8 | 73% | 0.725 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -12.8 | 175.5 | -74 | 177.8 | 63.6 | 169.9 | 0.3 | 115 | H138 | H138-R142 PolarHBondContact O-N 2.91Š|
| 143 | K | 57.9 | Low | 73.3 | Confident | 189 Ų | 189 | 141.3 Ų | 141.3 | 82% | 0.822 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 1.5 | 179.7 | -74.2 | -170.3 | 176.6 | -170 | 0 | 113.4 | H141 | H141-K143 VanDerWaalsContact C-N 3.32Š|
| 144 | R | 50.5 | Low | 72.1 | Confident | 272 Ų | 272 | 147.4 Ų | 147.4 | 100% | 1.026 | 65% | 0.646 | S | S | * | * | trans | -105.4 | 0 | 171.2 | -63.2 | 179.3 | 94.5 | 177.2 | 7.5 | 107.9 |
Retrieved 144 of 144 residues in 59.7 ms
(Link to these results)