| 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 | 36.3 | Very low | 39.5 | Very low | 229 Ų | 229 | 162.2 Ų | 162.2 | 100% | 1.128 | 85% | 0.845 | S | S | * | * | 0 | 123.2 | 0 | -81.2 | 167.6 | 170.8 | 0 | 0 | 106.1 | |||||
| 2 | E | 35.9 | Very low | 39.5 | Very low | 192 Ų | 192 | 163.5 Ų | 163.5 | 90% | 0.897 | 84% | 0.844 | S | S | * | * | trans | 60.7 | 139.2 | 172.8 | -74.8 | 147 | 92.6 | 0 | 0 | 116.3 | ||||
| 3 | S | 37.8 | Very low | 40 | Very low | 111 Ų | 111 | 159.8 Ų | 159.8 | 78% | 0.776 | 83% | 0.834 | S | S | * | * | cis | -150.6 | 131.3 | 31.9 | 43.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 4 | E | 39.8 | Very low | 40 | Very low | 183 Ų | 183 | 162.4 Ų | 162.4 | 86% | 0.855 | 84% | 0.835 | S | S | * | * | trans | -81.1 | 124.9 | 173.3 | -155 | 171.9 | 123.1 | 0 | 0 | 108.6 | ||||
| 5 | N | 41.1 | Very low | 40.2 | Very low | 150 Ų | 150 | 160.1 Ų | 160.1 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | trans | -78.3 | 117.6 | 173.7 | -102.5 | -11.6 | 0 | 0 | 0 | 108.8 | ||||
| 6 | M | 43.3 | Very low | 40.4 | Very low | 159 Ų | 159 | 161.4 Ų | 161.4 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | trans | -110.5 | 101.1 | 163.1 | -78.9 | 176.2 | 82.6 | 0 | 0 | 108.3 | S8 | M6-S8 PolarHBondContact O-N 3.06Š| ||
| 7 | D | 37.3 | Very low | 40.3 | Very low | 152 Ų | 152 | 159.8 Ų | 159.8 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | -70.3 | 118.3 | 164 | -76.3 | -62.6 | 0 | 0 | 0 | 108.5 | ||||
| 8 | S | 42.5 | Very low | 40.6 | Very low | 112 Ų | 112 | 161.1 Ų | 161.1 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | -99.3 | 101.1 | 174.4 | -52.6 | 0 | 0 | 0 | 0 | 108 | M6 N10 | M6-S8 PolarHBondContact O-N 3.06Å; S8-N10 PolarHBondContact O-N 2.71Å | ||
| 9 | E | 40.3 | Very low | 40.9 | Very low | 181 Ų | 181 | 160.9 Ų | 160.9 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -69.4 | 109.9 | 170.7 | -73.5 | -171.2 | 125.1 | 0 | 0 | 109.5 | M11 | E9-M11 PolarHBondContact O-N 2.83Š| ||
| 10 | N | 38.2 | Very low | 41.7 | Very low | 148 Ų | 148 | 157.7 Ų | 157.7 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -78.7 | 98.6 | 171.7 | -173.1 | 23.2 | 0 | 0 | 0 | 108.6 | S8 E12 | S8-N10 PolarHBondContact O-N 2.71Å; N10-E12 PolarHBondContact O-N 3.1Å | ||
| 11 | M | 42.4 | Very low | 42.3 | Very low | 167 Ų | 167 | 155.1 Ų | 155.1 | 82% | 0.823 | 80% | 0.801 | S | S | * | * | trans | -76.3 | 104 | 166.6 | -81.9 | -171.9 | 177.8 | 0 | 0 | 108.9 | E9 T13 | E9-M11 PolarHBondContact O-N 2.83Å; M11-T13 PolarHBondContact O-N 3.18Å | ||
| 12 | E | 39 | Very low | 43.4 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -62.2 | 100.8 | 171.8 | -164.6 | 169.6 | 123.1 | 0 | 0 | 109.5 | N10 K14 | N10-E12 PolarHBondContact O-N 3.1Å; E12-K14 PolarHBondContact O-N 3.38Å; E12-K14 VanDerWaalsContact O-N 3.17Å | ||
| 13 | T | 46.5 | Very low | 45.2 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | trans | -70.6 | 107.2 | 170.9 | 39.8 | 0 | 0 | 0 | 0 | 108.7 | M11 N15 | M11-T13 PolarHBondContact O-N 3.18Å; T13-N15 PolarHBondContact O-N 3.17Å | ||
| 14 | K | 39.3 | Very low | 47.1 | Very low | 195 Ų | 195 | 141.6 Ų | 141.6 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | trans | -63.8 | 96.9 | 171.5 | -168.6 | 172 | -176.1 | 170.2 | 0 | 108.6 | E12 M16 | E12-K14 PolarHBondContact O-N 3.38Å; E12-K14 VanDerWaalsContact O-N 3.17Å; K14-M16 PolarHBondContact O-N 3.49Å | ||
| 15 | N | 43 | Very low | 49 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | trans | -57.1 | 110.1 | 166.2 | -65.6 | -56.6 | 0 | 0 | 0 | 107.1 | T13 D17 | T13-N15 PolarHBondContact O-N 3.17Å; N15-D17 VanDerWaalsContact C-N 3.3Å; N15-D17 PolarHBondContact O-N 3.01Å; N15-D17 VanDerWaalsContact O-N 3.1Å | ||
| 16 | M | 44.3 | Very low | 51.2 | Low | 181 Ų | 181 | 132.4 Ų | 132.4 | 89% | 0.892 | 71% | 0.712 | S | S | * | * | trans | -72.5 | 98.3 | 161.9 | -78 | 175 | 85.7 | 0 | 0 | 105.3 | K14 F18 | K14-M16 PolarHBondContact O-N 3.49Å; M16-F18 PolarHBondContact O-N 3.28Å | ||
| 17 | D | 39 | Very low | 53.2 | Low | 135 Ų | 135 | 129.6 Ų | 129.6 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | trans | -50.2 | 112 | 167.7 | -63.2 | -53.9 | 0 | 0 | 0 | 107.7 | N15 E19 | N15-D17 VanDerWaalsContact C-N 3.3Å; N15-D17 PolarHBondContact O-N 3.01Å; N15-D17 VanDerWaalsContact O-N 3.1Å; D17-E19 PolarHBondContact O-N 2.86Å | ||
| 18 | F | 45.9 | Very low | 55.5 | Low | 183 Ų | 183 | 127.1 Ų | 127.1 | 80% | 0.803 | 68% | 0.683 | S | S | * | * | trans | -69.5 | 83.2 | 160.3 | 89.1 | -78 | 0 | 0 | 0 | 104.8 | M16 S20 | M16-F18 PolarHBondContact O-N 3.28Å; F18-S20 PolarHBondContact O-N 3.06Å | ||
| 19 | E | 46.2 | Very low | 57.5 | Low | 157 Ų | 157 | 124.6 Ų | 124.6 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | trans | -72.9 | 85.5 | 173.3 | -124.3 | 178.6 | 176.6 | 0 | 0 | 106.8 | D17 V21 | D17-E19 PolarHBondContact O-N 2.86Å; E19-V21 HydrophobicContact CB-CG2 4.3Å; E19-V21 HydrophobicContact CG-CG1 4.24Å; E19-V21 PolarHBondContact O-N 3.38Å | ||
| 20 | S | 56.2 | Low | 59.5 | Low | 97 Ų | 97 | 120.8 Ų | 120.8 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | trans | -61.6 | 77.4 | 158.7 | -174.8 | 0 | 0 | 0 | 0 | 108 | F18 | F18-S20 PolarHBondContact O-N 3.06Š| ||
| 21 | V | 53.9 | Low | 61.8 | Low | 103 Ų | 103 | 117.2 Ų | 117.2 | 62% | 0.624 | 64% | 0.64 | S | S | * | * | trans | -116.6 | 66.6 | 165.9 | -68.9 | 0 | 0 | 0 | 0 | 107.6 | E19 S23 | E19-V21 HydrophobicContact CB-CG2 4.3Å; E19-V21 HydrophobicContact CG-CG1 4.24Å; E19-V21 PolarHBondContact O-N 3.38Å; V21-S23 PolarHBondContact O-N 3.33Å | ||
| 22 | S | 58.9 | Low | 63.9 | Low | 78 Ų | 78 | 115.5 Ų | 115.5 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | trans | -58.9 | 93.3 | 148.7 | -174.3 | 0 | 0 | 0 | 0 | 105.9 | V24 | S22-V24 PolarHBondContact O-N 2.85Š| ||
| 23 | S | 74.9 | Confident | 66.1 | Low | 52 Ų | 52 | 114 Ų | 114 | 36% | 0.364 | 63% | 0.625 | S | S | . | * | trans | -56.1 | 130.1 | -178.1 | 63.2 | 0 | 0 | 0 | 0 | 108 | V21 T25 A26 L27 | V21-S23 PolarHBondContact O-N 3.33Å; S23-T25 VanDerWaalsContact CB-OG1 3.32Å; S23-T25 WeakPolarHBondContact CB-OG1 3.33Å; S23-T25 PolarHBondContact O-N 2.89Å; S23-T25 PolarHBondContact OG-OG1 3.27Å; S23-T25 VanDerWaalsContact OG-OG1 3.08Å; S23-A26 WeakPolarHBondContact O-CA 3.46Å; S23-A26 WeakPolarHBondContact O-CB 3.47Å; S23-A26 PolarHBondContact O-N 3.21Å; S23-A26 VanDerWaalsContact OG-CB 3.3Å; S23-A26 WeakPolarHBondContact OG-CB 3.23Å; S23-A26 PolarHBondContact OG-N 2.84Å; S23-L27 PolarHBondContact O-N 3.47Å | ||
| 24 | V | 77.1 | Confident | 68.1 | Low | 119 Ų | 119 | 115.2 Ų | 115.2 | 72% | 0.721 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -54.1 | -29.6 | 179.6 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | S22 L27 E28 | S22-V24 PolarHBondContact O-N 2.85Å; V24-L27 PolarHBondContact O-N 2.84Å; V24-E28 WeakPolarHBondContact O-CB 3.49Å; V24-E28 PolarHBondContact O-N 3.43Å |
| 25 | T | 80.4 | Confident | 69.9 | Low | 97 Ų | 97 | 112.1 Ų | 112.1 | 60% | 0.595 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.3 | -37.3 | 171.9 | 46.9 | 0 | 0 | 0 | 0 | 114.2 | S23 E28 A29 | S23-T25 VanDerWaalsContact CB-OG1 3.32Å; S23-T25 WeakPolarHBondContact CB-OG1 3.33Å; S23-T25 PolarHBondContact O-N 2.89Å; S23-T25 PolarHBondContact OG-OG1 3.27Å; S23-T25 VanDerWaalsContact OG-OG1 3.08Å; T25-E28 PolarHBondContact O-N 2.86Å; T25-A29 WeakPolarHBondContact O-CB 3.26Å; T25-A29 PolarHBondContact O-N 3.18Å |
| 26 | A | 86.8 | Confident | 71.5 | Confident | 43 Ų | 43 | 110.5 Ų | 110.5 | 36% | 0.355 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70 | -39.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S23 A29 L30 | S23-A26 WeakPolarHBondContact O-CA 3.46Å; S23-A26 WeakPolarHBondContact O-CB 3.47Å; S23-A26 PolarHBondContact O-N 3.21Å; S23-A26 VanDerWaalsContact OG-CB 3.3Å; S23-A26 WeakPolarHBondContact OG-CB 3.23Å; S23-A26 PolarHBondContact OG-N 2.84Å; A26-A29 PolarHBondContact O-N 3.42Å; A26-L30 WeakPolarHBondContact O-CG 3.23Å; A26-L30 PolarHBondContact O-N 3.2Å; A26-L30 VanDerWaalsContact O-N 3.08Å |
| 27 | L | 85.9 | Confident | 72.4 | Confident | 100 Ų | 100 | 110.8 Ų | 110.8 | 52% | 0.524 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.2 | -38 | 173.7 | -72.5 | 173.5 | 0 | 0 | 0 | 112 | S23 V24 L30 S31 | S23-L27 PolarHBondContact O-N 3.47Å; V24-L27 PolarHBondContact O-N 2.84Å; L27-L30 PolarHBondContact O-N 3.15Å; L27-S31 WeakPolarHBondContact O-CB 3.46Å; L27-S31 PolarHBondContact O-N 3.49Å |
| 28 | E | 84.2 | Confident | 73.5 | Confident | 100 Ų | 100 | 113.4 Ų | 113.4 | 47% | 0.467 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.1 | -39.6 | 175.4 | -164.1 | -171.6 | 156.4 | 0 | 0 | 112.2 | V24 T25 S31 K32 | V24-E28 WeakPolarHBondContact O-CB 3.49Å; V24-E28 PolarHBondContact O-N 3.43Å; T25-E28 PolarHBondContact O-N 2.86Å; E28-S31 WeakPolarHBondContact O-CB 3.38Å; E28-S31 PolarHBondContact O-N 3.3Å; E28-K32 WeakPolarHBondContact O-CG 3.42Å; E28-K32 PolarHBondContact O-N 3.25Å; E28-K32 VanDerWaalsContact O-N 3.11Å; E28-K32 WeakPolarHBondContact OE1-CE 3.4Å; E28-K32 IonicContact OE1-NZ 2.83Å; E28-K32 PolarHBondContact OE1-NZ 3.35Å |
| 29 | A | 85.5 | Confident | 73.9 | Confident | 59 Ų | 59 | 113 Ų | 113 | 49% | 0.488 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -62.9 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | T25 A26 K32 L33 | T25-A29 WeakPolarHBondContact O-CB 3.26Å; T25-A29 PolarHBondContact O-N 3.18Å; A26-A29 PolarHBondContact O-N 3.42Å; A29-K32 PolarHBondContact O-N 3.2Å; A29-L33 PolarHBondContact O-N 2.99Å |
| 30 | L | 82.5 | Confident | 74 | Confident | 100 Ų | 100 | 112.2 Ų | 112.2 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.4 | -39.8 | 175 | -74 | 169.9 | 0 | 0 | 0 | 112.2 | A26 L27 K32 L33 L34 | A26-L30 WeakPolarHBondContact O-CG 3.23Å; A26-L30 PolarHBondContact O-N 3.2Å; A26-L30 VanDerWaalsContact O-N 3.08Å; L27-L30 PolarHBondContact O-N 3.15Å; L30-K32 VanDerWaalsContact C-N 3.28Å; L30-K32 PolarHBondContact O-N 2.89Å; L30-L33 PolarHBondContact O-N 2.98Å; L30-L33 VanDerWaalsContact O-N 3.15Å; L30-L34 WeakPolarHBondContact O-CG 3.42Å; L30-L34 PolarHBondContact O-N 2.85Å |
| 31 | S | 86.1 | Confident | 73.5 | Confident | 73 Ų | 73 | 115 Ų | 115 | 51% | 0.51 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -57.2 | -41.5 | 174.8 | 176.1 | 0 | 0 | 0 | 0 | 112.1 | L27 E28 L33 N35 | L27-S31 WeakPolarHBondContact O-CB 3.46Å; L27-S31 PolarHBondContact O-N 3.49Å; E28-S31 WeakPolarHBondContact O-CB 3.38Å; E28-S31 PolarHBondContact O-N 3.3Å; S31-L33 VanDerWaalsContact C-N 3.33Å; S31-N35 WeakPolarHBondContact O-CB 3.49Å; S31-N35 PolarHBondContact O-N 3.19Å; S31-N35 VanDerWaalsContact O-N 3.11Å |
| 32 | K | 86.5 | Confident | 73.2 | Confident | 132 Ų | 132 | 114.8 Ų | 114.8 | 57% | 0.574 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.9 | -27.3 | 178.6 | -70.7 | 173.7 | -175.6 | 165.8 | 0 | 112.9 | E28 A29 L30 N35 | E28-K32 WeakPolarHBondContact O-CG 3.42Å; E28-K32 PolarHBondContact O-N 3.25Å; E28-K32 VanDerWaalsContact O-N 3.11Å; E28-K32 WeakPolarHBondContact OE1-CE 3.4Å; E28-K32 IonicContact OE1-NZ 2.83Å; E28-K32 PolarHBondContact OE1-NZ 3.35Å; A29-K32 PolarHBondContact O-N 3.2Å; L30-K32 VanDerWaalsContact C-N 3.28Å; L30-K32 PolarHBondContact O-N 2.89Å; K32-N35 CarbonylContact O-C 3.54Å |
| 33 | L | 85.2 | Confident | 72.2 | Confident | 146 Ų | 146 | 118 Ų | 118 | 76% | 0.764 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.2 | -39.1 | 177.5 | -150.2 | 103 | 0 | 0 | 0 | 112.3 | A29 L30 S31 | A29-L33 PolarHBondContact O-N 2.99Å; L30-L33 PolarHBondContact O-N 2.98Å; L30-L33 VanDerWaalsContact O-N 3.15Å; S31-L33 VanDerWaalsContact C-N 3.33Å |
| 34 | L | 88.2 | Confident | 70.7 | Confident | 142 Ų | 142 | 127 Ų | 127 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -77.8 | -26.9 | -179.8 | -71.6 | 168.9 | 0 | 0 | 0 | 112.6 | L30 P36 | L30-L34 WeakPolarHBondContact O-CG 3.42Å; L30-L34 PolarHBondContact O-N 2.85Å; L34-P36 VanDerWaalsContact C-CD 3.49Å; L34-P36 WeakPolarHBondContact O-CD 3.38Å |
| 35 | N | 76.9 | Confident | 68.8 | Low | 129 Ų | 129 | 124.4 Ų | 124.4 | 69% | 0.69 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -122.6 | 74.9 | 177.4 | -120.3 | 40.4 | 0 | 0 | 0 | 108.8 | S31 K32 E37 | S31-N35 WeakPolarHBondContact O-CB 3.49Å; S31-N35 PolarHBondContact O-N 3.19Å; S31-N35 VanDerWaalsContact O-N 3.11Å; K32-N35 CarbonylContact O-C 3.54Å; N35-E37 PolarHBondContact O-N 2.96Å |
| 36 | P | 76.3 | Confident | 67.1 | Low | 95 Ų | 95 | 128.5 Ų | 128.5 | 62% | 0.617 | 68% | 0.684 | S | S | * | * | trans | -58.4 | 127 | 170 | 25.6 | -31.9 | 0 | 0 | 0 | 107.9 | L34 E38 | L34-P36 VanDerWaalsContact C-CD 3.49Å; L34-P36 WeakPolarHBondContact O-CD 3.38Å; P36-E38 PolarHBondContact O-N 2.95Å; P36-E38 VanDerWaalsContact O-N 3.08Å | ||
| 37 | E | 64.9 | Low | 65 | Low | 187 Ų | 187 | 131.8 Ų | 131.8 | 87% | 0.874 | 70% | 0.699 | S | S | * | * | trans | -59.3 | 116.9 | 169.6 | -69.2 | -178.6 | 170.9 | 0 | 0 | 106.6 | N35 E39 | N35-E37 PolarHBondContact O-N 2.96Å; E37-E39 PolarHBondContact O-N 2.66Å | ||
| 38 | E | 61.1 | Low | 62.8 | Low | 189 Ų | 189 | 134.3 Ų | 134.3 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | trans | -60.6 | 103 | 172.3 | -65.7 | -176 | 173 | 0 | 0 | 106.8 | P36 D40 | P36-E38 PolarHBondContact O-N 2.95Å; P36-E38 VanDerWaalsContact O-N 3.08Å; E38-D40 PolarHBondContact O-N 2.8Å | ||
| 39 | E | 55.1 | Low | 60.5 | Low | 174 Ų | 174 | 133.3 Ų | 133.3 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | trans | -59.8 | 111.8 | 160.1 | -68.6 | -166.5 | 168.6 | 0 | 0 | 105.8 | E37 D41 | E37-E39 PolarHBondContact O-N 2.66Å; E39-D41 PolarHBondContact O-N 2.82Å | ||
| 40 | D | 48.2 | Very low | 58.3 | Low | 142 Ų | 142 | 138.4 Ų | 138.4 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | -67.2 | 66.7 | -179.7 | -161 | 6.6 | 0 | 0 | 0 | 109.7 | E38 S42 | E38-D40 PolarHBondContact O-N 2.8Å; D40-S42 PolarHBondContact O-N 2.68Å | ||
| 41 | D | 45.7 | Very low | 56.3 | Low | 154 Ų | 154 | 138.6 Ų | 138.6 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -79.9 | 73.7 | 168 | -94.9 | -10.3 | 0 | 0 | 0 | 108.4 | E39 D43 | E39-D41 PolarHBondContact O-N 2.82Å; D41-D43 PolarHBondContact O-N 2.88Å; D41-D43 VanDerWaalsContact O-N 3.11Å | ||
| 42 | S | 46.5 | Very low | 54.3 | Low | 100 Ų | 100 | 141.6 Ų | 141.6 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | -71.9 | 88.8 | 163.4 | 49.9 | 0 | 0 | 0 | 0 | 110.1 | D40 | D40-S42 PolarHBondContact O-N 2.68Š| ||
| 43 | D | 37.5 | Very low | 52.7 | Low | 145 Ų | 145 | 143.3 Ų | 143.3 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | -141.8 | 97 | 153.3 | -155.5 | 3.4 | 0 | 0 | 0 | 112.5 | D41 G45 | D41-D43 PolarHBondContact O-N 2.88Å; D41-D43 VanDerWaalsContact O-N 3.11Å; D43-G45 PolarHBondContact O-N 2.85Å | ||
| 44 | Y | 44.3 | Very low | 50.9 | Low | 240 Ų | 240 | 139.7 Ų | 139.7 | 94% | 0.941 | 79% | 0.785 | S | S | * | * | trans | -72.1 | 97.1 | 162.6 | -91.2 | -98.6 | 0 | 0 | 0 | 108.8 | ||||
| 45 | G | 38 | Very low | 49.3 | Very low | 65 Ų | 65 | 138 Ų | 138 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | trans | -142.4 | 80.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D43 | D43-G45 PolarHBondContact O-N 2.85Š| ||
| 46 | Q | 43.7 | Very low | 48.5 | Very low | 184 Ų | 184 | 140.3 Ų | 140.3 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -67.9 | 144.3 | 166.6 | -159.6 | 172.6 | -11.8 | 0 | 0 | 110.2 | ||||
| 47 | T | 42 | Very low | 48 | Very low | 112 Ų | 112 | 138 Ų | 138 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | trans | 84 | 112.5 | 167.7 | 77.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 48 | N | 40.3 | Very low | 47.7 | Very low | 152 Ų | 152 | 136 Ų | 136 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | -173.1 | 111.6 | 111.2 | -83.6 | -23.9 | 0 | 0 | 0 | 110.7 | L50 | N48-L50 PolarHBondContact O-N 2.81Š| |||
| 49 | G | 35.6 | Very low | 47.6 | Very low | 80 Ų | 80 | 130.8 Ų | 130.8 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -65.3 | 117 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | S51 | G49-S51 VanDerWaalsContact C-N 3.3Å; G49-S51 PolarHBondContact O-N 3.49Å | ||
| 50 | L | 40 | Very low | 47.9 | Very low | 166 Ų | 166 | 128.3 Ų | 128.3 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -85.5 | 76.5 | 163.2 | -103.7 | 145.4 | 0 | 0 | 0 | 108.1 | N48 | N48-L50 PolarHBondContact O-N 2.81Š| ||
| 51 | S | 41 | Very low | 48.5 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -92 | 99.7 | 163.4 | -66.5 | 0 | 0 | 0 | 0 | 108.5 | G49 I53 | G49-S51 VanDerWaalsContact C-N 3.3Å; G49-S51 PolarHBondContact O-N 3.49Å; S51-I53 PolarHBondContact O-N 3.46Å | ||
| 52 | T | 44.1 | Very low | 49 | Very low | 135 Ų | 135 | 124.9 Ų | 124.9 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | trans | -62 | 101.2 | 165 | 34.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 53 | I | 51.3 | Low | 50 | Low | 168 Ų | 168 | 126 Ų | 126 | 86% | 0.862 | 78% | 0.784 | S | S | * | * | trans | -81.3 | 124.8 | 165.4 | -72.6 | 165.3 | 0 | 0 | 0 | 107.9 | S51 | S51-I53 PolarHBondContact O-N 3.46Š| ||
| 54 | G | 47.4 | Very low | 51.1 | Low | 71 Ų | 71 | 124.6 Ų | 124.6 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 173 | 85.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 55 | A | 55.7 | Low | 51.7 | Low | 105 Ų | 105 | 121.8 Ų | 121.8 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | trans | 70.4 | 83.5 | 150.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 56 | M | 60.3 | Low | 52.3 | Low | 178 Ų | 178 | 125.2 Ų | 125.2 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -108.5 | 117.2 | 154.3 | -72.9 | -177.1 | 165.1 | 0 | 0 | 109.2 | ||||
| 57 | G | 65.9 | Low | 53 | Low | 47 Ų | 47 | 125.3 Ų | 125.3 | 49% | 0.485 | 78% | 0.78 | S | S | . | * | trans | -84.1 | 161 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G59 N60 | G57-G59 PolarHBondContact O-N 3.12Å; G57-N60 PolarHBondContact O-N 3.18Å | ||
| 58 | P | 57.4 | Low | 53.2 | Low | 144 Ų | 144 | 128.2 Ų | 128.2 | 94% | 0.935 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 1.5 | -174.6 | 26 | -34 | 0 | 0 | 0 | 115.3 | ||
| 59 | G | 59.5 | Low | 53.4 | Low | 80 Ų | 80 | 128.7 Ų | 128.7 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 10.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G57 | G57-G59 PolarHBondContact O-N 3.12Š|
| 60 | N | 61.3 | Low | 54.1 | Low | 123 Ų | 123 | 133.6 Ų | 133.6 | 66% | 0.658 | 79% | 0.786 | S | S | * | * | trans | -110 | 21.3 | -174.6 | -138.8 | 93.3 | 0 | 0 | 0 | 114.5 | G57 G62 | G57-N60 PolarHBondContact O-N 3.18Å; N60-G62 PolarHBondContact O-N 3.11Å | ||
| 61 | I | 60.8 | Low | 54 | Low | 170 Ų | 170 | 131.4 Ų | 131.4 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -90.6 | 99.9 | 171.5 | -59.4 | -166 | 0 | 0 | 0 | 108.5 | ||||
| 62 | G | 55.2 | Low | 54.4 | Low | 54 Ų | 54 | 131.7 Ų | 131.7 | 56% | 0.557 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 162.5 | 127.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N60 | N60-G62 PolarHBondContact O-N 3.11Š|
| 63 | P | 68.5 | Low | 54.4 | Low | 122 Ų | 122 | 130.5 Ų | 130.5 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | trans | -58.2 | 144.3 | 164.3 | -17.7 | 29.7 | 0 | 0 | 0 | 110.2 | Q65 | P63-Q65 PolarHBondContact O-N 2.84Š| ||
| 64 | P | 60.3 | Low | 54 | Low | 117 Ų | 117 | 130.8 Ų | 130.8 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | -57.7 | 130.7 | 171.1 | 24.3 | -31.3 | 0 | 0 | 0 | 109.3 | I66 | P64-I66 PolarHBondContact O-N 3.37Š| ||
| 65 | Q | 58.2 | Low | 53.9 | Low | 181 Ų | 181 | 133 Ų | 133 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -56.4 | 105.4 | 176.5 | -73.5 | 177.5 | 2.5 | 0 | 0 | 109.8 | P63 | P63-Q65 PolarHBondContact O-N 2.84Š| ||
| 66 | I | 50.1 | Low | 53.8 | Low | 136 Ų | 136 | 132.7 Ų | 132.7 | 70% | 0.697 | 76% | 0.755 | S | S | * | * | trans | -104.9 | 107.9 | 152.1 | -61.4 | 172.6 | 0 | 0 | 0 | 103.5 | P64 E68 | P64-I66 PolarHBondContact O-N 3.37Å; I66-E68 PolarHBondContact O-N 3.27Å | ||
| 67 | E | 57.9 | Low | 53.7 | Low | 187 Ų | 187 | 132.4 Ų | 132.4 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | -66.2 | 86.2 | 168.2 | -70.4 | -176.5 | 163.5 | 0 | 0 | 107.8 | ||||
| 68 | E | 46.2 | Very low | 53.3 | Low | 173 Ų | 173 | 138.3 Ų | 138.3 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | -101.4 | 120.7 | 159.1 | -123.9 | 178.2 | 121 | 0 | 0 | 107.6 | I66 K70 | I66-E68 PolarHBondContact O-N 3.27Å; E68-K70 PolarHBondContact O-N 2.99Å | ||
| 69 | L | 45 | Very low | 53.4 | Low | 162 Ų | 162 | 139.5 Ų | 139.5 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | -54.1 | 133.9 | -174.8 | -73.1 | 160.1 | 0 | 0 | 0 | 110.6 | V71 | L69-V71 PolarHBondContact O-N 2.54Š| ||
| 70 | K | 49.5 | Very low | 53.5 | Low | 182 Ų | 182 | 140.6 Ų | 140.6 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -47.3 | 95.7 | 164.3 | -171.8 | -179.7 | -170.4 | -173 | 0 | 110.2 | E68 I72 | E68-K70 PolarHBondContact O-N 2.99Å; K70-I72 HydrophobicContact CG-CG1 4.19Å | ||
| 71 | V | 39.2 | Very low | 54 | Low | 121 Ų | 121 | 142.6 Ų | 142.6 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -100 | 89.7 | 157.3 | -175.4 | 0 | 0 | 0 | 0 | 105.3 | L69 | L69-V71 PolarHBondContact O-N 2.54Š| ||
| 72 | I | 49 | Very low | 54.6 | Low | 109 Ų | 109 | 139.7 Ų | 139.7 | 56% | 0.559 | 75% | 0.749 | S | S | * | * | trans | -48.5 | 129 | 146.3 | -60.2 | 156.7 | 0 | 0 | 0 | 103.8 | K70 E74 | K70-I72 HydrophobicContact CG-CG1 4.19Å; I72-E74 PolarHBondContact O-N 2.76Å | ||
| 73 | P | 42.6 | Very low | 55.7 | Low | 110 Ų | 110 | 144 Ų | 144 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | trans | -60.4 | 101.5 | 168.3 | 25.8 | -28.4 | 0 | 0 | 0 | 104.8 | T75 | P73-T75 VanDerWaalsContact C-N 3.34Å; P73-T75 PolarHBondContact O-N 2.81Å | ||
| 74 | E | 43.2 | Very low | 56.1 | Low | 175 Ų | 175 | 145.9 Ų | 145.9 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -53.6 | 112.7 | 163.1 | -70.3 | -176.1 | 163.8 | 0 | 0 | 103.3 | I72 S76 | I72-E74 PolarHBondContact O-N 2.76Å; E74-S76 VanDerWaalsContact C-N 3.26Å; E74-S76 PolarHBondContact O-N 2.86Å | ||
| 75 | T | 46.5 | Very low | 56.8 | Low | 116 Ų | 116 | 145.4 Ų | 145.4 | 71% | 0.712 | 74% | 0.74 | S | S | * | * | trans | -47.7 | 106.3 | 158.6 | 46.6 | 0 | 0 | 0 | 0 | 104.4 | P73 E77 | P73-T75 VanDerWaalsContact C-N 3.34Å; P73-T75 PolarHBondContact O-N 2.81Å; T75-E77 PolarHBondContact O-N 2.77Å | ||
| 76 | S | 53.4 | Low | 57.3 | Low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | trans | -57.6 | 102 | 167.3 | 45.6 | 0 | 0 | 0 | 0 | 104.6 | E74 E78 | E74-S76 VanDerWaalsContact C-N 3.26Å; E74-S76 PolarHBondContact O-N 2.86Å; S76-E78 PolarHBondContact O-N 3.26Å | ||
| 77 | E | 57.1 | Low | 58.1 | Low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | -63.1 | 77.8 | 164.4 | -67.5 | -177.2 | 171.2 | 0 | 0 | 105.8 | T75 N79 | T75-E77 PolarHBondContact O-N 2.77Å; E77-N79 PolarHBondContact O-N 2.76Å | ||
| 78 | E | 58.9 | Low | 58.5 | Low | 171 Ų | 171 | 140.3 Ų | 140.3 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | trans | -58.9 | 118 | 151.5 | -92.4 | -174.1 | 125.2 | 0 | 0 | 105 | S76 N80 | S76-E78 PolarHBondContact O-N 3.26Å; E78-N80 PolarHBondContact O-N 2.84Å | ||
| 79 | N | 59.6 | Low | 59.4 | Low | 169 Ų | 169 | 136 Ų | 136 | 90% | 0.904 | 71% | 0.711 | S | S | * | * | trans | -61 | 79.3 | 168.8 | -84.6 | -84.1 | 0 | 0 | 0 | 108.3 | E77 | E77-N79 PolarHBondContact O-N 2.76Š| ||
| 80 | N | 61.7 | Low | 60.2 | Low | 103 Ų | 103 | 132.5 Ų | 132.5 | 55% | 0.551 | 70% | 0.698 | S | S | * | * | trans | -109.8 | 127.6 | 158.2 | -169.9 | -16.6 | 0 | 0 | 0 | 105.4 | E78 D82 | E78-N80 PolarHBondContact O-N 2.84Å; N80-D82 HydrophobicContact CB-CB 4.39Å; N80-D82 PolarHBondContact ND2-OD2 2.84Å; N80-D82 PolarHBondContact O-N 3.33Å; N80-D82 PolarHBondContact OD1-N 2.72Å; N80-D82 PolarHBondContact OD1-OD2 2.93Å | ||
| 81 | D | 72.2 | Confident | 60.7 | Low | 165 Ų | 165 | 133.4 Ų | 133.4 | 88% | 0.882 | 71% | 0.705 | S | S | * | * | trans | -65.8 | 8.8 | 174.4 | -66 | -49.8 | 0 | 0 | 0 | 112.2 | I83 | D81-I83 PolarHBondContact O-N 2.83Š| ||
| 82 | D | 73.3 | Confident | 61.6 | Low | 108 Ų | 108 | 130.6 Ų | 130.6 | 58% | 0.578 | 70% | 0.701 | S | S | * | * | trans | -69.2 | 117.7 | 171.1 | -90.9 | -41 | 0 | 0 | 0 | 111.2 | N80 W84 | N80-D82 HydrophobicContact CB-CB 4.39Å; N80-D82 PolarHBondContact ND2-OD2 2.84Å; N80-D82 PolarHBondContact O-N 3.33Å; N80-D82 PolarHBondContact OD1-N 2.72Å; N80-D82 PolarHBondContact OD1-OD2 2.93Å; D82-W84 PolarHBondContact O-N 2.76Å | ||
| 83 | I | 77.5 | Confident | 61.8 | Low | 145 Ų | 145 | 127.8 Ų | 127.8 | 74% | 0.744 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -66.3 | -16.5 | 176.7 | -63.6 | 174.4 | 0 | 0 | 0 | 111.5 | D81 | D81-I83 PolarHBondContact O-N 2.83Š|
| 84 | W | 76.3 | Confident | 62.5 | Low | 161 Ų | 161 | 130.1 Ų | 130.1 | 61% | 0.61 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -129.6 | 130.7 | -175.2 | -57.5 | 105.6 | 0 | 0 | 0 | 111.2 | D82 E88 V89 | D82-W84 PolarHBondContact O-N 2.76Å; W84-E88 HydrophobicContact CE3-CG 4.42Å; W84-V89 HydrophobicContact CB-CG2 4.39Å |
| 85 | N | 74.8 | Confident | 63.1 | Low | 107 Ų | 107 | 125.5 Ų | 125.5 | 57% | 0.572 | 67% | 0.673 | S | S | * | * | trans | -82.7 | 146.7 | 169.5 | -67.6 | -76 | 0 | 0 | 0 | 110.2 | E87 E88 | N85-E87 PolarHBondContact O-N 2.79Å; N85-E88 HydrophobicContact CB-CB 4.27Å; N85-E88 WeakPolarHBondContact O-CB 3.17Å; N85-E88 PolarHBondContact O-N 2.79Å | ||
| 86 | S | 69.1 | Low | 63.6 | Low | 109 Ų | 109 | 125.8 Ų | 125.8 | 76% | 0.762 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -32.1 | 179.7 | -54.5 | 0 | 0 | 0 | 0 | 112.8 | E88 | S86-E88 VanDerWaalsContact C-N 3.35Š|
| 87 | E | 68 | Low | 64.1 | Low | 179 Ų | 179 | 125.1 Ų | 125.1 | 84% | 0.836 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -15 | 171.7 | -79.6 | 74.8 | -164.7 | 0 | 0 | 115.2 | N85 | N85-E87 PolarHBondContact O-N 2.79Š|
| 88 | E | 66.5 | Low | 64.2 | Low | 110 Ų | 110 | 124.7 Ų | 124.7 | 51% | 0.514 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.5 | -17.9 | -179.1 | -170.1 | 173.5 | -178.8 | 0 | 0 | 112.6 | W84 N85 S86 P90 | W84-E88 HydrophobicContact CE3-CG 4.42Å; N85-E88 HydrophobicContact CB-CB 4.27Å; N85-E88 WeakPolarHBondContact O-CB 3.17Å; N85-E88 PolarHBondContact O-N 2.79Å; S86-E88 VanDerWaalsContact C-N 3.35Å; E88-P90 WeakPolarHBondContact O-CD 3.39Å |
| 89 | V | 64.4 | Low | 64.3 | Low | 81 Ų | 81 | 127.9 Ų | 127.9 | 49% | 0.491 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -89.6 | 111.1 | 173.3 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | W84 E91 | W84-V89 HydrophobicContact CB-CG2 4.39Å; V89-E91 PolarHBondContact O-N 3.29Å; V89-E91 VanDerWaalsContact O-N 3.1Å |
| 90 | P | 61.4 | Low | 64.8 | Low | 90 Ų | 90 | 122 Ų | 122 | 58% | 0.584 | 63% | 0.632 | S | S | * | * | trans | -61.6 | 118.6 | 176.4 | -17.2 | 30.2 | 0 | 0 | 0 | 109.6 | E88 G92 A93 | E88-P90 WeakPolarHBondContact O-CD 3.39Å; P90-G92 PolarHBondContact O-N 2.92Å; P90-G92 VanDerWaalsContact O-N 3.13Å; P90-A93 HydrophobicContact CB-CB 4.17Å; P90-A93 HydrophobicContact CG-CB 4.47Å; P90-A93 PolarHBondContact O-N 3.48Å; P90-A93 VanDerWaalsContact O-N 3.15Å | ||
| 91 | E | 60.9 | Low | 65.4 | Low | 201 Ų | 201 | 124 Ų | 124 | 94% | 0.939 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | 118.5 | 171.5 | -72.3 | -175.7 | 167.8 | 0 | 0 | 109 | V89 | V89-E91 PolarHBondContact O-N 3.29Å; V89-E91 VanDerWaalsContact O-N 3.1Å |
| 92 | G | 56.2 | Low | 65.9 | Low | 62 Ų | 62 | 119.7 Ų | 119.7 | 64% | 0.639 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.5 | -2.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | P90 E94 | P90-G92 PolarHBondContact O-N 2.92Å; P90-G92 VanDerWaalsContact O-N 3.13Å; G92-E94 VanDerWaalsContact C-N 3.26Å; G92-E94 PolarHBondContact O-N 2.93Å |
| 93 | A | 54.2 | Low | 66.4 | Low | 50 Ų | 50 | 121.3 Ų | 121.3 | 41% | 0.413 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -82.2 | 0.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P90 H95 D96 | P90-A93 HydrophobicContact CB-CB 4.17Å; P90-A93 HydrophobicContact CG-CB 4.47Å; P90-A93 PolarHBondContact O-N 3.48Å; P90-A93 VanDerWaalsContact O-N 3.15Å; A93-H95 PolarHBondContact O-N 3.32Å; A93-D96 PolarHBondContact O-N 3.01Å |
| 94 | E | 57.8 | Low | 66.8 | Low | 158 Ų | 158 | 120.4 Ų | 120.4 | 74% | 0.738 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -62 | -14.4 | -178.6 | 55.5 | 173.8 | 178.9 | 0 | 0 | 114.6 | G92 | G92-E94 VanDerWaalsContact C-N 3.26Å; G92-E94 PolarHBondContact O-N 2.93Å |
| 95 | H | 56.2 | Low | 67.5 | Low | 79 Ų | 79 | 112.9 Ų | 112.9 | 37% | 0.366 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -120.9 | -9.9 | -175.9 | -59.9 | -30.7 | 0 | 0 | 0 | 113.7 | A93 D97 L170 | A93-H95 PolarHBondContact O-N 3.32Å; H95-D97 PolarHBondContact O-N 2.76Å; H95-L170 HydrophobicContact CB-CD2 3.79Å |
| 96 | D | 56.9 | Low | 68.4 | Low | 122 Ų | 122 | 113.7 Ų | 113.7 | 65% | 0.652 | 59% | 0.591 | S | S | * | * | trans | -90.8 | 89.1 | 178.3 | -145.9 | -46.6 | 0 | 0 | 0 | 108.7 | A93 M98 | A93-D96 PolarHBondContact O-N 3.01Å; D96-M98 PolarHBondContact O-N 3.05Å | ||
| 97 | D | 62.2 | Low | 69.5 | Low | 86 Ų | 86 | 113.8 Ų | 113.8 | 46% | 0.46 | 58% | 0.575 | S | S | . | * | trans | -73.1 | 76.1 | 173.5 | -93.6 | -35.3 | 0 | 0 | 0 | 109.4 | H95 W99 D100 K168 | H95-D97 PolarHBondContact O-N 2.76Å; D97-W99 PolarHBondContact O-N 3.15Å; D97-D100 HydrophobicContact CB-CB 3.76Å; D97-D100 PolarHBondContact O-N 3.49Å; D97-K168 IonicContact OD2-NZ 3.15Å; D97-K168 PolarHBondContact OD2-NZ 3.13Å | ||
| 98 | M | 60.4 | Low | 70.8 | Confident | 163 Ų | 163 | 110.7 Ų | 110.7 | 80% | 0.803 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -13.8 | 173.1 | -73.3 | -171.1 | 67.4 | 0 | 0 | 113.4 | D96 | D96-M98 PolarHBondContact O-N 3.05Š|
| 99 | W | 60.8 | Low | 72.1 | Confident | 238 Ų | 238 | 108 Ų | 108 | 90% | 0.902 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -4.9 | -178.6 | -53.9 | 97.3 | 0 | 0 | 0 | 113.9 | D97 | D97-W99 PolarHBondContact O-N 3.15Š|
| 100 | D | 69.5 | Low | 73.5 | Confident | 45 Ų | 45 | 106.5 Ų | 106.5 | 24% | 0.241 | 54% | 0.538 | C | S | . | . | trans | -87.1 | 117 | 177 | -162.3 | -23.1 | 0 | 0 | 0 | 110.3 | D97 R102 K168 | D97-D100 HydrophobicContact CB-CB 3.76Å; D97-D100 PolarHBondContact O-N 3.49Å; D100-R102 PolarHBondContact O-N 3.4Å; D100-R102 WeakPolarHBondContact OD1-CB 3.35Å; D100-R102 WeakPolarHBondContact OD1-CG 3.29Å; D100-R102 IonicContact OD1-CZ 3.89Å; D100-R102 PolarHBondContact OD1-N 2.77Å; D100-R102 IonicContact OD1-NE 2.95Å; D100-R102 PolarHBondContact OD1-NE 2.87Å; D100-R102 IonicContact OD1-NH2 2.87Å; D100-R102 IonicContact OD2-CZ 3.2Å; D100-R102 IonicContact OD2-NE 2.96Å; D100-R102 PolarHBondContact OD2-NE 2.87Å; D100-R102 IonicContact OD2-NH2 2.76Å; D100-R102 PolarHBondContact OD2-NH2 3.05Å; D100-K168 WeakPolarHBondContact OD2-CD 3.44Å | ||
| 101 | V | 74.2 | Confident | 75 | Confident | 144 Ų | 144 | 105.5 Ų | 105.5 | 87% | 0.873 | 53% | 0.525 | S | S | * | . | trans | -77.1 | -7.5 | -178.4 | -168.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 102 | R | 82.8 | Confident | 76.5 | Confident | 76 Ų | 76 | 100.7 Ų | 100.7 | 29% | 0.287 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -70.5 | 133.7 | -178.2 | -70 | -179.8 | -72.8 | -175.4 | -5 | 111.2 | D100 T164 Q166 K168 | D100-R102 PolarHBondContact O-N 3.4Å; D100-R102 WeakPolarHBondContact OD1-CB 3.35Å; D100-R102 WeakPolarHBondContact OD1-CG 3.29Å; D100-R102 IonicContact OD1-CZ 3.89Å; D100-R102 PolarHBondContact OD1-N 2.77Å; D100-R102 IonicContact OD1-NE 2.95Å; D100-R102 PolarHBondContact OD1-NE 2.87Å; D100-R102 IonicContact OD1-NH2 2.87Å; D100-R102 IonicContact OD2-CZ 3.2Å; D100-R102 IonicContact OD2-NE 2.96Å; D100-R102 PolarHBondContact OD2-NE 2.87Å; D100-R102 IonicContact OD2-NH2 2.76Å; D100-R102 PolarHBondContact OD2-NH2 3.05Å; R102-T164 PolarHBondContact NH1-O 2.71Å; R102-Q166 WeakPolarHBondContact CB-O 3.43Å; R102-K168 HydrophobicContact CB-CB 4.12Å |
| 103 | E | 83.6 | Confident | 78.1 | Confident | 141 Ų | 141 | 100 Ų | 100 | 66% | 0.659 | 48% | 0.478 | S | S | * | . | B | Isolated β-bridge | trans | -70.3 | 141.5 | 177 | -66 | -176.3 | 159.6 | 0 | 0 | 110.9 | K167 K168 | E103-K167 VanDerWaalsContact O-CA 3.23Å; E103-K167 WeakPolarHBondContact O-CA 3.42Å; E103-K167 VanDerWaalsContact O-CB 3.26Å; E103-K167 WeakPolarHBondContact O-CB 3.21Å; E103-K167 WeakPolarHBondContact O-CG 3.2Å; E103-K168 PolarHBondContact O-N 2.88Å |
| 104 | I | 87.6 | Confident | 79.6 | Confident | 126 Ų | 126 | 104 Ų | 104 | 65% | 0.646 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 122.5 | 172.9 | -57.2 | 172.5 | 0 | 0 | 0 | 107.9 | L169 | I104-L169 HydrophobicContact CG2-CD1 3.62Š|
| 105 | P | 91.1 | Very high | 81 | Confident | 3 Ų | 3 | 100.1 Ų | 100.1 | 2% | 0.019 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 154.7 | 177.4 | 28.7 | -31.9 | 0 | 0 | 0 | 111.2 | Y107 I141 K142 L143 K167 K168 L169 | P105-Y107 PolarHBondContact O-N 2.76Å; P105-I141 HydrophobicContact CB-CG2 3.83Å; P105-I141 HydrophobicContact CG-CG2 3.65Å; P105-K142 WeakPolarHBondContact CB-O 3.41Å; P105-L143 HydrophobicContact CB-CD2 3.92Å; P105-L143 HydrophobicContact CG-CD2 4.18Å; P105-K167 HydrophobicContact CB-CD 3.9Å; P105-K167 HydrophobicContact CG-CB 4.49Å; P105-K168 VanDerWaalsContact CD-O 3.29Å; P105-K168 WeakPolarHBondContact CD-O 3.17Å; P105-L169 HydrophobicContact CG-CB 3.79Å; P105-L169 HydrophobicContact CG-CD1 4.42Å; P105-L169 HydrophobicContact CG-CD2 4.33Å; P105-L169 HydrophobicContact CG-CG 4.42Å |
| 106 | E | 92.2 | Very high | 82.5 | Confident | 125 Ų | 125 | 97.4 Ų | 97.4 | 58% | 0.584 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 126.9 | 169.9 | -170.6 | -170.1 | 149.9 | 0 | 0 | 109.1 | K142 | E106-K142 HydrophobicContact CB-CB 4.38Å; E106-K142 HydrophobicContact CB-CD 4.28Å; E106-K142 HydrophobicContact CG-CD 4.42Å; E106-K142 PolarHBondContact O-N 3.1Å; E106-K142 IonicContact OE1-NZ 2.71Å; E106-K142 PolarHBondContact OE1-NZ 2.69Å; E106-K142 WeakPolarHBondContact OE2-CD 3.46Å; E106-K142 IonicContact OE2-NZ 3.06Å; E106-K142 PolarHBondContact OE2-NZ 2.95Å |
| 107 | Y | 93.4 | Very high | 84 | Confident | 111 Ų | 111 | 96.4 Ų | 96.4 | 44% | 0.435 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 152.6 | -179.5 | 70.5 | -86.2 | 0 | 0 | 0 | 111.6 | P105 I109 K140 L169 I171 | P105-Y107 PolarHBondContact O-N 2.76Å; Y107-I109 HydrophobicContact CD2-CG1 4.27Å; Y107-I109 HydrophobicContact CE2-CD1 4.38Å; Y107-I109 HydrophobicContact CE2-CG1 4.45Å; Y107-K140 CarbonylContact C-O 3.49Å; Y107-K140 VanDerWaalsContact CA-O 3.25Å; Y107-K140 WeakPolarHBondContact CA-O 2.96Å; Y107-L169 HydrophobicContact CD1-CD1 3.49Å; Y107-L169 VanDerWaalsContact CD1-CD1 3.49Å; Y107-L169 HydrophobicContact CD1-CD2 4.22Å; Y107-L169 HydrophobicContact CE1-CD1 3.77Å; Y107-L169 HydrophobicContact CG-CD1 4.16Å; Y107-L169 HydrophobicContact CG-CD2 4.08Å; Y107-I171 HydrophobicContact CD2-CD1 3.96Å; Y107-I171 HydrophobicContact CE1-CG2 4.11Å; Y107-I171 HydrophobicContact CE2-CD1 4Å; Y107-I171 HydrophobicContact CE2-CG2 4.14Å |
| 108 | E | 94.6 | Very high | 85.3 | Confident | 113 Ų | 113 | 96.6 Ų | 96.6 | 53% | 0.528 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 133.9 | 176.7 | -173.2 | -175.2 | -171.4 | 0 | 0 | 108.7 | I110 A139 K140 | E108-I110 HydrophobicContact CG-CD1 4.31Å; E108-I110 HydrophobicContact CG-CG1 3.94Å; E108-A139 CarbonylContact O-C 3.59Å; E108-A139 WeakPolarHBondContact O-CA 3.25Å; E108-K140 HydrophobicContact CB-CB 4.44Å; E108-K140 PolarHBondContact N-O 3.23Å; E108-K140 PolarHBondContact O-N 3.39Å |
| 109 | I | 93.9 | Very high | 86.4 | Confident | 53 Ų | 53 | 90 Ų | 90 | 27% | 0.272 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 123.6 | 175.4 | -57.3 | 176.9 | 0 | 0 | 0 | 108.1 | Y107 L137 I171 | Y107-I109 HydrophobicContact CD2-CG1 4.27Å; Y107-I109 HydrophobicContact CE2-CD1 4.38Å; Y107-I109 HydrophobicContact CE2-CG1 4.45Å; I109-L137 HydrophobicContact CG2-CD1 3.47Å; I109-L137 VanDerWaalsContact CG2-CD1 3.47Å; I109-L137 HydrophobicContact CG2-CD2 4.23Å; I109-L137 HydrophobicContact CG2-CG 3.93Å; I109-I171 HydrophobicContact CD1-CD1 4.05Å; I109-I171 HydrophobicContact CG1-CD1 4.47Å |
| 110 | I | 93.9 | Very high | 87.6 | Confident | 50 Ų | 50 | 84.2 Ų | 84.2 | 26% | 0.256 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.8 | -175.8 | -57.3 | 169.8 | 0 | 0 | 0 | 109 | E108 V138 K140 | E108-I110 HydrophobicContact CG-CD1 4.31Å; E108-I110 HydrophobicContact CG-CG1 3.94Å; I110-V138 HydrophobicContact CB-CB 4.39Å; I110-V138 PolarHBondContact N-O 3.08Å; I110-V138 PolarHBondContact O-N 3.22Å; I110-K140 HydrophobicContact CD1-CD 3.68Å; I110-K140 HydrophobicContact CD1-CG 4.26Å |
| 111 | F | 92.9 | Very high | 88.3 | Confident | 69 Ų | 69 | 89.8 Ų | 89.8 | 30% | 0.303 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 124.8 | 170.5 | -64.1 | -89.1 | 0 | 0 | 0 | 109.5 | T131 C134 L137 P174 E175 M199 | F111-T131 HydrophobicContact CB-CG2 4.22Å; F111-T131 HydrophobicContact CD1-CG2 4.44Å; F111-T131 HydrophobicContact CD2-CG2 3.77Å; F111-T131 HydrophobicContact CE2-CG2 4.24Å; F111-T131 HydrophobicContact CG-CG2 3.89Å; F111-C134 HydrophobicContact CB-CB 3.87Å; F111-L137 HydrophobicContact CD1-CD1 3.61Å; F111-L137 HydrophobicContact CE1-CD1 3.46Å; F111-L137 VanDerWaalsContact CE1-CD1 3.46Å; F111-L137 HydrophobicContact CE2-CD1 4.4Å; F111-L137 HydrophobicContact CG-CD1 4.17Å; F111-L137 HydrophobicContact CZ-CD1 3.88Å; F111-P174 HydrophobicContact CE1-CG 4.39Å; F111-P174 HydrophobicContact CZ-CB 4.41Å; F111-P174 HydrophobicContact CZ-CG 3.78Å; F111-E175 HydrophobicContact CE1-CG 4.47Å; F111-M199 HydrophobicContact CD1-CE 3.67Å; F111-M199 HydrophobicContact CD1-SD 3.9Å; F111-M199 HydrophobicContact CE1-CE 4.28Å; F111-M199 HydrophobicContact CE1-SD 3.88Å |
| 112 | R | 92.1 | Very high | 88.9 | Confident | 101 Ų | 101 | 88.5 Ų | 88.5 | 38% | 0.381 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.1 | -179.7 | -171.9 | 172.9 | 86.7 | -169.6 | 5.6 | 110.4 | S135 E136 V138 | R112-S135 PolarHBondContact O-N 2.92Å; R112-E136 HydrophobicContact CB-CB 4.17Å; R112-E136 IonicContact CZ-OE1 3.95Å; R112-E136 IonicContact CZ-OE2 2.66Å; R112-E136 PolarHBondContact N-O 2.97Å; R112-E136 IonicContact NE-OE2 2.54Å; R112-E136 PolarHBondContact NE-OE2 3.26Å; R112-E136 IonicContact NH2-OE1 3.26Å; R112-E136 PolarHBondContact NH2-OE1 3.19Å; R112-E136 IonicContact NH2-OE2 3.14Å; R112-E136 PolarHBondContact NH2-OE2 3.39Å; R112-E136 PolarHBondContact O-N 3.24Å; R112-V138 HydrophobicContact CB-CG2 3.94Å |
| 113 | Q | 89.9 | Confident | 88.9 | Confident | 48 Ų | 48 | 87.4 Ų | 87.4 | 22% | 0.224 | 44% | 0.441 | C | S | . | . | trans | -98.2 | 129.2 | 174.8 | -175.9 | 174.4 | -39.4 | 0 | 0 | 110.5 | V115 K127 D128 | Q113-V115 HydrophobicContact CG-CG1 3.9Å; Q113-V115 PolarHBondContact O-N 3.37Å; Q113-K127 HydrophobicContact CG-CD 4.3Å; Q113-K127 VanDerWaalsContact NE2-CB 3.3Å; Q113-D128 PolarHBondContact OE1-O 3.44Å | ||
| 114 | Q | 86.6 | Confident | 88.7 | Confident | 133 Ų | 133 | 86.6 Ų | 86.6 | 62% | 0.621 | 44% | 0.44 | S | S | * | . | trans | -78.1 | 109.6 | 168.9 | -174.7 | 176 | -9.1 | 0 | 0 | 109.1 | K127 | Q114-K127 PolarHBondContact O-NZ 2.83Š| ||
| 115 | V | 87 | Confident | 88.1 | Confident | 77 Ų | 77 | 82.1 Ų | 82.1 | 47% | 0.467 | 42% | 0.42 | S | S | . | . | trans | -107.5 | 128.8 | 177.3 | -67.6 | 0 | 0 | 0 | 0 | 111.5 | Q113 D119 I120 | Q113-V115 HydrophobicContact CG-CG1 3.9Å; Q113-V115 PolarHBondContact O-N 3.37Å; V115-D119 WeakPolarHBondContact CA-OD2 3.35Å; V115-D119 HydrophobicContact CB-CB 4.41Å; V115-I120 HydrophobicContact CB-CG1 4.45Å; V115-I120 HydrophobicContact CG2-CD1 4.12Å | ||
| 116 | G | 87.4 | Confident | 87.5 | Confident | 22 Ų | 22 | 92.3 Ų | 92.3 | 23% | 0.227 | 46% | 0.458 | C | S | . | . | trans | -89.8 | 171.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E118 D119 I120 | G116-E118 PolarHBondContact O-N 3.27Å; G116-D119 PolarHBondContact N-OD2 2.85Å; G116-D119 WeakPolarHBondContact O-CB 3.48Å; G116-D119 PolarHBondContact O-N 3.17Å; G116-I120 PolarHBondContact O-N 2.82Å | ||
| 117 | T | 88.9 | Confident | 87.1 | Confident | 101 Ų | 101 | 89.4 Ų | 89.4 | 62% | 0.62 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.9 | -31.4 | 170.1 | 45.9 | 0 | 0 | 0 | 0 | 111.8 | D119 I120 F121 | T117-D119 VanDerWaalsContact C-N 3.26Å; T117-D119 PolarHBondContact O-N 2.94Å; T117-I120 PolarHBondContact O-N 2.98Å; T117-F121 HydrophobicContact CG2-CD2 4.44Å; T117-F121 HydrophobicContact CG2-CE2 4.42Å; T117-F121 WeakPolarHBondContact O-CB 3.4Å; T117-F121 WeakPolarHBondContact O-CD2 3.46Å; T117-F121 PolarHBondContact O-N 3.49Å |
| 118 | E | 87.6 | Confident | 86.6 | Confident | 90 Ų | 90 | 88 Ų | 88 | 42% | 0.421 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.4 | -32.4 | 174.1 | 68.5 | -86.6 | -162.6 | 0 | 0 | 112.5 | G116 L122 G123 | G116-E118 PolarHBondContact O-N 3.27Å; E118-L122 HydrophobicContact CB-CD1 4.39Å; E118-L122 CarbonylContact O-C 3.52Å; E118-L122 VanDerWaalsContact O-CA 3.31Å; E118-L122 WeakPolarHBondContact O-CA 3.49Å; E118-L122 VanDerWaalsContact O-CB 3.32Å; E118-L122 WeakPolarHBondContact O-CB 3.22Å; E118-L122 PolarHBondContact O-N 3.43Å; E118-G123 PolarHBondContact O-N 3.05Å |
| 119 | D | 84.1 | Confident | 86.2 | Confident | 25 Ų | 25 | 88.9 Ų | 88.9 | 13% | 0.134 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -69.8 | -46.3 | 179.3 | -59.5 | -21.1 | 0 | 0 | 0 | 110.5 | V115 G116 T117 G123 S125 K127 | V115-D119 WeakPolarHBondContact CA-OD2 3.35Å; V115-D119 HydrophobicContact CB-CB 4.41Å; G116-D119 PolarHBondContact N-OD2 2.85Å; G116-D119 WeakPolarHBondContact O-CB 3.48Å; G116-D119 PolarHBondContact O-N 3.17Å; T117-D119 VanDerWaalsContact C-N 3.26Å; T117-D119 PolarHBondContact O-N 2.94Å; D119-G123 PolarHBondContact O-N 2.72Å; D119-S125 WeakPolarHBondContact OD1-CB 3.28Å; D119-K127 IonicContact OD2-NZ 3.83Å; D119-K127 PolarHBondContact OD2-NZ 2.8Å |
| 120 | I | 85.7 | Confident | 85.8 | Confident | 115 Ų | 115 | 87.9 Ų | 87.9 | 59% | 0.59 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -76 | -42.3 | -175.1 | -60.9 | 170.3 | 0 | 0 | 0 | 111.4 | V115 G116 T117 | V115-I120 HydrophobicContact CB-CG1 4.45Å; V115-I120 HydrophobicContact CG2-CD1 4.12Å; G116-I120 PolarHBondContact O-N 2.82Å; T117-I120 PolarHBondContact O-N 2.98Å |
| 121 | F | 85.7 | Confident | 85.3 | Confident | 162 Ų | 162 | 89.2 Ų | 89.2 | 71% | 0.711 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -98.3 | -30.5 | -171.6 | -69.4 | -79.9 | 0 | 0 | 0 | 114 | T117 | T117-F121 HydrophobicContact CG2-CD2 4.44Å; T117-F121 HydrophobicContact CG2-CE2 4.42Å; T117-F121 WeakPolarHBondContact O-CB 3.4Å; T117-F121 WeakPolarHBondContact O-CD2 3.46Å; T117-F121 PolarHBondContact O-N 3.49Å |
| 122 | L | 86.1 | Confident | 84.9 | Confident | 117 Ų | 117 | 89.5 Ų | 89.5 | 61% | 0.613 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -16.3 | -173.1 | -53.6 | 176.6 | 0 | 0 | 0 | 113.3 | E118 L124 | E118-L122 HydrophobicContact CB-CD1 4.39Å; E118-L122 CarbonylContact O-C 3.52Å; E118-L122 VanDerWaalsContact O-CA 3.31Å; E118-L122 WeakPolarHBondContact O-CA 3.49Å; E118-L122 VanDerWaalsContact O-CB 3.32Å; E118-L122 WeakPolarHBondContact O-CB 3.22Å; E118-L122 PolarHBondContact O-N 3.43Å; L122-L124 HydrophobicContact CB-CD1 3.89Å; L122-L124 HydrophobicContact CB-CG 3.7Å; L122-L124 HydrophobicContact CD1-CD1 3.93Å; L122-L124 PolarHBondContact O-N 3.29Å |
| 123 | G | 82.1 | Confident | 84.4 | Confident | 53 Ų | 53 | 86.1 Ų | 86.1 | 55% | 0.546 | 47% | 0.473 | S | S | . | . | trans | 61.4 | 26.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | E118 D119 | E118-G123 PolarHBondContact O-N 3.05Å; D119-G123 PolarHBondContact O-N 2.72Å | ||
| 124 | L | 80.3 | Confident | 84.4 | Confident | 124 Ų | 124 | 84.3 Ų | 84.3 | 65% | 0.649 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -31.5 | -170.8 | -65.1 | 177.2 | 0 | 0 | 0 | 113.6 | L122 R126 | L122-L124 HydrophobicContact CB-CD1 3.89Å; L122-L124 HydrophobicContact CB-CG 3.7Å; L122-L124 HydrophobicContact CD1-CD1 3.93Å; L122-L124 PolarHBondContact O-N 3.29Å; L124-R126 PolarHBondContact O-N 2.78Å |
| 125 | S | 74.7 | Confident | 84.5 | Confident | 32 Ų | 32 | 79.2 Ų | 79.2 | 22% | 0.224 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 5 | -173.7 | -162 | 0 | 0 | 0 | 0 | 114.3 | D119 K127 | D119-S125 WeakPolarHBondContact OD1-CB 3.28Å; S125-K127 PolarHBondContact O-N 2.84Å; S125-K127 WeakPolarHBondContact OG-CE 3.44Å |
| 126 | R | 78.4 | Confident | 84.7 | Confident | 217 Ų | 217 | 77.2 Ų | 77.2 | 82% | 0.819 | 43% | 0.43 | S | S | * | . | trans | 50.4 | 15.1 | 179.9 | -63.5 | -175.9 | 175.5 | -177 | 1.3 | 115.7 | L124 D128 | L124-R126 PolarHBondContact O-N 2.78Å; R126-D128 PolarHBondContact O-N 2.75Å | ||
| 127 | K | 84.9 | Confident | 85 | Confident | 65 Ų | 65 | 76.1 Ų | 76.1 | 28% | 0.283 | 42% | 0.419 | S | S | . | . | trans | -66.5 | 131.4 | 176.8 | -62.8 | 177.9 | -174 | 153.1 | 0 | 109.7 | Q113 Q114 D119 S125 C133 | Q113-K127 HydrophobicContact CG-CD 4.3Å; Q113-K127 VanDerWaalsContact NE2-CB 3.3Å; Q114-K127 PolarHBondContact O-NZ 2.83Å; D119-K127 IonicContact OD2-NZ 3.83Å; D119-K127 PolarHBondContact OD2-NZ 2.8Å; S125-K127 PolarHBondContact O-N 2.84Å; S125-K127 WeakPolarHBondContact OG-CE 3.44Å; K127-C133 HydrophobicContact CB-CB 4.2Å; K127-C133 HydrophobicContact CG-CB 4.49Å | ||
| 128 | D | 82.7 | Confident | 85.2 | Confident | 81 Ų | 81 | 71.6 Ų | 71.6 | 43% | 0.433 | 39% | 0.391 | S | S | . | . | trans | -108.3 | 175.9 | 174.6 | 75 | -59.5 | 0 | 0 | 0 | 110.6 | Q113 R126 S130 C133 | Q113-D128 PolarHBondContact OE1-O 3.44Å; R126-D128 PolarHBondContact O-N 2.75Å; D128-S130 PolarHBondContact O-N 3.26Å; D128-S130 PolarHBondContact OD1-OG 3.22Å; D128-S130 WeakPolarHBondContact OD2-CB 3.46Å; D128-S130 PolarHBondContact OD2-N 2.97Å; D128-S130 VanDerWaalsContact OD2-N 3.08Å; D128-S130 PolarHBondContact OD2-OG 2.89Å; D128-C133 PolarHBondContact N-SG 2.79Å; D128-C133 PolarHBondContact OD1-SG 2.87Å | ||
| 129 | S | 84.5 | Confident | 85.5 | Confident | 131 Ų | 131 | 67.3 Ų | 67.3 | 92% | 0.916 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -78.4 | 8.9 | -179.7 | -53.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 130 | S | 85.8 | Confident | 86.1 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 22% | 0.224 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -69.7 | 155.9 | 174.7 | 68.3 | 0 | 0 | 0 | 0 | 112.2 | D128 S132 C133 | D128-S130 PolarHBondContact O-N 3.26Å; D128-S130 PolarHBondContact OD1-OG 3.22Å; D128-S130 WeakPolarHBondContact OD2-CB 3.46Å; D128-S130 PolarHBondContact OD2-N 2.97Å; D128-S130 VanDerWaalsContact OD2-N 3.08Å; D128-S130 PolarHBondContact OD2-OG 2.89Å; S130-S132 PolarHBondContact O-N 2.72Å; S130-S132 WeakPolarHBondContact OG-CB 3.4Å; S130-S132 PolarHBondContact OG-N 3.44Å; S130-C133 PolarHBondContact O-N 3.42Å |
| 131 | T | 84.9 | Confident | 86.5 | Confident | 78 Ų | 78 | 64.1 Ų | 64.1 | 48% | 0.479 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -63.9 | -20 | 168.8 | 51.5 | 0 | 0 | 0 | 0 | 112.3 | F111 C133 C134 R201 | F111-T131 HydrophobicContact CB-CG2 4.22Å; F111-T131 HydrophobicContact CD1-CG2 4.44Å; F111-T131 HydrophobicContact CD2-CG2 3.77Å; F111-T131 HydrophobicContact CE2-CG2 4.24Å; F111-T131 HydrophobicContact CG-CG2 3.89Å; T131-C133 VanDerWaalsContact C-N 3.27Å; T131-C133 PolarHBondContact O-N 2.87Å; T131-C134 WeakPolarHBondContact O-CB 3.35Å; T131-C134 PolarHBondContact O-N 3.43Å; T131-R201 PolarHBondContact O-NH2 2.86Å |
| 132 | S | 82.7 | Confident | 86.9 | Confident | 75 Ų | 75 | 60.9 Ų | 60.9 | 52% | 0.524 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -65.1 | -29.1 | 176.3 | -52.9 | 0 | 0 | 0 | 0 | 112.8 | S130 | S130-S132 PolarHBondContact O-N 2.72Å; S130-S132 WeakPolarHBondContact OG-CB 3.4Å; S130-S132 PolarHBondContact OG-N 3.44Å |
| 133 | C | 83.2 | Confident | 87.1 | Confident | 30 Ų | 30 | 55.3 Ų | 55.3 | 20% | 0.203 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -89.6 | -2.2 | 176.2 | -76.2 | 0 | 0 | 0 | 0 | 114 | K127 D128 S130 T131 | K127-C133 HydrophobicContact CB-CB 4.2Å; K127-C133 HydrophobicContact CG-CB 4.49Å; D128-C133 PolarHBondContact N-SG 2.79Å; D128-C133 PolarHBondContact OD1-SG 2.87Å; S130-C133 PolarHBondContact O-N 3.42Å; T131-C133 VanDerWaalsContact C-N 3.27Å; T131-C133 PolarHBondContact O-N 2.87Å |
| 134 | C | 88.4 | Confident | 87.3 | Confident | 10 Ų | 10 | 54.9 Ų | 54.9 | 7% | 0.068 | 30% | 0.296 | C | S | . | . | trans | -83 | 120.7 | -178.3 | -68 | 0 | 0 | 0 | 0 | 110.9 | F111 T131 M199 R201 | F111-C134 HydrophobicContact CB-CB 3.87Å; T131-C134 WeakPolarHBondContact O-CB 3.35Å; T131-C134 PolarHBondContact O-N 3.43Å; C134-M199 HydrophobicContact CB-CE 4.07Å; C134-M199 WeakPolarHBondContact O-CE 3.44Å; C134-R201 PolarHBondContact O-NH1 2.97Å; C134-R201 PolarHBondContact O-NH2 2.93Å | ||
| 135 | S | 88.5 | Confident | 87.5 | Confident | 27 Ų | 27 | 55.2 Ų | 55.2 | 19% | 0.189 | 30% | 0.299 | C | S | . | . | trans | -84.2 | -24.4 | -179.6 | 49.9 | 0 | 0 | 0 | 0 | 113.9 | R112 M199 | R112-S135 PolarHBondContact O-N 2.92Å; S135-M199 PolarHBondContact O-N 3.08Å | ||
| 136 | E | 91.8 | Very high | 88 | Confident | 34 Ų | 34 | 54.3 Ų | 54.3 | 16% | 0.159 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 142.2 | -171 | -64.1 | 174.3 | 119.5 | 0 | 0 | 111.2 | R112 T196 M197 M199 | R112-E136 HydrophobicContact CB-CB 4.17Å; R112-E136 IonicContact CZ-OE1 3.95Å; R112-E136 IonicContact CZ-OE2 2.66Å; R112-E136 PolarHBondContact N-O 2.97Å; R112-E136 IonicContact NE-OE2 2.54Å; R112-E136 PolarHBondContact NE-OE2 3.26Å; R112-E136 IonicContact NH2-OE1 3.26Å; R112-E136 PolarHBondContact NH2-OE1 3.19Å; R112-E136 IonicContact NH2-OE2 3.14Å; R112-E136 PolarHBondContact NH2-OE2 3.39Å; R112-E136 PolarHBondContact O-N 3.24Å; E136-T196 HydrophobicContact CB-CG2 4.34Å; E136-M197 CarbonylContact C-O 3.36Å; E136-M197 WeakPolarHBondContact CA-O 3.34Å; E136-M199 WeakPolarHBondContact O-CE 3.1Å |
| 137 | L | 93.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133.7 | 171.8 | -168.9 | 74.3 | 0 | 0 | 0 | 108.3 | I109 F111 L173 P174 V177 T196 M197 M199 | I109-L137 HydrophobicContact CG2-CD1 3.47Å; I109-L137 VanDerWaalsContact CG2-CD1 3.47Å; I109-L137 HydrophobicContact CG2-CD2 4.23Å; I109-L137 HydrophobicContact CG2-CG 3.93Å; F111-L137 HydrophobicContact CD1-CD1 3.61Å; F111-L137 HydrophobicContact CE1-CD1 3.46Å; F111-L137 VanDerWaalsContact CE1-CD1 3.46Å; F111-L137 HydrophobicContact CE2-CD1 4.4Å; F111-L137 HydrophobicContact CG-CD1 4.17Å; F111-L137 HydrophobicContact CZ-CD1 3.88Å; L137-L173 HydrophobicContact CD2-CD2 3.96Å; L137-P174 HydrophobicContact CD1-CG 4.47Å; L137-V177 HydrophobicContact CD2-CG1 4.25Å; L137-T196 CarbonylContact O-C 3.56Å; L137-T196 WeakPolarHBondContact O-CA 3.33Å; L137-M197 HydrophobicContact CB-CG 3.73Å; L137-M197 HydrophobicContact CB-SD 4.45Å; L137-M197 HydrophobicContact CD2-CG 4.26Å; L137-M197 HydrophobicContact CD2-SD 3.88Å; L137-M197 HydrophobicContact CG-CG 4.42Å; L137-M197 PolarHBondContact N-O 2.8Å; L137-M197 WeakPolarHBondContact O-CG 3.48Å; L137-M197 PolarHBondContact O-N 2.81Å; L137-M199 HydrophobicContact CB-CE 4.2Å; L137-M199 HydrophobicContact CB-CG 4.09Å; L137-M199 HydrophobicContact CB-SD 4.34Å; L137-M199 HydrophobicContact CD1-SD 4.5Å |
| 138 | V | 94.3 | Very high | 88.3 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.03 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 111.7 | -178.4 | -177.1 | 0 | 0 | 0 | 0 | 109 | I110 R112 K140 E194 I195 T196 | I110-V138 HydrophobicContact CB-CB 4.39Å; I110-V138 PolarHBondContact N-O 3.08Å; I110-V138 PolarHBondContact O-N 3.22Å; R112-V138 HydrophobicContact CB-CG2 3.94Å; V138-K140 HydrophobicContact CG1-CG 4.33Å; V138-E194 HydrophobicContact CG1-CG 3.43Å; V138-E194 VanDerWaalsContact CG1-CG 3.43Å; V138-I195 CarbonylContact C-O 3.58Å; V138-I195 VanDerWaalsContact CA-O 3.28Å; V138-I195 WeakPolarHBondContact CA-O 3.3Å; V138-T196 HydrophobicContact CG2-CG2 4.26Å |
| 139 | A | 94.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 119.6 | 173 | 0 | 0 | 0 | 0 | 0 | 109.8 | E108 L160 E194 I195 M197 | E108-A139 CarbonylContact O-C 3.59Å; E108-A139 WeakPolarHBondContact O-CA 3.25Å; A139-L160 HydrophobicContact CB-CD2 4.01Å; A139-E194 WeakPolarHBondContact O-CA 3.43Å; A139-I195 HydrophobicContact CB-CB 4.37Å; A139-I195 PolarHBondContact N-O 2.89Å; A139-I195 PolarHBondContact O-N 3.08Å; A139-M197 HydrophobicContact CB-CE 4.48Å |
| 140 | K | 95.1 | Very high | 88.7 | Confident | 73 Ų | 73 | 48.2 Ų | 48.2 | 32% | 0.317 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.5 | 174.7 | -67.8 | -174.6 | 179.4 | 174 | 0 | 109.3 | Y107 E108 I110 V138 T192 L193 E194 | Y107-K140 CarbonylContact C-O 3.49Å; Y107-K140 VanDerWaalsContact CA-O 3.25Å; Y107-K140 WeakPolarHBondContact CA-O 2.96Å; E108-K140 HydrophobicContact CB-CB 4.44Å; E108-K140 PolarHBondContact N-O 3.23Å; E108-K140 PolarHBondContact O-N 3.39Å; I110-K140 HydrophobicContact CD1-CD 3.68Å; I110-K140 HydrophobicContact CD1-CG 4.26Å; V138-K140 HydrophobicContact CG1-CG 4.33Å; K140-T192 HydrophobicContact CB-CG2 4.14Å; K140-L193 CarbonylContact C-O 3.59Å; K140-L193 WeakPolarHBondContact CA-O 3.5Å; K140-E194 HydrophobicContact CG-CG 4.34Å |
| 141 | I | 94.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 120.9 | -174.3 | -56.1 | 160.7 | 0 | 0 | 0 | 108.1 | P105 L143 L160 L162 L169 T192 L193 I195 | P105-I141 HydrophobicContact CB-CG2 3.83Å; P105-I141 HydrophobicContact CG-CG2 3.65Å; I141-L143 HydrophobicContact CG2-CD2 4.01Å; I141-L143 HydrophobicContact CG2-CG 4.07Å; I141-L143 PolarHBondContact O-N 2.8Å; I141-L160 HydrophobicContact CD1-CD2 4.19Å; I141-L162 HydrophobicContact CD1-CD1 3.78Å; I141-L162 HydrophobicContact CG2-CD1 4.44Å; I141-L169 HydrophobicContact CD1-CD2 3.67Å; I141-L169 HydrophobicContact CG1-CD2 3.82Å; I141-L169 HydrophobicContact CG2-CD2 4.08Å; I141-T192 WeakPolarHBondContact O-CA 3.4Å; I141-L193 PolarHBondContact N-O 2.79Å; I141-L193 PolarHBondContact O-N 3.11Å; I141-I195 HydrophobicContact CD1-CD1 3.88Å |
| 142 | K | 93.6 | Very high | 89.2 | Confident | 94 Ų | 94 | 50.7 Ų | 50.7 | 41% | 0.409 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 116.9 | 179.1 | -66.6 | -178.2 | -174.8 | 164.6 | 0 | 110.2 | P105 E106 P144 | P105-K142 WeakPolarHBondContact CB-O 3.41Å; E106-K142 HydrophobicContact CB-CB 4.38Å; E106-K142 HydrophobicContact CB-CD 4.28Å; E106-K142 HydrophobicContact CG-CD 4.42Å; E106-K142 PolarHBondContact O-N 3.1Å; E106-K142 IonicContact OE1-NZ 2.71Å; E106-K142 PolarHBondContact OE1-NZ 2.69Å; E106-K142 WeakPolarHBondContact OE2-CD 3.46Å; E106-K142 IonicContact OE2-NZ 3.06Å; E106-K142 PolarHBondContact OE2-NZ 2.95Å; K142-P144 VanDerWaalsContact C-CD 3.42Å; K142-P144 WeakPolarHBondContact O-CD 3.48Å |
| 143 | L | 90.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -123.4 | 68.6 | -177.7 | -63.4 | 174 | 0 | 0 | 0 | 110.4 | P105 I141 T146 I151 L162 T164 K167 E191 L193 | P105-L143 HydrophobicContact CB-CD2 3.92Å; P105-L143 HydrophobicContact CG-CD2 4.18Å; I141-L143 HydrophobicContact CG2-CD2 4.01Å; I141-L143 HydrophobicContact CG2-CG 4.07Å; I141-L143 PolarHBondContact O-N 2.8Å; L143-T146 WeakPolarHBondContact O-CB 3.2Å; L143-T146 PolarHBondContact O-N 2.89Å; L143-I151 HydrophobicContact CD1-CD1 3.86Å; L143-I151 HydrophobicContact CD1-CG1 4.43Å; L143-L162 HydrophobicContact CD1-CD1 4.07Å; L143-L162 HydrophobicContact CD1-CD2 4.4Å; L143-L162 HydrophobicContact CD2-CD2 4.08Å; L143-T164 HydrophobicContact CD1-CG2 4.41Å; L143-T164 HydrophobicContact CD2-CG2 4.37Å; L143-K167 HydrophobicContact CD2-CD 4.41Å; L143-E191 CarbonylContact C-O 3.46Å; L143-E191 PolarHBondContact N-O 3.44Å; L143-L193 HydrophobicContact CD1-CB 3.94Å; L143-L193 HydrophobicContact CD1-CD2 4.19Å | ||
| 144 | P | 87.2 | Confident | 90.1 | Very high | 44 Ų | 44 | 52 Ų | 52 | 29% | 0.286 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 143.6 | 179.2 | 26.8 | -36.6 | 0 | 0 | 0 | 111.5 | K142 T146 K167 E191 | K142-P144 VanDerWaalsContact C-CD 3.42Å; K142-P144 WeakPolarHBondContact O-CD 3.48Å; P144-T146 PolarHBondContact O-N 3.29Å; P144-T146 VanDerWaalsContact O-N 3.17Å; P144-T146 PolarHBondContact O-OG1 3.37Å; P144-K167 VanDerWaalsContact CG-NZ 3.34Å; P144-E191 VanDerWaalsContact CA-OE2 3.23Å; P144-E191 WeakPolarHBondContact CA-OE2 3.22Å; P144-E191 WeakPolarHBondContact CB-OE2 3.49Å |
| 145 | N | 83.3 | Confident | 90.3 | Very high | 131 Ų | 131 | 53.1 Ų | 53.1 | 70% | 0.701 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 23.8 | 179.1 | -51.9 | -78 | 0 | 0 | 0 | 115.1 | E191 | N145-E191 PolarHBondContact N-OE1 2.99Š|
| 146 | T | 84.4 | Confident | 90.4 | Very high | 13 Ų | 13 | 56.2 Ų | 56.2 | 8% | 0.08 | 30% | 0.299 | C | S | . | . | trans | -105.7 | 134.6 | 179.3 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | L143 P144 I151 T164 Y186 | L143-T146 WeakPolarHBondContact O-CB 3.2Å; L143-T146 PolarHBondContact O-N 2.89Å; P144-T146 PolarHBondContact O-N 3.29Å; P144-T146 VanDerWaalsContact O-N 3.17Å; P144-T146 PolarHBondContact O-OG1 3.37Å; T146-I151 HydrophobicContact CG2-CD1 4.43Å; T146-I151 HydrophobicContact CG2-CG1 4Å; T146-T164 HydrophobicContact CG2-CG2 4.02Å; T146-Y186 PolarHBondContact O-OH 2.96Å | ||
| 147 | N | 86.3 | Confident | 90.4 | Very high | 100 Ų | 100 | 58.9 Ų | 58.9 | 54% | 0.535 | 31% | 0.312 | S | S | . | . | trans | -79.2 | 139.7 | 172.8 | -57.2 | -64.4 | 0 | 0 | 0 | 110.1 | S149 D150 | N147-S149 PolarHBondContact O-N 3.45Å; N147-D150 WeakPolarHBondContact CB-OD2 3.16Å; N147-D150 PolarHBondContact ND2-OD2 3.15Å; N147-D150 VanDerWaalsContact ND2-OD2 3.15Å; N147-D150 PolarHBondContact O-N 3.01Å; N147-D150 VanDerWaalsContact O-N 3.12Å | ||
| 148 | P | 84.1 | Confident | 90.3 | Very high | 71 Ų | 71 | 62 Ų | 62 | 46% | 0.461 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -62.8 | -26.4 | 179.7 | 24.5 | -33.9 | 0 | 0 | 0 | 113.6 | D150 I151 Y186 | P148-D150 VanDerWaalsContact C-N 3.29Å; P148-D150 PolarHBondContact O-N 3.02Å; P148-I151 PolarHBondContact O-N 2.69Å; P148-Y186 HydrophobicContact CB-CD1 3.79Å; P148-Y186 HydrophobicContact CB-CE1 4.34Å; P148-Y186 HydrophobicContact CB-CG 4.04Å; P148-Y186 HydrophobicContact CG-CD1 4.16Å; P148-Y186 HydrophobicContact CG-CE1 4.41Å |
| 149 | S | 87.2 | Confident | 90.1 | Very high | 114 Ų | 114 | 63 Ų | 63 | 80% | 0.797 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -72.9 | -20.1 | 178.8 | -57.8 | 0 | 0 | 0 | 0 | 114 | N147 I151 | N147-S149 PolarHBondContact O-N 3.45Å; S149-I151 VanDerWaalsContact C-N 3.35Å |
| 150 | D | 88 | Confident | 90 | Very high | 81 Ų | 81 | 63 Ų | 63 | 43% | 0.433 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -93.4 | 2.1 | -178.9 | -60.8 | -40.6 | 0 | 0 | 0 | 112.1 | N147 P148 P165 | N147-D150 WeakPolarHBondContact CB-OD2 3.16Å; N147-D150 PolarHBondContact ND2-OD2 3.15Å; N147-D150 VanDerWaalsContact ND2-OD2 3.15Å; N147-D150 PolarHBondContact O-N 3.01Å; N147-D150 VanDerWaalsContact O-N 3.12Å; P148-D150 VanDerWaalsContact C-N 3.29Å; P148-D150 PolarHBondContact O-N 3.02Å; D150-P165 HydrophobicContact CB-CG 3.94Å |
| 151 | I | 90.9 | Very high | 89.9 | Confident | 28 Ų | 28 | 60.4 Ų | 60.4 | 14% | 0.144 | 33% | 0.325 | C | S | . | . | trans | -88.4 | 117.4 | -178.1 | -52.8 | 177.5 | 0 | 0 | 0 | 109.1 | L143 T146 P148 S149 I153 L162 T164 Y186 L193 | L143-I151 HydrophobicContact CD1-CD1 3.86Å; L143-I151 HydrophobicContact CD1-CG1 4.43Å; T146-I151 HydrophobicContact CG2-CD1 4.43Å; T146-I151 HydrophobicContact CG2-CG1 4Å; P148-I151 PolarHBondContact O-N 2.69Å; S149-I151 VanDerWaalsContact C-N 3.35Å; I151-I153 HydrophobicContact CG2-CD1 4.15Å; I151-I153 HydrophobicContact CG2-CG1 3.77Å; I151-L162 HydrophobicContact CG2-CD1 4.2Å; I151-L162 HydrophobicContact CG2-CG 4.45Å; I151-T164 HydrophobicContact CG1-CG2 4.24Å; I151-T164 HydrophobicContact CG2-CG2 4.4Å; I151-Y186 HydrophobicContact CD1-CD2 3.93Å; I151-Y186 HydrophobicContact CD1-CE2 4.24Å; I151-L193 HydrophobicContact CG2-CD2 4.1Å | ||
| 152 | Q | 91.6 | Very high | 89.8 | Confident | 134 Ų | 134 | 60.4 Ų | 60.4 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.7 | 169.4 | -173.7 | 175.4 | 10.6 | 0 | 0 | 109.2 | R163 | Q152-R163 HydrophobicContact CB-CB 4.4Å; Q152-R163 PolarHBondContact N-O 3.28Å; Q152-R163 PolarHBondContact O-N 2.93Å |
| 153 | I | 92.2 | Very high | 89.6 | Confident | 51 Ų | 51 | 61 Ų | 61 | 26% | 0.262 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 127 | -179.1 | -47.7 | 169.1 | 0 | 0 | 0 | 107.6 | I151 I155 L160 D161 A184 L193 I195 | I151-I153 HydrophobicContact CG2-CD1 4.15Å; I151-I153 HydrophobicContact CG2-CG1 3.77Å; I153-I155 HydrophobicContact CG2-CD1 4.08Å; I153-I155 HydrophobicContact CG2-CG1 3.77Å; I153-L160 HydrophobicContact CG2-CD1 3.96Å; I153-D161 WeakPolarHBondContact CA-O 3.45Å; I153-A184 HydrophobicContact CD1-CB 3.71Å; I153-L193 HydrophobicContact CD1-CD1 4.25Å; I153-L193 HydrophobicContact CD1-CD2 3.69Å; I153-L193 HydrophobicContact CD1-CG 4.49Å; I153-L193 HydrophobicContact CG1-CD2 4.29Å; I153-I195 HydrophobicContact CD1-CD1 4.31Å; I153-I195 HydrophobicContact CG2-CD1 4.01Å |
| 154 | D | 92 | Very high | 89.5 | Confident | 81 Ų | 81 | 61.2 Ų | 61.2 | 43% | 0.433 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.9 | 169 | -165.8 | 70.6 | 0 | 0 | 0 | 108.4 | Q156 D161 | D154-Q156 PolarHBondContact OD2-NE2 3.24Å; D154-D161 HydrophobicContact CB-CB 4.25Å; D154-D161 PolarHBondContact N-O 2.8Å; D154-D161 PolarHBondContact O-N 2.85Å |
| 155 | I | 91.9 | Very high | 89.5 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 17% | 0.174 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 114.7 | -175.8 | -54 | 176.6 | 0 | 0 | 0 | 107.8 | I153 L160 V177 C179 A182 I195 | I153-I155 HydrophobicContact CG2-CD1 4.08Å; I153-I155 HydrophobicContact CG2-CG1 3.77Å; I155-L160 HydrophobicContact CD1-CD1 4.48Å; I155-L160 HydrophobicContact CG1-CD1 3.81Å; I155-V177 HydrophobicContact CG2-CG2 4.31Å; I155-C179 PolarHBondContact O-SG 3.27Å; I155-A182 HydrophobicContact CD1-CB 3.52Å; I155-A182 HydrophobicContact CG2-CB 4.45Å; I155-I195 HydrophobicContact CD1-CG2 3.71Å |
| 156 | Q | 91.8 | Very high | 89.6 | Confident | 92 Ų | 92 | 63 Ų | 63 | 43% | 0.43 | 33% | 0.334 | S | S | . | . | trans | -105.3 | 175.9 | 173.7 | -56.8 | -173.6 | -10.6 | 0 | 0 | 109.8 | D154 T158 I159 V177 | D154-Q156 PolarHBondContact OD2-NE2 3.24Å; Q156-T158 PolarHBondContact O-N 3.33Å; Q156-I159 HydrophobicContact CB-CB 4.19Å; Q156-I159 PolarHBondContact N-O 3.37Å; Q156-V177 WeakPolarHBondContact O-CG2 3.35Å | ||
| 157 | E | 90.6 | Very high | 89.7 | Confident | 90 Ų | 90 | 63.7 Ų | 63.7 | 42% | 0.421 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -62.4 | -31.7 | -177.6 | -68.4 | -170.6 | 131.3 | 0 | 0 | 112.5 | L176 V177 K200 | E157-L176 HydrophobicContact CB-CD2 4.15Å; E157-L176 WeakPolarHBondContact O-CA 3.43Å; E157-V177 PolarHBondContact O-N 2.95Å; E157-K200 IonicContact OE1-NZ 2.75Å; E157-K200 PolarHBondContact OE1-NZ 3.28Å |
| 158 | T | 90.6 | Very high | 89.9 | Confident | 66 Ų | 66 | 59.9 Ų | 59.9 | 41% | 0.405 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -127.4 | -1.5 | -177.7 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | Q156 T172 L173 L176 | Q156-T158 PolarHBondContact O-N 3.33Å; T158-T172 CarbonylContact O-C 3.55Å; T158-T172 VanDerWaalsContact O-CA 3.3Å; T158-T172 WeakPolarHBondContact O-CA 3.46Å; T158-L173 PolarHBondContact O-N 3.2Å; T158-L176 HydrophobicContact CG2-CD2 3.31Å; T158-L176 HydrophobicContact CG2-CG 4.48Å |
| 159 | I | 92 | Very high | 90.2 | Very high | 26 Ų | 26 | 56.6 Ų | 56.6 | 13% | 0.133 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 136.2 | -172 | -58.9 | 176.9 | 0 | 0 | 0 | 109.4 | Q156 L170 T172 | Q156-I159 HydrophobicContact CB-CB 4.19Å; Q156-I159 PolarHBondContact N-O 3.37Å; I159-L170 HydrophobicContact CG2-CD1 3.51Å; I159-L170 HydrophobicContact CG2-CG 4.48Å; I159-T172 HydrophobicContact CG1-CG2 4.43Å |
| 160 | L | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 112.9 | 170 | 174.9 | 65.9 | 0 | 0 | 0 | 108.8 | A139 I141 I153 I155 L170 I171 L173 I195 | A139-L160 HydrophobicContact CB-CD2 4.01Å; I141-L160 HydrophobicContact CD1-CD2 4.19Å; I153-L160 HydrophobicContact CG2-CD1 3.96Å; I155-L160 HydrophobicContact CD1-CD1 4.48Å; I155-L160 HydrophobicContact CG1-CD1 3.81Å; L160-L170 WeakPolarHBondContact O-CA 3.47Å; L160-I171 HydrophobicContact CB-CG1 3.91Å; L160-I171 HydrophobicContact CD2-CD1 4.04Å; L160-I171 HydrophobicContact CD2-CG1 4.19Å; L160-I171 HydrophobicContact CG-CG1 4.41Å; L160-I171 PolarHBondContact N-O 3.09Å; L160-I171 PolarHBondContact O-N 3Å; L160-L173 HydrophobicContact CB-CD2 4.09Å; L160-L173 HydrophobicContact CB-CG 4.38Å; L160-I195 HydrophobicContact CD1-CD1 3.9Å; L160-I195 HydrophobicContact CD2-CD1 4.14Å |
| 161 | D | 92.1 | Very high | 90.6 | Very high | 18 Ų | 18 | 50.6 Ų | 50.6 | 10% | 0.096 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 117.9 | 172.8 | -171.3 | -6.8 | 0 | 0 | 0 | 109.3 | I153 D154 R163 L169 L170 | I153-D161 WeakPolarHBondContact CA-O 3.45Å; D154-D161 HydrophobicContact CB-CB 4.25Å; D154-D161 PolarHBondContact N-O 2.8Å; D154-D161 PolarHBondContact O-N 2.85Å; D161-R163 VanDerWaalsContact OD1-CG 3.22Å; D161-R163 WeakPolarHBondContact OD1-CG 3.47Å; D161-R163 IonicContact OD1-NE 2.71Å; D161-R163 PolarHBondContact OD1-NE 3.23Å; D161-R163 IonicContact OD2-CZ 3.76Å; D161-R163 IonicContact OD2-NE 2.8Å; D161-R163 PolarHBondContact OD2-NE 3.41Å; D161-R163 IonicContact OD2-NH2 3Å; D161-R163 PolarHBondContact OD2-NH2 3.17Å; D161-L169 CarbonylContact C-O 3.59Å; D161-L169 WeakPolarHBondContact CA-O 3.41Å; D161-L170 HydrophobicContact CB-CD1 3.64Å |
| 162 | L | 92.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 124.2 | 172.3 | 176 | 147.8 | 0 | 0 | 0 | 109.2 | I141 L143 I151 T164 K168 L169 L193 | I141-L162 HydrophobicContact CD1-CD1 3.78Å; I141-L162 HydrophobicContact CG2-CD1 4.44Å; L143-L162 HydrophobicContact CD1-CD1 4.07Å; L143-L162 HydrophobicContact CD1-CD2 4.4Å; L143-L162 HydrophobicContact CD2-CD2 4.08Å; I151-L162 HydrophobicContact CG2-CD1 4.2Å; I151-L162 HydrophobicContact CG2-CG 4.45Å; L162-T164 HydrophobicContact CD2-CG2 3.83Å; L162-K168 WeakPolarHBondContact O-CA 3.31Å; L162-L169 HydrophobicContact CB-CB 4.21Å; L162-L169 HydrophobicContact CD2-CB 4.39Å; L162-L169 PolarHBondContact N-O 3.2Å; L162-L169 PolarHBondContact O-N 3.15Å; L162-L193 HydrophobicContact CD1-CD2 3.26Å |
| 163 | R | 89.4 | Confident | 90.6 | Very high | 106 Ų | 106 | 48.1 Ų | 48.1 | 40% | 0.4 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.2 | 179 | -59.4 | -175.4 | -175.3 | -178.8 | 1.2 | 110 | Q152 D161 | Q152-R163 HydrophobicContact CB-CB 4.4Å; Q152-R163 PolarHBondContact N-O 3.28Å; Q152-R163 PolarHBondContact O-N 2.93Å; D161-R163 VanDerWaalsContact OD1-CG 3.22Å; D161-R163 WeakPolarHBondContact OD1-CG 3.47Å; D161-R163 IonicContact OD1-NE 2.71Å; D161-R163 PolarHBondContact OD1-NE 3.23Å; D161-R163 IonicContact OD2-CZ 3.76Å; D161-R163 IonicContact OD2-NE 2.8Å; D161-R163 PolarHBondContact OD2-NE 3.41Å; D161-R163 IonicContact OD2-NH2 3Å; D161-R163 PolarHBondContact OD2-NH2 3.17Å |
| 164 | T | 89.3 | Confident | 90.5 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | trans | -128.7 | 167.8 | 169 | 70.3 | 0 | 0 | 0 | 0 | 108.8 | R102 L143 T146 I151 L162 Q166 K167 | R102-T164 PolarHBondContact NH1-O 2.71Å; L143-T164 HydrophobicContact CD1-CG2 4.41Å; L143-T164 HydrophobicContact CD2-CG2 4.37Å; T146-T164 HydrophobicContact CG2-CG2 4.02Å; I151-T164 HydrophobicContact CG1-CG2 4.24Å; I151-T164 HydrophobicContact CG2-CG2 4.4Å; L162-T164 HydrophobicContact CD2-CG2 3.83Å; T164-Q166 PolarHBondContact O-N 3.11Å; T164-K167 WeakPolarHBondContact CA-O 3.32Å; T164-K167 PolarHBondContact N-O 3.37Å; T164-K167 WeakPolarHBondContact OG1-CA 3.35Å; T164-K167 WeakPolarHBondContact OG1-CB 3.41Å; T164-K167 PolarHBondContact OG1-N 3.38Å; T164-K167 PolarHBondContact OG1-O 3Å | ||
| 165 | P | 86.3 | Confident | 90.3 | Very high | 94 Ų | 94 | 49.4 Ų | 49.4 | 61% | 0.61 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -60.2 | -30.4 | 177.9 | -25.9 | 35.4 | 0 | 0 | 0 | 113.7 | D150 | D150-P165 HydrophobicContact CB-CG 3.94Š|
| 166 | Q | 85.8 | Confident | 90.2 | Very high | 118 Ų | 118 | 51.4 Ų | 51.4 | 55% | 0.551 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -107.4 | -28.2 | -174.3 | -64.3 | -176.8 | -4 | 0 | 0 | 113.5 | R102 T164 | R102-Q166 WeakPolarHBondContact CB-O 3.43Å; T164-Q166 PolarHBondContact O-N 3.11Å |
| 167 | K | 87.9 | Confident | 90.1 | Very high | 28 Ų | 28 | 47 Ų | 47 | 12% | 0.122 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -132.6 | 145.7 | -171.5 | -60.8 | -169.9 | 180 | 179.4 | 0 | 111.7 | E103 P105 L143 P144 T164 | E103-K167 VanDerWaalsContact O-CA 3.23Å; E103-K167 WeakPolarHBondContact O-CA 3.42Å; E103-K167 VanDerWaalsContact O-CB 3.26Å; E103-K167 WeakPolarHBondContact O-CB 3.21Å; E103-K167 WeakPolarHBondContact O-CG 3.2Å; P105-K167 HydrophobicContact CB-CD 3.9Å; P105-K167 HydrophobicContact CG-CB 4.49Å; L143-K167 HydrophobicContact CD2-CD 4.41Å; P144-K167 VanDerWaalsContact CG-NZ 3.34Å; T164-K167 WeakPolarHBondContact CA-O 3.32Å; T164-K167 PolarHBondContact N-O 3.37Å; T164-K167 WeakPolarHBondContact OG1-CA 3.35Å; T164-K167 WeakPolarHBondContact OG1-CB 3.41Å; T164-K167 PolarHBondContact OG1-N 3.38Å; T164-K167 PolarHBondContact OG1-O 3Å |
| 168 | K | 90.3 | Very high | 90.2 | Very high | 20 Ų | 20 | 47.7 Ų | 47.7 | 9% | 0.087 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.4 | 174.1 | 177.9 | 179.8 | 173.5 | 176.9 | 0 | 108.7 | D97 D100 R102 E103 P105 L162 | D97-K168 IonicContact OD2-NZ 3.15Å; D97-K168 PolarHBondContact OD2-NZ 3.13Å; D100-K168 WeakPolarHBondContact OD2-CD 3.44Å; R102-K168 HydrophobicContact CB-CB 4.12Å; E103-K168 PolarHBondContact O-N 2.88Å; P105-K168 VanDerWaalsContact CD-O 3.29Å; P105-K168 WeakPolarHBondContact CD-O 3.17Å; L162-K168 WeakPolarHBondContact O-CA 3.31Å |
| 169 | L | 90.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 118.5 | 172 | -177.6 | 69.4 | 0 | 0 | 0 | 108.1 | I104 P105 Y107 I141 D161 L162 I171 | I104-L169 HydrophobicContact CG2-CD1 3.62Å; P105-L169 HydrophobicContact CG-CB 3.79Å; P105-L169 HydrophobicContact CG-CD1 4.42Å; P105-L169 HydrophobicContact CG-CD2 4.33Å; P105-L169 HydrophobicContact CG-CG 4.42Å; Y107-L169 HydrophobicContact CD1-CD1 3.49Å; Y107-L169 VanDerWaalsContact CD1-CD1 3.49Å; Y107-L169 HydrophobicContact CD1-CD2 4.22Å; Y107-L169 HydrophobicContact CE1-CD1 3.77Å; Y107-L169 HydrophobicContact CG-CD1 4.16Å; Y107-L169 HydrophobicContact CG-CD2 4.08Å; I141-L169 HydrophobicContact CD1-CD2 3.67Å; I141-L169 HydrophobicContact CG1-CD2 3.82Å; I141-L169 HydrophobicContact CG2-CD2 4.08Å; D161-L169 CarbonylContact C-O 3.59Å; D161-L169 WeakPolarHBondContact CA-O 3.41Å; L162-L169 HydrophobicContact CB-CB 4.21Å; L162-L169 HydrophobicContact CD2-CB 4.39Å; L162-L169 PolarHBondContact N-O 3.2Å; L162-L169 PolarHBondContact O-N 3.15Å; L169-I171 HydrophobicContact CD1-CG2 3.54Å; L169-I171 HydrophobicContact CD2-CD1 4.33Å; L169-I171 HydrophobicContact CD2-CG2 4.49Å; L169-I171 HydrophobicContact CG-CG2 3.87Å |
| 170 | L | 91.1 | Very high | 90 | Very high | 53 Ų | 53 | 50.6 Ų | 50.6 | 28% | 0.277 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 111 | 170.1 | -178.2 | 68.3 | 0 | 0 | 0 | 106.5 | H95 I159 L160 D161 | H95-L170 HydrophobicContact CB-CD2 3.79Å; I159-L170 HydrophobicContact CG2-CD1 3.51Å; I159-L170 HydrophobicContact CG2-CG 4.48Å; L160-L170 WeakPolarHBondContact O-CA 3.47Å; D161-L170 HydrophobicContact CB-CD1 3.64Å |
| 171 | I | 91 | Very high | 89.7 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 145 | -179.4 | 62.2 | 175 | 0 | 0 | 0 | 110.6 | Y107 I109 L160 L169 | Y107-I171 HydrophobicContact CD2-CD1 3.96Å; Y107-I171 HydrophobicContact CE1-CG2 4.11Å; Y107-I171 HydrophobicContact CE2-CD1 4Å; Y107-I171 HydrophobicContact CE2-CG2 4.14Å; I109-I171 HydrophobicContact CD1-CD1 4.05Å; I109-I171 HydrophobicContact CG1-CD1 4.47Å; L160-I171 HydrophobicContact CB-CG1 3.91Å; L160-I171 HydrophobicContact CD2-CD1 4.04Å; L160-I171 HydrophobicContact CD2-CG1 4.19Å; L160-I171 HydrophobicContact CG-CG1 4.41Å; L160-I171 PolarHBondContact N-O 3.09Å; L160-I171 PolarHBondContact O-N 3Å; L169-I171 HydrophobicContact CD1-CG2 3.54Å; L169-I171 HydrophobicContact CD2-CD1 4.33Å; L169-I171 HydrophobicContact CD2-CG2 4.49Å; L169-I171 HydrophobicContact CG-CG2 3.87Å |
| 172 | T | 91.6 | Very high | 89.6 | Confident | 96 Ų | 96 | 52.4 Ų | 52.4 | 59% | 0.589 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 132.8 | 167.6 | 50.1 | 0 | 0 | 0 | 0 | 109.3 | T158 I159 | T158-T172 CarbonylContact O-C 3.55Å; T158-T172 VanDerWaalsContact O-CA 3.3Å; T158-T172 WeakPolarHBondContact O-CA 3.46Å; I159-T172 HydrophobicContact CG1-CG2 4.43Å |
| 173 | L | 91.6 | Very high | 89.6 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 7% | 0.073 | 33% | 0.328 | C | S | . | . | trans | -80.2 | 143.1 | 178.1 | -61.4 | 173.2 | 0 | 0 | 0 | 109.4 | L137 T158 L160 E175 V177 M197 | L137-L173 HydrophobicContact CD2-CD2 3.96Å; T158-L173 PolarHBondContact O-N 3.2Å; L160-L173 HydrophobicContact CB-CD2 4.09Å; L160-L173 HydrophobicContact CB-CG 4.38Å; L173-E175 VanDerWaalsContact C-N 3.26Å; L173-E175 PolarHBondContact O-N 3.47Å; L173-V177 HydrophobicContact CD1-CB 4.43Å; L173-V177 HydrophobicContact CD1-CG1 4.02Å; L173-V177 HydrophobicContact CD1-CG2 3.54Å; L173-M197 HydrophobicContact CD1-SD 3.56Å; L173-M197 VanDerWaalsContact CD1-SD 3.56Å; L173-M197 HydrophobicContact CD2-CE 4.44Å; L173-M197 HydrophobicContact CD2-SD 4.12Å; L173-M197 HydrophobicContact CG-SD 4.5Å | ||
| 174 | P | 89.8 | Confident | 89.8 | Confident | 77 Ų | 77 | 57.5 Ų | 57.5 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -69.8 | -25.4 | -179 | 27.5 | -34.7 | 0 | 0 | 0 | 113.2 | F111 L137 | F111-P174 HydrophobicContact CE1-CG 4.39Å; F111-P174 HydrophobicContact CZ-CB 4.41Å; F111-P174 HydrophobicContact CZ-CG 3.78Å; L137-P174 HydrophobicContact CD1-CG 4.47Å |
| 175 | E | 87.4 | Confident | 90 | Very high | 82 Ų | 82 | 63.8 Ų | 63.8 | 38% | 0.383 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -130.9 | 155.4 | -177.5 | -78.7 | -71.8 | -177.9 | 0 | 0 | 109.9 | F111 L173 M199 | F111-E175 HydrophobicContact CE1-CG 4.47Å; L173-E175 VanDerWaalsContact C-N 3.26Å; L173-E175 PolarHBondContact O-N 3.47Å; E175-M199 HydrophobicContact CB-CG 4.09Å; E175-M199 HydrophobicContact CB-SD 3.83Å; E175-M199 HydrophobicContact CG-SD 3.98Å |
| 176 | L | 89.7 | Confident | 90.3 | Very high | 76 Ų | 76 | 61.2 Ų | 61.2 | 40% | 0.398 | 34% | 0.337 | S | S | . | . | trans | -68.3 | 138 | 174.4 | -68.5 | 167.8 | 0 | 0 | 0 | 110.2 | E157 T158 M199 K200 | E157-L176 HydrophobicContact CB-CD2 4.15Å; E157-L176 WeakPolarHBondContact O-CA 3.43Å; T158-L176 HydrophobicContact CG2-CD2 3.31Å; T158-L176 HydrophobicContact CG2-CG 4.48Å; L176-M199 CarbonylContact O-C 3.51Å; L176-M199 WeakPolarHBondContact O-CA 3.47Å; L176-K200 HydrophobicContact CB-CB 4.36Å; L176-K200 PolarHBondContact O-N 3.07Å | ||
| 177 | V | 91.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 150.8 | -178.9 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | L137 I155 Q156 E157 L173 C179 M197 T198 M199 | L137-V177 HydrophobicContact CD2-CG1 4.25Å; I155-V177 HydrophobicContact CG2-CG2 4.31Å; Q156-V177 WeakPolarHBondContact O-CG2 3.35Å; E157-V177 PolarHBondContact O-N 2.95Å; L173-V177 HydrophobicContact CD1-CB 4.43Å; L173-V177 HydrophobicContact CD1-CG1 4.02Å; L173-V177 HydrophobicContact CD1-CG2 3.54Å; V177-C179 PolarHBondContact O-N 2.75Å; V177-M197 HydrophobicContact CB-CB 4.23Å; V177-M197 HydrophobicContact CB-CG 4.07Å; V177-M197 HydrophobicContact CB-SD 4.01Å; V177-M197 HydrophobicContact CG1-CB 4.44Å; V177-M197 HydrophobicContact CG1-CG 3.76Å; V177-M197 HydrophobicContact CG1-SD 3.64Å; V177-M197 HydrophobicContact CG2-CG 4.45Å; V177-M197 HydrophobicContact CG2-SD 3.83Å; V177-T198 WeakPolarHBondContact CA-O 3.37Å; V177-M199 HydrophobicContact CG1-CG 4.38Å |
| 178 | E | 91.3 | Very high | 90.7 | Very high | 105 Ų | 105 | 59.9 Ų | 59.9 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 105.6 | 174 | -177.9 | 169 | -133.2 | 0 | 0 | 110.4 | A180 S181 T198 | E178-A180 HydrophobicContact CG-CB 4.33Å; E178-A180 PolarHBondContact O-N 2.73Å; E178-A180 VanDerWaalsContact O-N 3.15Å; E178-S181 WeakPolarHBondContact O-CB 3.38Å; E178-S181 PolarHBondContact O-N 3.21Å; E178-S181 PolarHBondContact O-OG 2.71Å; E178-T198 PolarHBondContact N-O 3Å |
| 179 | C | 89.1 | Confident | 90.7 | Very high | 57 Ų | 57 | 66.7 Ų | 66.7 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | -36.3 | -178.6 | -54.9 | 0 | 0 | 0 | 0 | 113.3 | I155 V177 S181 A182 | I155-C179 PolarHBondContact O-SG 3.27Å; V177-C179 PolarHBondContact O-N 2.75Å; C179-S181 VanDerWaalsContact C-N 3.27Å; C179-S181 PolarHBondContact O-N 2.98Å; C179-A182 WeakPolarHBondContact O-CB 3.4Å; C179-A182 PolarHBondContact O-N 3.32Å |
| 180 | A | 89.2 | Confident | 90.7 | Very high | 96 Ų | 96 | 70.6 Ų | 70.6 | 79% | 0.793 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | -23.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E178 A182 | E178-A180 HydrophobicContact CG-CB 4.33Å; E178-A180 PolarHBondContact O-N 2.73Å; E178-A180 VanDerWaalsContact O-N 3.15Å; A180-A182 VanDerWaalsContact C-N 3.35Å |
| 181 | S | 86.9 | Confident | 90.6 | Very high | 26 Ų | 26 | 71.5 Ų | 71.5 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -10.3 | 180 | 75.4 | 0 | 0 | 0 | 0 | 113.3 | E178 C179 T198 | E178-S181 WeakPolarHBondContact O-CB 3.38Å; E178-S181 PolarHBondContact O-N 3.21Å; E178-S181 PolarHBondContact O-OG 2.71Å; C179-S181 VanDerWaalsContact C-N 3.27Å; C179-S181 PolarHBondContact O-N 2.98Å; S181-T198 WeakPolarHBondContact CB-OG1 3.42Å; S181-T198 VanDerWaalsContact OG-CB 3.22Å; S181-T198 WeakPolarHBondContact OG-CB 3.42Å; S181-T198 PolarHBondContact OG-N 2.85Å; S181-T198 PolarHBondContact OG-OG1 3.1Å |
| 182 | A | 90.4 | Very high | 90.7 | Very high | 30 Ų | 30 | 71.6 Ų | 71.6 | 25% | 0.248 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 135.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I155 C179 A180 T196 M197 | I155-A182 HydrophobicContact CD1-CB 3.52Å; I155-A182 HydrophobicContact CG2-CB 4.45Å; C179-A182 WeakPolarHBondContact O-CB 3.4Å; C179-A182 PolarHBondContact O-N 3.32Å; A180-A182 VanDerWaalsContact C-N 3.35Å; A182-T196 CarbonylContact C-O 3.55Å; A182-T196 WeakPolarHBondContact CA-O 3.43Å; A182-M197 HydrophobicContact CB-CB 4.32Å |
| 183 | K | 93 | Very high | 90.8 | Very high | 157 Ų | 157 | 67.2 Ų | 67.2 | 68% | 0.683 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 125.6 | 178.8 | -66.6 | 174.5 | -174 | 168.9 | 0 | 108.9 | I195 T196 | K183-I195 CarbonylContact O-C 3.58Å; K183-I195 WeakPolarHBondContact O-CA 3.49Å; K183-T196 PolarHBondContact N-O 2.81Å; K183-T196 PolarHBondContact O-N 3.26Å |
| 184 | A | 92.9 | Very high | 91 | Very high | 56 Ų | 56 | 68.8 Ų | 68.8 | 46% | 0.463 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 135.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | I153 L193 E194 I195 | I153-A184 HydrophobicContact CD1-CB 3.71Å; A184-L193 HydrophobicContact CB-CD1 4.43Å; A184-E194 CarbonylContact C-O 3.52Å; A184-E194 WeakPolarHBondContact CA-O 3.41Å; A184-I195 HydrophobicContact CB-CG1 4.27Å |
| 185 | F | 92.6 | Very high | 91.2 | Very high | 136 Ų | 136 | 65.1 Ų | 65.1 | 60% | 0.596 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 125.4 | 176.6 | -172.9 | -104.9 | 0 | 0 | 0 | 109.9 | I187 E194 | F185-I187 HydrophobicContact CD1-CD1 4.45Å; F185-I187 HydrophobicContact CD1-CG1 3.59Å; F185-I187 HydrophobicContact CE1-CG1 3.69Å; F185-E194 PolarHBondContact N-O 3.28Å; F185-E194 PolarHBondContact O-N 3.38Å |
| 186 | Y | 93.1 | Very high | 91.6 | Very high | 41 Ų | 41 | 62 Ų | 62 | 16% | 0.161 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 122.5 | 175.4 | -177.3 | -103.1 | 0 | 0 | 0 | 109.9 | T146 P148 I151 P188 L193 | T146-Y186 PolarHBondContact O-OH 2.96Å; P148-Y186 HydrophobicContact CB-CD1 3.79Å; P148-Y186 HydrophobicContact CB-CE1 4.34Å; P148-Y186 HydrophobicContact CB-CG 4.04Å; P148-Y186 HydrophobicContact CG-CD1 4.16Å; P148-Y186 HydrophobicContact CG-CE1 4.41Å; I151-Y186 HydrophobicContact CD1-CD2 3.93Å; I151-Y186 HydrophobicContact CD1-CE2 4.24Å; Y186-P188 HydrophobicContact CE1-CB 4.23Å; Y186-P188 WeakPolarHBondContact O-CD 3.48Å; Y186-L193 HydrophobicContact CD2-CB 4.32Å; Y186-L193 HydrophobicContact CD2-CD1 4.41Å |
| 187 | I | 93.1 | Very high | 91.8 | Very high | 35 Ų | 35 | 58.4 Ų | 58.4 | 18% | 0.179 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 105.1 | 179 | -55.6 | 170.1 | 0 | 0 | 0 | 107.7 | F185 E189 T190 E191 T192 | F185-I187 HydrophobicContact CD1-CD1 4.45Å; F185-I187 HydrophobicContact CD1-CG1 3.59Å; F185-I187 HydrophobicContact CE1-CG1 3.69Å; I187-E189 VanDerWaalsContact C-N 3.3Å; I187-E189 HydrophobicContact CG2-CB 4.48Å; I187-E189 WeakPolarHBondContact CG2-OE2 3.5Å; I187-E189 PolarHBondContact O-N 2.97Å; I187-T190 HydrophobicContact CG2-CG2 4.46Å; I187-T190 WeakPolarHBondContact CG2-OG1 2.76Å; I187-E191 WeakPolarHBondContact O-CA 3.47Å; I187-E191 PolarHBondContact O-N 3.08Å; I187-T192 PolarHBondContact N-O 3.02Å; I187-T192 PolarHBondContact O-N 3.28Å |
| 188 | P | 89.1 | Confident | 91.8 | Very high | 83 Ų | 83 | 60.7 Ų | 60.7 | 54% | 0.539 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -24.8 | -177.4 | 29.6 | -35.1 | 0 | 0 | 0 | 112.7 | Y186 T190 | Y186-P188 HydrophobicContact CE1-CB 4.23Å; Y186-P188 WeakPolarHBondContact O-CD 3.48Å; P188-T190 VanDerWaalsContact C-N 3.34Å; P188-T190 PolarHBondContact O-N 3.43Å |
| 189 | E | 90.4 | Very high | 91.8 | Very high | 162 Ų | 162 | 56 Ų | 56 | 76% | 0.757 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -33.2 | 179.6 | -59.3 | 94.9 | 171.4 | 0 | 0 | 112.9 | I187 | I187-E189 VanDerWaalsContact C-N 3.3Å; I187-E189 HydrophobicContact CG2-CB 4.48Å; I187-E189 WeakPolarHBondContact CG2-OE2 3.5Å; I187-E189 PolarHBondContact O-N 2.97Å |
| 190 | T | 89.7 | Confident | 91.7 | Very high | 85 Ų | 85 | 58.7 Ų | 58.7 | 52% | 0.521 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 4 | -179.2 | 61.4 | 0 | 0 | 0 | 0 | 112.7 | I187 P188 T192 | I187-T190 HydrophobicContact CG2-CG2 4.46Å; I187-T190 WeakPolarHBondContact CG2-OG1 2.76Å; P188-T190 VanDerWaalsContact C-N 3.34Å; P188-T190 PolarHBondContact O-N 3.43Å; T190-T192 PolarHBondContact O-N 3.48Å; T190-T192 VanDerWaalsContact O-N 3.1Å; T190-T192 PolarHBondContact O-OG1 2.93Å; T190-T192 WeakPolarHBondContact OG1-CB 2.95Å; T190-T192 PolarHBondContact OG1-OG1 3.33Å |
| 191 | E | 90.3 | Very high | 91.2 | Very high | 72 Ų | 72 | 56.4 Ų | 56.4 | 34% | 0.336 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.6 | 41.9 | -173.2 | -57.8 | -173.9 | 126.5 | 0 | 0 | 112 | L143 P144 N145 I187 | L143-E191 CarbonylContact C-O 3.46Å; L143-E191 PolarHBondContact N-O 3.44Å; P144-E191 VanDerWaalsContact CA-OE2 3.23Å; P144-E191 WeakPolarHBondContact CA-OE2 3.22Å; P144-E191 WeakPolarHBondContact CB-OE2 3.49Å; N145-E191 PolarHBondContact N-OE1 2.99Å; I187-E191 WeakPolarHBondContact O-CA 3.47Å; I187-E191 PolarHBondContact O-N 3.08Å |
| 192 | T | 92.6 | Very high | 90.2 | Very high | 17 Ų | 17 | 62.7 Ų | 62.7 | 10% | 0.104 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.2 | -173.8 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | K140 I141 I187 T190 | K140-T192 HydrophobicContact CB-CG2 4.14Å; I141-T192 WeakPolarHBondContact O-CA 3.4Å; I187-T192 PolarHBondContact N-O 3.02Å; I187-T192 PolarHBondContact O-N 3.28Å; T190-T192 PolarHBondContact O-N 3.48Å; T190-T192 VanDerWaalsContact O-N 3.1Å; T190-T192 PolarHBondContact O-OG1 2.93Å; T190-T192 WeakPolarHBondContact OG1-CB 2.95Å; T190-T192 PolarHBondContact OG1-OG1 3.33Å |
| 193 | L | 94.1 | Very high | 88.7 | Confident | 5 Ų | 5 | 67.3 Ų | 67.3 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.4 | 170 | -178.2 | 73.1 | 0 | 0 | 0 | 109.4 | K140 I141 L143 I151 I153 L162 A184 Y186 I195 | K140-L193 CarbonylContact C-O 3.59Å; K140-L193 WeakPolarHBondContact CA-O 3.5Å; I141-L193 PolarHBondContact N-O 2.79Å; I141-L193 PolarHBondContact O-N 3.11Å; L143-L193 HydrophobicContact CD1-CB 3.94Å; L143-L193 HydrophobicContact CD1-CD2 4.19Å; I151-L193 HydrophobicContact CG2-CD2 4.1Å; I153-L193 HydrophobicContact CD1-CD1 4.25Å; I153-L193 HydrophobicContact CD1-CD2 3.69Å; I153-L193 HydrophobicContact CD1-CG 4.49Å; I153-L193 HydrophobicContact CG1-CD2 4.29Å; L162-L193 HydrophobicContact CD1-CD2 3.26Å; A184-L193 HydrophobicContact CB-CD1 4.43Å; Y186-L193 HydrophobicContact CD2-CB 4.32Å; Y186-L193 HydrophobicContact CD2-CD1 4.41Å; L193-I195 HydrophobicContact CD2-CD1 3.89Å; L193-I195 HydrophobicContact CD2-CG1 4.04Å; L193-I195 HydrophobicContact CG-CD1 4.41Å; L193-I195 HydrophobicContact CG-CG1 4.03Å |
| 194 | E | 94.8 | Very high | 86.9 | Confident | 46 Ų | 46 | 61.4 Ų | 61.4 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.8 | 174.3 | -171.9 | 172.1 | 138 | 0 | 0 | 109.7 | V138 A139 K140 A184 F185 | V138-E194 HydrophobicContact CG1-CG 3.43Å; V138-E194 VanDerWaalsContact CG1-CG 3.43Å; A139-E194 WeakPolarHBondContact O-CA 3.43Å; K140-E194 HydrophobicContact CG-CG 4.34Å; A184-E194 CarbonylContact C-O 3.52Å; A184-E194 WeakPolarHBondContact CA-O 3.41Å; F185-E194 PolarHBondContact N-O 3.28Å; F185-E194 PolarHBondContact O-N 3.38Å |
| 195 | I | 94.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 110.5 | 178.7 | -52 | 172.1 | 0 | 0 | 0 | 107.6 | V138 A139 I141 I153 I155 L160 K183 A184 L193 M197 | V138-I195 CarbonylContact C-O 3.58Å; V138-I195 VanDerWaalsContact CA-O 3.28Å; V138-I195 WeakPolarHBondContact CA-O 3.3Å; A139-I195 HydrophobicContact CB-CB 4.37Å; A139-I195 PolarHBondContact N-O 2.89Å; A139-I195 PolarHBondContact O-N 3.08Å; I141-I195 HydrophobicContact CD1-CD1 3.88Å; I153-I195 HydrophobicContact CD1-CD1 4.31Å; I153-I195 HydrophobicContact CG2-CD1 4.01Å; I155-I195 HydrophobicContact CD1-CG2 3.71Å; L160-I195 HydrophobicContact CD1-CD1 3.9Å; L160-I195 HydrophobicContact CD2-CD1 4.14Å; K183-I195 CarbonylContact O-C 3.58Å; K183-I195 WeakPolarHBondContact O-CA 3.49Å; A184-I195 HydrophobicContact CB-CG1 4.27Å; L193-I195 HydrophobicContact CD2-CD1 3.89Å; L193-I195 HydrophobicContact CD2-CG1 4.04Å; L193-I195 HydrophobicContact CG-CD1 4.41Å; L193-I195 HydrophobicContact CG-CG1 4.03Å; I195-M197 HydrophobicContact CB-CE 4.3Å; I195-M197 HydrophobicContact CG2-CE 3.65Å |
| 196 | T | 94.8 | Very high | 83.2 | Confident | 17 Ų | 17 | 61.6 Ų | 61.6 | 10% | 0.104 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 129.2 | 174 | -56.5 | 0 | 0 | 0 | 0 | 109.3 | E136 L137 V138 A182 K183 | E136-T196 HydrophobicContact CB-CG2 4.34Å; L137-T196 CarbonylContact O-C 3.56Å; L137-T196 WeakPolarHBondContact O-CA 3.33Å; V138-T196 HydrophobicContact CG2-CG2 4.26Å; A182-T196 CarbonylContact C-O 3.55Å; A182-T196 WeakPolarHBondContact CA-O 3.43Å; K183-T196 PolarHBondContact N-O 2.81Å; K183-T196 PolarHBondContact O-N 3.26Å |
| 197 | M | 93.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 140.2 | 178.6 | 58.8 | -167.3 | 78.9 | 0 | 0 | 109.9 | E136 L137 A139 L173 V177 A182 I195 | E136-M197 CarbonylContact C-O 3.36Å; E136-M197 WeakPolarHBondContact CA-O 3.34Å; L137-M197 HydrophobicContact CB-CG 3.73Å; L137-M197 HydrophobicContact CB-SD 4.45Å; L137-M197 HydrophobicContact CD2-CG 4.26Å; L137-M197 HydrophobicContact CD2-SD 3.88Å; L137-M197 HydrophobicContact CG-CG 4.42Å; L137-M197 PolarHBondContact N-O 2.8Å; L137-M197 WeakPolarHBondContact O-CG 3.48Å; L137-M197 PolarHBondContact O-N 2.81Å; A139-M197 HydrophobicContact CB-CE 4.48Å; L173-M197 HydrophobicContact CD1-SD 3.56Å; L173-M197 VanDerWaalsContact CD1-SD 3.56Å; L173-M197 HydrophobicContact CD2-CE 4.44Å; L173-M197 HydrophobicContact CD2-SD 4.12Å; L173-M197 HydrophobicContact CG-SD 4.5Å; V177-M197 HydrophobicContact CB-CB 4.23Å; V177-M197 HydrophobicContact CB-CG 4.07Å; V177-M197 HydrophobicContact CB-SD 4.01Å; V177-M197 HydrophobicContact CG1-CB 4.44Å; V177-M197 HydrophobicContact CG1-CG 3.76Å; V177-M197 HydrophobicContact CG1-SD 3.64Å; V177-M197 HydrophobicContact CG2-CG 4.45Å; V177-M197 HydrophobicContact CG2-SD 3.83Å; A182-M197 HydrophobicContact CB-CB 4.32Å; I195-M197 HydrophobicContact CB-CE 4.3Å; I195-M197 HydrophobicContact CG2-CE 3.65Å |
| 198 | T | 92.5 | Very high | 79.3 | Confident | 49 Ų | 49 | 68.7 Ų | 68.7 | 30% | 0.301 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 133.4 | 177.2 | -54.7 | 0 | 0 | 0 | 0 | 109.6 | V177 E178 S181 | V177-T198 WeakPolarHBondContact CA-O 3.37Å; E178-T198 PolarHBondContact N-O 3Å; S181-T198 WeakPolarHBondContact CB-OG1 3.42Å; S181-T198 VanDerWaalsContact OG-CB 3.22Å; S181-T198 WeakPolarHBondContact OG-CB 3.42Å; S181-T198 PolarHBondContact OG-N 2.85Å; S181-T198 PolarHBondContact OG-OG1 3.1Å |
| 199 | M | 90.8 | Very high | 77.1 | Confident | 7 Ų | 7 | 75.2 Ų | 75.2 | 3% | 0.034 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 139.7 | 176.5 | -72.6 | 177.2 | -91.5 | 0 | 0 | 110.8 | F111 C134 S135 E136 L137 E175 L176 V177 R201 | F111-M199 HydrophobicContact CD1-CE 3.67Å; F111-M199 HydrophobicContact CD1-SD 3.9Å; F111-M199 HydrophobicContact CE1-CE 4.28Å; F111-M199 HydrophobicContact CE1-SD 3.88Å; C134-M199 HydrophobicContact CB-CE 4.07Å; C134-M199 WeakPolarHBondContact O-CE 3.44Å; S135-M199 PolarHBondContact O-N 3.08Å; E136-M199 WeakPolarHBondContact O-CE 3.1Å; L137-M199 HydrophobicContact CB-CE 4.2Å; L137-M199 HydrophobicContact CB-CG 4.09Å; L137-M199 HydrophobicContact CB-SD 4.34Å; L137-M199 HydrophobicContact CD1-SD 4.5Å; E175-M199 HydrophobicContact CB-CG 4.09Å; E175-M199 HydrophobicContact CB-SD 3.83Å; E175-M199 HydrophobicContact CG-SD 3.98Å; L176-M199 CarbonylContact O-C 3.51Å; L176-M199 WeakPolarHBondContact O-CA 3.47Å; V177-M199 HydrophobicContact CG1-CG 4.38Å; M199-R201 PolarHBondContact SD-NH2 3.06Å |
| 200 | K | 87 | Confident | 76.4 | Confident | 113 Ų | 113 | 70.9 Ų | 70.9 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | trans | -99.7 | 104.5 | 178.5 | -175.6 | -178.9 | 177.1 | -175.4 | 0 | 108.8 | E157 L176 | E157-K200 IonicContact OE1-NZ 2.75Å; E157-K200 PolarHBondContact OE1-NZ 3.28Å; L176-K200 HydrophobicContact CB-CB 4.36Å; L176-K200 PolarHBondContact O-N 3.07Å | ||
| 201 | R | 78.6 | Confident | 75.7 | Confident | 48 Ų | 48 | 70.2 Ų | 70.2 | 18% | 0.181 | 36% | 0.355 | C | S | . | . | trans | -113.6 | 128.6 | 175.9 | -60.3 | -168.2 | -173.1 | 94.3 | -2 | 110.9 | T131 C134 M199 L203 D204 | T131-R201 PolarHBondContact O-NH2 2.86Å; C134-R201 PolarHBondContact O-NH1 2.97Å; C134-R201 PolarHBondContact O-NH2 2.93Å; M199-R201 PolarHBondContact SD-NH2 3.06Å; R201-L203 PolarHBondContact O-N 3.17Å; R201-D204 HydrophobicContact CB-CB 4.19Å; R201-D204 IonicContact NH1-OD2 2.72Å; R201-D204 PolarHBondContact O-N 3.21Å | ||
| 202 | D | 65.7 | Low | 74.9 | Confident | 157 Ų | 157 | 70.1 Ų | 70.1 | 84% | 0.84 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -28.3 | 178.3 | -158.3 | -101.6 | 0 | 0 | 0 | 112.2 | ||
| 203 | L | 58.6 | Low | 73.9 | Confident | 127 Ų | 127 | 73.2 Ų | 73.2 | 67% | 0.665 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 5.9 | -173.7 | -60.3 | 178 | 0 | 0 | 0 | 114.8 | R201 I205 A206 | R201-L203 PolarHBondContact O-N 3.17Å; L203-I205 PolarHBondContact O-N 3.04Å; L203-I205 VanDerWaalsContact O-N 3.07Å; L203-A206 WeakPolarHBondContact O-CB 3.48Å; L203-A206 PolarHBondContact O-N 3.25Å |
| 204 | D | 56 | Low | 72.6 | Confident | 34 Ų | 34 | 77.4 Ų | 77.4 | 18% | 0.182 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.5 | -26.5 | -173.8 | -113.6 | -12.7 | 0 | 0 | 0 | 112.2 | R201 A206 N207 F208 | R201-D204 HydrophobicContact CB-CB 4.19Å; R201-D204 IonicContact NH1-OD2 2.72Å; R201-D204 PolarHBondContact O-N 3.21Å; D204-A206 PolarHBondContact O-N 3.29Å; D204-N207 PolarHBondContact O-N 3.42Å; D204-N207 VanDerWaalsContact O-N 3.09Å; D204-F208 HydrophobicContact CB-CE2 4.14Å; D204-F208 WeakPolarHBondContact O-CD2 3.47Å; D204-F208 WeakPolarHBondContact O-CE2 3.38Å |
| 205 | I | 53.6 | Low | 71.1 | Confident | 124 Ų | 124 | 79.5 Ų | 79.5 | 64% | 0.636 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -56.5 | -35.1 | 174.8 | -46 | 173.1 | 0 | 0 | 0 | 111.6 | L203 F209 | L203-I205 PolarHBondContact O-N 3.04Å; L203-I205 VanDerWaalsContact O-N 3.07Å; I205-F209 HydrophobicContact CG2-CE2 3.82Å; I205-F209 WeakPolarHBondContact O-CD2 3.3Å; I205-F209 WeakPolarHBondContact O-CE2 3.32Å |
| 206 | A | 53.4 | Low | 69.4 | Low | 72 Ų | 72 | 85.2 Ų | 85.2 | 60% | 0.595 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -78 | -19.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L203 D204 | L203-A206 WeakPolarHBondContact O-CB 3.48Å; L203-A206 PolarHBondContact O-N 3.25Å; D204-A206 PolarHBondContact O-N 3.29Å |
| 207 | N | 51.8 | Low | 67.5 | Low | 91 Ų | 91 | 90.5 Ų | 90.5 | 49% | 0.487 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -84.9 | -10.6 | 178.7 | -67.3 | -33 | 0 | 0 | 0 | 113.1 | D204 | D204-N207 PolarHBondContact O-N 3.42Å; D204-N207 VanDerWaalsContact O-N 3.09Å |
| 208 | F | 52 | Low | 65.3 | Low | 134 Ų | 134 | 98 Ų | 98 | 59% | 0.588 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 0.5 | -179.7 | -67.8 | -71.7 | 0 | 0 | 0 | 114.5 | D204 | D204-F208 HydrophobicContact CB-CE2 4.14Å; D204-F208 WeakPolarHBondContact O-CD2 3.47Å; D204-F208 WeakPolarHBondContact O-CE2 3.38Å |
| 209 | F | 43.4 | Very low | 62.8 | Low | 220 Ų | 220 | 102.5 Ų | 102.5 | 97% | 0.965 | 52% | 0.515 | S | S | * | . | trans | -113.8 | 0 | -179.9 | -67.9 | -71.8 | 0 | 0 | 0 | 114.1 | I205 | I205-F209 HydrophobicContact CG2-CE2 3.82Å; I205-F209 WeakPolarHBondContact O-CD2 3.3Å; I205-F209 WeakPolarHBondContact O-CE2 3.32Å |
Retrieved 209 of 209 residues in 241.6 ms
(Link to these results)