| 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 | 44.3 | Very low | 46.8 | Very low | 240 Ų | 240 | 152.2 Ų | 152.2 | 100% | 1.182 | 83% | 0.833 | S | S | * | * | 0 | 110.5 | 0 | -63.7 | -130.5 | -59.2 | 0 | 0 | 106.2 | |||||
| 2 | T | 48.1 | Very low | 46.2 | Very low | 139 Ų | 139 | 153.3 Ų | 153.3 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | -117.9 | 102.8 | -155.5 | -49.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3 | E | 46.6 | Very low | 46 | Very low | 194 Ų | 194 | 151.2 Ų | 151.2 | 91% | 0.907 | 84% | 0.838 | S | S | * | * | trans | -140.2 | 100.8 | 168.4 | -69.2 | -167.6 | 153.3 | 0 | 0 | 109.4 | ||||
| 4 | G | 46.8 | Very low | 46 | Very low | 71 Ų | 71 | 149.1 Ų | 149.1 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 127.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110 | Q6 | G4-Q6 PolarHBondContact O-N 3.41Š|
| 5 | S | 51.4 | Low | 45.6 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 121.4 | 170.6 | -79.4 | 0 | 0 | 0 | 0 | 109.9 | I7 | S5-I7 PolarHBondContact O-N 3.32Š|
| 6 | Q | 54.5 | Low | 44.7 | Very low | 161 Ų | 161 | 148.3 Ų | 148.3 | 75% | 0.752 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 122.8 | -178.2 | -65.2 | 178 | 23.6 | 0 | 0 | 110.5 | G4 | G4-Q6 PolarHBondContact O-N 3.41Š|
| 7 | I | 48.6 | Very low | 44.4 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 74% | 0.744 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 117.6 | 170.1 | -64.5 | 164.6 | 0 | 0 | 0 | 107.3 | S5 L9 | S5-I7 PolarHBondContact O-N 3.32Å; I7-L9 HydrophobicContact CG2-CD1 4.11Å; I7-L9 HydrophobicContact CG2-CG 3.94Å; I7-L9 PolarHBondContact O-N 3.23Å |
| 8 | F | 42.8 | Very low | 43.9 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | -84.5 | 103.6 | 169.2 | -77.8 | -87.4 | 0 | 0 | 0 | 109.5 | ||||
| 9 | L | 47.6 | Very low | 43.7 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -107.3 | 122.3 | 166.2 | -82.5 | 162.6 | 0 | 0 | 0 | 108.6 | I7 | I7-L9 HydrophobicContact CG2-CD1 4.11Å; I7-L9 HydrophobicContact CG2-CG 3.94Å; I7-L9 PolarHBondContact O-N 3.23Å | ||
| 10 | L | 40.9 | Very low | 43.4 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | -150.9 | 154.7 | 165.7 | -74.1 | 176.9 | 0 | 0 | 0 | 109.5 | ||||
| 11 | P | 43.8 | Very low | 43.9 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | -112.1 | 141.4 | -60.2 | 20.2 | -2.1 | 0 | 0 | 0 | 110.3 | S13 | P11-S13 PolarHBondContact O-N 3.14Š| |||
| 12 | I | 38.8 | Very low | 43.4 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -66.1 | 112.3 | 164.6 | 12.8 | 173 | 0 | 0 | 0 | 108.2 | T14 | I12-T14 PolarHBondContact O-N 2.94Å; I12-T14 VanDerWaalsContact O-N 3.16Å | ||
| 13 | S | 44.1 | Very low | 43.2 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | trans | -68.4 | 107.6 | 163.3 | -86 | 0 | 0 | 0 | 0 | 108.6 | P11 | P11-S13 PolarHBondContact O-N 3.14Š| ||
| 14 | T | 45.8 | Very low | 43 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -78.8 | 127.4 | 160.2 | 48.2 | 0 | 0 | 0 | 0 | 108.7 | I12 | I12-T14 PolarHBondContact O-N 2.94Å; I12-T14 VanDerWaalsContact O-N 3.16Å | ||
| 15 | S | 39.7 | Very low | 43.1 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -146.8 | 127.8 | 144.6 | -82.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 16 | D | 32.2 | Very low | 42.7 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -89.2 | 144.3 | -157.1 | -170.3 | 18.9 | 0 | 0 | 0 | 111.5 | ||||
| 17 | S | 38.2 | Very low | 42.4 | Very low | 90 Ų | 90 | 133.8 Ų | 133.8 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | 41.1 | 124.8 | 147.4 | -167 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 18 | T | 35.6 | Very low | 42.3 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | -173.7 | 115.3 | 100.6 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 19 | K | 40.4 | Very low | 42.9 | Very low | 190 Ų | 190 | 132.2 Ų | 132.2 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | 57.6 | 138.5 | 152 | -64.8 | 171.2 | -174.5 | 176.3 | 0 | 118.8 | ||||
| 20 | E | 37.4 | Very low | 43.4 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | cis | -171.8 | 169.3 | -6.9 | -114 | -103.8 | 129.4 | 0 | 0 | 103.6 | ||||
| 21 | P | 54 | Low | 45 | Very low | 91 Ų | 91 | 127.6 Ų | 127.6 | 59% | 0.591 | 75% | 0.749 | S | S | * | * | trans | -82.5 | 146.1 | -152.9 | 34.9 | -34.3 | 0 | 0 | 0 | 112.4 | ||||
| 22 | L | 33.9 | Very low | 46.4 | Very low | 156 Ų | 156 | 127 Ų | 127 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | -170.2 | 112 | 128.7 | -123.3 | 94.5 | 0 | 0 | 0 | 107.2 | |||||
| 23 | S | 44.3 | Very low | 48.4 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | -64.5 | 145 | 145.8 | -66.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 24 | P | 41.6 | Very low | 50.3 | Low | 104 Ų | 104 | 121.2 Ų | 121.2 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | -132.2 | 131.2 | 106.3 | 28.8 | -15 | 0 | 0 | 0 | 111.7 | A26 | P24-A26 PolarHBondContact O-N 2.96Å; P24-A26 VanDerWaalsContact O-N 3.14Å | |||
| 25 | V | 49.3 | Very low | 52.1 | Low | 145 Ų | 145 | 118.7 Ų | 118.7 | 88% | 0.879 | 69% | 0.692 | S | S | * | * | trans | -18.6 | 108.1 | 136.8 | 169.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 26 | A | 42.8 | Very low | 54.4 | Low | 86 Ų | 86 | 116 Ų | 116 | 71% | 0.711 | 67% | 0.673 | S | S | * | * | trans | 160.7 | 125.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107 | P24 | P24-A26 PolarHBondContact O-N 2.96Å; P24-A26 VanDerWaalsContact O-N 3.14Å | ||
| 27 | S | 48.1 | Very low | 57.2 | Low | 106 Ų | 106 | 112.7 Ų | 112.7 | 74% | 0.741 | 66% | 0.656 | S | S | * | * | cis | -154.6 | 112.7 | 7 | -64.2 | 0 | 0 | 0 | 0 | 104.6 | A29 | S27-A29 PolarHBondContact O-N 3.36Š| ||
| 28 | K | 47.5 | Very low | 59.7 | Low | 207 Ų | 207 | 116.2 Ų | 116.2 | 90% | 0.9 | 66% | 0.655 | S | S | * | * | trans | -77.4 | 71.9 | 160.4 | -145.7 | 176.4 | -168.9 | 178.3 | 0 | 105.6 | Q30 | K28-Q30 PolarHBondContact O-N 3.48Š| ||
| 29 | A | 55.2 | Low | 62.2 | Low | 86 Ų | 86 | 116.4 Ų | 116.4 | 71% | 0.711 | 65% | 0.651 | S | S | * | * | trans | -58.3 | 100 | 161.7 | 0 | 0 | 0 | 0 | 0 | 104.2 | S27 D31 | S27-A29 PolarHBondContact O-N 3.36Å; A29-D31 PolarHBondContact O-N 3.35Å | ||
| 30 | Q | 58.7 | Low | 64.5 | Low | 129 Ų | 129 | 112.7 Ų | 112.7 | 60% | 0.603 | 64% | 0.638 | S | S | * | * | trans | -56.5 | 113.1 | 173.2 | -72.6 | -177.3 | -39.2 | 0 | 0 | 105.3 | K28 P32 L35 | K28-Q30 PolarHBondContact O-N 3.48Å; Q30-P32 VanDerWaalsContact O-CD 3.25Å; Q30-P32 WeakPolarHBondContact O-CD 3.34Å; Q30-L35 HydrophobicContact CB-CD1 3.6Å; Q30-L35 HydrophobicContact CB-CD2 4.18Å; Q30-L35 HydrophobicContact CB-CG 3.84Å; Q30-L35 HydrophobicContact CG-CD1 4.49Å | ||
| 31 | D | 72.9 | Confident | 67.1 | Low | 84 Ų | 84 | 109.7 Ų | 109.7 | 45% | 0.449 | 63% | 0.626 | S | S | . | * | trans | -51.6 | 115.8 | -179.2 | -168.8 | -30.6 | 0 | 0 | 0 | 107.6 | A29 S33 L34 L35 | A29-D31 PolarHBondContact O-N 3.35Å; D31-S33 PolarHBondContact O-N 3.4Å; D31-S33 WeakPolarHBondContact OD1-CB 3.46Å; D31-S33 PolarHBondContact OD1-N 2.96Å; D31-S33 PolarHBondContact OD1-OG 3Å; D31-S33 PolarHBondContact OD2-OG 3.43Å; D31-L34 HydrophobicContact CB-CB 4.28Å; D31-L34 HydrophobicContact CB-CD1 3.95Å; D31-L34 HydrophobicContact CB-CG 3.94Å; D31-L34 PolarHBondContact O-N 3.26Å; D31-L35 PolarHBondContact O-N 2.99Å | ||
| 32 | P | 74.7 | Confident | 68.8 | Low | 100 Ų | 100 | 108.9 Ų | 108.9 | 65% | 0.649 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -55.5 | -28.6 | -174.4 | -25.5 | 33.1 | 0 | 0 | 0 | 112.1 | Q30 S36 | Q30-P32 VanDerWaalsContact O-CD 3.25Å; Q30-P32 WeakPolarHBondContact O-CD 3.34Å; P32-S36 VanDerWaalsContact O-CB 3.24Å; P32-S36 WeakPolarHBondContact O-CB 3.28Å; P32-S36 PolarHBondContact O-N 3.08Å |
| 33 | S | 79.3 | Confident | 71.4 | Confident | 57 Ų | 57 | 106.2 Ų | 106.2 | 40% | 0.399 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.3 | -41.5 | 175.1 | 68.8 | 0 | 0 | 0 | 0 | 112.5 | D31 S36 N37 | D31-S33 PolarHBondContact O-N 3.4Å; D31-S33 WeakPolarHBondContact OD1-CB 3.46Å; D31-S33 PolarHBondContact OD1-N 2.96Å; D31-S33 PolarHBondContact OD1-OG 3Å; D31-S33 PolarHBondContact OD2-OG 3.43Å; S33-S36 PolarHBondContact O-N 2.94Å; S33-N37 WeakPolarHBondContact O-CB 3.23Å; S33-N37 PolarHBondContact O-N 3.09Å; S33-N37 PolarHBondContact O-ND2 3.26Å |
| 34 | L | 84 | Confident | 73.6 | Confident | 112 Ų | 112 | 105.9 Ų | 105.9 | 59% | 0.586 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.7 | -38 | 178.7 | -65.9 | -179.4 | 0 | 0 | 0 | 112.1 | D31 R38 | D31-L34 HydrophobicContact CB-CB 4.28Å; D31-L34 HydrophobicContact CB-CD1 3.95Å; D31-L34 HydrophobicContact CB-CG 3.94Å; D31-L34 PolarHBondContact O-N 3.26Å; L34-R38 WeakPolarHBondContact O-CB 3.43Å; L34-R38 PolarHBondContact O-N 2.94Å |
| 35 | L | 85.1 | Confident | 76 | Confident | 70 Ų | 70 | 106 Ų | 106 | 37% | 0.366 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66 | -43 | 174 | -71.3 | -177.8 | 0 | 0 | 0 | 111.8 | Q30 D31 R38 L39 | Q30-L35 HydrophobicContact CB-CD1 3.6Å; Q30-L35 HydrophobicContact CB-CD2 4.18Å; Q30-L35 HydrophobicContact CB-CG 3.84Å; Q30-L35 HydrophobicContact CG-CD1 4.49Å; D31-L35 PolarHBondContact O-N 2.99Å; L35-R38 PolarHBondContact O-N 3.3Å; L35-L39 WeakPolarHBondContact O-CB 3.29Å; L35-L39 PolarHBondContact O-N 3.31Å |
| 36 | S | 87.6 | Confident | 77.9 | Confident | 72 Ų | 72 | 101.6 Ų | 101.6 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 176.3 | -172.1 | 0 | 0 | 0 | 0 | 111.4 | P32 S33 R38 L39 M40 | P32-S36 VanDerWaalsContact O-CB 3.24Å; P32-S36 WeakPolarHBondContact O-CB 3.28Å; P32-S36 PolarHBondContact O-N 3.08Å; S33-S36 PolarHBondContact O-N 2.94Å; S36-R38 VanDerWaalsContact C-N 3.35Å; S36-R38 PolarHBondContact O-N 3.35Å; S36-L39 PolarHBondContact O-N 3.43Å; S36-M40 WeakPolarHBondContact O-CB 3.4Å; S36-M40 PolarHBondContact O-N 2.93Å |
| 37 | N | 91 | Very high | 80.1 | Confident | 87 Ų | 87 | 100.1 Ų | 100.1 | 47% | 0.465 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 176.3 | -71.3 | -21.2 | 0 | 0 | 0 | 111.9 | S33 M40 I41 | S33-N37 WeakPolarHBondContact O-CB 3.23Å; S33-N37 PolarHBondContact O-N 3.09Å; S33-N37 PolarHBondContact O-ND2 3.26Å; N37-M40 PolarHBondContact O-N 3.49Å; N37-I41 VanDerWaalsContact O-CG1 3.31Å; N37-I41 WeakPolarHBondContact O-CG1 3.48Å; N37-I41 PolarHBondContact O-N 3.06Å |
| 38 | R | 90.3 | Very high | 82.2 | Confident | 163 Ų | 163 | 97.8 Ų | 97.8 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.2 | -48.2 | 175.5 | 177.7 | -179.2 | -69 | -94.2 | -1.8 | 111.4 | L34 L35 S36 M40 I41 E42 | L34-R38 WeakPolarHBondContact O-CB 3.43Å; L34-R38 PolarHBondContact O-N 2.94Å; L35-R38 PolarHBondContact O-N 3.3Å; S36-R38 VanDerWaalsContact C-N 3.35Å; S36-R38 PolarHBondContact O-N 3.35Å; R38-M40 VanDerWaalsContact C-N 3.28Å; R38-M40 PolarHBondContact O-N 2.92Å; R38-I41 PolarHBondContact O-N 2.9Å; R38-E42 WeakPolarHBondContact O-CG 3.3Å; R38-E42 PolarHBondContact O-N 2.81Å |
| 39 | L | 88.4 | Confident | 84.4 | Confident | 115 Ų | 115 | 91.1 Ų | 91.1 | 60% | 0.602 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.6 | -39 | 179.4 | -176.8 | 65.7 | 0 | 0 | 0 | 111.6 | L35 S36 E42 K43 | L35-L39 WeakPolarHBondContact O-CB 3.29Å; L35-L39 PolarHBondContact O-N 3.31Å; S36-L39 PolarHBondContact O-N 3.43Å; L39-E42 PolarHBondContact O-N 3.45Å; L39-K43 WeakPolarHBondContact O-CB 3.47Å; L39-K43 PolarHBondContact O-N 3.34Å |
| 40 | M | 89.4 | Confident | 86.1 | Confident | 112 Ų | 112 | 88.4 Ų | 88.4 | 55% | 0.552 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.7 | -46.3 | 176.4 | -170.5 | -176 | -160.5 | 0 | 0 | 111.9 | S36 N37 R38 K43 Q44 | S36-M40 WeakPolarHBondContact O-CB 3.4Å; S36-M40 PolarHBondContact O-N 2.93Å; N37-M40 PolarHBondContact O-N 3.49Å; R38-M40 VanDerWaalsContact C-N 3.28Å; R38-M40 PolarHBondContact O-N 2.92Å; M40-K43 PolarHBondContact O-N 2.75Å; M40-Q44 WeakPolarHBondContact O-CG 3.38Å; M40-Q44 PolarHBondContact O-N 2.98Å |
| 41 | I | 91.9 | Very high | 87.7 | Confident | 110 Ų | 110 | 88.5 Ų | 88.5 | 56% | 0.564 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.7 | -45.4 | 177.7 | -67.5 | 164.1 | 0 | 0 | 0 | 110.5 | N37 R38 K43 Q44 Q45 | N37-I41 VanDerWaalsContact O-CG1 3.31Å; N37-I41 WeakPolarHBondContact O-CG1 3.48Å; N37-I41 PolarHBondContact O-N 3.06Å; R38-I41 PolarHBondContact O-N 2.9Å; I41-K43 VanDerWaalsContact C-N 3.33Å; I41-K43 PolarHBondContact O-N 3.01Å; I41-Q44 PolarHBondContact O-N 3.16Å; I41-Q45 WeakPolarHBondContact O-CB 3.43Å; I41-Q45 PolarHBondContact O-N 2.82Å |
| 42 | E | 89.3 | Confident | 88.6 | Confident | 75 Ų | 75 | 87.8 Ų | 87.8 | 35% | 0.35 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 179.1 | -71.2 | -172.8 | 160.9 | 0 | 0 | 112.3 | R38 L39 Q45 E46 K81 | R38-E42 WeakPolarHBondContact O-CG 3.3Å; R38-E42 PolarHBondContact O-N 2.81Å; L39-E42 PolarHBondContact O-N 3.45Å; E42-Q45 PolarHBondContact O-N 2.84Å; E42-E46 PolarHBondContact O-N 3.16Å; E42-K81 IonicContact OE1-NZ 2.75Å; E42-K81 PolarHBondContact OE1-NZ 2.92Å; E42-K81 IonicContact OE2-NZ 3Å; E42-K81 PolarHBondContact OE2-NZ 3.3Å |
| 43 | K | 87.9 | Confident | 89.5 | Confident | 100 Ų | 100 | 83.2 Ų | 83.2 | 44% | 0.435 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 175 | 176.8 | -177.7 | 170.5 | -70.3 | 0 | 111.6 | L39 M40 I41 Q45 E46 E47 | L39-K43 WeakPolarHBondContact O-CB 3.47Å; L39-K43 PolarHBondContact O-N 3.34Å; M40-K43 PolarHBondContact O-N 2.75Å; I41-K43 VanDerWaalsContact C-N 3.33Å; I41-K43 PolarHBondContact O-N 3.01Å; K43-Q45 VanDerWaalsContact C-N 3.31Å; K43-Q45 PolarHBondContact O-N 3.27Å; K43-E46 PolarHBondContact O-N 3.17Å; K43-E47 WeakPolarHBondContact CE-OE1 3.42Å; K43-E47 IonicContact NZ-OE1 2.89Å; K43-E47 PolarHBondContact NZ-OE1 3.5Å; K43-E47 IonicContact NZ-OE2 2.69Å; K43-E47 PolarHBondContact NZ-OE2 3.02Å; K43-E47 WeakPolarHBondContact O-CG 3.28Å; K43-E47 PolarHBondContact O-N 3.07Å |
| 44 | Q | 90.9 | Very high | 90.2 | Very high | 103 Ų | 103 | 81.1 Ų | 81.1 | 48% | 0.481 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 177.7 | -75.8 | 176.2 | -6.8 | 0 | 0 | 111.7 | M40 I41 E47 A48 | M40-Q44 WeakPolarHBondContact O-CG 3.38Å; M40-Q44 PolarHBondContact O-N 2.98Å; I41-Q44 PolarHBondContact O-N 3.16Å; Q44-E47 PolarHBondContact O-N 2.85Å; Q44-A48 WeakPolarHBondContact O-CB 3.31Å; Q44-A48 PolarHBondContact O-N 3.37Å |
| 45 | Q | 91.3 | Very high | 90.5 | Very high | 108 Ų | 108 | 77.5 Ų | 77.5 | 51% | 0.505 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 175.7 | -179.2 | 59.3 | 32.1 | 0 | 0 | 111.4 | I41 E42 K43 A48 E49 | I41-Q45 WeakPolarHBondContact O-CB 3.43Å; I41-Q45 PolarHBondContact O-N 2.82Å; E42-Q45 PolarHBondContact O-N 2.84Å; K43-Q45 VanDerWaalsContact C-N 3.31Å; K43-Q45 PolarHBondContact O-N 3.27Å; Q45-A48 PolarHBondContact O-N 3.44Å; Q45-E49 PolarHBondContact NE2-OE1 3Å; Q45-E49 WeakPolarHBondContact O-CG 3.34Å; Q45-E49 PolarHBondContact O-N 3.16Å |
| 46 | E | 89.8 | Confident | 90.8 | Very high | 51 Ų | 51 | 76.4 Ų | 76.4 | 24% | 0.238 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 175.8 | 174.5 | 158.9 | -153.9 | 0 | 0 | 112.2 | E42 K43 A48 E49 W50 S84 R88 | E42-E46 PolarHBondContact O-N 3.16Å; K43-E46 PolarHBondContact O-N 3.17Å; E46-A48 VanDerWaalsContact C-N 3.34Å; E46-A48 PolarHBondContact O-N 3.2Å; E46-E49 PolarHBondContact O-N 3.45Å; E46-W50 PolarHBondContact O-N 2.94Å; E46-S84 PolarHBondContact OE1-OG 3.39Å; E46-R88 IonicContact OE1-CZ 2.68Å; E46-R88 IonicContact OE1-NH1 3.98Å; E46-R88 PolarHBondContact OE1-NH1 3.03Å; E46-R88 IonicContact OE1-NH2 3.71Å |
| 47 | E | 89.4 | Confident | 91 | Very high | 56 Ų | 56 | 73.9 Ų | 73.9 | 26% | 0.262 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 174.9 | -73.7 | 176.3 | 149.8 | 0 | 0 | 111.4 | K43 Q44 W50 E51 L67 K69 | K43-E47 WeakPolarHBondContact CE-OE1 3.42Å; K43-E47 IonicContact NZ-OE1 2.89Å; K43-E47 PolarHBondContact NZ-OE1 3.5Å; K43-E47 IonicContact NZ-OE2 2.69Å; K43-E47 PolarHBondContact NZ-OE2 3.02Å; K43-E47 WeakPolarHBondContact O-CG 3.28Å; K43-E47 PolarHBondContact O-N 3.07Å; Q44-E47 PolarHBondContact O-N 2.85Å; E47-W50 PolarHBondContact O-N 2.73Å; E47-E51 PolarHBondContact O-N 2.91Å; E47-L67 HydrophobicContact CG-CD1 4.14Å; E47-K69 IonicContact OE1-NZ 3.7Å |
| 48 | A | 92.1 | Very high | 91 | Very high | 56 Ų | 56 | 75.2 Ų | 75.2 | 46% | 0.463 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q44 Q45 E46 E51 S52 | Q44-A48 WeakPolarHBondContact O-CB 3.31Å; Q44-A48 PolarHBondContact O-N 3.37Å; Q45-A48 PolarHBondContact O-N 3.44Å; E46-A48 VanDerWaalsContact C-N 3.34Å; E46-A48 PolarHBondContact O-N 3.2Å; A48-E51 PolarHBondContact O-N 3.46Å; A48-S52 PolarHBondContact O-N 3.4Å |
| 49 | E | 92.4 | Very high | 91 | Very high | 67 Ų | 67 | 72.8 Ų | 72.8 | 31% | 0.313 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 175.4 | -73.1 | 170.6 | -169 | 0 | 0 | 111.7 | Q45 E46 S52 I53 R88 | Q45-E49 PolarHBondContact NE2-OE1 3Å; Q45-E49 WeakPolarHBondContact O-CG 3.34Å; Q45-E49 PolarHBondContact O-N 3.16Å; E46-E49 PolarHBondContact O-N 3.45Å; E49-S52 PolarHBondContact O-N 3.27Å; E49-I53 WeakPolarHBondContact O-CG1 3.44Å; E49-I53 PolarHBondContact O-N 3.28Å; E49-I53 VanDerWaalsContact O-N 3.13Å; E49-R88 IonicContact OE2-CZ 2.75Å; E49-R88 IonicContact OE2-NE 3.93Å; E49-R88 PolarHBondContact OE2-NE 2.7Å; E49-R88 IonicContact OE2-NH2 3.21Å; E49-R88 PolarHBondContact OE2-NH2 3.21Å |
| 50 | W | 91.8 | Very high | 90.9 | Very high | 30 Ų | 30 | 69.6 Ų | 69.6 | 11% | 0.114 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.7 | -40 | 173.7 | -79.8 | 119 | 0 | 0 | 0 | 112.2 | E46 E47 S52 I53 N54 L65 L67 M87 R88 L91 | E46-W50 PolarHBondContact O-N 2.94Å; E47-W50 PolarHBondContact O-N 2.73Å; W50-S52 VanDerWaalsContact C-N 3.33Å; W50-S52 PolarHBondContact O-N 3.06Å; W50-I53 HydrophobicContact CE3-CD1 4.15Å; W50-I53 HydrophobicContact CZ3-CD1 4.28Å; W50-I53 PolarHBondContact O-N 3.41Å; W50-N54 WeakPolarHBondContact O-CB 3.32Å; W50-N54 VanDerWaalsContact O-CG 3.29Å; W50-N54 PolarHBondContact O-N 2.67Å; W50-L65 HydrophobicContact CE3-CD1 4.1Å; W50-L65 HydrophobicContact CH2-CD1 4.43Å; W50-L65 HydrophobicContact CZ3-CD1 3.55Å; W50-L67 HydrophobicContact CB-CD1 4.03Å; W50-L67 HydrophobicContact CG-CD1 4.21Å; W50-M87 HydrophobicContact CH2-CG 4.3Å; W50-R88 HydrophobicContact CD2-CG 3.83Å; W50-R88 HydrophobicContact CE3-CG 3.97Å; W50-R88 HydrophobicContact CH2-CG 3.61Å; W50-R88 HydrophobicContact CZ2-CG 3.45Å; W50-R88 VanDerWaalsContact CZ2-CG 3.45Å; W50-R88 HydrophobicContact CZ3-CG 3.86Å; W50-L91 HydrophobicContact CH2-CD1 4.22Å; W50-L91 HydrophobicContact CZ3-CD1 3.88Å |
| 51 | E | 92.6 | Very high | 90.8 | Very high | 131 Ų | 131 | 67.7 Ų | 67.7 | 61% | 0.612 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.1 | -40.5 | 176.1 | -168.5 | 58.5 | -150.9 | 0 | 0 | 111.8 | E47 A48 I53 N54 G55 | E47-E51 PolarHBondContact O-N 2.91Å; A48-E51 PolarHBondContact O-N 3.46Å; E51-I53 VanDerWaalsContact C-N 3.33Å; E51-I53 PolarHBondContact O-N 3.26Å; E51-N54 PolarHBondContact O-N 2.83Å; E51-G55 PolarHBondContact O-N 3.01Å |
| 52 | S | 92.4 | Very high | 90.8 | Very high | 68 Ų | 68 | 68.4 Ų | 68.4 | 48% | 0.476 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 174 | 177.3 | 0 | 0 | 0 | 0 | 112.2 | A48 E49 W50 G55 L56 | A48-S52 PolarHBondContact O-N 3.4Å; E49-S52 PolarHBondContact O-N 3.27Å; W50-S52 VanDerWaalsContact C-N 3.33Å; W50-S52 PolarHBondContact O-N 3.06Å; S52-G55 PolarHBondContact O-N 3.47Å; S52-L56 PolarHBondContact O-N 2.9Å |
| 53 | I | 92.4 | Very high | 90.9 | Very high | 5 Ų | 5 | 73.7 Ų | 73.7 | 3% | 0.026 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 176.8 | -68.3 | 165.8 | 0 | 0 | 0 | 110.8 | E49 W50 E51 G55 L56 L57 R88 L91 | E49-I53 WeakPolarHBondContact O-CG1 3.44Å; E49-I53 PolarHBondContact O-N 3.28Å; E49-I53 VanDerWaalsContact O-N 3.13Å; W50-I53 HydrophobicContact CE3-CD1 4.15Å; W50-I53 HydrophobicContact CZ3-CD1 4.28Å; W50-I53 PolarHBondContact O-N 3.41Å; E51-I53 VanDerWaalsContact C-N 3.33Å; E51-I53 PolarHBondContact O-N 3.26Å; I53-G55 VanDerWaalsContact C-N 3.29Å; I53-G55 PolarHBondContact O-N 3.03Å; I53-L56 WeakPolarHBondContact O-CB 3.41Å; I53-L56 PolarHBondContact O-N 2.87Å; I53-L56 VanDerWaalsContact O-N 3.11Å; I53-L57 HydrophobicContact CG2-CD1 4.04Å; I53-L57 HydrophobicContact CG2-CG 4.29Å; I53-L57 WeakPolarHBondContact O-CG 3.44Å; I53-L57 PolarHBondContact O-N 3.41Å; I53-R88 HydrophobicContact CD1-CB 3.54Å; I53-R88 HydrophobicContact CD1-CG 3.6Å; I53-R88 WeakPolarHBondContact CD1-O 3.26Å; I53-L91 HydrophobicContact CG2-CB 4.3Å; I53-L91 HydrophobicContact CG2-CD1 4.48Å |
| 54 | N | 93.3 | Very high | 90.9 | Very high | 13 Ų | 13 | 71.8 Ų | 71.8 | 7% | 0.07 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 176 | -75.1 | -17.1 | 0 | 0 | 0 | 112 | W50 E51 L56 L57 M58 P64 L65 | W50-N54 WeakPolarHBondContact O-CB 3.32Å; W50-N54 VanDerWaalsContact O-CG 3.29Å; W50-N54 PolarHBondContact O-N 2.67Å; E51-N54 PolarHBondContact O-N 2.83Å; N54-L56 VanDerWaalsContact C-N 3.32Å; N54-L56 PolarHBondContact O-N 3.19Å; N54-L57 PolarHBondContact O-N 3.27Å; N54-M58 WeakPolarHBondContact O-CB 3.49Å; N54-M58 WeakPolarHBondContact O-CG 3.2Å; N54-M58 PolarHBondContact O-N 2.82Å; N54-P64 HydrophobicContact CB-CB 3.97Å; N54-L65 PolarHBondContact ND2-O 3.45Å; N54-L65 WeakPolarHBondContact OD1-CB 3.46Å; N54-L65 PolarHBondContact OD1-N 2.85Å; N54-L65 PolarHBondContact OD1-O 3.33Å |
| 55 | G | 92.3 | Very high | 90.7 | Very high | 35 Ų | 35 | 70.6 Ų | 70.6 | 36% | 0.361 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.3 | -43 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E51 S52 I53 T59 | E51-G55 PolarHBondContact O-N 3.01Å; S52-G55 PolarHBondContact O-N 3.47Å; I53-G55 VanDerWaalsContact C-N 3.29Å; I53-G55 PolarHBondContact O-N 3.03Å; G55-T59 PolarHBondContact O-N 3.05Å; G55-T59 PolarHBondContact O-OG1 2.78Å |
| 56 | L | 91.3 | Very high | 90.2 | Very high | 48 Ų | 48 | 70.7 Ų | 70.7 | 25% | 0.251 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65 | -48.5 | 174.5 | -65.4 | 172.2 | 0 | 0 | 0 | 111.2 | S52 I53 N54 M58 T59 H60 K92 M95 | S52-L56 PolarHBondContact O-N 2.9Å; I53-L56 WeakPolarHBondContact O-CB 3.41Å; I53-L56 PolarHBondContact O-N 2.87Å; I53-L56 VanDerWaalsContact O-N 3.11Å; N54-L56 VanDerWaalsContact C-N 3.32Å; N54-L56 PolarHBondContact O-N 3.19Å; L56-M58 VanDerWaalsContact C-N 3.3Å; L56-M58 PolarHBondContact O-N 2.86Å; L56-T59 WeakPolarHBondContact O-CB 3.36Å; L56-T59 PolarHBondContact O-N 3.32Å; L56-T59 VanDerWaalsContact O-N 3.09Å; L56-H60 PolarHBondContact O-CD2 3.29Å; L56-H60 PolarHBondContact O-N 3.42Å; L56-H60 VanDerWaalsContact O-N 3.17Å; L56-K92 HydrophobicContact CD1-CG 4.42Å; L56-M95 VanDerWaalsContact C-SD 3.59Å; L56-M95 HydrophobicContact CB-CB 4.35Å; L56-M95 HydrophobicContact CB-CE 4.24Å; L56-M95 HydrophobicContact CB-CG 4.43Å; L56-M95 HydrophobicContact CB-SD 3.4Å; L56-M95 WeakPolarHBondContact CB-SD 3.4Å; L56-M95 HydrophobicContact CD1-CB 4.31Å; L56-M95 WeakPolarHBondContact O-CE 3.3Å |
| 57 | L | 91.3 | Very high | 89.7 | Confident | 19 Ų | 19 | 72.4 Ų | 72.4 | 10% | 0.099 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -53.6 | -48.6 | 177.9 | -74.5 | 172.1 | 0 | 0 | 0 | 111.5 | I53 N54 T59 H60 G61 F62 L65 M95 | I53-L57 HydrophobicContact CG2-CD1 4.04Å; I53-L57 HydrophobicContact CG2-CG 4.29Å; I53-L57 WeakPolarHBondContact O-CG 3.44Å; I53-L57 PolarHBondContact O-N 3.41Å; N54-L57 PolarHBondContact O-N 3.27Å; L57-T59 VanDerWaalsContact C-N 3.35Å; L57-T59 PolarHBondContact O-N 3.4Å; L57-H60 CarbonylContact O-C 3.49Å; L57-H60 PolarHBondContact O-N 3.21Å; L57-H60 VanDerWaalsContact O-N 3.16Å; L57-G61 PolarHBondContact O-N 2.91Å; L57-G61 VanDerWaalsContact O-N 3.16Å; L57-F62 HydrophobicContact CB-CB 3.99Å; L57-F62 HydrophobicContact CD2-CB 3.88Å; L57-F62 HydrophobicContact CD2-CD2 4.23Å; L57-F62 HydrophobicContact CD2-CG 4.19Å; L57-F62 WeakPolarHBondContact O-CB 3.39Å; L57-F62 PolarHBondContact O-N 3.37Å; L57-L65 HydrophobicContact CD1-CD1 4.03Å; L57-L65 HydrophobicContact CD1-CG 3.82Å; L57-M95 HydrophobicContact CB-SD 4.39Å; L57-M95 HydrophobicContact CD2-CE 3.97Å; L57-M95 HydrophobicContact CD2-SD 3.64Å; L57-M95 HydrophobicContact CG-CE 4.45Å; L57-M95 HydrophobicContact CG-SD 3.78Å; L57-M95 PolarHBondContact N-SD 3.45Å; L57-M95 VanDerWaalsContact N-SD 3.42Å |
| 58 | M | 91.5 | Very high | 89.2 | Confident | 114 Ų | 114 | 73.7 Ų | 73.7 | 56% | 0.562 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.7 | -39.6 | 178.5 | -71 | -70.4 | -70.8 | 0 | 0 | 112.4 | N54 L56 H60 G61 P64 | N54-M58 WeakPolarHBondContact O-CB 3.49Å; N54-M58 WeakPolarHBondContact O-CG 3.2Å; N54-M58 PolarHBondContact O-N 2.82Å; L56-M58 VanDerWaalsContact C-N 3.3Å; L56-M58 PolarHBondContact O-N 2.86Å; M58-H60 PolarHBondContact O-N 3.11Å; M58-G61 PolarHBondContact O-N 3.09Å; M58-P64 HydrophobicContact CG-CB 4.4Å; M58-P64 HydrophobicContact SD-CB 4.41Å; M58-P64 HydrophobicContact SD-CG 4.11Å |
| 59 | T | 89.8 | Confident | 88.2 | Confident | 112 Ų | 112 | 79.2 Ų | 79.2 | 69% | 0.687 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59.9 | -33.3 | 176.7 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | G55 L56 L57 | G55-T59 PolarHBondContact O-N 3.05Å; G55-T59 PolarHBondContact O-OG1 2.78Å; L56-T59 WeakPolarHBondContact O-CB 3.36Å; L56-T59 PolarHBondContact O-N 3.32Å; L56-T59 VanDerWaalsContact O-N 3.09Å; L57-T59 VanDerWaalsContact C-N 3.35Å; L57-T59 PolarHBondContact O-N 3.4Å |
| 60 | H | 85.9 | Confident | 87 | Confident | 49 Ų | 49 | 78.5 Ų | 78.5 | 23% | 0.227 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 9 | 177.1 | -65.9 | -78.2 | 0 | 0 | 0 | 113.8 | L56 L57 M58 F62 M95 T99 | L56-H60 PolarHBondContact O-CD2 3.29Å; L56-H60 PolarHBondContact O-N 3.42Å; L56-H60 VanDerWaalsContact O-N 3.17Å; L57-H60 CarbonylContact O-C 3.49Å; L57-H60 PolarHBondContact O-N 3.21Å; L57-H60 VanDerWaalsContact O-N 3.16Å; M58-H60 PolarHBondContact O-N 3.11Å; H60-F62 HydrophobicContact CB-CD2 3.78Å; H60-F62 HydrophobicContact CB-CE2 3.83Å; H60-M95 HydrophobicContact CB-CE 3.88Å; H60-M95 WeakPolarHBondContact CD2-CE 3.43Å; H60-T99 PolarHBondContact CE1-OG1 3.26Å; H60-T99 PolarHBondContact NE2-OG1 2.76Å |
| 61 | G | 88.3 | Confident | 85.5 | Confident | 71 Ų | 71 | 82.1 Ų | 82.1 | 73% | 0.732 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 12.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L57 M58 | L57-G61 PolarHBondContact O-N 2.91Å; L57-G61 VanDerWaalsContact O-N 3.16Å; M58-G61 PolarHBondContact O-N 3.09Å |
| 62 | F | 90 | Very high | 84.4 | Confident | 125 Ų | 125 | 80.2 Ų | 80.2 | 55% | 0.548 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 155.9 | 174.4 | -62.8 | -79.5 | 0 | 0 | 0 | 111.8 | L57 H60 M95 | L57-F62 HydrophobicContact CB-CB 3.99Å; L57-F62 HydrophobicContact CD2-CB 3.88Å; L57-F62 HydrophobicContact CD2-CD2 4.23Å; L57-F62 HydrophobicContact CD2-CG 4.19Å; L57-F62 WeakPolarHBondContact O-CB 3.39Å; L57-F62 PolarHBondContact O-N 3.37Å; H60-F62 HydrophobicContact CB-CD2 3.78Å; H60-F62 HydrophobicContact CB-CE2 3.83Å; F62-M95 HydrophobicContact CD2-CE 4.29Å |
| 63 | K | 91.4 | Very high | 83.6 | Confident | 186 Ų | 186 | 80.8 Ų | 80.8 | 81% | 0.809 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 141.8 | 172.9 | -68.6 | -178.8 | 179.7 | 179.1 | 0 | 110.3 | ||
| 64 | P | 88.4 | Confident | 83 | Confident | 60 Ų | 60 | 90.1 Ų | 90.1 | 39% | 0.39 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 151.1 | 178.3 | 31.6 | -32.5 | 0 | 0 | 0 | 110.2 | N54 M58 | N54-P64 HydrophobicContact CB-CB 3.97Å; M58-P64 HydrophobicContact CG-CB 4.4Å; M58-P64 HydrophobicContact SD-CB 4.41Å; M58-P64 HydrophobicContact SD-CG 4.11Å |
| 65 | L | 87.3 | Confident | 82.5 | Confident | 78 Ų | 78 | 96.9 Ų | 96.9 | 41% | 0.408 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -83 | 133 | 174 | -59.2 | 174.6 | 0 | 0 | 0 | 109.6 | W50 N54 L57 L91 | W50-L65 HydrophobicContact CE3-CD1 4.1Å; W50-L65 HydrophobicContact CH2-CD1 4.43Å; W50-L65 HydrophobicContact CZ3-CD1 3.55Å; N54-L65 PolarHBondContact ND2-O 3.45Å; N54-L65 WeakPolarHBondContact OD1-CB 3.46Å; N54-L65 PolarHBondContact OD1-N 2.85Å; N54-L65 PolarHBondContact OD1-O 3.33Å; L57-L65 HydrophobicContact CD1-CD1 4.03Å; L57-L65 HydrophobicContact CD1-CG 3.82Å; L65-L91 HydrophobicContact CD1-CD1 4.13Å |
| 66 | C | 81.3 | Confident | 82 | Confident | 110 Ų | 110 | 100.1 Ų | 100.1 | 74% | 0.743 | 55% | 0.549 | S | S | * | . | trans | -104.2 | 129.4 | 178.8 | -63.7 | 0 | 0 | 0 | 0 | 110.6 | V68 | C66-V68 PolarHBondContact O-N 2.92Š| ||
| 67 | L | 78.8 | Confident | 81.6 | Confident | 87 Ų | 87 | 104.7 Ų | 104.7 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | trans | -74 | 110 | 168.8 | -75.3 | 136.7 | 0 | 0 | 0 | 109.2 | E47 W50 K69 | E47-L67 HydrophobicContact CG-CD1 4.14Å; W50-L67 HydrophobicContact CB-CD1 4.03Å; W50-L67 HydrophobicContact CG-CD1 4.21Å; L67-K69 PolarHBondContact O-N 3.5Å | ||
| 68 | V | 78.7 | Confident | 81.2 | Confident | 84 Ų | 84 | 108.4 Ų | 108.4 | 51% | 0.509 | 60% | 0.595 | S | S | . | * | trans | -73.8 | 122.3 | 179.1 | -178.6 | 0 | 0 | 0 | 0 | 109.4 | C66 F76 | C66-V68 PolarHBondContact O-N 2.92Å; V68-F76 HydrophobicContact CB-CZ 4.47Å; V68-F76 HydrophobicContact CG1-CE2 4.11Å; V68-F76 HydrophobicContact CG1-CZ 4.09Å; V68-F76 HydrophobicContact CG2-CD1 4.41Å; V68-F76 HydrophobicContact CG2-CE1 3.75Å; V68-F76 HydrophobicContact CG2-CZ 3.85Å | ||
| 69 | K | 71.9 | Confident | 80.9 | Confident | 171 Ų | 171 | 107.8 Ų | 107.8 | 74% | 0.743 | 59% | 0.589 | S | S | * | * | trans | -103.7 | 102.1 | 172.7 | -69.4 | 178.3 | -179.6 | 171.3 | 0 | 108.2 | E47 L67 | E47-K69 IonicContact OE1-NZ 3.7Å; L67-K69 PolarHBondContact O-N 3.5Å | ||
| 70 | G | 66.5 | Low | 80.9 | Confident | 52 Ų | 52 | 106.6 Ų | 106.6 | 54% | 0.536 | 58% | 0.579 | S | S | . | * | S | Bend | trans | 179.7 | 160 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 71 | A | 61.1 | Low | 80.9 | Confident | 106 Ų | 106 | 108.7 Ų | 108.7 | 88% | 0.876 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -86 | -18.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L73 | A71-L73 PolarHBondContact O-N 3.31Š|
| 72 | D | 68.1 | Low | 81.1 | Confident | 92 Ų | 92 | 111.4 Ų | 111.4 | 49% | 0.492 | 58% | 0.581 | S | S | . | * | trans | -91.3 | 81.8 | -179.5 | -143.6 | -12.2 | 0 | 0 | 0 | 110.2 | R74 | D72-R74 VanDerWaalsContact C-N 3.29Å; D72-R74 WeakPolarHBondContact OD1-CG 3.44Å; D72-R74 IonicContact OD1-CZ 3.41Å; D72-R74 IonicContact OD1-NE 2.75Å; D72-R74 PolarHBondContact OD1-NE 2.97Å; D72-R74 IonicContact OD1-NH2 3.3Å; D72-R74 PolarHBondContact OD1-NH2 3.33Å; D72-R74 IonicContact OD2-CZ 3.73Å; D72-R74 IonicContact OD2-NE 3.79Å; D72-R74 IonicContact OD2-NH2 2.84Å; D72-R74 PolarHBondContact OD2-NH2 3.25Å | ||
| 73 | L | 77 | Confident | 81.2 | Confident | 79 Ų | 79 | 108 Ų | 108 | 41% | 0.414 | 57% | 0.572 | S | S | . | * | trans | -87.3 | 5.4 | -180 | -62.7 | 172.6 | 0 | 0 | 0 | 112.9 | A71 D75 F76 V78 | A71-L73 PolarHBondContact O-N 3.31Å; L73-D75 PolarHBondContact O-N 3.45Å; L73-D75 VanDerWaalsContact O-N 3.16Å; L73-F76 PolarHBondContact O-N 3.48Å; L73-V78 HydrophobicContact CB-CG2 4.14Å; L73-V78 HydrophobicContact CD1-CG2 3.92Å; L73-V78 HydrophobicContact CD2-CG2 4.34Å; L73-V78 HydrophobicContact CG-CG2 4.36Å | ||
| 74 | R | 78.9 | Confident | 81.1 | Confident | 202 Ų | 202 | 99.6 Ų | 99.6 | 76% | 0.762 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -29 | -172.1 | -72.4 | -174.5 | -69.7 | -172 | 0.7 | 113.7 | D72 | D72-R74 VanDerWaalsContact C-N 3.29Å; D72-R74 WeakPolarHBondContact OD1-CG 3.44Å; D72-R74 IonicContact OD1-CZ 3.41Å; D72-R74 IonicContact OD1-NE 2.75Å; D72-R74 PolarHBondContact OD1-NE 2.97Å; D72-R74 IonicContact OD1-NH2 3.3Å; D72-R74 PolarHBondContact OD1-NH2 3.33Å; D72-R74 IonicContact OD2-CZ 3.73Å; D72-R74 IonicContact OD2-NE 3.79Å; D72-R74 IonicContact OD2-NH2 2.84Å; D72-R74 PolarHBondContact OD2-NH2 3.25Å |
| 75 | D | 82.1 | Confident | 81.3 | Confident | 154 Ų | 154 | 99.7 Ų | 99.7 | 82% | 0.824 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 4.4 | 179 | -58.8 | -35.2 | 0 | 0 | 0 | 113.1 | L73 | L73-D75 PolarHBondContact O-N 3.45Å; L73-D75 VanDerWaalsContact O-N 3.16Å |
| 76 | F | 81.8 | Confident | 81.6 | Confident | 103 Ų | 103 | 102.4 Ų | 102.4 | 45% | 0.452 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -116.1 | 139.4 | -174.8 | -65.1 | -78.5 | 0 | 0 | 0 | 112.5 | V68 L73 V78 | V68-F76 HydrophobicContact CB-CZ 4.47Å; V68-F76 HydrophobicContact CG1-CE2 4.11Å; V68-F76 HydrophobicContact CG1-CZ 4.09Å; V68-F76 HydrophobicContact CG2-CD1 4.41Å; V68-F76 HydrophobicContact CG2-CE1 3.75Å; V68-F76 HydrophobicContact CG2-CZ 3.85Å; L73-F76 PolarHBondContact O-N 3.48Å; F76-V78 PolarHBondContact O-N 3.46Å |
| 77 | I | 82.7 | Confident | 82.1 | Confident | 144 Ų | 144 | 100.3 Ų | 100.3 | 74% | 0.738 | 52% | 0.521 | S | S | * | . | trans | -81 | 112.5 | 165.9 | -59.6 | 173.8 | 0 | 0 | 0 | 107.2 | F79 | I77-F79 HydrophobicContact CG2-CE1 4.25Å; I77-F79 HydrophobicContact CG2-CZ 4.16Å | ||
| 78 | V | 83.7 | Confident | 82.8 | Confident | 98 Ų | 98 | 96.6 Ų | 96.6 | 59% | 0.594 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -87.6 | 123.1 | 177.9 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | L73 F76 | L73-V78 HydrophobicContact CB-CG2 4.14Å; L73-V78 HydrophobicContact CD1-CG2 3.92Å; L73-V78 HydrophobicContact CD2-CG2 4.34Å; L73-V78 HydrophobicContact CG-CG2 4.36Å; F76-V78 PolarHBondContact O-N 3.46Å |
| 79 | F | 86.1 | Confident | 83.5 | Confident | 100 Ų | 100 | 98.9 Ų | 98.9 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -90.1 | 139.6 | 171.6 | -67.3 | -66.7 | 0 | 0 | 0 | 110.4 | I77 M87 | I77-F79 HydrophobicContact CG2-CE1 4.25Å; I77-F79 HydrophobicContact CG2-CZ 4.16Å; F79-M87 HydrophobicContact CE1-CE 4.4Å; F79-M87 HydrophobicContact CE2-CE 4.46Å; F79-M87 HydrophobicContact CZ-CE 3.92Å |
| 80 | D | 89.1 | Confident | 84.6 | Confident | 88 Ų | 88 | 95.3 Ų | 95.3 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 167.4 | 162.9 | 77.1 | -63.8 | 0 | 0 | 0 | 110 | Q82 S83 S84 | D80-Q82 VanDerWaalsContact C-N 3.26Å; D80-Q82 PolarHBondContact O-N 2.92Å; D80-Q82 WeakPolarHBondContact OD2-CB 3.49Å; D80-Q82 PolarHBondContact OD2-N 3.41Å; D80-Q82 VanDerWaalsContact OD2-N 3.09Å; D80-S83 PolarHBondContact O-N 3.42Å; D80-S83 WeakPolarHBondContact OD1-CB 3.19Å; D80-S83 PolarHBondContact OD1-N 3Å; D80-S83 PolarHBondContact OD1-OG 3.18Å; D80-S84 WeakPolarHBondContact O-CB 3.44Å; D80-S84 PolarHBondContact O-N 3.43Å |
| 81 | K | 86.4 | Confident | 85.8 | Confident | 92 Ų | 92 | 94.8 Ų | 94.8 | 40% | 0.4 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -53.7 | -42.6 | -176.7 | -175.8 | 175.7 | 178.4 | -179.8 | 0 | 112.4 | E42 Q85 | E42-K81 IonicContact OE1-NZ 2.75Å; E42-K81 PolarHBondContact OE1-NZ 2.92Å; E42-K81 IonicContact OE2-NZ 3Å; E42-K81 PolarHBondContact OE2-NZ 3.3Å; K81-Q85 WeakPolarHBondContact O-CB 3.39Å; K81-Q85 VanDerWaalsContact O-CG 3.24Å; K81-Q85 WeakPolarHBondContact O-CG 3.4Å; K81-Q85 PolarHBondContact O-N 3.46Å |
| 82 | Q | 91.6 | Very high | 87.4 | Confident | 129 Ų | 129 | 94.2 Ų | 94.2 | 60% | 0.603 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -70.1 | -44.9 | -178 | -68.8 | -66.5 | -43.6 | 0 | 0 | 111.4 | D80 S84 Q85 K86 | D80-Q82 VanDerWaalsContact C-N 3.26Å; D80-Q82 PolarHBondContact O-N 2.92Å; D80-Q82 WeakPolarHBondContact OD2-CB 3.49Å; D80-Q82 PolarHBondContact OD2-N 3.41Å; D80-Q82 VanDerWaalsContact OD2-N 3.09Å; Q82-S84 VanDerWaalsContact C-N 3.34Å; Q82-S84 PolarHBondContact O-N 3.41Å; Q82-Q85 PolarHBondContact O-N 2.99Å; Q82-K86 WeakPolarHBondContact O-CB 3.42Å; Q82-K86 PolarHBondContact O-N 2.96Å |
| 83 | S | 91.9 | Very high | 88.6 | Confident | 52 Ų | 52 | 94 Ų | 94 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 177.5 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | D80 K86 M87 | D80-S83 PolarHBondContact O-N 3.42Å; D80-S83 WeakPolarHBondContact OD1-CB 3.19Å; D80-S83 PolarHBondContact OD1-N 3Å; D80-S83 PolarHBondContact OD1-OG 3.18Å; S83-K86 PolarHBondContact O-N 2.56Å; S83-M87 WeakPolarHBondContact O-CB 3.33Å; S83-M87 PolarHBondContact O-N 2.93Å |
| 84 | S | 89.9 | Confident | 89.4 | Confident | 10 Ų | 10 | 95.2 Ų | 95.2 | 7% | 0.07 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 175.9 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | E46 D80 Q82 K86 M87 R88 | E46-S84 PolarHBondContact OE1-OG 3.39Å; D80-S84 WeakPolarHBondContact O-CB 3.44Å; D80-S84 PolarHBondContact O-N 3.43Å; Q82-S84 VanDerWaalsContact C-N 3.34Å; Q82-S84 PolarHBondContact O-N 3.41Å; S84-K86 PolarHBondContact O-N 3.24Å; S84-M87 PolarHBondContact O-N 3.42Å; S84-R88 WeakPolarHBondContact O-CG 3.35Å; S84-R88 PolarHBondContact O-N 2.87Å; S84-R88 PolarHBondContact O-NH1 3.03Å; S84-R88 PolarHBondContact OG-NH1 3.13Å |
| 85 | Q | 91.9 | Very high | 90 | Very high | 62 Ų | 62 | 86.3 Ų | 86.3 | 29% | 0.29 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.8 | -46 | 175.3 | -77.9 | 178.2 | -41.1 | 0 | 0 | 112.2 | K81 Q82 M87 R88 Q89 | K81-Q85 WeakPolarHBondContact O-CB 3.39Å; K81-Q85 VanDerWaalsContact O-CG 3.24Å; K81-Q85 WeakPolarHBondContact O-CG 3.4Å; K81-Q85 PolarHBondContact O-N 3.46Å; Q82-Q85 PolarHBondContact O-N 2.99Å; Q85-M87 PolarHBondContact O-N 2.93Å; Q85-R88 PolarHBondContact O-N 3.41Å; Q85-Q89 WeakPolarHBondContact O-CG 3.45Å; Q85-Q89 PolarHBondContact O-N 3.21Å |
| 86 | K | 94.3 | Very high | 90.4 | Very high | 135 Ų | 135 | 83.5 Ų | 83.5 | 59% | 0.587 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64.3 | -41.1 | 178.4 | -170.3 | 175.8 | -177.6 | 179.1 | 0 | 111.7 | Q82 S83 S84 R88 Q89 I90 | Q82-K86 WeakPolarHBondContact O-CB 3.42Å; Q82-K86 PolarHBondContact O-N 2.96Å; S83-K86 PolarHBondContact O-N 2.56Å; S84-K86 PolarHBondContact O-N 3.24Å; K86-R88 VanDerWaalsContact C-N 3.34Å; K86-R88 PolarHBondContact O-N 2.75Å; K86-Q89 PolarHBondContact O-N 2.87Å; K86-I90 HydrophobicContact CG-CD1 3.98Å; K86-I90 VanDerWaalsContact O-CG1 3.3Å; K86-I90 WeakPolarHBondContact O-CG1 3.41Å; K86-I90 PolarHBondContact O-N 3.39Å |
| 87 | M | 92.3 | Very high | 91 | Very high | 67 Ų | 67 | 81.7 Ų | 81.7 | 33% | 0.33 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.2 | -46 | 175.1 | -176.4 | 61.9 | 72.6 | 0 | 0 | 111 | W50 F79 S83 S84 Q85 Q89 I90 L91 | W50-M87 HydrophobicContact CH2-CG 4.3Å; F79-M87 HydrophobicContact CE1-CE 4.4Å; F79-M87 HydrophobicContact CE2-CE 4.46Å; F79-M87 HydrophobicContact CZ-CE 3.92Å; S83-M87 WeakPolarHBondContact O-CB 3.33Å; S83-M87 PolarHBondContact O-N 2.93Å; S84-M87 PolarHBondContact O-N 3.42Å; Q85-M87 PolarHBondContact O-N 2.93Å; M87-Q89 PolarHBondContact O-N 3.34Å; M87-I90 PolarHBondContact O-N 2.97Å; M87-L91 HydrophobicContact CG-CD1 4.03Å; M87-L91 WeakPolarHBondContact O-CB 3.26Å; M87-L91 WeakPolarHBondContact O-CG 3.03Å; M87-L91 PolarHBondContact O-N 3.21Å; M87-L91 HydrophobicContact SD-CD1 4.37Å; M87-L91 HydrophobicContact SD-CG 4.36Å |
| 88 | R | 92.5 | Very high | 91.4 | Very high | 9 Ų | 9 | 77.2 Ų | 77.2 | 3% | 0.034 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 176 | -74.9 | -163.5 | -60.2 | -86.5 | 18.3 | 112.7 | E46 E49 W50 I53 S84 Q85 K86 L91 K92 | E46-R88 IonicContact OE1-CZ 2.68Å; E46-R88 IonicContact OE1-NH1 3.98Å; E46-R88 PolarHBondContact OE1-NH1 3.03Å; E46-R88 IonicContact OE1-NH2 3.71Å; E49-R88 IonicContact OE2-CZ 2.75Å; E49-R88 IonicContact OE2-NE 3.93Å; E49-R88 PolarHBondContact OE2-NE 2.7Å; E49-R88 IonicContact OE2-NH2 3.21Å; E49-R88 PolarHBondContact OE2-NH2 3.21Å; W50-R88 HydrophobicContact CD2-CG 3.83Å; W50-R88 HydrophobicContact CE3-CG 3.97Å; W50-R88 HydrophobicContact CH2-CG 3.61Å; W50-R88 HydrophobicContact CZ2-CG 3.45Å; W50-R88 VanDerWaalsContact CZ2-CG 3.45Å; W50-R88 HydrophobicContact CZ3-CG 3.86Å; I53-R88 HydrophobicContact CD1-CB 3.54Å; I53-R88 HydrophobicContact CD1-CG 3.6Å; I53-R88 WeakPolarHBondContact CD1-O 3.26Å; S84-R88 WeakPolarHBondContact O-CG 3.35Å; S84-R88 PolarHBondContact O-N 2.87Å; S84-R88 PolarHBondContact O-NH1 3.03Å; S84-R88 PolarHBondContact OG-NH1 3.13Å; Q85-R88 PolarHBondContact O-N 3.41Å; K86-R88 VanDerWaalsContact C-N 3.34Å; K86-R88 PolarHBondContact O-N 2.75Å; R88-L91 PolarHBondContact O-N 2.98Å; R88-K92 WeakPolarHBondContact O-CB 3.3Å; R88-K92 PolarHBondContact O-N 3.48Å |
| 89 | Q | 94.1 | Very high | 91.7 | Very high | 132 Ų | 132 | 75.6 Ų | 75.6 | 62% | 0.617 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.3 | -47.3 | 177 | -72.7 | 178 | -14.8 | 0 | 0 | 112 | Q85 K86 M87 L91 K92 T93 | Q85-Q89 WeakPolarHBondContact O-CG 3.45Å; Q85-Q89 PolarHBondContact O-N 3.21Å; K86-Q89 PolarHBondContact O-N 2.87Å; M87-Q89 PolarHBondContact O-N 3.34Å; Q89-L91 PolarHBondContact O-N 3.36Å; Q89-K92 PolarHBondContact O-N 3.02Å; Q89-T93 PolarHBondContact O-N 3.29Å; Q89-T93 PolarHBondContact O-OG1 3.3Å |
| 90 | I | 94.5 | Very high | 92.1 | Very high | 95 Ų | 95 | 77.2 Ų | 77.2 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 178.6 | -70 | 166.4 | 0 | 0 | 0 | 110.6 | K86 M87 T93 L94 | K86-I90 HydrophobicContact CG-CD1 3.98Å; K86-I90 VanDerWaalsContact O-CG1 3.3Å; K86-I90 WeakPolarHBondContact O-CG1 3.41Å; K86-I90 PolarHBondContact O-N 3.39Å; M87-I90 PolarHBondContact O-N 2.97Å; I90-T93 PolarHBondContact O-N 2.83Å; I90-L94 WeakPolarHBondContact O-CB 3.46Å; I90-L94 PolarHBondContact O-N 3.45Å |
| 91 | L | 92.9 | Very high | 92.4 | Very high | 41 Ų | 41 | 77 Ų | 77 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.2 | -49.6 | 178.5 | -75.2 | 171.1 | 0 | 0 | 0 | 110.9 | W50 I53 L65 M87 R88 Q89 T93 L94 M95 | W50-L91 HydrophobicContact CH2-CD1 4.22Å; W50-L91 HydrophobicContact CZ3-CD1 3.88Å; I53-L91 HydrophobicContact CG2-CB 4.3Å; I53-L91 HydrophobicContact CG2-CD1 4.48Å; L65-L91 HydrophobicContact CD1-CD1 4.13Å; M87-L91 HydrophobicContact CG-CD1 4.03Å; M87-L91 WeakPolarHBondContact O-CB 3.26Å; M87-L91 WeakPolarHBondContact O-CG 3.03Å; M87-L91 PolarHBondContact O-N 3.21Å; M87-L91 HydrophobicContact SD-CD1 4.37Å; M87-L91 HydrophobicContact SD-CG 4.36Å; R88-L91 PolarHBondContact O-N 2.98Å; Q89-L91 PolarHBondContact O-N 3.36Å; L91-T93 PolarHBondContact O-N 3.47Å; L91-L94 PolarHBondContact O-N 2.97Å; L91-M95 WeakPolarHBondContact O-CG 3.43Å; L91-M95 PolarHBondContact O-N 3.28Å |
| 92 | K | 92.8 | Very high | 92.8 | Very high | 94 Ų | 94 | 77.1 Ų | 77.1 | 41% | 0.409 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.4 | -51.3 | 178.3 | -178.7 | 175.4 | 175.4 | 176 | 0 | 112.1 | L56 R88 Q89 L94 M95 E96 | L56-K92 HydrophobicContact CD1-CG 4.42Å; R88-K92 WeakPolarHBondContact O-CB 3.3Å; R88-K92 PolarHBondContact O-N 3.48Å; Q89-K92 PolarHBondContact O-N 3.02Å; K92-L94 VanDerWaalsContact C-N 3.32Å; K92-L94 PolarHBondContact O-N 3.49Å; K92-M95 PolarHBondContact O-N 2.91Å; K92-E96 WeakPolarHBondContact CE-OE1 3.38Å; K92-E96 IonicContact NZ-OE1 2.81Å; K92-E96 WeakPolarHBondContact O-CG 3.24Å; K92-E96 PolarHBondContact O-N 3.39Å |
| 93 | T | 94.1 | Very high | 92.9 | Very high | 87 Ų | 87 | 73.3 Ų | 73.3 | 53% | 0.534 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 179.5 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | Q89 I90 L91 M95 E96 E97 | Q89-T93 PolarHBondContact O-N 3.29Å; Q89-T93 PolarHBondContact O-OG1 3.3Å; I90-T93 PolarHBondContact O-N 2.83Å; L91-T93 PolarHBondContact O-N 3.47Å; T93-M95 VanDerWaalsContact C-N 3.32Å; T93-M95 PolarHBondContact O-N 2.68Å; T93-E96 PolarHBondContact O-N 2.95Å; T93-E97 VanDerWaalsContact O-CB 3.26Å; T93-E97 WeakPolarHBondContact O-CB 3.48Å; T93-E97 PolarHBondContact O-N 2.75Å |
| 94 | L | 94.2 | Very high | 93.1 | Very high | 106 Ų | 106 | 75.7 Ų | 75.7 | 56% | 0.555 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62 | -40.9 | 177.1 | -174.6 | 67.4 | 0 | 0 | 0 | 111.7 | I90 L91 K92 T98 | I90-L94 WeakPolarHBondContact O-CB 3.46Å; I90-L94 PolarHBondContact O-N 3.45Å; L91-L94 PolarHBondContact O-N 2.97Å; K92-L94 VanDerWaalsContact C-N 3.32Å; K92-L94 PolarHBondContact O-N 3.49Å; L94-T98 WeakPolarHBondContact O-CB 3.37Å; L94-T98 PolarHBondContact O-N 3.09Å; L94-T98 PolarHBondContact O-OG1 3.35Å |
| 95 | M | 91.1 | Very high | 93.4 | Very high | 14 Ų | 14 | 79.5 Ų | 79.5 | 7% | 0.069 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.7 | -45.1 | 178.2 | -62 | -140.5 | 75.7 | 0 | 0 | 112.2 | L56 L57 H60 F62 L91 K92 T93 E97 T98 T99 | L56-M95 VanDerWaalsContact C-SD 3.59Å; L56-M95 HydrophobicContact CB-CB 4.35Å; L56-M95 HydrophobicContact CB-CE 4.24Å; L56-M95 HydrophobicContact CB-CG 4.43Å; L56-M95 HydrophobicContact CB-SD 3.4Å; L56-M95 WeakPolarHBondContact CB-SD 3.4Å; L56-M95 HydrophobicContact CD1-CB 4.31Å; L56-M95 WeakPolarHBondContact O-CE 3.3Å; L57-M95 HydrophobicContact CB-SD 4.39Å; L57-M95 HydrophobicContact CD2-CE 3.97Å; L57-M95 HydrophobicContact CD2-SD 3.64Å; L57-M95 HydrophobicContact CG-CE 4.45Å; L57-M95 HydrophobicContact CG-SD 3.78Å; L57-M95 PolarHBondContact N-SD 3.45Å; L57-M95 VanDerWaalsContact N-SD 3.42Å; H60-M95 HydrophobicContact CB-CE 3.88Å; H60-M95 WeakPolarHBondContact CD2-CE 3.43Å; F62-M95 HydrophobicContact CD2-CE 4.29Å; L91-M95 WeakPolarHBondContact O-CG 3.43Å; L91-M95 PolarHBondContact O-N 3.28Å; K92-M95 PolarHBondContact O-N 2.91Å; T93-M95 VanDerWaalsContact C-N 3.32Å; T93-M95 PolarHBondContact O-N 2.68Å; M95-E97 PolarHBondContact O-N 2.94Å; M95-T98 PolarHBondContact O-N 3.47Å; M95-T99 PolarHBondContact O-N 3.32Å; M95-T99 PolarHBondContact O-OG1 3Å |
| 96 | E | 90.9 | Very high | 93.6 | Very high | 96 Ų | 96 | 84.5 Ų | 84.5 | 45% | 0.449 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 176.4 | -71.6 | 171.9 | 175.2 | 0 | 0 | 111.2 | K92 T93 T99 R100 | K92-E96 WeakPolarHBondContact CE-OE1 3.38Å; K92-E96 IonicContact NZ-OE1 2.81Å; K92-E96 WeakPolarHBondContact O-CG 3.24Å; K92-E96 PolarHBondContact O-N 3.39Å; T93-E96 PolarHBondContact O-N 2.95Å; E96-T99 WeakPolarHBondContact O-CB 2.89Å; E96-T99 PolarHBondContact O-N 3.3Å; E96-R100 PolarHBondContact O-N 2.81Å |
| 97 | E | 94.4 | Very high | 93.7 | Very high | 64 Ų | 64 | 83.1 Ų | 83.1 | 30% | 0.299 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 178.6 | 179 | 55.2 | -159 | 0 | 0 | 111.9 | T93 M95 T99 R100 Q101 | T93-E97 VanDerWaalsContact O-CB 3.26Å; T93-E97 WeakPolarHBondContact O-CB 3.48Å; T93-E97 PolarHBondContact O-N 2.75Å; M95-E97 PolarHBondContact O-N 2.94Å; E97-T99 VanDerWaalsContact C-N 3.29Å; E97-T99 PolarHBondContact O-N 3Å; E97-R100 PolarHBondContact O-N 2.97Å; E97-R100 IonicContact OE1-CZ 3.49Å; E97-R100 IonicContact OE1-NE 3.54Å; E97-R100 IonicContact OE1-NH2 2.67Å; E97-R100 PolarHBondContact OE1-NH2 3.35Å; E97-R100 IonicContact OE2-CZ 3.55Å; E97-R100 IonicContact OE2-NE 2.83Å; E97-R100 PolarHBondContact OE2-NE 2.89Å; E97-R100 IonicContact OE2-NH2 3.41Å; E97-R100 PolarHBondContact OE2-NH2 2.95Å; E97-Q101 WeakPolarHBondContact O-CB 3.37Å; E97-Q101 VanDerWaalsContact O-CG 3.3Å; E97-Q101 WeakPolarHBondContact O-CG 3.45Å; E97-Q101 PolarHBondContact O-N 3.41Å; E97-Q101 WeakPolarHBondContact OE1-CG 3.41Å; E97-Q101 PolarHBondContact OE1-NE2 3.39Å |
| 98 | T | 91.4 | Very high | 94 | Very high | 50 Ų | 50 | 85.4 Ų | 85.4 | 31% | 0.307 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 174.9 | -59.5 | 0 | 0 | 0 | 0 | 111 | L94 M95 Q101 Q102 | L94-T98 WeakPolarHBondContact O-CB 3.37Å; L94-T98 PolarHBondContact O-N 3.09Å; L94-T98 PolarHBondContact O-OG1 3.35Å; M95-T98 PolarHBondContact O-N 3.47Å; T98-Q101 PolarHBondContact O-N 3.25Å; T98-Q102 WeakPolarHBondContact O-CB 3.48Å; T98-Q102 VanDerWaalsContact O-CG 3.29Å; T98-Q102 WeakPolarHBondContact O-CG 3.41Å; T98-Q102 PolarHBondContact O-N 3.36Å |
| 99 | T | 90.4 | Very high | 94.1 | Very high | 65 Ų | 65 | 89.5 Ų | 89.5 | 40% | 0.399 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 176.8 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | H60 M95 E96 E97 Q101 Q102 S103 | H60-T99 PolarHBondContact CE1-OG1 3.26Å; H60-T99 PolarHBondContact NE2-OG1 2.76Å; M95-T99 PolarHBondContact O-N 3.32Å; M95-T99 PolarHBondContact O-OG1 3Å; E96-T99 WeakPolarHBondContact O-CB 2.89Å; E96-T99 PolarHBondContact O-N 3.3Å; E97-T99 VanDerWaalsContact C-N 3.29Å; E97-T99 PolarHBondContact O-N 3Å; T99-Q101 VanDerWaalsContact C-N 3.34Å; T99-Q101 PolarHBondContact O-N 3Å; T99-Q102 PolarHBondContact O-N 2.99Å; T99-S103 PolarHBondContact O-N 2.69Å |
| 100 | R | 94.1 | Very high | 94.2 | Very high | 133 Ų | 133 | 88.1 Ų | 88.1 | 50% | 0.502 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 178.2 | -169.4 | -168.6 | 70.4 | 76.6 | 0.4 | 111.4 | E96 E97 S103 M104 | E96-R100 PolarHBondContact O-N 2.81Å; E97-R100 PolarHBondContact O-N 2.97Å; E97-R100 IonicContact OE1-CZ 3.49Å; E97-R100 IonicContact OE1-NE 3.54Å; E97-R100 IonicContact OE1-NH2 2.67Å; E97-R100 PolarHBondContact OE1-NH2 3.35Å; E97-R100 IonicContact OE2-CZ 3.55Å; E97-R100 IonicContact OE2-NE 2.83Å; E97-R100 PolarHBondContact OE2-NE 2.89Å; E97-R100 IonicContact OE2-NH2 3.41Å; E97-R100 PolarHBondContact OE2-NH2 2.95Å; R100-S103 PolarHBondContact O-N 3Å; R100-M104 PolarHBondContact O-N 2.91Å |
| 101 | Q | 95.6 | Very high | 94.2 | Very high | 85 Ų | 85 | 86.8 Ų | 86.8 | 40% | 0.397 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 177.2 | -72 | 178.3 | 5.1 | 0 | 0 | 112 | E97 T98 T99 S103 M104 I105 | E97-Q101 WeakPolarHBondContact O-CB 3.37Å; E97-Q101 VanDerWaalsContact O-CG 3.3Å; E97-Q101 WeakPolarHBondContact O-CG 3.45Å; E97-Q101 PolarHBondContact O-N 3.41Å; E97-Q101 WeakPolarHBondContact OE1-CG 3.41Å; E97-Q101 PolarHBondContact OE1-NE2 3.39Å; T98-Q101 PolarHBondContact O-N 3.25Å; T99-Q101 VanDerWaalsContact C-N 3.34Å; T99-Q101 PolarHBondContact O-N 3Å; Q101-S103 VanDerWaalsContact C-N 3.32Å; Q101-S103 PolarHBondContact O-N 3.48Å; Q101-M104 PolarHBondContact O-N 3.44Å; Q101-I105 VanDerWaalsContact O-CG1 3.31Å; Q101-I105 WeakPolarHBondContact O-CG1 3.38Å; Q101-I105 PolarHBondContact O-N 3.4Å |
| 102 | Q | 93 | Very high | 94.3 | Very high | 94 Ų | 94 | 89 Ų | 89 | 44% | 0.439 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62 | -38 | 176 | -75.5 | 178.2 | -9.9 | 0 | 0 | 112.5 | T98 T99 R106 | T98-Q102 WeakPolarHBondContact O-CB 3.48Å; T98-Q102 VanDerWaalsContact O-CG 3.29Å; T98-Q102 WeakPolarHBondContact O-CG 3.41Å; T98-Q102 PolarHBondContact O-N 3.36Å; T99-Q102 PolarHBondContact O-N 2.99Å; Q102-R106 WeakPolarHBondContact O-CB 3.47Å; Q102-R106 PolarHBondContact O-N 2.92Å; Q102-R106 VanDerWaalsContact O-N 3.09Å |
| 103 | S | 94.1 | Very high | 94.3 | Very high | 48 Ų | 48 | 90.8 Ų | 90.8 | 34% | 0.336 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.2 | -50.3 | 174 | -161.6 | 0 | 0 | 0 | 0 | 111.3 | T99 R100 Q101 I105 R106 E107 | T99-S103 PolarHBondContact O-N 2.69Å; R100-S103 PolarHBondContact O-N 3Å; Q101-S103 VanDerWaalsContact C-N 3.32Å; Q101-S103 PolarHBondContact O-N 3.48Å; S103-I105 VanDerWaalsContact C-N 3.32Å; S103-I105 PolarHBondContact O-N 3.34Å; S103-R106 WeakPolarHBondContact O-CB 3.39Å; S103-R106 PolarHBondContact O-N 3.25Å; S103-E107 WeakPolarHBondContact O-CG 3.46Å; S103-E107 PolarHBondContact O-N 2.93Å; S103-E107 PolarHBondContact OG-OE1 3.27Å |
| 104 | M | 97.1 | Very high | 94.2 | Very high | 102 Ų | 102 | 93.1 Ų | 93.1 | 50% | 0.502 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.5 | -42.3 | -179.6 | -174.3 | -174.6 | 73.5 | 0 | 0 | 112.1 | R100 Q101 R106 E107 L108 | R100-M104 PolarHBondContact O-N 2.91Å; Q101-M104 PolarHBondContact O-N 3.44Å; M104-R106 VanDerWaalsContact C-N 3.34Å; M104-E107 PolarHBondContact O-N 3.43Å; M104-L108 WeakPolarHBondContact O-CB 3.38Å; M104-L108 PolarHBondContact O-N 3.05Å |
| 105 | I | 96.5 | Very high | 94 | Very high | 91 Ų | 91 | 95.2 Ų | 95.2 | 47% | 0.467 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 175.9 | -69.7 | 166.4 | 0 | 0 | 0 | 110.6 | Q101 S103 L108 I109 | Q101-I105 VanDerWaalsContact O-CG1 3.31Å; Q101-I105 WeakPolarHBondContact O-CG1 3.38Å; Q101-I105 PolarHBondContact O-N 3.4Å; S103-I105 VanDerWaalsContact C-N 3.32Å; S103-I105 PolarHBondContact O-N 3.34Å; I105-L108 PolarHBondContact O-N 3.22Å; I105-I109 HydrophobicContact CG2-CD1 3.82Å; I105-I109 HydrophobicContact CG2-CG1 4.46Å; I105-I109 VanDerWaalsContact O-CG1 3.28Å; I105-I109 WeakPolarHBondContact O-CG1 3.47Å; I105-I109 PolarHBondContact O-N 3Å |
| 106 | R | 95.8 | Very high | 92.8 | Very high | 166 Ų | 166 | 105.2 Ų | 105.2 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -47.4 | 178.8 | -171.3 | -175.1 | -59.4 | 154 | 3.5 | 111.6 | Q102 S103 M104 L108 I109 E110 | Q102-R106 WeakPolarHBondContact O-CB 3.47Å; Q102-R106 PolarHBondContact O-N 2.92Å; Q102-R106 VanDerWaalsContact O-N 3.09Å; S103-R106 WeakPolarHBondContact O-CB 3.39Å; S103-R106 PolarHBondContact O-N 3.25Å; M104-R106 VanDerWaalsContact C-N 3.34Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 3.04Å; R106-I109 PolarHBondContact O-N 3.2Å; R106-E110 PolarHBondContact O-N 2.93Å |
| 107 | E | 96.8 | Very high | 92.9 | Very high | 107 Ų | 107 | 105.7 Ų | 105.7 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 176.3 | -70.4 | 164 | -142.4 | 0 | 0 | 111.4 | S103 M104 E110 T111 | S103-E107 WeakPolarHBondContact O-CG 3.46Å; S103-E107 PolarHBondContact O-N 2.93Å; S103-E107 PolarHBondContact OG-OE1 3.27Å; M104-E107 PolarHBondContact O-N 3.43Å; E107-E110 PolarHBondContact O-N 3.45Å; E107-T111 WeakPolarHBondContact O-CB 3.38Å; E107-T111 VanDerWaalsContact O-CG2 3.28Å; E107-T111 WeakPolarHBondContact O-CG2 3.24Å; E107-T111 PolarHBondContact O-N 3.19Å; E107-T111 PolarHBondContact O-OG1 3.34Å |
| 108 | L | 97.4 | Very high | 92.8 | Very high | 115 Ų | 115 | 107.8 Ų | 107.8 | 60% | 0.602 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -41.5 | 175.9 | -175.4 | 64.1 | 0 | 0 | 0 | 112.2 | M104 I105 R106 T111 N112 | M104-L108 WeakPolarHBondContact O-CB 3.38Å; M104-L108 PolarHBondContact O-N 3.05Å; I105-L108 PolarHBondContact O-N 3.22Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 3.04Å; L108-T111 WeakPolarHBondContact CA-OG1 3.46Å; L108-T111 PolarHBondContact O-OG1 2.96Å; L108-N112 VanDerWaalsContact O-CB 3.23Å; L108-N112 WeakPolarHBondContact O-CB 3.4Å; L108-N112 PolarHBondContact O-N 3.5Å |
| 109 | I | 95.7 | Very high | 92.8 | Very high | 94 Ų | 94 | 111.1 Ų | 111.1 | 48% | 0.482 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 176.2 | -70.4 | 165.7 | 0 | 0 | 0 | 110.5 | I105 R106 N112 Q113 | I105-I109 HydrophobicContact CG2-CD1 3.82Å; I105-I109 HydrophobicContact CG2-CG1 4.46Å; I105-I109 VanDerWaalsContact O-CG1 3.28Å; I105-I109 WeakPolarHBondContact O-CG1 3.47Å; I105-I109 PolarHBondContact O-N 3Å; R106-I109 PolarHBondContact O-N 3.2Å; I109-N112 PolarHBondContact O-N 2.65Å; I109-Q113 WeakPolarHBondContact O-CG 3.25Å; I109-Q113 PolarHBondContact O-N 2.85Å |
| 110 | E | 95.8 | Very high | 93 | Very high | 104 Ų | 104 | 113.8 Ų | 113.8 | 49% | 0.486 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.5 | -49.2 | -179.5 | -177.9 | 176.4 | -174.4 | 0 | 0 | 111.8 | R106 E107 N112 Q113 Q114 | R106-E110 PolarHBondContact O-N 2.93Å; E107-E110 PolarHBondContact O-N 3.45Å; E110-N112 VanDerWaalsContact C-N 3.28Å; E110-N112 PolarHBondContact O-N 2.97Å; E110-Q113 WeakPolarHBondContact O-CB 3.44Å; E110-Q113 PolarHBondContact O-N 3.14Å; E110-Q113 VanDerWaalsContact O-N 3.14Å; E110-Q114 WeakPolarHBondContact O-CG 3.31Å; E110-Q114 PolarHBondContact O-N 2.89Å; E110-Q114 VanDerWaalsContact O-N 3.08Å |
| 111 | T | 94.4 | Very high | 92.9 | Very high | 67 Ų | 67 | 112.6 Ų | 112.6 | 41% | 0.411 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.5 | -39.2 | 176.2 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | E107 L108 Q113 Q114 L115 | E107-T111 WeakPolarHBondContact O-CB 3.38Å; E107-T111 VanDerWaalsContact O-CG2 3.28Å; E107-T111 WeakPolarHBondContact O-CG2 3.24Å; E107-T111 PolarHBondContact O-N 3.19Å; E107-T111 PolarHBondContact O-OG1 3.34Å; L108-T111 WeakPolarHBondContact CA-OG1 3.46Å; L108-T111 PolarHBondContact O-OG1 2.96Å; T111-Q113 PolarHBondContact O-N 3.48Å; T111-Q114 PolarHBondContact O-N 3.34Å; T111-L115 VanDerWaalsContact O-CG 3.3Å; T111-L115 WeakPolarHBondContact O-CG 3.4Å; T111-L115 PolarHBondContact O-N 3.38Å |
| 112 | N | 95.6 | Very high | 92.7 | Very high | 88 Ų | 88 | 114.4 Ų | 114.4 | 47% | 0.471 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.8 | -35.6 | 176.3 | -162 | -91.3 | 0 | 0 | 0 | 112.8 | L108 I109 E110 Q114 L115 | L108-N112 VanDerWaalsContact O-CB 3.23Å; L108-N112 WeakPolarHBondContact O-CB 3.4Å; L108-N112 PolarHBondContact O-N 3.5Å; I109-N112 PolarHBondContact O-N 2.65Å; E110-N112 VanDerWaalsContact C-N 3.28Å; E110-N112 PolarHBondContact O-N 2.97Å; N112-Q114 VanDerWaalsContact C-N 3.34Å; N112-L115 PolarHBondContact O-N 2.89Å |
| 113 | Q | 93.1 | Very high | 92.7 | Very high | 130 Ų | 130 | 115.9 Ų | 115.9 | 61% | 0.607 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.1 | -36.9 | 174.2 | -75.1 | 175 | 4.1 | 0 | 0 | 112.3 | I109 E110 T111 L115 K116 | I109-Q113 WeakPolarHBondContact O-CG 3.25Å; I109-Q113 PolarHBondContact O-N 2.85Å; E110-Q113 WeakPolarHBondContact O-CB 3.44Å; E110-Q113 PolarHBondContact O-N 3.14Å; E110-Q113 VanDerWaalsContact O-N 3.14Å; T111-Q113 PolarHBondContact O-N 3.48Å; Q113-L115 VanDerWaalsContact C-N 3.25Å; Q113-L115 PolarHBondContact O-N 3.28Å; Q113-K116 PolarHBondContact O-N 3.16Å |
| 114 | Q | 90.4 | Very high | 92.6 | Very high | 137 Ų | 137 | 121.1 Ų | 121.1 | 64% | 0.64 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.6 | -19.4 | 177.3 | -66.6 | 172.4 | 9.2 | 0 | 0 | 113.4 | E110 T111 N112 | E110-Q114 WeakPolarHBondContact O-CG 3.31Å; E110-Q114 PolarHBondContact O-N 2.89Å; E110-Q114 VanDerWaalsContact O-N 3.08Å; T111-Q114 PolarHBondContact O-N 3.34Å; N112-Q114 VanDerWaalsContact C-N 3.34Å |
| 115 | L | 90.9 | Very high | 92.2 | Very high | 150 Ų | 150 | 122.7 Ų | 122.7 | 79% | 0.785 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -7.2 | 178.2 | -68.6 | 171.9 | 0 | 0 | 0 | 113.5 | T111 N112 Q113 | T111-L115 VanDerWaalsContact O-CG 3.3Å; T111-L115 WeakPolarHBondContact O-CG 3.4Å; T111-L115 PolarHBondContact O-N 3.38Å; N112-L115 PolarHBondContact O-N 2.89Å; Q113-L115 VanDerWaalsContact C-N 3.25Å; Q113-L115 PolarHBondContact O-N 3.28Å |
| 116 | K | 64.6 | Low | 91.9 | Very high | 223 Ų | 223 | 125.5 Ų | 125.5 | 97% | 0.97 | 60% | 0.598 | S | S | * | * | trans | -85.3 | 0 | 173.6 | -78 | -175.7 | 172.6 | -175.9 | 0 | 111.3 | Q113 | Q113-K116 PolarHBondContact O-N 3.16Š|
Retrieved 116 of 116 residues in 106.1 ms
(Link to these results)