| 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 | 55.8 | Low | 57.1 | Low | 215 Ų | 215 | 128.9 Ų | 128.9 | 100% | 1.059 | 67% | 0.668 | S | S | * | * | 0 | 70.4 | 0 | -175.3 | 171.7 | 175.6 | 0 | 0 | 110.3 | |||||
| 2 | V | 54.1 | Low | 57.7 | Low | 113 Ų | 113 | 129.1 Ų | 129.1 | 69% | 0.685 | 66% | 0.66 | S | S | * | * | trans | -125.7 | -23.3 | -175.6 | -172.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 3 | Y | 56.1 | Low | 58.6 | Low | 224 Ų | 224 | 130.2 Ų | 130.2 | 88% | 0.878 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -80.3 | -17.7 | -174.1 | -62 | -74.5 | 0 | 0 | 0 | 115.5 | ||
| 4 | L | 54.6 | Low | 59.6 | Low | 138 Ų | 138 | 128.7 Ų | 128.7 | 72% | 0.723 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -83.6 | -21.7 | -176.2 | -75.3 | 165.7 | 0 | 0 | 0 | 114.6 | S6 | L4-S6 VanDerWaalsContact C-N 3.34Å; L4-S6 PolarHBondContact O-N 3.44Å |
| 5 | I | 55 | Low | 60.2 | Low | 95 Ų | 95 | 129.3 Ų | 129.3 | 49% | 0.487 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -74.5 | -28.4 | -175.8 | -59.8 | 171.5 | 0 | 0 | 0 | 111.3 | ||
| 6 | S | 55.3 | Low | 60.9 | Low | 84 Ų | 84 | 128.6 Ų | 128.6 | 59% | 0.587 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -75.1 | -35 | -174.3 | -151.5 | 0 | 0 | 0 | 0 | 113.2 | L4 | L4-S6 VanDerWaalsContact C-N 3.34Å; L4-S6 PolarHBondContact O-N 3.44Å |
| 7 | A | 55.7 | Low | 61.9 | Low | 72 Ų | 72 | 130 Ų | 130 | 60% | 0.595 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.2 | -37.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R9 K10 | A7-R9 VanDerWaalsContact C-N 3.26Å; A7-R9 PolarHBondContact O-N 3.29Å; A7-K10 PolarHBondContact O-N 3.48Å |
| 8 | S | 58 | Low | 62.7 | Low | 60 Ų | 60 | 127.4 Ų | 127.4 | 42% | 0.42 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -62.9 | -31.9 | -179 | -169.1 | 0 | 0 | 0 | 0 | 112.9 | K12 | S8-K12 WeakPolarHBondContact O-CG 3.46Å; S8-K12 PolarHBondContact O-N 3.37Å |
| 9 | R | 61.4 | Low | 63.5 | Low | 180 Ų | 180 | 124.3 Ų | 124.3 | 68% | 0.679 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.5 | -36.3 | -176.7 | -67.2 | 179.6 | -175.4 | -170.5 | 1.3 | 113 | A7 F13 | A7-R9 VanDerWaalsContact C-N 3.26Å; A7-R9 PolarHBondContact O-N 3.29Å; R9-F13 WeakPolarHBondContact O-CB 3.41Å; R9-F13 PolarHBondContact O-N 3.04Å |
| 10 | K | 61.1 | Low | 64.2 | Low | 158 Ų | 158 | 125.5 Ų | 125.5 | 69% | 0.687 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.5 | -42.6 | -179.6 | -76.7 | -175 | 177.5 | -179.8 | 0 | 112.5 | A7 F13 I14 | A7-K10 PolarHBondContact O-N 3.48Å; K10-F13 PolarHBondContact O-N 3.22Å; K10-I14 WeakPolarHBondContact O-CG1 3.33Å; K10-I14 PolarHBondContact O-N 3.07Å |
| 11 | S | 61.1 | Low | 65.1 | Low | 79 Ų | 79 | 125.2 Ų | 125.2 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.1 | -42.7 | 178.5 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | F13 I14 Q15 | S11-F13 PolarHBondContact O-N 3.46Å; S11-I14 PolarHBondContact O-N 3.46Å; S11-Q15 PolarHBondContact O-N 3.49Å |
| 12 | K | 64.6 | Low | 66.2 | Low | 131 Ų | 131 | 118.2 Ų | 118.2 | 57% | 0.57 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.5 | -38.6 | 176.4 | -70.6 | -178.3 | -179.1 | -175.9 | 0 | 112.9 | S8 I14 Q15 I16 | S8-K12 WeakPolarHBondContact O-CG 3.46Å; S8-K12 PolarHBondContact O-N 3.37Å; K12-I14 VanDerWaalsContact C-N 3.35Å; K12-I14 PolarHBondContact O-N 3.48Å; K12-Q15 PolarHBondContact O-N 3.38Å; K12-I16 VanDerWaalsContact O-CG1 3.3Å; K12-I16 WeakPolarHBondContact O-CG1 3.4Å; K12-I16 PolarHBondContact O-N 2.9Å |
| 13 | F | 69.6 | Low | 67.2 | Low | 144 Ų | 144 | 117.6 Ų | 117.6 | 63% | 0.632 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.3 | -41.1 | 178.5 | -169.8 | -98.1 | 0 | 0 | 0 | 112.1 | R9 K10 S11 I16 K17 | R9-F13 WeakPolarHBondContact O-CB 3.41Å; R9-F13 PolarHBondContact O-N 3.04Å; K10-F13 PolarHBondContact O-N 3.22Å; S11-F13 PolarHBondContact O-N 3.46Å; F13-I16 PolarHBondContact O-N 2.99Å; F13-K17 PolarHBondContact O-N 3.09Å; F13-K17 VanDerWaalsContact O-N 3.09Å |
| 14 | I | 71.7 | Confident | 68.3 | Low | 109 Ų | 109 | 112.9 Ų | 112.9 | 56% | 0.559 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.1 | -44.4 | 176.5 | -64.4 | 164.7 | 0 | 0 | 0 | 110.1 | K10 S11 K12 I16 K17 V18 | K10-I14 WeakPolarHBondContact O-CG1 3.33Å; K10-I14 PolarHBondContact O-N 3.07Å; S11-I14 PolarHBondContact O-N 3.46Å; K12-I14 VanDerWaalsContact C-N 3.35Å; K12-I14 PolarHBondContact O-N 3.48Å; I14-I16 VanDerWaalsContact C-N 3.33Å; I14-I16 PolarHBondContact O-N 3.48Å; I14-K17 PolarHBondContact O-N 3.37Å; I14-K17 VanDerWaalsContact O-N 3.15Å; I14-V18 HydrophobicContact CG2-CG2 4.24Å; I14-V18 WeakPolarHBondContact O-CG2 3.39Å; I14-V18 PolarHBondContact O-N 3.34Å |
| 15 | Q | 68.5 | Low | 69.4 | Low | 138 Ų | 138 | 112.5 Ų | 112.5 | 65% | 0.645 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.8 | -40.5 | 179.5 | -170.5 | 177.1 | -23.5 | 0 | 0 | 112.6 | S11 K12 V18 S19 | S11-Q15 PolarHBondContact O-N 3.49Å; K12-Q15 PolarHBondContact O-N 3.38Å; Q15-V18 PolarHBondContact O-N 2.96Å; Q15-S19 WeakPolarHBondContact O-CB 3.3Å; Q15-S19 PolarHBondContact O-N 3.47Å |
| 16 | I | 71.9 | Confident | 70.3 | Confident | 118 Ų | 118 | 112.6 Ų | 112.6 | 61% | 0.605 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.2 | -42.6 | 175.8 | -64.9 | 162.9 | 0 | 0 | 0 | 110.6 | K12 F13 I14 V18 S19 F20 | K12-I16 VanDerWaalsContact O-CG1 3.3Å; K12-I16 WeakPolarHBondContact O-CG1 3.4Å; K12-I16 PolarHBondContact O-N 2.9Å; F13-I16 PolarHBondContact O-N 2.99Å; I14-I16 VanDerWaalsContact C-N 3.33Å; I14-I16 PolarHBondContact O-N 3.48Å; I16-V18 PolarHBondContact O-N 2.88Å; I16-S19 PolarHBondContact O-N 3.15Å; I16-F20 PolarHBondContact O-N 3.43Å |
| 17 | K | 78.6 | Confident | 70.9 | Confident | 152 Ų | 152 | 116.2 Ų | 116.2 | 66% | 0.661 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64 | -41 | 178.6 | -169.9 | 174.7 | -178.5 | 179.4 | 0 | 112.1 | F13 I14 F20 F21 | F13-K17 PolarHBondContact O-N 3.09Å; F13-K17 VanDerWaalsContact O-N 3.09Å; I14-K17 PolarHBondContact O-N 3.37Å; I14-K17 VanDerWaalsContact O-N 3.15Å; K17-F20 PolarHBondContact O-N 3.47Å; K17-F21 WeakPolarHBondContact O-CB 3.4Å; K17-F21 PolarHBondContact O-N 3.05Å |
| 18 | V | 76 | Confident | 71.5 | Confident | 83 Ų | 83 | 119.2 Ų | 119.2 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.3 | -44.6 | 176.1 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | I14 Q15 I16 F20 F21 V22 | I14-V18 HydrophobicContact CG2-CG2 4.24Å; I14-V18 WeakPolarHBondContact O-CG2 3.39Å; I14-V18 PolarHBondContact O-N 3.34Å; Q15-V18 PolarHBondContact O-N 2.96Å; I16-V18 PolarHBondContact O-N 2.88Å; V18-F20 PolarHBondContact O-N 3.02Å; V18-F21 PolarHBondContact O-N 2.97Å; V18-V22 WeakPolarHBondContact O-CG2 3.35Å; V18-V22 PolarHBondContact O-N 3.08Å |
| 19 | S | 77 | Confident | 71.9 | Confident | 68 Ų | 68 | 123.2 Ų | 123.2 | 48% | 0.476 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.2 | -43.9 | 177.4 | -169.6 | 0 | 0 | 0 | 0 | 112 | Q15 I16 V22 L23 | Q15-S19 WeakPolarHBondContact O-CB 3.3Å; Q15-S19 PolarHBondContact O-N 3.47Å; I16-S19 PolarHBondContact O-N 3.15Å; S19-V22 PolarHBondContact O-N 3.32Å; S19-L23 WeakPolarHBondContact O-CG 3.29Å; S19-L23 PolarHBondContact O-N 3.35Å; S19-L23 VanDerWaalsContact O-N 3.08Å |
| 20 | F | 78.2 | Confident | 72.1 | Confident | 148 Ų | 148 | 121.5 Ų | 121.5 | 65% | 0.649 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.9 | -39.9 | 178 | -163.7 | -93.8 | 0 | 0 | 0 | 112.9 | I16 K17 V18 L23 F24 | I16-F20 PolarHBondContact O-N 3.43Å; K17-F20 PolarHBondContact O-N 3.47Å; V18-F20 PolarHBondContact O-N 3.02Å; F20-L23 PolarHBondContact O-N 3.3Å; F20-F24 WeakPolarHBondContact O-CB 3.5Å; F20-F24 PolarHBondContact O-N 3.37Å |
| 21 | F | 82.5 | Confident | 72.2 | Confident | 120 Ų | 120 | 115.5 Ų | 115.5 | 53% | 0.526 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.6 | -43.2 | 176.8 | -179.8 | -98.6 | 0 | 0 | 0 | 111.9 | K17 V18 F24 W25 | K17-F21 WeakPolarHBondContact O-CB 3.4Å; K17-F21 PolarHBondContact O-N 3.05Å; V18-F21 PolarHBondContact O-N 2.97Å; F21-F24 PolarHBondContact O-N 3.43Å; F21-W25 HydrophobicContact CE1-CD2 4.4Å; F21-W25 AromaticContact CE1-CE3 3.6Å; F21-W25 HydrophobicContact CE1-CE3 3.6Å; F21-W25 HydrophobicContact CE1-CZ3 4.01Å; F21-W25 AromaticContact CE2-CE3 3.96Å; F21-W25 HydrophobicContact CE2-CE3 3.96Å; F21-W25 HydrophobicContact CE2-CZ3 4.17Å; F21-W25 HydrophobicContact CZ-CD2 4.43Å; F21-W25 AromaticContact CZ-CE3 3.27Å; F21-W25 HydrophobicContact CZ-CE3 3.27Å; F21-W25 AromaticContact CZ-CZ3 3.38Å; F21-W25 HydrophobicContact CZ-CZ3 3.38Å; F21-W25 VanDerWaalsContact O-CB 3.29Å; F21-W25 WeakPolarHBondContact O-CB 3.38Å; F21-W25 PolarHBondContact O-N 2.94Å |
| 22 | V | 78.6 | Confident | 72.1 | Confident | 68 Ų | 68 | 114.5 Ų | 114.5 | 41% | 0.412 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 177 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | V18 S19 F24 W25 I26 | V18-V22 WeakPolarHBondContact O-CG2 3.35Å; V18-V22 PolarHBondContact O-N 3.08Å; S19-V22 PolarHBondContact O-N 3.32Å; V22-F24 VanDerWaalsContact C-N 3.34Å; V22-F24 PolarHBondContact O-N 3.39Å; V22-W25 PolarHBondContact O-N 3.47Å; V22-I26 HydrophobicContact CG1-CD1 3.6Å; V22-I26 HydrophobicContact CG1-CG1 4.23Å; V22-I26 VanDerWaalsContact O-CG1 3.28Å; V22-I26 WeakPolarHBondContact O-CG1 3.47Å; V22-I26 PolarHBondContact O-N 2.84Å |
| 23 | L | 76.5 | Confident | 71.6 | Confident | 100 Ų | 100 | 111.7 Ų | 111.7 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 176 | -73.1 | 169.5 | 0 | 0 | 0 | 112.4 | S19 F20 W25 K27 | S19-L23 WeakPolarHBondContact O-CG 3.29Å; S19-L23 PolarHBondContact O-N 3.35Å; S19-L23 VanDerWaalsContact O-N 3.08Å; F20-L23 PolarHBondContact O-N 3.3Å; L23-W25 VanDerWaalsContact C-N 3.35Å; L23-K27 WeakPolarHBondContact O-CB 3.4Å; L23-K27 WeakPolarHBondContact O-CG 3.35Å; L23-K27 PolarHBondContact O-N 2.81Å |
| 24 | F | 78.5 | Confident | 71.1 | Confident | 126 Ų | 126 | 109.4 Ų | 109.4 | 55% | 0.553 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.9 | -41.4 | 176.1 | -171 | -94.7 | 0 | 0 | 0 | 111.6 | F20 F21 V22 K27 K28 | F20-F24 WeakPolarHBondContact O-CB 3.5Å; F20-F24 PolarHBondContact O-N 3.37Å; F21-F24 PolarHBondContact O-N 3.43Å; V22-F24 VanDerWaalsContact C-N 3.34Å; V22-F24 PolarHBondContact O-N 3.39Å; F24-K27 PolarHBondContact O-N 3.22Å; F24-K28 HydrophobicContact CE1-CD 4.45Å; F24-K28 WeakPolarHBondContact O-CB 3.22Å; F24-K28 PolarHBondContact O-N 2.93Å |
| 25 | W | 77.2 | Confident | 70.5 | Confident | 130 Ų | 130 | 108.7 Ų | 108.7 | 49% | 0.492 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 179.5 | -162.5 | -74.3 | 0 | 0 | 0 | 112.2 | F21 V22 L23 K28 K29 | F21-W25 HydrophobicContact CE1-CD2 4.4Å; F21-W25 AromaticContact CE1-CE3 3.6Å; F21-W25 HydrophobicContact CE1-CE3 3.6Å; F21-W25 HydrophobicContact CE1-CZ3 4.01Å; F21-W25 AromaticContact CE2-CE3 3.96Å; F21-W25 HydrophobicContact CE2-CE3 3.96Å; F21-W25 HydrophobicContact CE2-CZ3 4.17Å; F21-W25 HydrophobicContact CZ-CD2 4.43Å; F21-W25 AromaticContact CZ-CE3 3.27Å; F21-W25 HydrophobicContact CZ-CE3 3.27Å; F21-W25 AromaticContact CZ-CZ3 3.38Å; F21-W25 HydrophobicContact CZ-CZ3 3.38Å; F21-W25 VanDerWaalsContact O-CB 3.29Å; F21-W25 WeakPolarHBondContact O-CB 3.38Å; F21-W25 PolarHBondContact O-N 2.94Å; V22-W25 PolarHBondContact O-N 3.47Å; L23-W25 VanDerWaalsContact C-N 3.35Å; W25-K28 PolarHBondContact O-N 3.43Å; W25-K29 WeakPolarHBondContact O-CB 3.4Å; W25-K29 PolarHBondContact O-N 3.01Å |
| 26 | I | 74.6 | Confident | 70.1 | Confident | 97 Ų | 97 | 104 Ų | 104 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 176.4 | -66.7 | 167.3 | 0 | 0 | 0 | 110 | V22 K28 K29 F30 | V22-I26 HydrophobicContact CG1-CD1 3.6Å; V22-I26 HydrophobicContact CG1-CG1 4.23Å; V22-I26 VanDerWaalsContact O-CG1 3.28Å; V22-I26 WeakPolarHBondContact O-CG1 3.47Å; V22-I26 PolarHBondContact O-N 2.84Å; I26-K28 VanDerWaalsContact C-N 3.31Å; I26-K28 PolarHBondContact O-N 3.23Å; I26-K29 PolarHBondContact O-N 2.91Å; I26-F30 WeakPolarHBondContact O-CB 2.95Å; I26-F30 PolarHBondContact O-N 2.82Å |
| 27 | K | 68.4 | Low | 69.7 | Low | 159 Ų | 159 | 105.1 Ų | 105.1 | 69% | 0.691 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.6 | -45.3 | 175.4 | -77.4 | -176 | 178.8 | -176.3 | 0 | 111.1 | L23 F24 A31 | L23-K27 WeakPolarHBondContact O-CB 3.4Å; L23-K27 WeakPolarHBondContact O-CG 3.35Å; L23-K27 PolarHBondContact O-N 2.81Å; F24-K27 PolarHBondContact O-N 3.22Å; K27-A31 WeakPolarHBondContact O-CB 3.28Å; K27-A31 PolarHBondContact O-N 3.32Å |
| 28 | K | 67.9 | Low | 68.9 | Low | 135 Ų | 135 | 103.2 Ų | 103.2 | 59% | 0.587 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67 | -45.3 | 178.5 | -166.7 | 172.6 | -177.9 | 176.4 | 0 | 112.2 | F24 W25 I26 V32 | F24-K28 HydrophobicContact CE1-CD 4.45Å; F24-K28 WeakPolarHBondContact O-CB 3.22Å; F24-K28 PolarHBondContact O-N 2.93Å; W25-K28 PolarHBondContact O-N 3.43Å; I26-K28 VanDerWaalsContact C-N 3.31Å; I26-K28 PolarHBondContact O-N 3.23Å; K28-V32 HydrophobicContact CG-CG2 4.2Å; K28-V32 WeakPolarHBondContact O-CB 3.04Å; K28-V32 WeakPolarHBondContact O-CG2 3.18Å; K28-V32 PolarHBondContact O-N 3.37Å |
| 29 | K | 67.1 | Low | 68.1 | Low | 145 Ų | 145 | 107.7 Ų | 107.7 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.5 | -28.9 | -179.4 | -87.3 | -162.3 | 169.3 | -176.7 | 0 | 113.9 | W25 I26 P33 | W25-K29 WeakPolarHBondContact O-CB 3.4Å; W25-K29 PolarHBondContact O-N 3.01Å; I26-K29 PolarHBondContact O-N 2.91Å; K29-P33 WeakPolarHBondContact O-CD 3.06Å; K29-P33 WeakPolarHBondContact O-CG 3.01Å |
| 30 | F | 65.7 | Low | 67.3 | Low | 143 Ų | 143 | 112.7 Ų | 112.7 | 63% | 0.627 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -92.2 | -40.8 | -177.7 | -161.9 | -107.2 | 0 | 0 | 0 | 111.5 | I26 P33 L34 | I26-F30 WeakPolarHBondContact O-CB 2.95Å; I26-F30 PolarHBondContact O-N 2.82Å; F30-P33 WeakPolarHBondContact O-CD 3.4Å; F30-L34 HydrophobicContact CD1-CD1 3.43Å; F30-L34 VanDerWaalsContact CD1-CD1 3.43Å; F30-L34 HydrophobicContact CE1-CD1 3.23Å; F30-L34 HydrophobicContact CE1-CG 4.49Å; F30-L34 HydrophobicContact CE2-CD1 4.49Å; F30-L34 HydrophobicContact CG-CD1 4.16Å; F30-L34 HydrophobicContact CZ-CD1 3.81Å; F30-L34 WeakPolarHBondContact O-CB 3.35Å; F30-L34 WeakPolarHBondContact O-CD1 3.34Å; F30-L34 WeakPolarHBondContact O-CG 3.12Å; F30-L34 PolarHBondContact O-N 2.87Å |
| 31 | A | 62.5 | Low | 66.4 | Low | 32 Ų | 32 | 105.9 Ų | 105.9 | 26% | 0.264 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -48.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K27 L34 Y35 | K27-A31 WeakPolarHBondContact O-CB 3.28Å; K27-A31 PolarHBondContact O-N 3.32Å; A31-L34 PolarHBondContact O-N 2.96Å; A31-Y35 HydrophobicContact CB-CD2 3.9Å; A31-Y35 HydrophobicContact CB-CE2 3.71Å; A31-Y35 WeakPolarHBondContact O-CD2 3.26Å; A31-Y35 PolarHBondContact O-N 3.37Å |
| 32 | V | 58.6 | Low | 65.5 | Low | 58 Ų | 58 | 105.2 Ų | 105.2 | 35% | 0.352 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.4 | -47.5 | -172.9 | 174.4 | 0 | 0 | 0 | 0 | 113.7 | K28 C36 | K28-V32 HydrophobicContact CG-CG2 4.2Å; K28-V32 WeakPolarHBondContact O-CB 3.04Å; K28-V32 WeakPolarHBondContact O-CG2 3.18Å; K28-V32 PolarHBondContact O-N 3.37Å; V32-C36 PolarHBondContact O-N 2.67Å; V32-C36 VanDerWaalsContact O-N 3.14Å |
| 33 | P | 53.7 | Low | 64.8 | Low | 73 Ų | 73 | 104.5 Ų | 104.5 | 47% | 0.474 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.5 | -33.2 | 177.2 | 28.2 | -34 | 0 | 0 | 0 | 113.1 | K29 F30 Y35 C36 N37 | K29-P33 WeakPolarHBondContact O-CD 3.06Å; K29-P33 WeakPolarHBondContact O-CG 3.01Å; F30-P33 WeakPolarHBondContact O-CD 3.4Å; P33-Y35 VanDerWaalsContact C-N 3.31Å; P33-Y35 PolarHBondContact O-N 3.39Å; P33-C36 PolarHBondContact O-N 3.5Å; P33-N37 PolarHBondContact O-N 3.11Å; P33-N37 VanDerWaalsContact O-N 3.08Å |
| 34 | L | 60.1 | Low | 64.3 | Low | 95 Ų | 95 | 104.9 Ų | 104.9 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 175.6 | -88.7 | 166.5 | 0 | 0 | 0 | 111.9 | F30 A31 | F30-L34 HydrophobicContact CD1-CD1 3.43Å; F30-L34 VanDerWaalsContact CD1-CD1 3.43Å; F30-L34 HydrophobicContact CE1-CD1 3.23Å; F30-L34 HydrophobicContact CE1-CG 4.49Å; F30-L34 HydrophobicContact CE2-CD1 4.49Å; F30-L34 HydrophobicContact CG-CD1 4.16Å; F30-L34 HydrophobicContact CZ-CD1 3.81Å; F30-L34 WeakPolarHBondContact O-CB 3.35Å; F30-L34 WeakPolarHBondContact O-CD1 3.34Å; F30-L34 WeakPolarHBondContact O-CG 3.12Å; F30-L34 PolarHBondContact O-N 2.87Å; A31-L34 PolarHBondContact O-N 2.96Å |
| 35 | Y | 58.6 | Low | 63.6 | Low | 94 Ų | 94 | 102.5 Ų | 102.5 | 37% | 0.369 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -80.4 | -21.1 | 179.4 | -67.3 | -65 | 0 | 0 | 0 | 113.5 | A31 P33 L43 M56 | A31-Y35 HydrophobicContact CB-CD2 3.9Å; A31-Y35 HydrophobicContact CB-CE2 3.71Å; A31-Y35 WeakPolarHBondContact O-CD2 3.26Å; A31-Y35 PolarHBondContact O-N 3.37Å; P33-Y35 VanDerWaalsContact C-N 3.31Å; P33-Y35 PolarHBondContact O-N 3.39Å; Y35-L43 HydrophobicContact CD1-CD1 4.44Å; Y35-L43 HydrophobicContact CD2-CD1 3.76Å; Y35-L43 HydrophobicContact CE1-CD1 4.02Å; Y35-L43 HydrophobicContact CE2-CD1 3.31Å; Y35-L43 HydrophobicContact CG-CD1 4.35Å; Y35-L43 VanDerWaalsContact CZ-CD1 3.45Å; Y35-M56 HydrophobicContact CG-CE 4.42Å |
| 36 | C | 60.6 | Low | 63.1 | Low | 39 Ų | 39 | 100.2 Ų | 100.2 | 26% | 0.264 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -87.4 | -12.6 | 173.7 | -81.5 | 0 | 0 | 0 | 0 | 115.4 | V32 P33 C58 V63 | V32-C36 PolarHBondContact O-N 2.67Å; V32-C36 VanDerWaalsContact O-N 3.14Å; P33-C36 PolarHBondContact O-N 3.5Å; C36-C58 WeakPolarHBondContact CA-SG 3.48Å; C36-C58 HydrophobicContact CB-CB 3.63Å; C36-C58 WeakPolarHBondContact CB-SG 3.05Å; C36-C58 WeakPolarHBondContact SG-CB 3.4Å; C36-C58 CovalentContact SG-SG 2.05Å; C36-C58 PolarHBondContact SG-SG 2.83Å; C36-V63 WeakPolarHBondContact SG-CG2 3.49Å |
| 37 | N | 63.2 | Low | 62.9 | Low | 142 Ų | 142 | 100.6 Ų | 100.6 | 76% | 0.759 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -75.9 | -17.8 | 174.7 | -156.3 | 21.6 | 0 | 0 | 0 | 112.4 | P33 | P33-N37 PolarHBondContact O-N 3.11Å; P33-N37 VanDerWaalsContact O-N 3.08Å |
| 38 | N | 61.1 | Low | 62.6 | Low | 113 Ų | 113 | 101.5 Ų | 101.5 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -101.3 | 122.7 | 168.9 | -71.5 | -23.9 | 0 | 0 | 0 | 107.5 | Y40 | N38-Y40 PolarHBondContact O-N 3.22Š|
| 39 | E | 59.5 | Low | 62.6 | Low | 177 Ų | 177 | 101.3 Ų | 101.3 | 83% | 0.827 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -54.6 | -15.3 | -175.3 | -69.4 | -178.7 | 120.3 | 0 | 0 | 114.2 | ||
| 40 | Y | 60.3 | Low | 62.6 | Low | 172 Ų | 172 | 96.9 Ų | 96.9 | 68% | 0.675 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 107.5 | 170.4 | -113.4 | -102.6 | 0 | 0 | 0 | 110.2 | N38 | N38-Y40 PolarHBondContact O-N 3.22Å |
| 41 | G | 59.1 | Low | 62.7 | Low | 6 Ų | 6 | 97.8 Ų | 97.8 | 6% | 0.062 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 110.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | M56 | G41-M56 PolarHBondContact N-O 3.09Å; G41-M56 PolarHBondContact O-N 2.97Å |
| 42 | I | 63.3 | Low | 63.1 | Low | 106 Ų | 106 | 99.3 Ų | 99.3 | 54% | 0.544 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 112.1 | 166.7 | -58 | 171.9 | 0 | 0 | 0 | 107.6 | I44 L54 | I42-I44 HydrophobicContact CG2-CG1 4.44Å; I42-L54 CarbonylContact C-O 3.6Å; I42-L54 WeakPolarHBondContact CA-O 3.42Å |
| 43 | L | 64 | Low | 63.5 | Low | 52 Ų | 52 | 97.8 Ų | 97.8 | 27% | 0.272 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 116.9 | 172.9 | -166.5 | 113.8 | 0 | 0 | 0 | 108.7 | Y35 L45 L54 | Y35-L43 HydrophobicContact CD1-CD1 4.44Å; Y35-L43 HydrophobicContact CD2-CD1 3.76Å; Y35-L43 HydrophobicContact CE1-CD1 4.02Å; Y35-L43 HydrophobicContact CE2-CD1 3.31Å; Y35-L43 HydrophobicContact CG-CD1 4.35Å; Y35-L43 VanDerWaalsContact CZ-CD1 3.45Å; L43-L45 PolarHBondContact O-N 3.36Å; L43-L54 HydrophobicContact CB-CB 4.04Å; L43-L54 HydrophobicContact CD2-CD1 3.67Å; L43-L54 PolarHBondContact N-O 3.44Å; L43-L54 WeakPolarHBondContact O-CB 2.94Å; L43-L54 PolarHBondContact O-N 3.22Å |
| 44 | I | 66.4 | Low | 64.2 | Low | 108 Ų | 108 | 95.1 Ų | 95.1 | 55% | 0.554 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 107.8 | 177.2 | -55.4 | 177.5 | 0 | 0 | 0 | 107.9 | I42 R51 C72 | I42-I44 HydrophobicContact CG2-CG1 4.44Å; I44-R51 HydrophobicContact CG2-CB 4.44Å; I44-C72 HydrophobicContact CG2-CB 4.37Å |
| 45 | L | 64.9 | Low | 64.6 | Low | 76 Ų | 76 | 91.9 Ų | 91.9 | 40% | 0.398 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 109.8 | 172.2 | -173.6 | 72 | 0 | 0 | 0 | 108.9 | L43 Y52 L54 | L43-L45 PolarHBondContact O-N 3.36Å; L45-Y52 PolarHBondContact N-O 3.08Å; L45-Y52 PolarHBondContact O-N 2.05Å; L45-L54 HydrophobicContact CB-CD1 3.64Å; L45-L54 HydrophobicContact CD2-CD1 4.22Å; L45-L54 HydrophobicContact CG-CD1 4.46Å |
| 46 | A | 65.2 | Low | 65 | Low | 82 Ų | 82 | 88 Ų | 88 | 68% | 0.678 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 107.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 47 | L | 71.1 | Confident | 65.2 | Low | 105 Ų | 105 | 88.2 Ų | 88.2 | 55% | 0.55 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 118.4 | 172.5 | -166 | 78.7 | 0 | 0 | 0 | 108.4 | S49 T50 Y52 | L47-S49 PolarHBondContact O-N 2.81Å; L47-T50 PolarHBondContact N-O 2.88Å; L47-T50 PolarHBondContact O-N 2.92Å; L47-T50 VanDerWaalsContact O-O 3.11Å; L47-T50 PolarHBondContact O-OG1 2.61Å; L47-Y52 HydrophobicContact CB-CD2 4.43Å; L47-Y52 HydrophobicContact CB-CE2 4.34Å |
| 48 | H | 62.7 | Low | 65.2 | Low | 179 Ų | 179 | 82.9 Ų | 82.9 | 83% | 0.829 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.7 | 56.5 | 166.4 | -159 | -89.1 | 0 | 0 | 0 | 115.7 | T50 | H48-T50 VanDerWaalsContact C-N 3.27Å; H48-T50 PolarHBondContact O-N 2.93Å |
| 49 | S | 67.6 | Low | 65.5 | Low | 131 Ų | 131 | 81.4 Ų | 81.4 | 92% | 0.916 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | -4.4 | -177.5 | -51.1 | 0 | 0 | 0 | 0 | 116.7 | L47 | L47-S49 PolarHBondContact O-N 2.81Š|
| 50 | T | 67.5 | Low | 65.5 | Low | 51 Ų | 51 | 78.7 Ų | 78.7 | 31% | 0.313 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 134.4 | 176 | 48 | 0 | 0 | 0 | 0 | 111.6 | L47 H48 Y52 | L47-T50 PolarHBondContact N-O 2.88Å; L47-T50 PolarHBondContact O-N 2.92Å; L47-T50 VanDerWaalsContact O-O 3.11Å; L47-T50 PolarHBondContact O-OG1 2.61Å; H48-T50 VanDerWaalsContact C-N 3.27Å; H48-T50 PolarHBondContact O-N 2.93Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.06Å; T50-Y52 PolarHBondContact OG1-OH 3.44Å |
| 51 | R | 67.7 | Low | 65.4 | Low | 163 Ų | 163 | 78.3 Ų | 78.3 | 62% | 0.615 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 108.1 | 179.3 | -65.2 | -179.6 | -178.2 | 176.2 | 0.8 | 109.1 | I44 L71 C72 | I44-R51 HydrophobicContact CG2-CB 4.44Å; R51-L71 VanDerWaalsContact O-CA 3.29Å; R51-L71 WeakPolarHBondContact O-CA 3.43Å; R51-C72 HydrophobicContact CB-CB 4.27Å; R51-C72 PolarHBondContact O-N 2.98Å |
| 52 | Y | 69.4 | Low | 65.6 | Low | 64 Ų | 64 | 84.5 Ų | 84.5 | 25% | 0.251 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 138.6 | 178.4 | -63.3 | -77.3 | 0 | 0 | 0 | 111.4 | L45 L47 T50 F67 C72 | L45-Y52 PolarHBondContact N-O 3.08Å; L45-Y52 PolarHBondContact O-N 2.05Å; L47-Y52 HydrophobicContact CB-CD2 4.43Å; L47-Y52 HydrophobicContact CB-CE2 4.34Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.06Å; T50-Y52 PolarHBondContact OG1-OH 3.44Å; Y52-F67 HydrophobicContact CD1-CZ 4.24Å; Y52-F67 HydrophobicContact CG-CE2 4.45Å; Y52-F67 HydrophobicContact CG-CZ 4.49Å; Y52-C72 PolarHBondContact O-SG 3.32Å |
| 53 | C | 68.2 | Low | 65.6 | Low | 25 Ų | 25 | 83 Ų | 83 | 17% | 0.169 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 111.3 | 176.1 | -90.7 | 0 | 0 | 0 | 0 | 110.3 | T68 R70 C72 | C53-T68 PolarHBondContact O-N 2.8Å; C53-T68 PolarHBondContact O-OG1 2.94Å; C53-R70 PolarHBondContact N-O 3.25Å; C53-C72 WeakPolarHBondContact CA-SG 3.44Å; C53-C72 HydrophobicContact CB-CB 4.41Å; C53-C72 WeakPolarHBondContact CB-SG 2.9Å; C53-C72 PolarHBondContact N-SG 3.14Å; C53-C72 WeakPolarHBondContact SG-CA 3.29Å; C53-C72 WeakPolarHBondContact SG-CB 3.04Å; C53-C72 CovalentContact SG-SG 2.03Å; C53-C72 PolarHBondContact SG-SG 3.09Å |
| 54 | L | 68.1 | Low | 65.5 | Low | 18 Ų | 18 | 83.7 Ų | 83.7 | 9% | 0.094 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 115.9 | 164.8 | -73.4 | 141.8 | 0 | 0 | 0 | 107.5 | I42 L43 L45 M65 F67 | I42-L54 CarbonylContact C-O 3.6Å; I42-L54 WeakPolarHBondContact CA-O 3.42Å; L43-L54 HydrophobicContact CB-CB 4.04Å; L43-L54 HydrophobicContact CD2-CD1 3.67Å; L43-L54 PolarHBondContact N-O 3.44Å; L43-L54 WeakPolarHBondContact O-CB 2.94Å; L43-L54 PolarHBondContact O-N 3.22Å; L45-L54 HydrophobicContact CB-CD1 3.64Å; L45-L54 HydrophobicContact CD2-CD1 4.22Å; L45-L54 HydrophobicContact CG-CD1 4.46Å; L54-M65 HydrophobicContact CD2-CG 4Å; L54-M65 HydrophobicContact CD2-SD 3.93Å; L54-F67 HydrophobicContact CD2-CB 4.29Å; L54-F67 HydrophobicContact CD2-CD2 3.74Å; L54-F67 HydrophobicContact CG-CD2 4.17Å |
| 55 | S | 69.2 | Low | 65.3 | Low | 27 Ų | 27 | 84.3 Ų | 84.3 | 19% | 0.189 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 124.4 | 167.3 | 52.2 | 0 | 0 | 0 | 0 | 108.3 | S66 | S55-S66 PolarHBondContact N-O 2.91Å; S55-S66 VanDerWaalsContact N-O 3.11Å; S55-S66 PolarHBondContact O-N 2.96Å; S55-S66 VanDerWaalsContact O-O 3.1Å; S55-S66 PolarHBondContact OG-O 3.02Å |
| 56 | M | 65.6 | Low | 65.2 | Low | 12 Ų | 12 | 83.2 Ų | 83.2 | 6% | 0.059 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 121 | 170.9 | -162.7 | 164.7 | 79.9 | 0 | 0 | 108.1 | Y35 G41 V63 M65 | Y35-M56 HydrophobicContact CG-CE 4.42Å; G41-M56 PolarHBondContact N-O 3.09Å; G41-M56 PolarHBondContact O-N 2.97Å; M56-V63 HydrophobicContact CE-CG1 3.98Å; M56-V63 HydrophobicContact CG-CG1 3.56Å; M56-V63 HydrophobicContact SD-CG1 3.34Å; M56-V63 WeakPolarHBondContact SD-CG1 3.11Å; M56-M65 HydrophobicContact SD-CE 4.18Å |
| 57 | S | 65.6 | Low | 65 | Low | 43 Ų | 43 | 84.9 Ų | 84.9 | 30% | 0.301 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 121.9 | 173.8 | -59.9 | 0 | 0 | 0 | 0 | 108 | S64 | S57-S64 PolarHBondContact N-O 3.45Å; S57-S64 PolarHBondContact O-N 3.21Å |
| 58 | C | 63.5 | Low | 64.7 | Low | 30 Ų | 30 | 82.3 Ų | 82.3 | 20% | 0.203 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.4 | 175.6 | -56.5 | 0 | 0 | 0 | 0 | 108.2 | C36 | C36-C58 WeakPolarHBondContact CA-SG 3.48Å; C36-C58 HydrophobicContact CB-CB 3.63Å; C36-C58 WeakPolarHBondContact CB-SG 3.05Å; C36-C58 WeakPolarHBondContact SG-CB 3.4Å; C36-C58 CovalentContact SG-SG 2.05Å; C36-C58 PolarHBondContact SG-SG 2.83Å |
| 59 | S | 66.1 | Low | 64.7 | Low | 83 Ų | 83 | 78.8 Ų | 78.8 | 58% | 0.58 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 108.2 | 174.6 | 177.3 | 0 | 0 | 0 | 0 | 107.5 | N61 L62 | S59-N61 PolarHBondContact O-N 3.32Å; S59-L62 PolarHBondContact N-O 3.35Å; S59-L62 PolarHBondContact O-N 3.35Å |
| 60 | S | 60.1 | Low | 64.5 | Low | 120 Ų | 120 | 81.6 Ų | 81.6 | 84% | 0.839 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 38.7 | -33.8 | 171.2 | -24.1 | 0 | 0 | 0 | 0 | 120.6 | ||
| 61 | N | 58.9 | Low | 64.5 | Low | 164 Ų | 164 | 83 Ų | 83 | 88% | 0.877 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.1 | 3.5 | 177 | -78.4 | -43.2 | 0 | 0 | 0 | 113.7 | S59 | S59-N61 PolarHBondContact O-N 3.32Š|
| 62 | L | 62.7 | Low | 64.3 | Low | 135 Ų | 135 | 76.1 Ų | 76.1 | 71% | 0.707 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 127.8 | -176 | -72 | 163.1 | 0 | 0 | 0 | 110.3 | S59 | S59-L62 PolarHBondContact N-O 3.35Å; S59-L62 PolarHBondContact O-N 3.35Å |
| 63 | V | 62.9 | Low | 64 | Low | 74 Ų | 74 | 76.9 Ų | 76.9 | 45% | 0.448 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 108.9 | 170.5 | -174 | 0 | 0 | 0 | 0 | 107.1 | C36 M56 | C36-V63 WeakPolarHBondContact SG-CG2 3.49Å; M56-V63 HydrophobicContact CE-CG1 3.98Å; M56-V63 HydrophobicContact CG-CG1 3.56Å; M56-V63 HydrophobicContact SD-CG1 3.34Å; M56-V63 WeakPolarHBondContact SD-CG1 3.11Å |
| 64 | S | 62.1 | Low | 63.6 | Low | 68 Ų | 68 | 82.7 Ų | 82.7 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 118.4 | 172 | -171.4 | 0 | 0 | 0 | 0 | 108.8 | S57 | S57-S64 PolarHBondContact N-O 3.45Å; S57-S64 PolarHBondContact O-N 3.21Å |
| 65 | M | 62.8 | Low | 62.6 | Low | 120 Ų | 120 | 90.4 Ų | 90.4 | 59% | 0.591 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 115.4 | 173.5 | -175.7 | 175.5 | -68.6 | 0 | 0 | 108.2 | L54 M56 | L54-M65 HydrophobicContact CD2-CG 4Å; L54-M65 HydrophobicContact CD2-SD 3.93Å; M56-M65 HydrophobicContact SD-CE 4.18Å |
| 66 | S | 62.8 | Low | 62.3 | Low | 53 Ų | 53 | 93.6 Ų | 93.6 | 37% | 0.371 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118.4 | 172.9 | -68.5 | 0 | 0 | 0 | 0 | 109.2 | S55 T68 | S55-S66 PolarHBondContact N-O 2.91Å; S55-S66 VanDerWaalsContact N-O 3.11Å; S55-S66 PolarHBondContact O-N 2.96Å; S55-S66 VanDerWaalsContact O-O 3.1Å; S55-S66 PolarHBondContact OG-O 3.02Å; S66-T68 PolarHBondContact O-N 2.9Å |
| 67 | F | 61.6 | Low | 62.1 | Low | 117 Ų | 117 | 97.9 Ų | 97.9 | 51% | 0.513 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.1 | 115.3 | 172.3 | -179.7 | -106.6 | 0 | 0 | 0 | 108.7 | Y52 L54 T69 | Y52-F67 HydrophobicContact CD1-CZ 4.24Å; Y52-F67 HydrophobicContact CG-CE2 4.45Å; Y52-F67 HydrophobicContact CG-CZ 4.49Å; L54-F67 HydrophobicContact CD2-CB 4.29Å; L54-F67 HydrophobicContact CD2-CD2 3.74Å; L54-F67 HydrophobicContact CG-CD2 4.17Å; F67-T69 HydrophobicContact CD1-CG2 4.14Å; F67-T69 HydrophobicContact CE1-CG2 3.45Å; F67-T69 VanDerWaalsContact CE1-CG2 3.45Å; F67-T69 HydrophobicContact CZ-CG2 4.2Å |
| 68 | T | 64.1 | Low | 61.9 | Low | 51 Ų | 51 | 100.9 Ų | 100.9 | 31% | 0.313 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.9 | 169.2 | 63 | 0 | 0 | 0 | 0 | 108.8 | C53 S66 R70 | C53-T68 PolarHBondContact O-N 2.8Å; C53-T68 PolarHBondContact O-OG1 2.94Å; S66-T68 PolarHBondContact O-N 2.9Å; T68-R70 PolarHBondContact O-N 3.45Å; T68-R70 VanDerWaalsContact O-N 3.09Å |
| 69 | T | 61.7 | Low | 61.8 | Low | 105 Ų | 105 | 105.1 Ų | 105.1 | 64% | 0.644 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.1 | 6.1 | 178.7 | 47.6 | 0 | 0 | 0 | 0 | 113.4 | F67 | F67-T69 HydrophobicContact CD1-CG2 4.14Å; F67-T69 HydrophobicContact CE1-CG2 3.45Å; F67-T69 VanDerWaalsContact CE1-CG2 3.45Å; F67-T69 HydrophobicContact CZ-CG2 4.2Å |
| 70 | R | 63.9 | Low | 61.5 | Low | 190 Ų | 190 | 106.5 Ų | 106.5 | 72% | 0.717 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.6 | 134.9 | 178.4 | -66.5 | -173.3 | 178.6 | -174.8 | -1 | 109.8 | C53 T68 C72 | C53-R70 PolarHBondContact N-O 3.25Å; T68-R70 PolarHBondContact O-N 3.45Å; T68-R70 VanDerWaalsContact O-N 3.09Å; R70-C72 PolarHBondContact O-N 3.04Å |
| 71 | L | 67.2 | Low | 61.6 | Low | 80 Ų | 80 | 105.6 Ų | 105.6 | 42% | 0.419 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.5 | 125.7 | 171.6 | -67.8 | 168.5 | 0 | 0 | 0 | 108.3 | R51 G73 E74 | R51-L71 VanDerWaalsContact O-CA 3.29Å; R51-L71 WeakPolarHBondContact O-CA 3.43Å; L71-G73 PolarHBondContact O-N 2.84Å; L71-E74 HydrophobicContact CB-CG 4.31Å; L71-E74 WeakPolarHBondContact CB-OE2 3.32Å; L71-E74 PolarHBondContact O-N 2.03Å; L71-E74 VanDerWaalsContact O-N 3.09Å |
| 72 | C | 63.6 | Low | 61.8 | Low | 20 Ų | 20 | 101.4 Ų | 101.4 | 14% | 0.135 | 58% | 0.579 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -64.1 | 111.9 | 173.5 | -64.9 | 0 | 0 | 0 | 0 | 109.4 | I44 R51 Y52 C53 R70 | I44-C72 HydrophobicContact CG2-CB 4.37Å; R51-C72 HydrophobicContact CB-CB 4.27Å; R51-C72 PolarHBondContact O-N 2.98Å; Y52-C72 PolarHBondContact O-SG 3.32Å; C53-C72 WeakPolarHBondContact CA-SG 3.44Å; C53-C72 HydrophobicContact CB-CB 4.41Å; C53-C72 WeakPolarHBondContact CB-SG 2.9Å; C53-C72 PolarHBondContact N-SG 3.14Å; C53-C72 WeakPolarHBondContact SG-CA 3.29Å; C53-C72 WeakPolarHBondContact SG-CB 3.04Å; C53-C72 CovalentContact SG-SG 2.03Å; C53-C72 PolarHBondContact SG-SG 3.09Å; R70-C72 PolarHBondContact O-N 3.04Å |
| 73 | G | 64.3 | Low | 61.7 | Low | 79 Ų | 79 | 98.8 Ų | 98.8 | 81% | 0.814 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.2 | -1.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L71 S75 | L71-G73 PolarHBondContact O-N 2.84Å; G73-S75 VanDerWaalsContact C-N 3.31Å; G73-S75 PolarHBondContact O-N 3.22Å |
| 74 | E | 58.3 | Low | 61.7 | Low | 147 Ų | 147 | 100.9 Ų | 100.9 | 69% | 0.687 | 58% | 0.579 | S | S | * | * | trans | -79.7 | 81.9 | 157.7 | -83.8 | -178.2 | 94.5 | 0 | 0 | 109.2 | L71 | L71-E74 HydrophobicContact CB-CG 4.31Å; L71-E74 WeakPolarHBondContact CB-OE2 3.32Å; L71-E74 PolarHBondContact O-N 2.03Å; L71-E74 VanDerWaalsContact O-N 3.09Å | ||
| 75 | S | 47.5 | Very low | 61.6 | Low | 181 Ų | 181 | 103.9 Ų | 103.9 | 100% | 1.266 | 59% | 0.588 | S | S | * | * | trans | -150.2 | 0 | 160.5 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | G73 | G73-S75 VanDerWaalsContact C-N 3.31Å; G73-S75 PolarHBondContact O-N 3.22Å |
Retrieved 75 of 75 residues in 15.2 ms
(Link to these results)