| 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 | 33.9 | Very low | 25.8 | Very low | 249 Ų | 249 | 136.3 Ų | 136.3 | 100% | 1.227 | 80% | 0.804 | S | S | * | * | 0 | 104.9 | 0 | -78.4 | 169.7 | 157.3 | 0 | 0 | 107.2 | |||||
| 2 | A | 22.2 | Very low | 26 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -86.6 | 135.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | L4 | A2-L4 PolarHBondContact O-N 3.23Š| ||
| 3 | P | 26.2 | Very low | 26.2 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | trans | -68.2 | 128.6 | 175.1 | 28.1 | -30.7 | 0 | 0 | 0 | 109 | T5 | P3-T5 VanDerWaalsContact C-N 3.35Å; P3-T5 PolarHBondContact O-N 2.69Å | ||
| 4 | L | 22.9 | Very low | 26.4 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | trans | -67.4 | 93.2 | 170.4 | -72.4 | 161.4 | 0 | 0 | 0 | 108.3 | A2 A6 | A2-L4 PolarHBondContact O-N 3.23Å; L4-A6 PolarHBondContact O-N 3.36Å; L4-A6 VanDerWaalsContact O-N 3.09Å | ||
| 5 | T | 23.7 | Very low | 26.6 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -69.2 | 97.1 | 161.3 | 34.2 | 0 | 0 | 0 | 0 | 107.8 | P3 T7 | P3-T5 VanDerWaalsContact C-N 3.35Å; P3-T5 PolarHBondContact O-N 2.69Å; T5-T7 VanDerWaalsContact C-N 3.33Å; T5-T7 PolarHBondContact O-N 2.87Å | ||
| 6 | A | 23.8 | Very low | 27.1 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | -69.2 | 96 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | L4 L8 | L4-A6 PolarHBondContact O-N 3.36Å; L4-A6 VanDerWaalsContact O-N 3.09Å; A6-L8 VanDerWaalsContact C-N 3.33Å; A6-L8 PolarHBondContact O-N 3.14Å | ||
| 7 | T | 21.9 | Very low | 27.5 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | trans | -69.5 | 95.8 | 166.5 | -30.1 | 0 | 0 | 0 | 0 | 106.5 | T5 E9 | T5-T7 VanDerWaalsContact C-N 3.33Å; T5-T7 PolarHBondContact O-N 2.87Å; T7-E9 VanDerWaalsContact C-N 3.35Å; T7-E9 PolarHBondContact O-N 2.74Å | ||
| 8 | L | 26.4 | Very low | 27.8 | Very low | 145 Ų | 145 | 131.4 Ų | 131.4 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | -66.5 | 100.7 | 165.8 | -98 | 132.7 | 0 | 0 | 0 | 106.6 | A6 T10 | A6-L8 VanDerWaalsContact C-N 3.33Å; A6-L8 PolarHBondContact O-N 3.14Å; L8-T10 PolarHBondContact O-N 3.41Å | ||
| 9 | E | 23.9 | Very low | 28.1 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | -60.9 | 88 | 160.2 | -73.7 | -172.4 | 147.2 | 0 | 0 | 107.1 | T7 S11 | T7-E9 VanDerWaalsContact C-N 3.35Å; T7-E9 PolarHBondContact O-N 2.74Å; E9-S11 PolarHBondContact O-N 2.96Å | ||
| 10 | T | 30.5 | Very low | 28.2 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | -63.9 | 88 | 164.5 | -61.8 | 0 | 0 | 0 | 0 | 105.9 | L8 A12 | L8-T10 PolarHBondContact O-N 3.41Å; T10-A12 PolarHBondContact O-N 2.92Å | ||
| 11 | S | 27.8 | Very low | 28.6 | Very low | 90 Ų | 90 | 131.6 Ų | 131.6 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | trans | -55.2 | 99.7 | 162.2 | -68.5 | 0 | 0 | 0 | 0 | 105.4 | E9 L13 | E9-S11 PolarHBondContact O-N 2.96Å; S11-L13 PolarHBondContact O-N 3.03Å | ||
| 12 | A | 28.5 | Very low | 28.5 | Very low | 83 Ų | 83 | 130.4 Ų | 130.4 | 69% | 0.686 | 73% | 0.725 | S | S | * | * | trans | -61.3 | 75.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | T10 L14 | T10-A12 PolarHBondContact O-N 2.92Å; A12-L14 PolarHBondContact O-N 2.79Å | ||
| 13 | L | 28.4 | Very low | 28.9 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 71% | 0.707 | 70% | 0.698 | S | S | * | * | trans | -63.2 | 95.6 | 162.5 | -75 | 172.6 | 0 | 0 | 0 | 104.3 | S11 L15 | S11-L13 PolarHBondContact O-N 3.03Å; L13-L15 HydrophobicContact CB-CD1 4.16Å; L13-L15 HydrophobicContact CB-CG 4.25Å; L13-L15 PolarHBondContact O-N 3.09Å | ||
| 14 | L | 29.8 | Very low | 29 | Very low | 169 Ų | 169 | 126.8 Ų | 126.8 | 89% | 0.885 | 70% | 0.697 | S | S | * | * | trans | -55.3 | 53.1 | 161.4 | -71.8 | 158.6 | 0 | 0 | 0 | 110 | A12 P16 | A12-L14 PolarHBondContact O-N 2.79Å; L14-P16 WeakPolarHBondContact O-CD 3.1Å | ||
| 15 | L | 28.8 | Very low | 29.5 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 64% | 0.644 | 68% | 0.683 | S | S | * | * | trans | -84 | 116.8 | 166.1 | -71.1 | 167 | 0 | 0 | 0 | 104.9 | L13 W17 | L13-L15 HydrophobicContact CB-CD1 4.16Å; L13-L15 HydrophobicContact CB-CG 4.25Å; L13-L15 PolarHBondContact O-N 3.09Å; L15-W17 PolarHBondContact O-N 3.06Å | ||
| 16 | P | 34.1 | Very low | 29.6 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 74% | 0.74 | 69% | 0.688 | S | S | * | * | trans | -66.5 | 87 | 170 | 28.4 | -30.7 | 0 | 0 | 0 | 106.5 | L14 S18 | L14-P16 WeakPolarHBondContact O-CD 3.1Å; P16-S18 PolarHBondContact O-N 3.02Å; P16-S18 PolarHBondContact O-OG 3.46Å | ||
| 17 | W | 34.6 | Very low | 29.7 | Very low | 130 Ų | 130 | 124.4 Ų | 124.4 | 49% | 0.492 | 69% | 0.694 | S | S | . | * | trans | -62.8 | 102.2 | 174.5 | 62.4 | -70 | 0 | 0 | 0 | 106.5 | L15 A19 V85 | L15-W17 PolarHBondContact O-N 3.06Å; W17-A19 VanDerWaalsContact C-N 3.27Å; W17-A19 HydrophobicContact CE3-CB 3.75Å; W17-A19 HydrophobicContact CH2-CB 4.45Å; W17-A19 HydrophobicContact CZ3-CB 3.57Å; W17-A19 PolarHBondContact O-N 3Å; W17-V85 HydrophobicContact CH2-CB 3.8Å; W17-V85 HydrophobicContact CH2-CG1 3.65Å; W17-V85 HydrophobicContact CH2-CG2 4.34Å; W17-V85 HydrophobicContact CZ2-CB 3.62Å; W17-V85 HydrophobicContact CZ2-CG1 3.61Å | ||
| 18 | S | 32.9 | Very low | 29.9 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 79% | 0.79 | 70% | 0.695 | S | S | * | * | trans | -77.7 | 84.3 | 176.6 | -53.7 | 0 | 0 | 0 | 0 | 107.3 | P16 R20 | P16-S18 PolarHBondContact O-N 3.02Å; P16-S18 PolarHBondContact O-OG 3.46Å; S18-R20 PolarHBondContact O-N 2.8Å; S18-R20 VanDerWaalsContact O-N 3.09Å | ||
| 19 | A | 34 | Very low | 29.9 | Very low | 67 Ų | 67 | 122.8 Ų | 122.8 | 55% | 0.554 | 70% | 0.701 | S | S | * | * | trans | -65.9 | 108.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | W17 Y21 | W17-A19 VanDerWaalsContact C-N 3.27Å; W17-A19 HydrophobicContact CE3-CB 3.75Å; W17-A19 HydrophobicContact CH2-CB 4.45Å; W17-A19 HydrophobicContact CZ3-CB 3.57Å; W17-A19 PolarHBondContact O-N 3Å; A19-Y21 PolarHBondContact O-N 3.01Å | ||
| 20 | R | 30 | Very low | 30 | Very low | 254 Ų | 254 | 124.3 Ų | 124.3 | 96% | 0.958 | 70% | 0.699 | S | S | * | * | trans | -76.1 | 112.9 | 168.1 | -92.4 | -175.1 | -175.3 | 173.9 | 2.9 | 108.6 | S18 | S18-R20 PolarHBondContact O-N 2.8Å; S18-R20 VanDerWaalsContact O-N 3.09Å | ||
| 21 | Y | 36.1 | Very low | 29.9 | Very low | 76 Ų | 76 | 124 Ų | 124 | 30% | 0.298 | 71% | 0.708 | S | S | . | * | trans | -89 | 137.8 | 177.3 | -178.5 | -91.3 | 0 | 0 | 0 | 111.4 | A19 S23 M34 F81 | A19-Y21 PolarHBondContact O-N 3.01Å; Y21-S23 VanDerWaalsContact CE1-CA 3.49Å; Y21-S23 WeakPolarHBondContact OH-CB 3.08Å; Y21-S23 PolarHBondContact OH-OG 2.82Å; Y21-M34 HydrophobicContact CE2-SD 3.99Å; Y21-M34 WeakPolarHBondContact OH-CE 3.38Å; Y21-M34 PolarHBondContact OH-SD 3.23Å; Y21-F81 AromaticContact CD1-CD1 3.92Å; Y21-F81 HydrophobicContact CD1-CD1 3.92Å; Y21-F81 AromaticContact CD1-CD2 3.81Å; Y21-F81 HydrophobicContact CD1-CD2 3.81Å; Y21-F81 AromaticContact CD1-CE1 3.64Å; Y21-F81 HydrophobicContact CD1-CE1 3.64Å; Y21-F81 AromaticContact CD1-CE2 3.44Å; Y21-F81 HydrophobicContact CD1-CE2 3.44Å; Y21-F81 VanDerWaalsContact CD1-CE2 3.44Å; Y21-F81 HydrophobicContact CD1-CG 4.07Å; Y21-F81 AromaticContact CD1-CZ 3.41Å; Y21-F81 HydrophobicContact CD1-CZ 3.41Å; Y21-F81 VanDerWaalsContact CD1-CZ 3.41Å; Y21-F81 AromaticContact CD2-CE2 3.87Å; Y21-F81 HydrophobicContact CD2-CE2 3.87Å; Y21-F81 AromaticContact CD2-CZ 3.9Å; Y21-F81 HydrophobicContact CD2-CZ 3.9Å; Y21-F81 AromaticContact CE1-CD1 3.5Å; Y21-F81 HydrophobicContact CE1-CD1 3.5Å; Y21-F81 HydrophobicContact CE1-CD2 4.06Å; Y21-F81 AromaticContact CE1-CE1 2.87Å; Y21-F81 HydrophobicContact CE1-CE1 2.87Å; Y21-F81 AromaticContact CE1-CE2 3.46Å; Y21-F81 HydrophobicContact CE1-CE2 3.46Å; Y21-F81 VanDerWaalsContact CE1-CE2 3.46Å; Y21-F81 HydrophobicContact CE1-CG 4.1Å; Y21-F81 AromaticContact CE1-CZ 2.87Å; Y21-F81 HydrophobicContact CE1-CZ 2.87Å; Y21-F81 HydrophobicContact CE2-CE1 4.21Å; Y21-F81 AromaticContact CE2-CE2 3.87Å; Y21-F81 HydrophobicContact CE2-CE2 3.87Å; Y21-F81 AromaticContact CE2-CZ 3.42Å; Y21-F81 HydrophobicContact CE2-CZ 3.42Å; Y21-F81 VanDerWaalsContact CE2-CZ 3.42Å; Y21-F81 HydrophobicContact CG-CD2 4.26Å; Y21-F81 AromaticContact CG-CE2 3.67Å; Y21-F81 HydrophobicContact CG-CE2 3.67Å; Y21-F81 AromaticContact CG-CZ 3.9Å; Y21-F81 HydrophobicContact CG-CZ 3.9Å; Y21-F81 AromaticContact CZ-CE1 3.24Å; Y21-F81 AromaticContact CZ-CE2 3.69Å; Y21-F81 AromaticContact CZ-CZ 2.88Å; Y21-F81 WeakPolarHBondContact OH-CE1 3.37Å; Y21-F81 WeakPolarHBondContact OH-CZ 3.39Å | ||
| 22 | R | 31 | Very low | 29.9 | Very low | 224 Ų | 224 | 129.9 Ų | 129.9 | 85% | 0.845 | 72% | 0.717 | S | S | * | * | trans | -132.7 | 98.2 | 170 | -168.1 | -178.2 | -167.1 | -147.3 | 2.4 | 110 | ||||
| 23 | S | 31.2 | Very low | 30.1 | Very low | 26 Ų | 26 | 132.2 Ų | 132.2 | 18% | 0.182 | 73% | 0.725 | C | S | . | * | trans | -79.4 | 134 | 164.6 | -115.7 | 0 | 0 | 0 | 0 | 108.4 | Y21 S25 | Y21-S23 VanDerWaalsContact CE1-CA 3.49Å; Y21-S23 WeakPolarHBondContact OH-CB 3.08Å; Y21-S23 PolarHBondContact OH-OG 2.82Å; S23-S25 PolarHBondContact OG-OG 3.09Å | ||
| 24 | S | 29.5 | Very low | 30.3 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | trans | -108.2 | 94.3 | 153.8 | -52.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 25 | S | 32 | Very low | 30.3 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | trans | -96.6 | 103.9 | 175.8 | -58.7 | 0 | 0 | 0 | 0 | 109 | S23 | S23-S25 PolarHBondContact OG-OG 3.09Š| ||
| 26 | S | 26.4 | Very low | 30.7 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 84% | 0.839 | 70% | 0.698 | S | S | * | * | trans | -77.8 | 125.8 | 157.9 | -60.7 | 0 | 0 | 0 | 0 | 108.1 | S28 | S26-S28 PolarHBondContact O-N 3Š| ||
| 27 | S | 25.9 | Very low | 30.7 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 88% | 0.881 | 70% | 0.704 | S | S | * | * | trans | -39.2 | 115.9 | -173.5 | -49.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 28 | S | 27.2 | Very low | 30.6 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | trans | -160.5 | 130.7 | 150.4 | -167 | 0 | 0 | 0 | 0 | 111.6 | S26 R30 | S26-S28 PolarHBondContact O-N 3Å; S28-R30 VanDerWaalsContact C-N 3.29Å; S28-R30 PolarHBondContact O-N 2.81Å | ||
| 29 | S | 25.3 | Very low | 30.4 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 89% | 0.888 | 70% | 0.696 | S | S | * | * | trans | -73.3 | 43.7 | -169.1 | 50.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 30 | R | 26.3 | Very low | 30.2 | Very low | 209 Ų | 209 | 126.6 Ų | 126.6 | 79% | 0.789 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -132.7 | 120.3 | 174.3 | -118 | 170.7 | 168.3 | 169.3 | -5.4 | 109.6 | S28 R32 | S28-R30 VanDerWaalsContact C-N 3.29Å; S28-R30 PolarHBondContact O-N 2.81Å; R30-R32 PolarHBondContact O-N 2.76Å |
| 31 | A | 29.2 | Very low | 30.1 | Very low | 113 Ų | 113 | 119.1 Ų | 119.1 | 93% | 0.934 | 68% | 0.679 | S | S | * | * | trans | -55.1 | 104.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 32 | R | 27.5 | Very low | 29.7 | Very low | 215 Ų | 215 | 119.2 Ų | 119.2 | 81% | 0.811 | 69% | 0.687 | S | S | * | * | trans | -99.8 | 145.6 | 173.2 | -73.4 | -164 | 171.9 | -151.2 | -0.8 | 108.6 | R30 M34 | R30-R32 PolarHBondContact O-N 2.76Å; R32-M34 PolarHBondContact O-N 3.12Å | ||
| 33 | P | 31.9 | Very low | 29.4 | Very low | 131 Ų | 131 | 114.3 Ų | 114.3 | 85% | 0.851 | 68% | 0.682 | S | S | * | * | trans | -56.1 | 129.1 | 170.3 | 24.3 | -31.8 | 0 | 0 | 0 | 108.6 | ||||
| 34 | M | 32.7 | Very low | 29.1 | Very low | 84 Ų | 84 | 119.8 Ų | 119.8 | 41% | 0.414 | 71% | 0.709 | S | S | . | * | trans | -90.3 | 114.6 | 179.7 | -178.8 | 173 | -84.2 | 0 | 0 | 107.8 | Y21 R32 I36 F81 | Y21-M34 HydrophobicContact CE2-SD 3.99Å; Y21-M34 WeakPolarHBondContact OH-CE 3.38Å; Y21-M34 PolarHBondContact OH-SD 3.23Å; R32-M34 PolarHBondContact O-N 3.12Å; M34-I36 HydrophobicContact CG-CG1 4.36Å; M34-F81 HydrophobicContact CE-CE1 3.86Å; M34-F81 HydrophobicContact CE-CZ 3.67Å; M34-F81 HydrophobicContact SD-CZ 3.72Å | ||
| 35 | E | 30.6 | Very low | 28.9 | Very low | 191 Ų | 191 | 123.1 Ų | 123.1 | 89% | 0.893 | 71% | 0.713 | S | S | * | * | trans | -73.5 | 131.8 | 168.8 | -80.4 | 179.6 | 156.4 | 0 | 0 | 109 | ||||
| 36 | I | 36.7 | Very low | 28.6 | Very low | 73 Ų | 73 | 127 Ų | 127 | 37% | 0.374 | 73% | 0.727 | S | S | . | * | trans | -117.6 | 105 | -178 | -60.6 | 170.1 | 0 | 0 | 0 | 107 | M34 V38 L55 | M34-I36 HydrophobicContact CG-CG1 4.36Å; I36-V38 HydrophobicContact CG2-CG2 3.64Å; I36-V38 PolarHBondContact O-N 3.2Å; I36-L55 HydrophobicContact CD1-CD1 3.19Å | ||
| 37 | D | 33.3 | Very low | 28.6 | Very low | 160 Ų | 160 | 125.9 Ų | 125.9 | 86% | 0.856 | 72% | 0.715 | S | S | * | * | trans | -80.7 | 96.9 | 167 | -85.8 | -34.2 | 0 | 0 | 0 | 108.8 | C39 | D37-C39 PolarHBondContact O-N 3.35Š| ||
| 38 | V | 33.1 | Very low | 28.7 | Very low | 56 Ų | 56 | 125.4 Ų | 125.4 | 34% | 0.339 | 71% | 0.712 | S | S | . | * | trans | -83.3 | 96.3 | 168.4 | -174.8 | 0 | 0 | 0 | 0 | 107.7 | I36 P40 | I36-V38 HydrophobicContact CG2-CG2 3.64Å; I36-V38 PolarHBondContact O-N 3.2Å; V38-P40 WeakPolarHBondContact O-CD 3.3Å | ||
| 39 | C | 28.3 | Very low | 28.8 | Very low | 115 Ų | 115 | 123 Ų | 123 | 78% | 0.777 | 69% | 0.692 | S | S | * | * | trans | -80.5 | 108.5 | 165.8 | -75 | 0 | 0 | 0 | 0 | 109 | D37 A41 | D37-C39 PolarHBondContact O-N 3.35Å; C39-A41 PolarHBondContact O-N 2.72Å | ||
| 40 | P | 30.1 | Very low | 29.2 | Very low | 55 Ų | 55 | 123.2 Ų | 123.2 | 36% | 0.357 | 68% | 0.684 | S | S | . | * | trans | -61.7 | 131.8 | 164.6 | 24.8 | -29.9 | 0 | 0 | 0 | 108.4 | V38 V42 | V38-P40 WeakPolarHBondContact O-CD 3.3Å; P40-V42 HydrophobicContact CB-CG2 3.9Å; P40-V42 HydrophobicContact CG-CG2 3.79Å; P40-V42 PolarHBondContact O-N 2.71Å | ||
| 41 | A | 27.2 | Very low | 29.5 | Very low | 97 Ų | 97 | 119.2 Ų | 119.2 | 80% | 0.802 | 67% | 0.668 | S | S | * | * | trans | -69.1 | 78.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | C39 T43 | C39-A41 PolarHBondContact O-N 2.72Å; A41-T43 PolarHBondContact O-N 2.81Å | ||
| 42 | V | 28 | Very low | 29.6 | Very low | 77 Ų | 77 | 123.6 Ų | 123.6 | 47% | 0.467 | 66% | 0.661 | S | S | . | * | trans | -70.3 | 100.3 | 171.6 | -170.3 | 0 | 0 | 0 | 0 | 105.9 | P40 | P40-V42 HydrophobicContact CB-CG2 3.9Å; P40-V42 HydrophobicContact CG-CG2 3.79Å; P40-V42 PolarHBondContact O-N 2.71Å | ||
| 43 | T | 25.4 | Very low | 29.8 | Very low | 121 Ų | 121 | 116.1 Ų | 116.1 | 74% | 0.742 | 64% | 0.641 | S | S | * | * | trans | -84 | 112.6 | 164.3 | 36.5 | 0 | 0 | 0 | 0 | 106.2 | A41 | A41-T43 PolarHBondContact O-N 2.81Š| ||
| 44 | N | 25.3 | Very low | 29.8 | Very low | 142 Ų | 142 | 114.8 Ų | 114.8 | 76% | 0.759 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 77.1 | 114.6 | 174.4 | -53.2 | -44.3 | 0 | 0 | 0 | 116.4 | ||
| 45 | E | 24.2 | Very low | 30 | Very low | 172 Ų | 172 | 113.4 Ų | 113.4 | 80% | 0.804 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 89.4 | 134.1 | 157.1 | -39.3 | -148 | 159.5 | 0 | 0 | 117.3 | V47 | E45-V47 PolarHBondContact O-N 2.8Š|
| 46 | D | 25.6 | Very low | 30.2 | Very low | 175 Ų | 175 | 109.6 Ų | 109.6 | 94% | 0.936 | 61% | 0.61 | S | S | * | * | trans | -53.6 | 76.6 | -165.1 | -72.2 | -66.2 | 0 | 0 | 0 | 116 | ||||
| 47 | V | 27.7 | Very low | 30.2 | Very low | 95 Ų | 95 | 113.7 Ų | 113.7 | 58% | 0.576 | 63% | 0.627 | S | S | * | * | trans | -125 | 102.8 | 171.1 | -168.8 | 0 | 0 | 0 | 0 | 110.9 | E45 V49 | E45-V47 PolarHBondContact O-N 2.8Å; V47-V49 HydrophobicContact CG1-CG2 3.65Å; V47-V49 PolarHBondContact O-N 3.31Å | ||
| 48 | S | 27.2 | Very low | 30.6 | Very low | 117 Ų | 117 | 111.2 Ų | 111.2 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | trans | -74.5 | 113.8 | 161.8 | 154.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 49 | V | 29.8 | Very low | 30.8 | Very low | 57 Ų | 57 | 115.3 Ų | 115.3 | 35% | 0.345 | 63% | 0.626 | S | S | . | * | trans | -110.2 | 108.6 | 172 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | V47 R51 | V47-V49 HydrophobicContact CG1-CG2 3.65Å; V47-V49 PolarHBondContact O-N 3.31Å; V49-R51 HydrophobicContact CG1-CB 4.14Å; V49-R51 HydrophobicContact CG1-CG 3.61Å; V49-R51 PolarHBondContact O-N 3.28Å; V49-R51 VanDerWaalsContact O-N 3.12Å | ||
| 50 | D | 33.1 | Very low | 31.3 | Very low | 133 Ų | 133 | 114.9 Ų | 114.9 | 71% | 0.711 | 62% | 0.622 | S | S | * | * | trans | -78.3 | 89.1 | 167 | -169.2 | 7.6 | 0 | 0 | 0 | 108.5 | ||||
| 51 | R | 31.8 | Very low | 31.6 | Very low | 124 Ų | 124 | 117.3 Ų | 117.3 | 47% | 0.468 | 63% | 0.631 | S | S | . | * | trans | -94.8 | 94.9 | -179.4 | -109.4 | 171.9 | -167.1 | 146.6 | 3.8 | 109.5 | V49 S53 V90 | V49-R51 HydrophobicContact CG1-CB 4.14Å; V49-R51 HydrophobicContact CG1-CG 3.61Å; V49-R51 PolarHBondContact O-N 3.28Å; V49-R51 VanDerWaalsContact O-N 3.12Å; R51-S53 PolarHBondContact O-N 3.31Å; R51-V90 HydrophobicContact CG-CG1 4.19Å | ||
| 52 | R | 31.2 | Very low | 31.8 | Very low | 205 Ų | 205 | 114.1 Ų | 114.1 | 77% | 0.774 | 61% | 0.608 | S | S | * | * | trans | -80.7 | 98.1 | 163.5 | -71.9 | -175.4 | -179.5 | 179.2 | -0.8 | 109.8 | ||||
| 53 | S | 33.1 | Very low | 32.1 | Very low | 58 Ų | 58 | 117.9 Ų | 117.9 | 41% | 0.406 | 62% | 0.622 | S | S | . | * | trans | -86.2 | 116 | 168.6 | 47.9 | 0 | 0 | 0 | 0 | 110.4 | R51 L55 | R51-S53 PolarHBondContact O-N 3.31Å; S53-L55 PolarHBondContact O-N 3.22Å | ||
| 54 | T | 30.8 | Very low | 32.6 | Very low | 103 Ų | 103 | 114.7 Ų | 114.7 | 63% | 0.632 | 61% | 0.605 | S | S | * | * | trans | -71.4 | 109.9 | 166.7 | 17.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 55 | L | 38 | Very low | 32.9 | Very low | 55 Ų | 55 | 111.9 Ų | 111.9 | 29% | 0.288 | 60% | 0.601 | S | S | . | * | trans | -76.7 | 120.7 | 171 | -104.9 | 116.3 | 0 | 0 | 0 | 110.2 | I36 S53 Q58 V85 | I36-L55 HydrophobicContact CD1-CD1 3.19Å; S53-L55 PolarHBondContact O-N 3.22Å; L55-Q58 HydrophobicContact CD2-CG 3.43Å; L55-Q58 VanDerWaalsContact CD2-CG 3.43Å; L55-V85 HydrophobicContact CD1-CG1 4.3Å; L55-V85 HydrophobicContact CD2-CG1 4.14Å; L55-V85 HydrophobicContact CG-CG1 4.19Å | ||
| 56 | I | 35 | Very low | 33.3 | Very low | 112 Ų | 112 | 111 Ų | 111 | 57% | 0.574 | 60% | 0.597 | S | S | * | * | trans | -98.9 | -28.2 | 179.9 | -61.3 | 178.6 | 0 | 0 | 0 | 111.6 | L88 | I56-L88 HydrophobicContact CB-CD1 4.1Å; I56-L88 HydrophobicContact CD1-CB 4.14Å; I56-L88 HydrophobicContact CD1-CD1 3.96Å; I56-L88 HydrophobicContact CG2-CD1 4.29Å | ||
| 57 | Q | 35.8 | Very low | 33.7 | Very low | 159 Ų | 159 | 105.4 Ų | 105.4 | 74% | 0.743 | 58% | 0.581 | S | S | * | * | trans | -147.7 | 127.5 | 175.6 | -76.4 | -177 | -23.8 | 0 | 0 | 111.6 | ||||
| 58 | Q | 42.5 | Very low | 34.1 | Very low | 107 Ų | 107 | 104.2 Ų | 104.2 | 50% | 0.5 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.7 | 115.1 | 164.5 | -69.2 | -178.6 | -40.1 | 0 | 0 | 107.2 | L55 | L55-Q58 HydrophobicContact CD2-CG 3.43Å; L55-Q58 VanDerWaalsContact CD2-CG 3.43Å |
| 59 | Q | 37.3 | Very low | 34.2 | Very low | 143 Ų | 143 | 102.9 Ų | 102.9 | 67% | 0.668 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 115.1 | 166.8 | -157 | 172.9 | -4.4 | 0 | 0 | 107.6 | L61 C83 D84 | Q59-L61 PolarHBondContact O-N 2.73Å; Q59-L61 VanDerWaalsContact O-N 3.16Å; Q59-C83 WeakPolarHBondContact O-CA 3.36Å; Q59-D84 PolarHBondContact O-N 2.9Å |
| 60 | P | 38.5 | Very low | 34.7 | Very low | 106 Ų | 106 | 102.5 Ų | 102.5 | 69% | 0.688 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -65.5 | 116 | 177.4 | -14.3 | 27.1 | 0 | 0 | 0 | 109.1 | ||
| 61 | L | 35.5 | Very low | 34.8 | Very low | 105 Ų | 105 | 103.2 Ų | 103.2 | 55% | 0.55 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.7 | -25.1 | 174.5 | -78.9 | 174.5 | 0 | 0 | 0 | 111.9 | Q59 Y82 D84 | Q59-L61 PolarHBondContact O-N 2.73Å; Q59-L61 VanDerWaalsContact O-N 3.16Å; L61-Y82 PolarHBondContact N-O 2.94Å; L61-D84 HydrophobicContact CD1-CB 4.2Å; L61-D84 VanDerWaalsContact CD1-CG 3.42Å; L61-D84 VanDerWaalsContact CD1-OD1 3.3Å; L61-D84 WeakPolarHBondContact CD1-OD1 3.42Å; L61-D84 WeakPolarHBondContact CD2-OD2 3.29Å; L61-D84 HydrophobicContact CG-CB 4.39Å |
| 62 | G | 32.9 | Very low | 35.2 | Very low | 30 Ų | 30 | 101 Ų | 101 | 31% | 0.309 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 165.3 | 160.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y82 | G62-Y82 PolarHBondContact O-N 3.27Å |
| 63 | M | 34.7 | Very low | 35.7 | Very low | 156 Ų | 156 | 93.6 Ų | 93.6 | 77% | 0.768 | 57% | 0.567 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -124.2 | 125.9 | 172.6 | -69.2 | 175.4 | 63.3 | 0 | 0 | 108.1 | F81 | M63-F81 HydrophobicContact CG-CB 4.49Å |
| 64 | S | 35.3 | Very low | 36.1 | Very low | 54 Ų | 54 | 95.1 Ų | 95.1 | 38% | 0.378 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.9 | 115.4 | 167.5 | 52.1 | 0 | 0 | 0 | 0 | 108.9 | T80 | S64-T80 PolarHBondContact N-O 3.46Å; S64-T80 PolarHBondContact O-N 3.15Å |
| 65 | A | 30.5 | Very low | 36.2 | Very low | 84 Ų | 84 | 98 Ų | 98 | 69% | 0.694 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 121.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 66 | H | 33.5 | Very low | 35.9 | Very low | 152 Ų | 152 | 101.1 Ų | 101.1 | 70% | 0.704 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.3 | 119.7 | 174 | -134.4 | -75.9 | 0 | 0 | 0 | 108.8 | S78 | H66-S78 PolarHBondContact N-O 3.32Å; H66-S78 PolarHBondContact O-N 3.09Å |
| 67 | G | 34.7 | Very low | 35.7 | Very low | 58 Ų | 58 | 100.4 Ų | 100.4 | 60% | 0.598 | 60% | 0.599 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102 | 136.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | F76 | G67-F76 CarbonylContact C-O 3.51Å; G67-F76 VanDerWaalsContact CA-O 3.29Å; G67-F76 WeakPolarHBondContact CA-O 3.34Å |
| 68 | S | 34.4 | Very low | 35.8 | Very low | 70 Ų | 70 | 96.5 Ų | 96.5 | 49% | 0.49 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.8 | 132.2 | 167.2 | 65 | 0 | 0 | 0 | 0 | 109.7 | F76 | S68-F76 PolarHBondContact N-O 3.41Å; S68-F76 PolarHBondContact O-N 2.9Å |
| 69 | T | 30.9 | Very low | 35.4 | Very low | 90 Ų | 90 | 94.4 Ų | 94.4 | 55% | 0.552 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.4 | 173.6 | -47.7 | 0 | 0 | 0 | 0 | 108.1 | N74 Q75 | T69-N74 WeakPolarHBondContact CA-O 3.2Å; T69-Q75 HydrophobicContact CG2-CG 4.17Å |
| 70 | N | 38.7 | Very low | 35.4 | Very low | 49 Ų | 49 | 89.8 Ų | 89.8 | 26% | 0.262 | 57% | 0.568 | S | S | . | * | trans | -72.5 | 165.4 | 173.3 | 79.3 | 0.6 | 0 | 0 | 0 | 110.4 | A72 G73 N74 F76 | N70-A72 PolarHBondContact O-N 3.39Å; N70-A72 WeakPolarHBondContact OD1-CA 3.46Å; N70-A72 WeakPolarHBondContact OD1-CB 3.41Å; N70-A72 PolarHBondContact OD1-N 3.16Å; N70-G73 PolarHBondContact O-N 3.32Å; N70-G73 PolarHBondContact OD1-N 3.43Å; N70-G73 VanDerWaalsContact OD1-N 3.09Å; N70-N74 PolarHBondContact N-O 2.97Å; N70-N74 PolarHBondContact ND2-ND2 2.55Å; N70-N74 WeakPolarHBondContact OD1-CB 3.32Å; N70-N74 PolarHBondContact OD1-N 3.28Å; N70-F76 HydrophobicContact CB-CE2 4.3Å | ||
| 71 | P | 35.2 | Very low | 35.2 | Very low | 147 Ų | 147 | 87.1 Ų | 87.1 | 96% | 0.955 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -18.5 | 178.3 | -25 | 34.7 | 0 | 0 | 0 | 114.7 | G73 | P71-G73 VanDerWaalsContact C-N 3.28Š|
| 72 | A | 41.5 | Very low | 35.4 | Very low | 79 Ų | 79 | 88.4 Ų | 88.4 | 65% | 0.653 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 1.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N70 | N70-A72 PolarHBondContact O-N 3.39Å; N70-A72 WeakPolarHBondContact OD1-CA 3.46Å; N70-A72 WeakPolarHBondContact OD1-CB 3.41Å; N70-A72 PolarHBondContact OD1-N 3.16Å |
| 73 | G | 40.7 | Very low | 35.5 | Very low | 48 Ų | 48 | 88.6 Ų | 88.6 | 50% | 0.495 | 54% | 0.541 | S | S | . | . | S | Bend | trans | 85.5 | 2.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.9 | N70 P71 Q75 | N70-G73 PolarHBondContact O-N 3.32Å; N70-G73 PolarHBondContact OD1-N 3.43Å; N70-G73 VanDerWaalsContact OD1-N 3.09Å; P71-G73 VanDerWaalsContact C-N 3.28Å; G73-Q75 PolarHBondContact O-N 3.41Å |
| 74 | N | 41.2 | Very low | 35.7 | Very low | 90 Ų | 90 | 85.2 Ų | 85.2 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | trans | -75.3 | 122.8 | 178 | -57.5 | -25 | 0 | 0 | 0 | 109.7 | T69 N70 F76 | T69-N74 WeakPolarHBondContact CA-O 3.2Å; N70-N74 PolarHBondContact N-O 2.97Å; N70-N74 PolarHBondContact ND2-ND2 2.55Å; N70-N74 WeakPolarHBondContact OD1-CB 3.32Å; N70-N74 PolarHBondContact OD1-N 3.28Å; N74-F76 HydrophobicContact CB-CE2 3.91Å; N74-F76 HydrophobicContact CB-CZ 4.38Å | ||
| 75 | Q | 33.7 | Very low | 35.8 | Very low | 165 Ų | 165 | 84.7 Ų | 84.7 | 77% | 0.771 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 123.6 | 177 | -64.5 | 179.8 | -0.4 | 0 | 0 | 110 | T69 G73 | T69-Q75 HydrophobicContact CG2-CG 4.17Å; G73-Q75 PolarHBondContact O-N 3.41Å |
| 76 | F | 30.7 | Very low | 36.1 | Very low | 120 Ų | 120 | 85.5 Ų | 85.5 | 53% | 0.526 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 118 | 169.8 | -64.8 | -87.5 | 0 | 0 | 0 | 107.8 | G67 S68 N70 N74 | G67-F76 CarbonylContact C-O 3.51Å; G67-F76 VanDerWaalsContact CA-O 3.29Å; G67-F76 WeakPolarHBondContact CA-O 3.34Å; S68-F76 PolarHBondContact N-O 3.41Å; S68-F76 PolarHBondContact O-N 2.9Å; N70-F76 HydrophobicContact CB-CE2 4.3Å; N74-F76 HydrophobicContact CB-CE2 3.91Å; N74-F76 HydrophobicContact CB-CZ 4.38Å |
| 77 | A | 31.4 | Very low | 36.5 | Very low | 97 Ų | 97 | 81.4 Ų | 81.4 | 80% | 0.802 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 120.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 78 | S | 39.1 | Very low | 36.5 | Very low | 76 Ų | 76 | 83.9 Ų | 83.9 | 53% | 0.531 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 120.8 | 171.3 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | H66 | H66-S78 PolarHBondContact N-O 3.32Å; H66-S78 PolarHBondContact O-N 3.09Å |
| 79 | S | 33.5 | Very low | 36.6 | Very low | 63 Ų | 63 | 83.3 Ų | 83.3 | 44% | 0.441 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 123 | 172.7 | 37 | 0 | 0 | 0 | 0 | 109.3 | ||
| 80 | T | 37.7 | Very low | 36.9 | Very low | 47 Ų | 47 | 83.2 Ų | 83.2 | 29% | 0.288 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 128.2 | 171.9 | -47.6 | 0 | 0 | 0 | 0 | 107.3 | S64 Y82 | S64-T80 PolarHBondContact N-O 3.46Å; S64-T80 PolarHBondContact O-N 3.15Å; T80-Y82 HydrophobicContact CG2-CE1 4.18Å; T80-Y82 HydrophobicContact CG2-CE2 4.11Å |
| 81 | F | 34.1 | Very low | 36.5 | Very low | 49 Ų | 49 | 88 Ų | 88 | 22% | 0.215 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 142 | 171.8 | 64.7 | -109.4 | 0 | 0 | 0 | 109.9 | Y21 M34 M63 | Y21-F81 AromaticContact CD1-CD1 3.92Å; Y21-F81 HydrophobicContact CD1-CD1 3.92Å; Y21-F81 AromaticContact CD1-CD2 3.81Å; Y21-F81 HydrophobicContact CD1-CD2 3.81Å; Y21-F81 AromaticContact CD1-CE1 3.64Å; Y21-F81 HydrophobicContact CD1-CE1 3.64Å; Y21-F81 AromaticContact CD1-CE2 3.44Å; Y21-F81 HydrophobicContact CD1-CE2 3.44Å; Y21-F81 VanDerWaalsContact CD1-CE2 3.44Å; Y21-F81 HydrophobicContact CD1-CG 4.07Å; Y21-F81 AromaticContact CD1-CZ 3.41Å; Y21-F81 HydrophobicContact CD1-CZ 3.41Å; Y21-F81 VanDerWaalsContact CD1-CZ 3.41Å; Y21-F81 AromaticContact CD2-CE2 3.87Å; Y21-F81 HydrophobicContact CD2-CE2 3.87Å; Y21-F81 AromaticContact CD2-CZ 3.9Å; Y21-F81 HydrophobicContact CD2-CZ 3.9Å; Y21-F81 AromaticContact CE1-CD1 3.5Å; Y21-F81 HydrophobicContact CE1-CD1 3.5Å; Y21-F81 HydrophobicContact CE1-CD2 4.06Å; Y21-F81 AromaticContact CE1-CE1 2.87Å; Y21-F81 HydrophobicContact CE1-CE1 2.87Å; Y21-F81 AromaticContact CE1-CE2 3.46Å; Y21-F81 HydrophobicContact CE1-CE2 3.46Å; Y21-F81 VanDerWaalsContact CE1-CE2 3.46Å; Y21-F81 HydrophobicContact CE1-CG 4.1Å; Y21-F81 AromaticContact CE1-CZ 2.87Å; Y21-F81 HydrophobicContact CE1-CZ 2.87Å; Y21-F81 HydrophobicContact CE2-CE1 4.21Å; Y21-F81 AromaticContact CE2-CE2 3.87Å; Y21-F81 HydrophobicContact CE2-CE2 3.87Å; Y21-F81 AromaticContact CE2-CZ 3.42Å; Y21-F81 HydrophobicContact CE2-CZ 3.42Å; Y21-F81 VanDerWaalsContact CE2-CZ 3.42Å; Y21-F81 HydrophobicContact CG-CD2 4.26Å; Y21-F81 AromaticContact CG-CE2 3.67Å; Y21-F81 HydrophobicContact CG-CE2 3.67Å; Y21-F81 AromaticContact CG-CZ 3.9Å; Y21-F81 HydrophobicContact CG-CZ 3.9Å; Y21-F81 AromaticContact CZ-CE1 3.24Å; Y21-F81 AromaticContact CZ-CE2 3.69Å; Y21-F81 AromaticContact CZ-CZ 2.88Å; Y21-F81 WeakPolarHBondContact OH-CE1 3.37Å; Y21-F81 WeakPolarHBondContact OH-CZ 3.39Å; M34-F81 HydrophobicContact CE-CE1 3.86Å; M34-F81 HydrophobicContact CE-CZ 3.67Å; M34-F81 HydrophobicContact SD-CZ 3.72Å; M63-F81 HydrophobicContact CG-CB 4.49Å |
| 82 | Y | 38.5 | Very low | 36.4 | Very low | 132 Ų | 132 | 86.8 Ų | 86.8 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.9 | 173.6 | -57.2 | -83.3 | 0 | 0 | 0 | 107.9 | L61 G62 T80 | L61-Y82 PolarHBondContact N-O 2.94Å; G62-Y82 PolarHBondContact O-N 3.27Å; T80-Y82 HydrophobicContact CG2-CE1 4.18Å; T80-Y82 HydrophobicContact CG2-CE2 4.11Å |
| 83 | C | 36.4 | Very low | 36 | Very low | 35 Ų | 35 | 89.8 Ų | 89.8 | 24% | 0.236 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 140.7 | 172.1 | 53.7 | 0 | 0 | 0 | 0 | 109.4 | Q59 | Q59-C83 WeakPolarHBondContact O-CA 3.36Å |
| 84 | D | 37.1 | Very low | 35.6 | Very low | 85 Ų | 85 | 95.6 Ų | 95.6 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 126.9 | 163.1 | -87.3 | -30.2 | 0 | 0 | 0 | 108.1 | Q59 L61 | Q59-D84 PolarHBondContact O-N 2.9Å; L61-D84 HydrophobicContact CD1-CB 4.2Å; L61-D84 VanDerWaalsContact CD1-CG 3.42Å; L61-D84 VanDerWaalsContact CD1-OD1 3.3Å; L61-D84 WeakPolarHBondContact CD1-OD1 3.42Å; L61-D84 WeakPolarHBondContact CD2-OD2 3.29Å; L61-D84 HydrophobicContact CG-CB 4.39Å |
| 85 | V | 38.9 | Very low | 35.1 | Very low | 42 Ų | 42 | 99.6 Ų | 99.6 | 26% | 0.255 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 101.4 | 176.4 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | W17 L55 A87 | W17-V85 HydrophobicContact CH2-CB 3.8Å; W17-V85 HydrophobicContact CH2-CG1 3.65Å; W17-V85 HydrophobicContact CH2-CG2 4.34Å; W17-V85 HydrophobicContact CZ2-CB 3.62Å; W17-V85 HydrophobicContact CZ2-CG1 3.61Å; L55-V85 HydrophobicContact CD1-CG1 4.3Å; L55-V85 HydrophobicContact CD2-CG1 4.14Å; L55-V85 HydrophobicContact CG-CG1 4.19Å; V85-A87 PolarHBondContact O-N 3.31Å |
| 86 | T | 36.8 | Very low | 34.9 | Very low | 101 Ų | 101 | 102.5 Ų | 102.5 | 62% | 0.62 | 55% | 0.551 | S | S | * | * | trans | -86.9 | 104.5 | 170.1 | -50.5 | 0 | 0 | 0 | 0 | 108.5 | L88 | T86-L88 PolarHBondContact O-N 2.85Å; T86-L88 VanDerWaalsContact O-N 3.15Å | ||
| 87 | A | 41.2 | Very low | 34.9 | Very low | 67 Ų | 67 | 107.3 Ų | 107.3 | 55% | 0.554 | 57% | 0.566 | S | S | * | * | trans | -71.5 | 105.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | V85 G89 | V85-A87 PolarHBondContact O-N 3.31Å; A87-G89 PolarHBondContact O-N 2.96Å | ||
| 88 | L | 34.8 | Very low | 34.8 | Very low | 110 Ų | 110 | 110.6 Ų | 110.6 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | trans | -85.9 | 82.8 | 169.8 | -76.1 | 172.5 | 0 | 0 | 0 | 109.2 | I56 T86 | I56-L88 HydrophobicContact CB-CD1 4.1Å; I56-L88 HydrophobicContact CD1-CB 4.14Å; I56-L88 HydrophobicContact CD1-CD1 3.96Å; I56-L88 HydrophobicContact CG2-CD1 4.29Å; T86-L88 PolarHBondContact O-N 2.85Å; T86-L88 VanDerWaalsContact O-N 3.15Å | ||
| 89 | G | 35.4 | Very low | 34.6 | Very low | 57 Ų | 57 | 112 Ų | 112 | 59% | 0.588 | 57% | 0.571 | S | S | * | * | trans | 78.1 | 136.2 | 173 | 0 | 0 | 0 | 0 | 0 | 114.3 | A87 | A87-G89 PolarHBondContact O-N 2.96Š| ||
| 90 | V | 37.4 | Very low | 34.6 | Very low | 89 Ų | 89 | 117.3 Ų | 117.3 | 54% | 0.539 | 59% | 0.589 | S | S | . | * | trans | -89.1 | 116.2 | 170.3 | -168.2 | 0 | 0 | 0 | 0 | 106.7 | R51 E92 | R51-V90 HydrophobicContact CG-CG1 4.19Å; V90-E92 HydrophobicContact CG1-CG 4.19Å; V90-E92 PolarHBondContact O-N 2.99Å | ||
| 91 | H | 31.3 | Very low | 34.3 | Very low | 150 Ų | 150 | 122.3 Ų | 122.3 | 69% | 0.694 | 61% | 0.614 | S | S | * | * | trans | -81.2 | 95.1 | 169.3 | -144.9 | -93.4 | 0 | 0 | 0 | 107.3 | N93 | H91-N93 PolarHBondContact O-N 2.89Å; H91-N93 VanDerWaalsContact O-N 3.09Å | ||
| 92 | E | 33.8 | Very low | 34.3 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 57% | 0.565 | 63% | 0.63 | S | S | * | * | trans | -73 | 98.1 | 175.4 | -68.2 | -172.7 | 159 | 0 | 0 | 109.5 | V90 F94 | V90-E92 HydrophobicContact CG1-CG 4.19Å; V90-E92 PolarHBondContact O-N 2.99Å; E92-F94 VanDerWaalsContact C-N 3.35Å; E92-F94 HydrophobicContact CB-CD2 4.24Å; E92-F94 PolarHBondContact O-N 3.03Å | ||
| 93 | N | 32.3 | Very low | 34.1 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 75% | 0.754 | 65% | 0.65 | S | S | * | * | trans | -79.9 | 91.5 | 157.3 | -90.9 | -33.5 | 0 | 0 | 0 | 107.6 | H91 E95 | H91-N93 PolarHBondContact O-N 2.89Å; H91-N93 VanDerWaalsContact O-N 3.09Å; N93-E95 VanDerWaalsContact C-N 3.29Å; N93-E95 PolarHBondContact O-N 3.06Å | ||
| 94 | F | 31.4 | Very low | 33.8 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 75% | 0.746 | 67% | 0.674 | S | S | * | * | trans | -69.9 | 91.4 | 160.6 | -97.9 | -88.4 | 0 | 0 | 0 | 108.2 | E92 R96 | E92-F94 VanDerWaalsContact C-N 3.35Å; E92-F94 HydrophobicContact CB-CD2 4.24Å; E92-F94 PolarHBondContact O-N 3.03Å; F94-R96 VanDerWaalsContact C-N 3.28Å; F94-R96 PolarHBondContact O-N 2.81Å | ||
| 95 | E | 30.7 | Very low | 33.3 | Very low | 175 Ų | 175 | 133 Ų | 133 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | trans | -65.9 | 99.6 | 151.2 | -79.9 | -164.2 | 162.7 | 0 | 0 | 106.6 | N93 R97 | N93-E95 VanDerWaalsContact C-N 3.29Å; N93-E95 PolarHBondContact O-N 3.06Å; E95-R97 PolarHBondContact O-N 3.09Å | ||
| 96 | R | 30.3 | Very low | 33 | Very low | 225 Ų | 225 | 137.7 Ų | 137.7 | 85% | 0.849 | 72% | 0.718 | S | S | * | * | trans | -56.5 | 96.7 | 155.5 | -90.7 | -172.9 | -179 | 174.2 | 1.3 | 105.8 | F94 Q98 | F94-R96 VanDerWaalsContact C-N 3.28Å; F94-R96 PolarHBondContact O-N 2.81Å; R96-Q98 VanDerWaalsContact C-N 3.32Å; R96-Q98 PolarHBondContact O-N 2.92Å | ||
| 97 | R | 31.7 | Very low | 32.9 | Very low | 222 Ų | 222 | 147.8 Ų | 147.8 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | trans | -52.4 | 112 | 151.5 | -74.2 | -165.2 | 175.6 | -171.9 | 1.4 | 104.4 | E95 | E95-R97 PolarHBondContact O-N 3.09Š| ||
| 98 | Q | 27.8 | Very low | 32.5 | Very low | 165 Ų | 165 | 151.8 Ų | 151.8 | 77% | 0.771 | 76% | 0.755 | S | S | * | * | trans | -44.1 | 140 | 179.8 | -62.9 | -171.8 | -9.7 | 0 | 0 | 108.3 | R96 E100 | R96-Q98 VanDerWaalsContact C-N 3.32Å; R96-Q98 PolarHBondContact O-N 2.92Å; Q98-E100 PolarHBondContact O-N 2.92Å | ||
| 99 | P | 34.9 | Very low | 32.4 | Very low | 105 Ų | 105 | 154 Ų | 154 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | trans | -65.8 | 94 | 166.3 | 29 | -29.7 | 0 | 0 | 0 | 106.1 | L101 | P99-L101 HydrophobicContact CB-CB 4.22Å; P99-L101 PolarHBondContact O-N 2.83Å | ||
| 100 | E | 33 | Very low | 32.2 | Very low | 175 Ų | 175 | 159.4 Ų | 159.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -63.7 | 48.6 | 140.6 | -83.3 | -105.9 | 146 | 0 | 0 | 108.2 | Q98 V102 | Q98-E100 PolarHBondContact O-N 2.92Å; E100-V102 PolarHBondContact O-N 2.83Å; E100-V102 VanDerWaalsContact O-N 3.14Å | ||
| 101 | L | 32.3 | Very low | 31.9 | Very low | 153 Ų | 153 | 163.5 Ų | 163.5 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | trans | -80.1 | 81.5 | 146.9 | -83 | 164.9 | 0 | 0 | 0 | 104.2 | P99 K103 | P99-L101 HydrophobicContact CB-CB 4.22Å; P99-L101 PolarHBondContact O-N 2.83Å; L101-K103 PolarHBondContact O-N 2.89Å | ||
| 102 | V | 34.6 | Very low | 32 | Very low | 91 Ų | 91 | 164.4 Ų | 164.4 | 55% | 0.552 | 79% | 0.793 | S | S | * | * | trans | -1.8 | 117.5 | 143.6 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | E100 L104 | E100-V102 PolarHBondContact O-N 2.83Å; E100-V102 VanDerWaalsContact O-N 3.14Å; V102-L104 HydrophobicContact CB-CD1 4.37Å; V102-L104 HydrophobicContact CG1-CB 3.95Å; V102-L104 HydrophobicContact CG1-CD1 3.62Å; V102-L104 HydrophobicContact CG1-CG 3.79Å; V102-L104 PolarHBondContact O-N 2.87Å | ||
| 103 | K | 33.2 | Very low | 31.9 | Very low | 215 Ų | 215 | 167.3 Ų | 167.3 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | trans | -51.7 | 78.3 | 150.9 | -74.9 | 173.7 | 175.5 | 172.3 | 0 | 108.6 | L101 | L101-K103 PolarHBondContact O-N 2.89Š| ||
| 104 | L | 29.8 | Very low | 31.8 | Very low | 143 Ų | 143 | 169.1 Ų | 169.1 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | trans | -103.6 | 88.1 | 164.9 | -114 | 152.8 | 0 | 0 | 0 | 103.9 | V102 V106 | V102-L104 HydrophobicContact CB-CD1 4.37Å; V102-L104 HydrophobicContact CG1-CB 3.95Å; V102-L104 HydrophobicContact CG1-CD1 3.62Å; V102-L104 HydrophobicContact CG1-CG 3.79Å; V102-L104 PolarHBondContact O-N 2.87Å; L104-V106 PolarHBondContact O-N 3.39Å | ||
| 105 | G | 28 | Very low | 31.9 | Very low | 77 Ų | 77 | 169.1 Ų | 169.1 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -56.5 | 123 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 106 | V | 32.6 | Very low | 32 | Very low | 139 Ų | 139 | 168.6 Ų | 168.6 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | trans | -125.1 | 107.6 | 153.3 | -173.7 | 0 | 0 | 0 | 0 | 105.4 | L104 | L104-V106 PolarHBondContact O-N 3.39Š| ||
| 107 | R | 35 | Very low | 32.1 | Very low | 313 Ų | 313 | 163.5 Ų | 163.5 | 100% | 1.181 | 82% | 0.815 | S | S | * | * | trans | -72.8 | 0 | 161.7 | -87.3 | 178.7 | 162 | 175.9 | -5.4 | 109.3 |
Retrieved 107 of 107 residues in 38.2 ms
(Link to these results)