| 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 | 40 | Very low | 55.5 | Low | 235 Ų | 235 | 152.6 Ų | 152.6 | 100% | 1.158 | 84% | 0.835 | S | S | * | * | 0 | 106.5 | 0 | -57.3 | -87.3 | 178 | 0 | 0 | 106.5 | |||||
| 2 | P | 56 | Low | 56.3 | Low | 133 Ų | 133 | 147.7 Ų | 147.7 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -79 | 138.7 | -173.8 | 5 | 11.6 | 0 | 0 | 0 | 111.3 | A4 | P2-A4 PolarHBondContact O-N 3.44Š|
| 3 | R | 42.8 | Very low | 56 | Low | 251 Ų | 251 | 142.9 Ų | 142.9 | 95% | 0.947 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 118.6 | 171.7 | -97.8 | 167.3 | 80.1 | 150.7 | -0.1 | 109.4 | ||
| 4 | A | 51.8 | Low | 56.1 | Low | 97 Ų | 97 | 139.4 Ų | 139.4 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 128.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | P2 | P2-A4 PolarHBondContact O-N 3.44Š|
| 5 | Q | 56.7 | Low | 55.8 | Low | 179 Ų | 179 | 141.7 Ų | 141.7 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 144 | 170.7 | -92.8 | 164.8 | -53.1 | 0 | 0 | 109.7 | D7 | Q5-D7 PolarHBondContact O-N 3.4Š|
| 6 | P | 57.7 | Low | 55.8 | Low | 119 Ų | 119 | 138.3 Ų | 138.3 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 126.9 | 172.7 | 27.7 | -30.6 | 0 | 0 | 0 | 109.6 | T8 | P6-T8 PolarHBondContact O-N 3.24Š|
| 7 | D | 60.9 | Low | 55.7 | Low | 150 Ų | 150 | 136.9 Ų | 136.9 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 117.1 | 173.7 | -64 | -59.3 | 0 | 0 | 0 | 110.1 | Q5 V9 | Q5-D7 PolarHBondContact O-N 3.4Å; D7-V9 PolarHBondContact O-N 3.27Å |
| 8 | T | 63.4 | Low | 55.6 | Low | 132 Ų | 132 | 131.3 Ų | 131.3 | 81% | 0.81 | 72% | 0.721 | S | S | * | * | trans | -68.5 | 96.5 | 170.2 | -57.8 | 0 | 0 | 0 | 0 | 108.5 | P6 V10 | P6-T8 PolarHBondContact O-N 3.24Å; T8-V10 HydrophobicContact CG2-CG2 4.41Å; T8-V10 PolarHBondContact O-N 2.99Å | ||
| 9 | V | 62.5 | Low | 55.5 | Low | 109 Ų | 109 | 127.7 Ų | 127.7 | 66% | 0.661 | 70% | 0.704 | S | S | * | * | trans | -76.1 | 106.6 | 169.7 | 179.1 | 0 | 0 | 0 | 0 | 107.8 | D7 L11 | D7-V9 PolarHBondContact O-N 3.27Å; V9-L11 HydrophobicContact CG1-CD2 4.48Å; V9-L11 HydrophobicContact CG1-CG 4.22Å; V9-L11 PolarHBondContact O-N 3.12Å | ||
| 10 | V | 65.4 | Low | 55.5 | Low | 117 Ų | 117 | 127.1 Ų | 127.1 | 71% | 0.709 | 72% | 0.717 | S | S | * | * | trans | -75.6 | 102.6 | 168.2 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | T8 S12 | T8-V10 HydrophobicContact CG2-CG2 4.41Å; T8-V10 PolarHBondContact O-N 2.99Å; V10-S12 PolarHBondContact O-N 3.21Å | ||
| 11 | L | 53.1 | Low | 55.5 | Low | 157 Ų | 157 | 121.9 Ų | 121.9 | 82% | 0.822 | 69% | 0.691 | S | S | * | * | trans | -76.8 | 94.8 | 171.6 | -72.7 | 153.8 | 0 | 0 | 0 | 108.3 | V9 N13 | V9-L11 HydrophobicContact CG1-CD2 4.48Å; V9-L11 HydrophobicContact CG1-CG 4.22Å; V9-L11 PolarHBondContact O-N 3.12Å; L11-N13 PolarHBondContact O-N 3.2Å | ||
| 12 | S | 64.8 | Low | 56.4 | Low | 93 Ų | 93 | 110.9 Ų | 110.9 | 65% | 0.65 | 64% | 0.638 | S | S | * | * | trans | -67.6 | 128 | 164.9 | -54.8 | 0 | 0 | 0 | 0 | 108.7 | V10 P14 | V10-S12 PolarHBondContact O-N 3.21Å; S12-P14 WeakPolarHBondContact O-CD 3.47Å | ||
| 13 | N | 53 | Low | 56.5 | Low | 86 Ų | 86 | 109.3 Ų | 109.3 | 46% | 0.46 | 62% | 0.622 | S | S | . | * | trans | -80.1 | 115.9 | -178.2 | -162.7 | 31.3 | 0 | 0 | 0 | 109 | L11 F15 D16 | L11-N13 PolarHBondContact O-N 3.2Å; N13-F15 PolarHBondContact O-N 3.49Å; N13-F15 WeakPolarHBondContact OD1-CD2 3.44Å; N13-D16 PolarHBondContact ND2-OD2 3.37Å; N13-D16 PolarHBondContact O-N 3.23Å; N13-D16 VanDerWaalsContact O-N 3.17Å | ||
| 14 | P | 57 | Low | 57.1 | Low | 94 Ų | 94 | 98 Ų | 98 | 61% | 0.61 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -3.5 | -172.5 | 28 | -36.4 | 0 | 0 | 0 | 114.1 | S12 | S12-P14 WeakPolarHBondContact O-CD 3.47Š|
| 15 | F | 52.6 | Low | 57.1 | Low | 174 Ų | 174 | 95.4 Ų | 95.4 | 76% | 0.763 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -15.6 | 179.9 | -55.9 | -71.1 | 0 | 0 | 0 | 113.6 | N13 | N13-F15 PolarHBondContact O-N 3.49Å; N13-F15 WeakPolarHBondContact OD1-CD2 3.44Å |
| 16 | D | 55.7 | Low | 56.9 | Low | 86 Ų | 86 | 92.1 Ų | 92.1 | 46% | 0.46 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -96.6 | -5 | -179.6 | -77.5 | -67.1 | 0 | 0 | 0 | 113.1 | N13 P18 Y111 | N13-D16 PolarHBondContact ND2-OD2 3.37Å; N13-D16 PolarHBondContact O-N 3.23Å; N13-D16 VanDerWaalsContact O-N 3.17Å; D16-P18 WeakPolarHBondContact O-CD 3.46Å; D16-Y111 PolarHBondContact OD1-OH 3.07Å |
| 17 | D | 53.8 | Low | 56.4 | Low | 115 Ų | 115 | 88 Ų | 88 | 62% | 0.615 | 53% | 0.531 | S | S | * | . | trans | -71.2 | 113.8 | 179.9 | -69.6 | -52.1 | 0 | 0 | 0 | 110.4 | ||||
| 18 | P | 53.7 | Low | 55.7 | Low | 36 Ų | 36 | 85.8 Ų | 85.8 | 23% | 0.234 | 53% | 0.525 | C | S | . | . | trans | -60.3 | 152.6 | 165.8 | 27.2 | -32.5 | 0 | 0 | 0 | 108.8 | D16 A20 | D16-P18 WeakPolarHBondContact O-CD 3.46Å; P18-A20 PolarHBondContact O-N 2.98Å; P18-A20 VanDerWaalsContact O-N 3.08Å | ||
| 19 | P | 53.1 | Low | 55.1 | Low | 63 Ų | 63 | 90.9 Ų | 90.9 | 41% | 0.409 | 53% | 0.529 | S | S | . | . | trans | -49.4 | 123.7 | -179.7 | 20.2 | -32.5 | 0 | 0 | 0 | 110 | G21 M79 | P19-G21 PolarHBondContact O-N 2.92Å; P19-M79 HydrophobicContact CB-CE 3.65Å; P19-M79 HydrophobicContact CB-SD 3.63Å; P19-M79 HydrophobicContact CG-CE 3.39Å; P19-M79 HydrophobicContact CG-SD 3.44Å; P19-M79 WeakPolarHBondContact CG-SD 3.46Å | ||
| 20 | A | 55.2 | Low | 54.2 | Low | 116 Ų | 116 | 93.7 Ų | 93.7 | 96% | 0.959 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 32.1 | -156.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | P18 | P18-A20 PolarHBondContact O-N 2.98Å; P18-A20 VanDerWaalsContact O-N 3.08Å |
| 21 | G | 56.3 | Low | 53.2 | Low | 17 Ų | 17 | 96 Ų | 96 | 18% | 0.175 | 55% | 0.545 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -144.6 | 5.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | P19 | P19-G21 PolarHBondContact O-N 2.92Š|
| 22 | C | 58 | Low | 52.7 | Low | 5 Ų | 5 | 93.8 Ų | 93.8 | 3% | 0.034 | 55% | 0.549 | C | S | . | . | trans | -120.6 | 15.3 | -179.9 | -69.9 | 0 | 0 | 0 | 0 | 114.1 | P24 C92 W117 | C22-P24 WeakPolarHBondContact O-CD 3.24Å; C22-C92 WeakPolarHBondContact CA-SG 3.32Å; C22-C92 HydrophobicContact CB-CB 3.85Å; C22-C92 WeakPolarHBondContact CB-SG 3.17Å; C22-C92 WeakPolarHBondContact SG-CB 3.49Å; C22-C92 CovalentContact SG-SG 2.01Å; C22-C92 PolarHBondContact SG-SG 3.12Å; C22-W117 VanDerWaalsContact CB-NE1 3.34Å; C22-W117 WeakPolarHBondContact O-CZ2 3.3Å | ||
| 23 | N | 58.6 | Low | 51.6 | Low | 99 Ų | 99 | 92.2 Ų | 92.2 | 53% | 0.529 | 55% | 0.547 | S | S | . | . | trans | -85.4 | 106.3 | -175.3 | -160.8 | 10.1 | 0 | 0 | 0 | 109.7 | G25 | N23-G25 PolarHBondContact O-N 3.17Å; N23-G25 VanDerWaalsContact O-N 3.12Å | ||
| 24 | P | 56.1 | Low | 51.5 | Low | 14 Ų | 14 | 94.4 Ų | 94.4 | 9% | 0.091 | 57% | 0.567 | C | S | . | * | P | Polyproline II helix | trans | -63.5 | 119.6 | 167.1 | 3.8 | 13.3 | 0 | 0 | 0 | 105.1 | C22 D103 D105 A107 W117 | C22-P24 WeakPolarHBondContact O-CD 3.24Å; P24-D103 WeakPolarHBondContact CA-O 3.34Å; P24-D105 WeakPolarHBondContact CB-O 3.19Å; P24-A107 HydrophobicContact CG-CB 3.85Å; P24-W117 HydrophobicContact CG-CE3 3.99Å; P24-W117 HydrophobicContact CG-CH2 4.06Å; P24-W117 HydrophobicContact CG-CZ3 3.54Å |
| 25 | G | 50.6 | Low | 51.1 | Low | 43 Ų | 43 | 96.3 Ų | 96.3 | 44% | 0.443 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 152.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N23 | N23-G25 PolarHBondContact O-N 3.17Å; N23-G25 VanDerWaalsContact O-N 3.12Å |
| 26 | P | 53.7 | Low | 50.9 | Low | 109 Ų | 109 | 96.7 Ų | 96.7 | 71% | 0.708 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 144.5 | 173.8 | 24.2 | -32.9 | 0 | 0 | 0 | 109.4 | ||
| 27 | P | 47.3 | Very low | 50.5 | Low | 32 Ų | 32 | 98 Ų | 98 | 21% | 0.208 | 60% | 0.596 | C | S | . | * | P | Polyproline II helix | trans | -54.3 | 141.8 | -179.5 | 23.1 | -33 | 0 | 0 | 0 | 109.7 | R29 W130 | P27-R29 PolarHBondContact O-N 2.78Å; P27-W130 HydrophobicContact CB-CH2 4.44Å; P27-W130 HydrophobicContact CB-CZ3 4.39Å; P27-W130 HydrophobicContact CG-CH2 4.37Å; P27-W130 HydrophobicContact CG-CZ3 4.31Å |
| 28 | P | 46.2 | Very low | 50.4 | Low | 104 Ų | 104 | 98.1 Ų | 98.1 | 68% | 0.675 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 121.3 | -178.9 | 22.6 | -31.1 | 0 | 0 | 0 | 108.7 | M30 | P28-M30 HydrophobicContact CG-CE 4.44Å; P28-M30 PolarHBondContact O-N 2.74Å |
| 29 | R | 49.7 | Very low | 50.1 | Low | 239 Ų | 239 | 101.6 Ų | 101.6 | 90% | 0.902 | 63% | 0.626 | S | S | * | * | trans | -62.3 | 102.6 | 167.8 | -64.8 | -176.5 | 80.2 | 178.3 | 5.8 | 106.4 | P27 L31 | P27-R29 PolarHBondContact O-N 2.78Å; R29-L31 VanDerWaalsContact C-N 3.35Å; R29-L31 PolarHBondContact O-N 3.3Å | ||
| 30 | M | 44.4 | Very low | 50.4 | Low | 168 Ų | 168 | 106.5 Ų | 106.5 | 83% | 0.828 | 64% | 0.643 | S | S | * | * | trans | -59.8 | 96.4 | 175.9 | -72.9 | -90.4 | 108.3 | 0 | 0 | 108.7 | P28 A32 | P28-M30 HydrophobicContact CG-CE 4.44Å; P28-M30 PolarHBondContact O-N 2.74Å; M30-A32 PolarHBondContact O-N 3.4Å | ||
| 31 | L | 45.4 | Very low | 50.4 | Low | 167 Ų | 167 | 106.8 Ų | 106.8 | 87% | 0.874 | 64% | 0.635 | S | S | * | * | trans | -75.5 | 110.7 | 162.6 | -138.5 | 78.7 | 0 | 0 | 0 | 106 | R29 G33 | R29-L31 VanDerWaalsContact C-N 3.35Å; R29-L31 PolarHBondContact O-N 3.3Å; L31-G33 PolarHBondContact O-N 2.99Å | ||
| 32 | A | 41 | Very low | 50 | Low | 110 Ų | 110 | 113.1 Ų | 113.1 | 91% | 0.909 | 66% | 0.664 | S | S | * | * | trans | -60.7 | 104.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | M30 | M30-A32 PolarHBondContact O-N 3.4Š| ||
| 33 | G | 43 | Very low | 49.9 | Very low | 59 Ų | 59 | 120.5 Ų | 120.5 | 61% | 0.608 | 70% | 0.703 | S | S | * | * | trans | -122.3 | 148.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L31 | L31-G33 PolarHBondContact O-N 2.99Š| ||
| 34 | P | 49.6 | Very low | 49.6 | Very low | 133 Ų | 133 | 121.9 Ų | 121.9 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | trans | -71.4 | 136.8 | -168.7 | -10.6 | 26.7 | 0 | 0 | 0 | 112.3 | Q36 | P34-Q36 PolarHBondContact O-N 3.37Š| ||
| 35 | V | 50.1 | Low | 49.4 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | trans | -58.6 | 124.8 | 174.5 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 36 | Q | 47.1 | Very low | 50 | Low | 183 Ų | 183 | 130.3 Ų | 130.3 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | -115.2 | 109 | 157.6 | -79.1 | -176.1 | 39.2 | 0 | 0 | 109.3 | P34 | P34-Q36 PolarHBondContact O-N 3.37Š| ||
| 37 | S | 46.9 | Very low | 50.5 | Low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | -71.1 | 120.9 | 172.1 | 21.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 38 | T | 51.6 | Low | 50.6 | Low | 119 Ų | 119 | 137.4 Ų | 137.4 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | trans | -131.4 | 107.6 | 162.4 | -17.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 39 | S | 48.5 | Very low | 51.3 | Low | 109 Ų | 109 | 139.1 Ų | 139.1 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -78.2 | 128.1 | 176.4 | 50 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 40 | H | 59.1 | Low | 51.6 | Low | 165 Ų | 165 | 136 Ų | 136 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -132.4 | 138.6 | 158.3 | -67.9 | -58.8 | 0 | 0 | 0 | 110.9 | ||||
| 41 | P | 55.7 | Low | 51.8 | Low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -80.9 | 150.8 | -167.1 | 31.4 | -34.1 | 0 | 0 | 0 | 113.8 | ||||
| 42 | I | 48.1 | Very low | 52.2 | Low | 151 Ų | 151 | 135.4 Ų | 135.4 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | trans | -54.6 | 134.5 | 166 | -76.9 | 162.4 | 0 | 0 | 0 | 110.7 | ||||
| 43 | N | 55.4 | Low | 52.5 | Low | 160 Ų | 160 | 135 Ų | 135 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -131.2 | 110.1 | 158.7 | -159.8 | 25.4 | 0 | 0 | 0 | 110.2 | ||||
| 44 | N | 53.3 | Low | 52.8 | Low | 127 Ų | 127 | 136.8 Ų | 136.8 | 68% | 0.679 | 80% | 0.797 | S | S | * | * | trans | -77.2 | 135.1 | 172.7 | -85.1 | 7.3 | 0 | 0 | 0 | 109.8 | ||||
| 45 | A | 50.7 | Low | 52.6 | Low | 98 Ų | 98 | 135.3 Ų | 135.3 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -128.8 | 102.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 46 | I | 62.7 | Low | 52.4 | Low | 137 Ų | 137 | 137 Ų | 137 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | trans | -94.8 | 124.7 | 168.5 | -58.8 | 177 | 0 | 0 | 0 | 106.5 | ||||
| 47 | P | 64.6 | Low | 52 | Low | 114 Ų | 114 | 134 Ų | 134 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | trans | -85.4 | 115.5 | 165.4 | 31.5 | -25.1 | 0 | 0 | 0 | 109 | ||||
| 48 | M | 49.2 | Very low | 52.3 | Low | 176 Ų | 176 | 132.8 Ų | 132.8 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -74.9 | 128.7 | 163.6 | -69.1 | -85.9 | -79.4 | 0 | 0 | 108.1 | ||||
| 49 | V | 60.8 | Low | 52.7 | Low | 139 Ų | 139 | 132.8 Ų | 132.8 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | trans | -118.5 | 142.9 | 164.4 | -71.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 50 | L | 57.2 | Low | 53.1 | Low | 175 Ų | 175 | 132.6 Ų | 132.6 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | -71.4 | 144.2 | -158.7 | -70.1 | 148.2 | 0 | 0 | 0 | 113.3 | ||||
| 51 | I | 48.7 | Very low | 52.9 | Low | 168 Ų | 168 | 130 Ų | 130 | 86% | 0.862 | 78% | 0.778 | S | S | * | * | trans | -80.5 | 116.8 | 173.9 | -52.9 | 154.3 | 0 | 0 | 0 | 106.5 | ||||
| 52 | D | 53.1 | Low | 52.8 | Low | 153 Ų | 153 | 134.2 Ų | 134.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -123.9 | 137 | 162 | -171.3 | 49.8 | 0 | 0 | 0 | 109.9 | ||||
| 53 | S | 46.4 | Very low | 52.5 | Low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -108 | 120.7 | -159.9 | 35.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 54 | A | 50 | Low | 52 | Low | 95 Ų | 95 | 129.2 Ų | 129.2 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -154.9 | 147.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 55 | P | 44.3 | Very low | 51.8 | Low | 103 Ų | 103 | 131.3 Ų | 131.3 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | -95.1 | 170.5 | -164 | 22.6 | -4.2 | 0 | 0 | 0 | 111.6 | ||||
| 56 | H | 46.9 | Very low | 51.4 | Low | 169 Ų | 169 | 130.1 Ų | 130.1 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | trans | 102 | 115 | 166.6 | -52.3 | 78.5 | 0 | 0 | 0 | 116.4 | ||||
| 57 | S | 38.3 | Very low | 50.7 | Low | 118 Ų | 118 | 128.8 Ų | 128.8 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | 63.2 | 89.3 | 143 | 54.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 58 | A | 53.8 | Low | 49.8 | Very low | 87 Ų | 87 | 131.9 Ų | 131.9 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | 153.5 | 131.3 | 128.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 59 | P | 59.7 | Low | 49.9 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 133.9 | 171.3 | 26.6 | -30.7 | 0 | 0 | 0 | 108.3 | ||
| 60 | P | 57.1 | Low | 50 | Low | 106 Ų | 106 | 122.8 Ų | 122.8 | 69% | 0.688 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 145.2 | 175.5 | 25.9 | -32.3 | 0 | 0 | 0 | 108.7 | F62 | P60-F62 PolarHBondContact O-N 2.85Š|
| 61 | P | 55 | Low | 50.8 | Low | 109 Ų | 109 | 123.5 Ų | 123.5 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -57 | 132.2 | 170.8 | 26.7 | -32.5 | 0 | 0 | 0 | 106.9 | T63 | P61-T63 PolarHBondContact O-N 2.89Å; P61-T63 PolarHBondContact O-OG1 3.06Å |
| 62 | F | 52.9 | Low | 52.4 | Low | 211 Ų | 211 | 120.5 Ų | 120.5 | 93% | 0.925 | 72% | 0.722 | S | S | * | * | trans | -50.7 | 95.4 | 169.9 | -71.2 | -90.5 | 0 | 0 | 0 | 107.7 | P60 S64 | P60-F62 PolarHBondContact O-N 2.85Å; F62-S64 PolarHBondContact O-N 2.92Å | ||
| 63 | T | 42.7 | Very low | 53.8 | Low | 125 Ų | 125 | 114.5 Ų | 114.5 | 77% | 0.767 | 69% | 0.688 | S | S | * | * | trans | -75.5 | 93.4 | 173.2 | 13.5 | 0 | 0 | 0 | 0 | 103.5 | P61 L65 | P61-T63 PolarHBondContact O-N 2.89Å; P61-T63 PolarHBondContact O-OG1 3.06Å; T63-L65 PolarHBondContact O-N 3.26Å | ||
| 64 | S | 45.2 | Very low | 55.4 | Low | 81 Ų | 81 | 113.4 Ų | 113.4 | 57% | 0.566 | 68% | 0.678 | S | S | * | * | trans | -38.6 | 101.5 | 175.4 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | F62 S66 | F62-S64 PolarHBondContact O-N 2.92Å; S64-S66 PolarHBondContact O-N 3.3Å; S64-S66 WeakPolarHBondContact OG-CB 3.36Å; S64-S66 PolarHBondContact OG-N 3.26Å; S64-S66 PolarHBondContact OG-OG 3.3Å | ||
| 65 | L | 47.7 | Very low | 56.7 | Low | 171 Ų | 171 | 111.7 Ų | 111.7 | 90% | 0.895 | 66% | 0.66 | S | S | * | * | trans | -69.5 | 11.7 | 166.8 | -138.3 | 90 | 0 | 0 | 0 | 111 | T63 S67 | T63-L65 PolarHBondContact O-N 3.26Å; L65-S67 PolarHBondContact O-N 2.97Å | ||
| 66 | S | 43 | Very low | 58.3 | Low | 73 Ų | 73 | 113.8 Ų | 113.8 | 51% | 0.51 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.3 | 44 | -176.3 | -33.9 | 0 | 0 | 0 | 0 | 112.1 | S64 S69 | S64-S66 PolarHBondContact O-N 3.3Å; S64-S66 WeakPolarHBondContact OG-CB 3.36Å; S64-S66 PolarHBondContact OG-N 3.26Å; S64-S66 PolarHBondContact OG-OG 3.3Å; S66-S69 WeakPolarHBondContact CA-OG 3.12Å; S66-S69 PolarHBondContact O-OG 3.18Å |
| 67 | S | 47.6 | Very low | 59.6 | Low | 110 Ų | 110 | 111 Ų | 111 | 77% | 0.769 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.3 | 4.8 | 177.3 | -69.9 | 0 | 0 | 0 | 0 | 115.6 | L65 | L65-S67 PolarHBondContact O-N 2.97Š|
| 68 | L | 45.9 | Very low | 61.5 | Low | 178 Ų | 178 | 107.4 Ų | 107.4 | 93% | 0.932 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -94.8 | -2.1 | 148 | -71.6 | 167.7 | 0 | 0 | 0 | 111.6 | A70 | L68-A70 PolarHBondContact O-N 3.07Š|
| 69 | S | 52.1 | Low | 62.7 | Low | 70 Ų | 70 | 105.3 Ų | 105.3 | 49% | 0.49 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -67.4 | 114.4 | 177.5 | 49.8 | 0 | 0 | 0 | 0 | 109.4 | S66 R71 | S66-S69 WeakPolarHBondContact CA-OG 3.12Å; S66-S69 PolarHBondContact O-OG 3.18Å; S69-R71 PolarHBondContact O-N 2.63Å |
| 70 | A | 62.9 | Low | 63.6 | Low | 55 Ų | 55 | 101 Ų | 101 | 46% | 0.455 | 57% | 0.573 | S | S | . | * | trans | -34 | 126.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L68 V72 R99 | L68-A70 PolarHBondContact O-N 3.07Å; A70-V72 PolarHBondContact O-N 3.08Å; A70-R99 HydrophobicContact CB-CG 3.87Å | ||
| 71 | R | 74.7 | Confident | 64.6 | Low | 189 Ų | 189 | 103.1 Ų | 103.1 | 71% | 0.713 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 126.6 | 176.2 | -70.2 | -178.3 | -172.2 | 147 | 1.7 | 108.6 | S69 Y73 | S69-R71 PolarHBondContact O-N 2.63Å; R71-Y73 HydrophobicContact CB-CE1 4.48Å; R71-Y73 HydrophobicContact CB-CE2 4.11Å |
| 72 | V | 82.2 | Confident | 65.3 | Low | 106 Ų | 106 | 100 Ų | 100 | 64% | 0.642 | 55% | 0.551 | S | S | * | * | B | Isolated β-bridge | trans | -99.9 | 121.3 | 173.9 | -176.3 | 0 | 0 | 0 | 0 | 106.8 | A70 H98 | A70-V72 PolarHBondContact O-N 3.08Å; V72-H98 WeakPolarHBondContact CA-O 3.21Å; V72-H98 HydrophobicContact CG1-CB 3.6Å |
| 73 | Y | 81.9 | Confident | 66.4 | Low | 27 Ų | 27 | 96 Ų | 96 | 11% | 0.106 | 55% | 0.549 | C | S | . | . | P | Polyproline II helix | trans | -95.4 | 155.9 | -175.6 | -66.4 | -75.7 | 0 | 0 | 0 | 111.4 | R71 I80 I91 P93 H98 E100 | R71-Y73 HydrophobicContact CB-CE1 4.48Å; R71-Y73 HydrophobicContact CB-CE2 4.11Å; Y73-I80 HydrophobicContact CD1-CD1 3.45Å; Y73-I80 VanDerWaalsContact CD1-CD1 3.45Å; Y73-I80 HydrophobicContact CE1-CD1 4.41Å; Y73-I80 HydrophobicContact CG-CD1 3.7Å; Y73-I91 HydrophobicContact CD1-CG2 4.41Å; Y73-I91 HydrophobicContact CD2-CG2 4.18Å; Y73-I91 HydrophobicContact CE1-CD1 4.15Å; Y73-I91 HydrophobicContact CE1-CG2 3.91Å; Y73-I91 HydrophobicContact CE2-CG2 3.64Å; Y73-I91 VanDerWaalsContact CZ-CG2 3.49Å; Y73-P93 HydrophobicContact CD2-CB 4.04Å; Y73-P93 HydrophobicContact CG-CB 4.14Å; Y73-H98 WeakPolarHBondContact CD2-O 3.37Å; Y73-H98 PolarHBondContact N-O 3.14Å; Y73-H98 WeakPolarHBondContact O-CB 3.44Å; Y73-E100 HydrophobicContact CE2-CB 3.94Å; Y73-E100 PolarHBondContact OH-OE2 2.72Å |
| 74 | P | 79.5 | Confident | 68.2 | Low | 79 Ų | 79 | 95.1 Ų | 95.1 | 51% | 0.513 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 146.2 | 176.7 | 26 | -34.5 | 0 | 0 | 0 | 112.1 | D76 I80 | P74-D76 VanDerWaalsContact C-N 3.3Å; P74-D76 PolarHBondContact O-N 2.61Å; P74-I80 HydrophobicContact CG-CD1 4.33Å |
| 75 | S | 77.6 | Confident | 69.5 | Low | 60 Ų | 60 | 94.9 Ų | 94.9 | 42% | 0.42 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -10 | -171.2 | -48.2 | 0 | 0 | 0 | 0 | 114.9 | H98 F116 | S75-H98 WeakPolarHBondContact CB-CE1 3.41Å; S75-H98 PolarHBondContact OG-CE1 2.92Å; S75-H98 PolarHBondContact OG-NE2 3.49Å; S75-F116 WeakPolarHBondContact O-CZ 3.44Å |
| 76 | D | 77.4 | Confident | 70.9 | Confident | 146 Ų | 146 | 91.9 Ų | 91.9 | 78% | 0.781 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -11.5 | -166.4 | -59 | -40.3 | 0 | 0 | 0 | 114.1 | P74 | P74-D76 VanDerWaalsContact C-N 3.3Å; P74-D76 PolarHBondContact O-N 2.61Å |
| 77 | Q | 75 | Confident | 72.6 | Confident | 111 Ų | 111 | 96.7 Ų | 96.7 | 52% | 0.519 | 55% | 0.545 | S | S | . | . | trans | -122.6 | 122.6 | -176.9 | -64.2 | -175.3 | 12.8 | 0 | 0 | 111.2 | M79 I80 P93 F116 | Q77-M79 PolarHBondContact O-N 3.47Å; Q77-I80 HydrophobicContact CB-CG1 4.45Å; Q77-P93 WeakPolarHBondContact O-CG 3.34Å; Q77-F116 WeakPolarHBondContact O-CE1 3.22Å | ||
| 78 | P | 77.8 | Confident | 73.8 | Confident | 43 Ų | 43 | 93 Ų | 93 | 28% | 0.279 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -72.3 | -14.4 | 179.2 | 29.4 | -34.9 | 0 | 0 | 0 | 113.4 | F116 | P78-F116 VanDerWaalsContact CA-CE1 3.44Å; P78-F116 HydrophobicContact CB-CD1 4.06Å; P78-F116 HydrophobicContact CB-CD2 4.12Å; P78-F116 HydrophobicContact CB-CE1 4.07Å; P78-F116 HydrophobicContact CB-CE2 4.14Å; P78-F116 HydrophobicContact CB-CG 4.09Å; P78-F116 HydrophobicContact CB-CZ 4.11Å |
| 79 | M | 79.7 | Confident | 75.3 | Confident | 43 Ų | 43 | 88.7 Ų | 88.7 | 21% | 0.212 | 50% | 0.504 | C | S | . | . | trans | -145.8 | 140.8 | 177 | -68.5 | 179 | -73.5 | 0 | 0 | 109.8 | P19 Q77 F81 P90 I91 | P19-M79 HydrophobicContact CB-CE 3.65Å; P19-M79 HydrophobicContact CB-SD 3.63Å; P19-M79 HydrophobicContact CG-CE 3.39Å; P19-M79 HydrophobicContact CG-SD 3.44Å; P19-M79 WeakPolarHBondContact CG-SD 3.46Å; Q77-M79 PolarHBondContact O-N 3.47Å; M79-F81 HydrophobicContact CB-CE2 4.36Å; M79-P90 HydrophobicContact CB-CB 4.15Å; M79-P90 HydrophobicContact CG-CB 4.44Å; M79-P90 HydrophobicContact SD-CB 4.41Å; M79-I91 CarbonylContact C-O 3.57Å; M79-I91 VanDerWaalsContact CA-O 3.31Å; M79-I91 WeakPolarHBondContact CA-O 3.36Å | ||
| 80 | I | 78.8 | Confident | 76.8 | Confident | 28 Ų | 28 | 86.4 Ų | 86.4 | 14% | 0.144 | 49% | 0.487 | C | S | . | . | B | Isolated β-bridge | trans | -124.6 | 120.4 | -178.4 | -62.6 | 170 | 0 | 0 | 0 | 108.5 | Y73 P74 Q77 I91 P93 | Y73-I80 HydrophobicContact CD1-CD1 3.45Å; Y73-I80 VanDerWaalsContact CD1-CD1 3.45Å; Y73-I80 HydrophobicContact CE1-CD1 4.41Å; Y73-I80 HydrophobicContact CG-CD1 3.7Å; P74-I80 HydrophobicContact CG-CD1 4.33Å; Q77-I80 HydrophobicContact CB-CG1 4.45Å; I80-I91 HydrophobicContact CB-CB 4.2Å; I80-I91 PolarHBondContact N-O 3.49Å; I80-I91 WeakPolarHBondContact O-CB 3.07Å; I80-I91 PolarHBondContact O-N 3.34Å; I80-P93 HydrophobicContact CD1-CG 4.08Å; I80-P93 HydrophobicContact CG1-CG 4.49Å |
| 81 | F | 77.1 | Confident | 77.9 | Confident | 150 Ų | 150 | 84.7 Ų | 84.7 | 66% | 0.658 | 47% | 0.47 | S | S | * | . | trans | -94.8 | 123.7 | 176.9 | -63 | -96 | 0 | 0 | 0 | 109.2 | M79 P90 | M79-F81 HydrophobicContact CB-CE2 4.36Å; F81-P90 HydrophobicContact CD1-CB 4.11Å; F81-P90 HydrophobicContact CD1-CG 4.08Å; F81-P90 HydrophobicContact CE1-CB 3.85Å; F81-P90 HydrophobicContact CE1-CG 3.47Å; F81-P90 VanDerWaalsContact CE1-CG 3.47Å; F81-P90 HydrophobicContact CE2-CB 4.46Å; F81-P90 HydrophobicContact CZ-CB 4.01Å; F81-P90 HydrophobicContact CZ-CG 3.83Å | ||
| 82 | T | 69.2 | Low | 78.6 | Confident | 45 Ų | 45 | 76 Ų | 76 | 28% | 0.276 | 44% | 0.439 | S | S | . | . | trans | -82.6 | 122.7 | 176.5 | 64.6 | 0 | 0 | 0 | 0 | 110.5 | S84 N85 I91 | T82-S84 PolarHBondContact O-N 3.17Å; T82-N85 CarbonylContact O-C 3.47Å; T82-N85 PolarHBondContact O-N 2.94Å; T82-I91 HydrophobicContact CG2-CD1 3.41Å; T82-I91 VanDerWaalsContact CG2-CD1 3.41Å; T82-I91 HydrophobicContact CG2-CG1 4.36Å | ||
| 83 | S | 76.8 | Confident | 79.1 | Confident | 125 Ų | 125 | 71 Ų | 71 | 87% | 0.874 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22 | 174.4 | 55.9 | 0 | 0 | 0 | 0 | 113.2 | N85 | S83-N85 VanDerWaalsContact C-N 3.3Å; S83-N85 PolarHBondContact O-N 3.31Å |
| 84 | S | 79.2 | Confident | 79.7 | Confident | 108 Ų | 108 | 69.7 Ų | 69.7 | 76% | 0.755 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -24.6 | 178.6 | 49.6 | 0 | 0 | 0 | 0 | 114.1 | T82 | T82-S84 PolarHBondContact O-N 3.17Š|
| 85 | N | 74 | Confident | 80.4 | Confident | 75 Ų | 75 | 67 Ų | 67 | 40% | 0.401 | 39% | 0.39 | S | S | . | . | trans | -146.8 | 93 | 175.5 | -176.2 | 3.8 | 0 | 0 | 0 | 109.4 | T82 S83 H87 A88 | T82-N85 CarbonylContact O-C 3.47Å; T82-N85 PolarHBondContact O-N 2.94Å; S83-N85 VanDerWaalsContact C-N 3.3Å; S83-N85 PolarHBondContact O-N 3.31Å; N85-H87 PolarHBondContact O-N 3.36Å; N85-H87 VanDerWaalsContact O-N 3.16Å; N85-H87 PolarHBondContact OD1-N 2.96Å; N85-H87 VanDerWaalsContact OD1-N 3.16Å; N85-A88 HydrophobicContact CB-CB 3.94Å; N85-A88 WeakPolarHBondContact O-CB 3.34Å; N85-A88 PolarHBondContact O-N 3.36Å; N85-A88 PolarHBondContact OD1-N 3.01Å | ||
| 86 | P | 77 | Confident | 81.2 | Confident | 109 Ų | 109 | 70.8 Ų | 70.8 | 71% | 0.708 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13.7 | -178.9 | 27.9 | -34.9 | 0 | 0 | 0 | 113.3 | ||
| 87 | H | 79.1 | Confident | 82.1 | Confident | 173 Ų | 173 | 65.1 Ų | 65.1 | 80% | 0.801 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -8.3 | 175.3 | -63.7 | -72.2 | 0 | 0 | 0 | 113.2 | N85 | N85-H87 PolarHBondContact O-N 3.36Å; N85-H87 VanDerWaalsContact O-N 3.16Å; N85-H87 PolarHBondContact OD1-N 2.96Å; N85-H87 VanDerWaalsContact OD1-N 3.16Å |
| 88 | A | 73 | Confident | 82.9 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -66.7 | 139.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | N85 | N85-A88 HydrophobicContact CB-CB 3.94Å; N85-A88 WeakPolarHBondContact O-CB 3.34Å; N85-A88 PolarHBondContact O-N 3.36Å; N85-A88 PolarHBondContact OD1-N 3.01Å |
| 89 | P | 77.3 | Confident | 83.6 | Confident | 88 Ų | 88 | 64.8 Ų | 64.8 | 57% | 0.571 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -51.5 | 148.3 | 166.3 | -24.9 | 34.1 | 0 | 0 | 0 | 110.9 | ||
| 90 | P | 83.7 | Confident | 84.2 | Confident | 21 Ų | 21 | 65.6 Ų | 65.6 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 141 | 175.1 | -12.1 | 26.3 | 0 | 0 | 0 | 110 | M79 F81 C92 | M79-P90 HydrophobicContact CB-CB 4.15Å; M79-P90 HydrophobicContact CG-CB 4.44Å; M79-P90 HydrophobicContact SD-CB 4.41Å; F81-P90 HydrophobicContact CD1-CB 4.11Å; F81-P90 HydrophobicContact CD1-CG 4.08Å; F81-P90 HydrophobicContact CE1-CB 3.85Å; F81-P90 HydrophobicContact CE1-CG 3.47Å; F81-P90 VanDerWaalsContact CE1-CG 3.47Å; F81-P90 HydrophobicContact CE2-CB 4.46Å; F81-P90 HydrophobicContact CZ-CB 4.01Å; F81-P90 HydrophobicContact CZ-CG 3.83Å; P90-C92 PolarHBondContact O-SG 3.28Å |
| 91 | I | 85 | Confident | 84.9 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 10% | 0.097 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -76.9 | 130.7 | 173.1 | -66.4 | 169.7 | 0 | 0 | 0 | 108.4 | Y73 M79 I80 T82 P93 E100 | Y73-I91 HydrophobicContact CD1-CG2 4.41Å; Y73-I91 HydrophobicContact CD2-CG2 4.18Å; Y73-I91 HydrophobicContact CE1-CD1 4.15Å; Y73-I91 HydrophobicContact CE1-CG2 3.91Å; Y73-I91 HydrophobicContact CE2-CG2 3.64Å; Y73-I91 VanDerWaalsContact CZ-CG2 3.49Å; M79-I91 CarbonylContact C-O 3.57Å; M79-I91 VanDerWaalsContact CA-O 3.31Å; M79-I91 WeakPolarHBondContact CA-O 3.36Å; I80-I91 HydrophobicContact CB-CB 4.2Å; I80-I91 PolarHBondContact N-O 3.49Å; I80-I91 WeakPolarHBondContact O-CB 3.07Å; I80-I91 PolarHBondContact O-N 3.34Å; T82-I91 HydrophobicContact CG2-CD1 3.41Å; T82-I91 VanDerWaalsContact CG2-CD1 3.41Å; T82-I91 HydrophobicContact CG2-CG1 4.36Å; I91-P93 WeakPolarHBondContact O-CD 3.49Å; I91-E100 HydrophobicContact CG2-CG 3.97Å |
| 92 | C | 89.6 | Confident | 85.5 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 5% | 0.054 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 92.6 | -174.8 | -35.5 | 0 | 0 | 0 | 0 | 109 | C22 P90 I101 | C22-C92 WeakPolarHBondContact CA-SG 3.32Å; C22-C92 HydrophobicContact CB-CB 3.85Å; C22-C92 WeakPolarHBondContact CB-SG 3.17Å; C22-C92 WeakPolarHBondContact SG-CB 3.49Å; C22-C92 CovalentContact SG-SG 2.01Å; C22-C92 PolarHBondContact SG-SG 3.12Å; P90-C92 PolarHBondContact O-SG 3.28Å; C92-I101 WeakPolarHBondContact O-CB 3.42Å; C92-I101 PolarHBondContact O-N 3.1Å |
| 93 | P | 92.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 136.4 | -178.7 | 30.2 | -36.1 | 0 | 0 | 0 | 111.5 | Y73 Q77 I80 I91 G95 | Y73-P93 HydrophobicContact CD2-CB 4.04Å; Y73-P93 HydrophobicContact CG-CB 4.14Å; Q77-P93 WeakPolarHBondContact O-CG 3.34Å; I80-P93 HydrophobicContact CD1-CG 4.08Å; I80-P93 HydrophobicContact CG1-CG 4.49Å; I91-P93 WeakPolarHBondContact O-CD 3.49Å; P93-G95 PolarHBondContact O-N 2.71Å |
| 94 | C | 95.2 | Very high | 87 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.364 | C | S | . | . | trans | -60.9 | 125.6 | 174.1 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | K96 C97 H98 R99 I101 W117 H119 | C94-K96 PolarHBondContact O-N 3.14Å; C94-C97 WeakPolarHBondContact CB-SG 2.98Å; C94-H98 WeakPolarHBondContact O-CA 3.46Å; C94-H98 PolarHBondContact O-N 2.98Å; C94-H98 PolarHBondContact O-ND1 3.09Å; C94-R99 WeakPolarHBondContact CB-O 3.26Å; C94-R99 PolarHBondContact N-O 2.86Å; C94-I101 HydrophobicContact CB-CD1 3.83Å; C94-I101 HydrophobicContact CB-CG1 3.97Å; C94-W117 CarbonylContact C-O 3.55Å; C94-W117 VanDerWaalsContact CA-O 3.31Å; C94-W117 WeakPolarHBondContact CA-O 3.44Å; C94-H119 WeakPolarHBondContact CB-ND1 3.4Å | ||
| 95 | G | 94.4 | Very high | 87.7 | Confident | 23 Ų | 23 | 64.2 Ų | 64.2 | 24% | 0.237 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | P93 W117 F118 | P93-G95 PolarHBondContact O-N 2.71Å; G95-W117 PolarHBondContact N-O 3.39Å; G95-F118 VanDerWaalsContact C-CE1 3.45Å |
| 96 | K | 94.4 | Very high | 88.7 | Confident | 138 Ų | 138 | 63.5 Ų | 63.5 | 60% | 0.6 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | -51.3 | 178.4 | -171.8 | 87.9 | 176.2 | -159.5 | 0 | 113.2 | C94 F118 C122 | C94-K96 PolarHBondContact O-N 3.14Å; K96-F118 HydrophobicContact CB-CD1 4.09Å; K96-F118 HydrophobicContact CB-CE1 4.36Å; K96-C122 HydrophobicContact CB-CB 3.95Å; K96-C122 HydrophobicContact CG-CB 4.15Å |
| 97 | C | 95 | Very high | 89.6 | Confident | 27 Ų | 27 | 58.4 Ų | 58.4 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -7.6 | -175.7 | 75.8 | 0 | 0 | 0 | 0 | 113.4 | C94 R99 H119 C122 | C94-C97 WeakPolarHBondContact CB-SG 2.98Å; C97-R99 PolarHBondContact O-N 3.17Å; C97-R99 VanDerWaalsContact SG-CZ 3.59Å; C97-H119 PolarHBondContact SG-ND1 2.89Å; C97-C122 VanDerWaalsContact SG-SG 3.67Å |
| 98 | H | 93.1 | Very high | 90.4 | Very high | 42 Ų | 42 | 50.5 Ų | 50.5 | 19% | 0.194 | 27% | 0.265 | C | S | . | . | trans | 59.1 | 14 | 177.9 | -59.1 | -55 | 0 | 0 | 0 | 115.4 | V72 Y73 S75 C94 | V72-H98 WeakPolarHBondContact CA-O 3.21Å; V72-H98 HydrophobicContact CG1-CB 3.6Å; Y73-H98 WeakPolarHBondContact CD2-O 3.37Å; Y73-H98 PolarHBondContact N-O 3.14Å; Y73-H98 WeakPolarHBondContact O-CB 3.44Å; S75-H98 WeakPolarHBondContact CB-CE1 3.41Å; S75-H98 PolarHBondContact OG-CE1 2.92Å; S75-H98 PolarHBondContact OG-NE2 3.49Å; C94-H98 WeakPolarHBondContact O-CA 3.46Å; C94-H98 PolarHBondContact O-N 2.98Å; C94-H98 PolarHBondContact O-ND1 3.09Å | ||
| 99 | R | 92 | Very high | 91.5 | Very high | 106 Ų | 106 | 50.1 Ų | 50.1 | 40% | 0.4 | 26% | 0.258 | S | S | . | . | B | Isolated β-bridge | trans | -85.4 | 158.4 | 169.7 | -63.4 | -172 | -63 | -88.6 | 2.7 | 110.8 | A70 C94 C97 | A70-R99 HydrophobicContact CB-CG 3.87Å; C94-R99 WeakPolarHBondContact CB-O 3.26Å; C94-R99 PolarHBondContact N-O 2.86Å; C97-R99 PolarHBondContact O-N 3.17Å; C97-R99 VanDerWaalsContact SG-CZ 3.59Å |
| 100 | E | 91.8 | Very high | 92.3 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 28% | 0.276 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 138.5 | 172.4 | -159.5 | 156.4 | 144.8 | 0 | 0 | 111.3 | Y73 I91 H102 H119 | Y73-E100 HydrophobicContact CE2-CB 3.94Å; Y73-E100 PolarHBondContact OH-OE2 2.72Å; I91-E100 HydrophobicContact CG2-CG 3.97Å; E100-H102 IonicContact OE1-CE1 2.74Å; E100-H102 PolarHBondContact OE1-CE1 2.87Å; E100-H102 IonicContact OE1-ND1 3.57Å; E100-H119 PolarHBondContact O-CE1 3.41Å; E100-H119 VanDerWaalsContact O-CE1 3.31Å; E100-H119 PolarHBondContact O-NE2 2.93Å |
| 101 | I | 93.1 | Very high | 92.6 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 121.7 | 164.8 | -66.5 | 171.1 | 0 | 0 | 0 | 106.6 | C92 C94 D105 A107 W117 | C92-I101 WeakPolarHBondContact O-CB 3.42Å; C92-I101 PolarHBondContact O-N 3.1Å; C94-I101 HydrophobicContact CB-CD1 3.83Å; C94-I101 HydrophobicContact CB-CG1 3.97Å; I101-D105 WeakPolarHBondContact CA-OD2 3.17Å; I101-D105 HydrophobicContact CG2-CB 4.06Å; I101-A107 HydrophobicContact CD1-CB 4.22Å; I101-A107 HydrophobicContact CG2-CB 3.51Å; I101-W117 VanDerWaalsContact CD1-C 3.45Å; I101-W117 HydrophobicContact CD1-CB 3.38Å |
| 102 | H | 90.3 | Very high | 92.7 | Very high | 100 Ų | 100 | 51.9 Ų | 51.9 | 46% | 0.463 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -93 | 162.1 | 176.7 | -61.9 | -64.9 | 0 | 0 | 0 | 111.3 | E100 N104 D105 | E100-H102 IonicContact OE1-CE1 2.74Å; E100-H102 PolarHBondContact OE1-CE1 2.87Å; E100-H102 IonicContact OE1-ND1 3.57Å; H102-N104 PolarHBondContact O-N 3Å; H102-N104 VanDerWaalsContact O-N 3.1Å; H102-D105 IonicContact CD2-OD2 3.5Å; H102-D105 PolarHBondContact N-OD2 2.83Å; H102-D105 VanDerWaalsContact O-CB 3.3Å; H102-D105 WeakPolarHBondContact O-CB 3.15Å; H102-D105 PolarHBondContact O-N 2.86Å |
| 103 | D | 86.9 | Confident | 92.7 | Very high | 108 Ų | 108 | 51.9 Ų | 51.9 | 58% | 0.578 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27.4 | -179.1 | -62.6 | -16.6 | 0 | 0 | 0 | 114 | P24 | P24-D103 WeakPolarHBondContact CA-O 3.34Š|
| 104 | N | 90.1 | Very high | 92.7 | Very high | 160 Ų | 160 | 54 Ų | 54 | 86% | 0.856 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -4.1 | 178.2 | -64.6 | -46.1 | 0 | 0 | 0 | 113.3 | H102 | H102-N104 PolarHBondContact O-N 3Å; H102-N104 VanDerWaalsContact O-N 3.1Å |
| 105 | D | 93.6 | Very high | 92.6 | Very high | 48 Ų | 48 | 58.6 Ų | 58.6 | 26% | 0.257 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -76.4 | 137.4 | 178.9 | -73 | -19.6 | 0 | 0 | 0 | 110.4 | P24 I101 H102 A107 H119 | P24-D105 WeakPolarHBondContact CB-O 3.19Å; I101-D105 WeakPolarHBondContact CA-OD2 3.17Å; I101-D105 HydrophobicContact CG2-CB 4.06Å; H102-D105 IonicContact CD2-OD2 3.5Å; H102-D105 PolarHBondContact N-OD2 2.83Å; H102-D105 VanDerWaalsContact O-CB 3.3Å; H102-D105 WeakPolarHBondContact O-CB 3.15Å; H102-D105 PolarHBondContact O-N 2.86Å; D105-A107 PolarHBondContact O-N 3.22Å; D105-H119 IonicContact OD2-CD2 3.36Å; D105-H119 IonicContact OD2-NE2 3.54Å; D105-H119 PolarHBondContact OD2-NE2 3.07Å |
| 106 | Q | 96 | Very high | 92.5 | Very high | 60 Ų | 60 | 58.9 Ų | 58.9 | 28% | 0.28 | 28% | 0.28 | S | S | . | . | trans | -68.6 | 102 | 165.4 | -68.7 | 178.2 | -25.9 | 0 | 0 | 108.5 | R120 E127 W130 | Q106-R120 HydrophobicContact CB-CB 3.96Å; Q106-R120 WeakPolarHBondContact O-CB 3.46Å; Q106-R120 PolarHBondContact O-N 3.32Å; Q106-E127 PolarHBondContact NE2-OE1 3Å; Q106-W130 HydrophobicContact CB-CZ2 4.31Å; Q106-W130 HydrophobicContact CG-CH2 4.21Å; Q106-W130 HydrophobicContact CG-CZ2 4.42Å; Q106-W130 HydrophobicContact CG-CZ3 4.24Å | ||
| 107 | A | 96.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 2% | 0.017 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 162.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P24 I101 D105 W117 F118 W130 | P24-A107 HydrophobicContact CG-CB 3.85Å; I101-A107 HydrophobicContact CD1-CB 4.22Å; I101-A107 HydrophobicContact CG2-CB 3.51Å; D105-A107 PolarHBondContact O-N 3.22Å; A107-W117 HydrophobicContact CB-CE3 3.95Å; A107-W117 HydrophobicContact CB-CZ3 4.46Å; A107-F118 CarbonylContact C-O 3.51Å; A107-F118 WeakPolarHBondContact CA-O 3.37Å; A107-F118 WeakPolarHBondContact CB-O 2.91Å; A107-W130 PolarHBondContact O-NE1 2.01Å |
| 108 | I | 96.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 141.4 | -179.2 | -165.6 | 162.2 | 0 | 0 | 0 | 109.9 | W117 F118 V123 L125 I133 W141 | I108-W117 CarbonylContact O-C 3.48Å; I108-F118 HydrophobicContact CG2-CB 4.34Å; I108-F118 PolarHBondContact N-O 3.46Å; I108-F118 PolarHBondContact O-N 3.1Å; I108-V123 HydrophobicContact CG2-CG2 4.22Å; I108-L125 HydrophobicContact CD1-CD2 3.84Å; I108-I133 HydrophobicContact CD1-CB 4.41Å; I108-I133 HydrophobicContact CD1-CD1 4.24Å; I108-I133 HydrophobicContact CD1-CG2 3.96Å; I108-W141 HydrophobicContact CB-CE3 4.44Å; I108-W141 HydrophobicContact CD1-CB 3.37Å; I108-W141 HydrophobicContact CD1-CD2 3.93Å; I108-W141 HydrophobicContact CD1-CE3 4.4Å; I108-W141 HydrophobicContact CD1-CG 3.46Å; I108-W141 VanDerWaalsContact CD1-CG 3.46Å; I108-W141 HydrophobicContact CG1-CB 3.8Å; I108-W141 HydrophobicContact CG1-CD2 4.04Å; I108-W141 HydrophobicContact CG1-CE3 3.99Å; I108-W141 HydrophobicContact CG1-CG 3.98Å; I108-W141 HydrophobicContact CG2-CD2 3.99Å; I108-W141 HydrophobicContact CG2-CE3 3.79Å; I108-W141 HydrophobicContact CG2-CH2 4.27Å; I108-W141 HydrophobicContact CG2-CZ2 4.47Å; I108-W141 HydrophobicContact CG2-CZ3 3.94Å |
| 109 | Q | 95.1 | Very high | 92.8 | Very high | 25 Ų | 25 | 51.5 Ų | 51.5 | 12% | 0.117 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 138.4 | -179.6 | -165.8 | -175.6 | 43.9 | 0 | 0 | 111.2 | Y111 K115 W117 | Q109-Y111 PolarHBondContact O-N 2.97Å; Q109-Y111 VanDerWaalsContact O-N 3.09Å; Q109-K115 PolarHBondContact NE2-O 3.01Å; Q109-K115 VanDerWaalsContact NE2-O 3.14Å; Q109-W117 HydrophobicContact CB-CD2 3.89Å; Q109-W117 HydrophobicContact CB-CE3 4.02Å; Q109-W117 HydrophobicContact CB-CG 4.47Å; Q109-W117 HydrophobicContact CB-CH2 4.15Å; Q109-W117 HydrophobicContact CB-CZ2 4.02Å; Q109-W117 HydrophobicContact CB-CZ3 4.15Å; Q109-W117 HydrophobicContact CG-CD2 4.27Å; Q109-W117 HydrophobicContact CG-CG 4.44Å; Q109-W117 HydrophobicContact CG-CZ2 4.49Å |
| 110 | C | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -76.1 | 91.4 | 170.6 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | G113 K115 F116 F118 W141 C143 | C110-G113 VanDerWaalsContact SG-CA 3.52Å; C110-K115 WeakPolarHBondContact O-CA 3.12Å; C110-K115 PolarHBondContact O-N 3.3Å; C110-K115 VanDerWaalsContact O-N 3.14Å; C110-F116 PolarHBondContact N-O 3.31Å; C110-F118 HydrophobicContact CB-CE2 3.91Å; C110-W141 WeakPolarHBondContact CA-O 3.37Å; C110-W141 HydrophobicContact CB-CE3 4.28Å; C110-W141 HydrophobicContact CB-CZ3 3.9Å; C110-C143 HydrophobicContact CB-CB 4.25Å; C110-C143 PolarHBondContact SG-N 3.01Å | ||
| 111 | Y | 90.5 | Very high | 93.4 | Very high | 57 Ų | 57 | 50.4 Ų | 50.4 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -48.2 | -167.5 | -158.9 | -103.3 | 0 | 0 | 0 | 112.7 | D16 Q109 G113 K115 E140 W141 | D16-Y111 PolarHBondContact OD1-OH 3.07Å; Q109-Y111 PolarHBondContact O-N 2.97Å; Q109-Y111 VanDerWaalsContact O-N 3.09Å; Y111-G113 PolarHBondContact O-N 3.37Å; Y111-K115 VanDerWaalsContact O-CD 3.26Å; Y111-K115 WeakPolarHBondContact O-CD 3.35Å; Y111-K115 WeakPolarHBondContact O-CE 3.31Å; Y111-K115 PolarHBondContact O-NZ 3.16Å; Y111-E140 HydrophobicContact CD1-CG 3.98Å; Y111-E140 WeakPolarHBondContact CD1-OE2 3.29Å; Y111-E140 HydrophobicContact CG-CG 4.33Å; Y111-W141 PolarHBondContact N-O 3.25Å |
| 112 | R | 85.3 | Confident | 93.6 | Very high | 108 Ų | 108 | 51.2 Ų | 51.2 | 41% | 0.408 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3 | -179.2 | -59.7 | -161.3 | 173.3 | -101.7 | -13.9 | 115.2 | E140 V142 I152 | R112-E140 WeakPolarHBondContact CD-OE2 3.15Å; R112-E140 WeakPolarHBondContact CG-OE2 3.39Å; R112-E140 IonicContact CZ-OE1 2.63Å; R112-E140 IonicContact CZ-OE2 2.93Å; R112-E140 IonicContact NE-OE1 3.3Å; R112-E140 IonicContact NE-OE2 3.94Å; R112-E140 PolarHBondContact NE-OE2 3.34Å; R112-E140 IonicContact NH2-OE1 3.33Å; R112-E140 PolarHBondContact NH2-OE1 2.97Å; R112-E140 IonicContact NH2-OE2 3.64Å; R112-E140 PolarHBondContact NH2-OE2 3.13Å; R112-V142 HydrophobicContact CB-CG2 4.13Å; R112-I152 HydrophobicContact CB-CD1 4.02Å; R112-I152 HydrophobicContact CB-CG1 4.49Å; R112-I152 HydrophobicContact CB-CG2 4.16Å |
| 113 | G | 90.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 9% | 0.093 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -109.9 | -167 | 0 | 0 | 0 | 0 | 0 | 113.8 | C110 Y111 C146 K150 | C110-G113 VanDerWaalsContact SG-CA 3.52Å; Y111-G113 PolarHBondContact O-N 3.37Å; G113-C146 WeakPolarHBondContact CA-SG 3.33Å; G113-K150 PolarHBondContact O-NZ 2.95Å |
| 114 | C | 92.7 | Very high | 94.4 | Very high | 44 Ų | 44 | 46.4 Ų | 46.4 | 30% | 0.297 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -4.4 | -172.8 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | F116 C146 | C114-F116 HydrophobicContact CB-CD2 3.82Å; C114-F116 HydrophobicContact CB-CE2 4.46Å; C114-F116 WeakPolarHBondContact O-CD2 3.34Å; C114-F116 PolarHBondContact O-N 3.04Å; C114-C146 PolarHBondContact N-SG 2.95Å |
| 115 | K | 91.9 | Very high | 94.7 | Very high | 97 Ų | 97 | 40.1 Ų | 40.1 | 42% | 0.422 | 22% | 0.216 | S | C | . | . | trans | 61.7 | 7.1 | -179.5 | -53 | -63.1 | -168.5 | 166.8 | 0 | 115.7 | Q109 C110 Y111 | Q109-K115 PolarHBondContact NE2-O 3.01Å; Q109-K115 VanDerWaalsContact NE2-O 3.14Å; C110-K115 WeakPolarHBondContact O-CA 3.12Å; C110-K115 PolarHBondContact O-N 3.3Å; C110-K115 VanDerWaalsContact O-N 3.14Å; Y111-K115 VanDerWaalsContact O-CD 3.26Å; Y111-K115 WeakPolarHBondContact O-CD 3.35Å; Y111-K115 WeakPolarHBondContact O-CE 3.31Å; Y111-K115 PolarHBondContact O-NZ 3.16Å | ||
| 116 | F | 93.8 | Very high | 94.9 | Very high | 28 Ų | 28 | 42.9 Ų | 42.9 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | trans | -68.6 | 147.4 | 170.5 | -79 | -96.2 | 0 | 0 | 0 | 111.2 | S75 Q77 P78 C110 C114 F118 | S75-F116 WeakPolarHBondContact O-CZ 3.44Å; Q77-F116 WeakPolarHBondContact O-CE1 3.22Å; P78-F116 VanDerWaalsContact CA-CE1 3.44Å; P78-F116 HydrophobicContact CB-CD1 4.06Å; P78-F116 HydrophobicContact CB-CD2 4.12Å; P78-F116 HydrophobicContact CB-CE1 4.07Å; P78-F116 HydrophobicContact CB-CE2 4.14Å; P78-F116 HydrophobicContact CB-CG 4.09Å; P78-F116 HydrophobicContact CB-CZ 4.11Å; C110-F116 PolarHBondContact N-O 3.31Å; C114-F116 HydrophobicContact CB-CD2 3.82Å; C114-F116 HydrophobicContact CB-CE2 4.46Å; C114-F116 WeakPolarHBondContact O-CD2 3.34Å; C114-F116 PolarHBondContact O-N 3.04Å; F116-F118 HydrophobicContact CB-CD2 4.37Å; F116-F118 HydrophobicContact CB-CE2 3.61Å; F116-F118 HydrophobicContact CB-CZ 3.89Å; F116-F118 WeakPolarHBondContact O-CD2 3.3Å; F116-F118 VanDerWaalsContact O-CE2 3.29Å; F116-F118 WeakPolarHBondContact O-CE2 3.41Å | ||
| 117 | W | 95.1 | Very high | 94.9 | Very high | 19 Ų | 19 | 43.9 Ų | 43.9 | 7% | 0.072 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 151.1 | 164.3 | -73.7 | 90.5 | 0 | 0 | 0 | 110.4 | C22 P24 C94 G95 I101 A107 I108 Q109 | C22-W117 VanDerWaalsContact CB-NE1 3.34Å; C22-W117 WeakPolarHBondContact O-CZ2 3.3Å; P24-W117 HydrophobicContact CG-CE3 3.99Å; P24-W117 HydrophobicContact CG-CH2 4.06Å; P24-W117 HydrophobicContact CG-CZ3 3.54Å; C94-W117 CarbonylContact C-O 3.55Å; C94-W117 VanDerWaalsContact CA-O 3.31Å; C94-W117 WeakPolarHBondContact CA-O 3.44Å; G95-W117 PolarHBondContact N-O 3.39Å; I101-W117 VanDerWaalsContact CD1-C 3.45Å; I101-W117 HydrophobicContact CD1-CB 3.38Å; A107-W117 HydrophobicContact CB-CE3 3.95Å; A107-W117 HydrophobicContact CB-CZ3 4.46Å; I108-W117 CarbonylContact O-C 3.48Å; Q109-W117 HydrophobicContact CB-CD2 3.89Å; Q109-W117 HydrophobicContact CB-CE3 4.02Å; Q109-W117 HydrophobicContact CB-CG 4.47Å; Q109-W117 HydrophobicContact CB-CH2 4.15Å; Q109-W117 HydrophobicContact CB-CZ2 4.02Å; Q109-W117 HydrophobicContact CB-CZ3 4.15Å; Q109-W117 HydrophobicContact CG-CD2 4.27Å; Q109-W117 HydrophobicContact CG-CG 4.44Å; Q109-W117 HydrophobicContact CG-CZ2 4.49Å |
| 118 | F | 96.6 | Very high | 94.9 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 6% | 0.057 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 133.7 | 179.6 | -64.5 | -97.3 | 0 | 0 | 0 | 109.4 | G95 K96 A107 I108 C110 F116 R120 V123 W141 C143 | G95-F118 VanDerWaalsContact C-CE1 3.45Å; K96-F118 HydrophobicContact CB-CD1 4.09Å; K96-F118 HydrophobicContact CB-CE1 4.36Å; A107-F118 CarbonylContact C-O 3.51Å; A107-F118 WeakPolarHBondContact CA-O 3.37Å; A107-F118 WeakPolarHBondContact CB-O 2.91Å; I108-F118 HydrophobicContact CG2-CB 4.34Å; I108-F118 PolarHBondContact N-O 3.46Å; I108-F118 PolarHBondContact O-N 3.1Å; C110-F118 HydrophobicContact CB-CE2 3.91Å; F116-F118 HydrophobicContact CB-CD2 4.37Å; F116-F118 HydrophobicContact CB-CE2 3.61Å; F116-F118 HydrophobicContact CB-CZ 3.89Å; F116-F118 WeakPolarHBondContact O-CD2 3.3Å; F116-F118 VanDerWaalsContact O-CE2 3.29Å; F116-F118 WeakPolarHBondContact O-CE2 3.41Å; F118-R120 PolarHBondContact O-N 2.9Å; F118-V123 HydrophobicContact CB-CG1 3.64Å; F118-V123 HydrophobicContact CD1-CG1 3.72Å; F118-V123 HydrophobicContact CG-CG1 3.85Å; F118-W141 HydrophobicContact CB-CH2 4.33Å; F118-W141 HydrophobicContact CB-CZ3 4.49Å; F118-W141 AromaticContact CD2-CH2 3.76Å; F118-W141 HydrophobicContact CD2-CH2 3.76Å; F118-W141 AromaticContact CD2-CZ3 3.52Å; F118-W141 HydrophobicContact CD2-CZ3 3.52Å; F118-W141 HydrophobicContact CE2-CH2 4.19Å; F118-W141 AromaticContact CE2-CZ3 3.98Å; F118-W141 HydrophobicContact CE2-CZ3 3.98Å; F118-W141 AromaticContact CG-CH2 3.97Å; F118-W141 HydrophobicContact CG-CH2 3.97Å; F118-W141 HydrophobicContact CG-CZ3 4.15Å; F118-C143 HydrophobicContact CE2-CB 4.08Å; F118-C143 HydrophobicContact CZ-CB 3.95Å |
| 119 | H | 97.3 | Very high | 94.9 | Very high | 20 Ų | 20 | 50.5 Ų | 50.5 | 9% | 0.093 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 135.9 | 164.7 | -65.3 | 110.6 | 0 | 0 | 0 | 109.3 | C94 C97 E100 D105 T121 C122 V123 | C94-H119 WeakPolarHBondContact CB-ND1 3.4Å; C97-H119 PolarHBondContact SG-ND1 2.89Å; E100-H119 PolarHBondContact O-CE1 3.41Å; E100-H119 VanDerWaalsContact O-CE1 3.31Å; E100-H119 PolarHBondContact O-NE2 2.93Å; D105-H119 IonicContact OD2-CD2 3.36Å; D105-H119 IonicContact OD2-NE2 3.54Å; D105-H119 PolarHBondContact OD2-NE2 3.07Å; H119-T121 PolarHBondContact O-N 2.94Å; H119-C122 HydrophobicContact CB-CB 4.04Å; H119-C122 WeakPolarHBondContact O-CB 3.48Å; H119-C122 PolarHBondContact O-N 3.18Å; H119-V123 PolarHBondContact O-N 2.91Å |
| 120 | R | 97.6 | Very high | 95 | Very high | 46 Ų | 46 | 50.1 Ų | 50.1 | 17% | 0.174 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -48.5 | -46.4 | 176.3 | -177.6 | -167 | 62 | 85.4 | -10.8 | 111.6 | Q106 F118 C122 V123 G124 L125 W130 | Q106-R120 HydrophobicContact CB-CB 3.96Å; Q106-R120 WeakPolarHBondContact O-CB 3.46Å; Q106-R120 PolarHBondContact O-N 3.32Å; F118-R120 PolarHBondContact O-N 2.9Å; R120-C122 VanDerWaalsContact C-N 3.34Å; R120-C122 PolarHBondContact O-N 3.43Å; R120-V123 VanDerWaalsContact O-CG2 3.3Å; R120-V123 WeakPolarHBondContact O-CG2 3.5Å; R120-V123 PolarHBondContact O-N 2.8Å; R120-G124 PolarHBondContact O-N 3.23Å; R120-L125 WeakPolarHBondContact CD-O 3.41Å; R120-L125 HydrophobicContact CG-CB 3.89Å; R120-L125 HydrophobicContact CG-CG 4.45Å; R120-L125 WeakPolarHBondContact CG-O 3.4Å; R120-L125 PolarHBondContact NH1-O 3.32Å; R120-L125 PolarHBondContact O-N 3.21Å; R120-W130 HydrophobicContact CG-CB 4.04Å; R120-W130 HydrophobicContact CG-CG 4.14Å |
| 121 | T | 97.7 | Very high | 95.1 | Very high | 96 Ų | 96 | 52.9 Ų | 52.9 | 59% | 0.589 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -67.4 | -30.8 | -179.5 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | H119 V123 G124 | H119-T121 PolarHBondContact O-N 2.94Å; T121-V123 VanDerWaalsContact C-N 3.27Å; T121-V123 PolarHBondContact O-N 3.45Å; T121-G124 PolarHBondContact O-N 3.33Å |
| 122 | C | 97.5 | Very high | 95.3 | Very high | 29 Ų | 29 | 57 Ų | 57 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -71 | -22.2 | 178.1 | -73.3 | 0 | 0 | 0 | 0 | 113.5 | K96 C97 H119 R120 | K96-C122 HydrophobicContact CB-CB 3.95Å; K96-C122 HydrophobicContact CG-CB 4.15Å; C97-C122 VanDerWaalsContact SG-SG 3.67Å; H119-C122 HydrophobicContact CB-CB 4.04Å; H119-C122 WeakPolarHBondContact O-CB 3.48Å; H119-C122 PolarHBondContact O-N 3.18Å; R120-C122 VanDerWaalsContact C-N 3.34Å; R120-C122 PolarHBondContact O-N 3.43Å |
| 123 | V | 97.1 | Very high | 95.8 | Very high | 40 Ų | 40 | 53.8 Ų | 53.8 | 24% | 0.242 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -106.9 | 4.3 | 177.9 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | I108 F118 H119 R120 T121 L125 W141 | I108-V123 HydrophobicContact CG2-CG2 4.22Å; F118-V123 HydrophobicContact CB-CG1 3.64Å; F118-V123 HydrophobicContact CD1-CG1 3.72Å; F118-V123 HydrophobicContact CG-CG1 3.85Å; H119-V123 PolarHBondContact O-N 2.91Å; R120-V123 VanDerWaalsContact O-CG2 3.3Å; R120-V123 WeakPolarHBondContact O-CG2 3.5Å; R120-V123 PolarHBondContact O-N 2.8Å; T121-V123 VanDerWaalsContact C-N 3.27Å; T121-V123 PolarHBondContact O-N 3.45Å; V123-L125 VanDerWaalsContact C-N 3.27Å; V123-L125 HydrophobicContact CG2-CB 4.14Å; V123-L125 PolarHBondContact O-N 3.4Å; V123-W141 HydrophobicContact CB-CH2 4.32Å; V123-W141 HydrophobicContact CB-CZ2 3.93Å; V123-W141 HydrophobicContact CG1-CH2 3.75Å; V123-W141 HydrophobicContact CG1-CZ2 3.87Å; V123-W141 HydrophobicContact CG2-CH2 4.48Å; V123-W141 HydrophobicContact CG2-CZ2 4.06Å |
| 124 | G | 96.9 | Very high | 96 | Very high | 66 Ų | 66 | 56.3 Ų | 56.3 | 68% | 0.68 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 20.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R120 T121 | R120-G124 PolarHBondContact O-N 3.23Å; T121-G124 PolarHBondContact O-N 3.33Å |
| 125 | L | 96.4 | Very high | 96.1 | Very high | 29 Ų | 29 | 58.9 Ų | 58.9 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | trans | -77.3 | 127.7 | 179.4 | -171.5 | 64.9 | 0 | 0 | 0 | 109.7 | I108 R120 V123 A129 W130 I133 | I108-L125 HydrophobicContact CD1-CD2 3.84Å; R120-L125 WeakPolarHBondContact CD-O 3.41Å; R120-L125 HydrophobicContact CG-CB 3.89Å; R120-L125 HydrophobicContact CG-CG 4.45Å; R120-L125 WeakPolarHBondContact CG-O 3.4Å; R120-L125 PolarHBondContact NH1-O 3.32Å; R120-L125 PolarHBondContact O-N 3.21Å; V123-L125 VanDerWaalsContact C-N 3.27Å; V123-L125 HydrophobicContact CG2-CB 4.14Å; V123-L125 PolarHBondContact O-N 3.4Å; L125-A129 HydrophobicContact CD1-CB 3.68Å; L125-A129 HydrophobicContact CG-CB 4.25Å; L125-W130 HydrophobicContact CD2-CB 3.7Å; L125-W130 HydrophobicContact CD2-CG 4.29Å; L125-W130 HydrophobicContact CG-CB 4.12Å; L125-I133 HydrophobicContact CD1-CD1 4.28Å; L125-I133 HydrophobicContact CD2-CD1 4.17Å | ||
| 126 | I | 97.2 | Very high | 96.2 | Very high | 105 Ų | 105 | 58.7 Ų | 58.7 | 54% | 0.538 | 32% | 0.317 | S | S | . | . | trans | -66.3 | 155 | 173.1 | 62.6 | 170.9 | 0 | 0 | 0 | 110.5 | E128 A129 W130 | I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 HydrophobicContact CD1-CB 4.49Å; I126-E128 PolarHBondContact O-N 3.37Å; I126-A129 HydrophobicContact CD1-CB 4.2Å; I126-A129 HydrophobicContact CG1-CB 3.5Å; I126-A129 VanDerWaalsContact CG1-CB 3.5Å; I126-A129 PolarHBondContact O-N 3.41Å; I126-W130 PolarHBondContact O-N 2.81Å | ||
| 127 | E | 96.4 | Very high | 96 | Very high | 82 Ų | 82 | 62.6 Ų | 62.6 | 38% | 0.383 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | -174 | -178.5 | 161.2 | -150 | 0 | 0 | 112.2 | Q106 A129 W130 H131 | Q106-E127 PolarHBondContact NE2-OE1 3Å; E127-A129 PolarHBondContact O-N 3.16Å; E127-W130 WeakPolarHBondContact O-CB 3.47Å; E127-W130 PolarHBondContact O-N 2.81Å; E127-H131 PolarHBondContact O-CD2 3.31Å; E127-H131 PolarHBondContact O-N 3.31Å |
| 128 | E | 96.6 | Very high | 95.8 | Very high | 122 Ų | 122 | 71 Ų | 71 | 57% | 0.57 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.2 | -43.4 | 178.8 | -61.1 | 74.8 | -164.3 | 0 | 0 | 111.7 | I126 W130 H131 M132 | I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 HydrophobicContact CD1-CB 4.49Å; I126-E128 PolarHBondContact O-N 3.37Å; E128-W130 VanDerWaalsContact C-N 3.34Å; E128-H131 PolarHBondContact O-N 2.89Å; E128-M132 WeakPolarHBondContact O-CG 3.22Å; E128-M132 PolarHBondContact O-N 3.24Å |
| 129 | A | 96.1 | Very high | 95.5 | Very high | 26 Ų | 26 | 72.3 Ų | 72.3 | 22% | 0.215 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L125 I126 E127 M132 I133 | L125-A129 HydrophobicContact CD1-CB 3.68Å; L125-A129 HydrophobicContact CG-CB 4.25Å; I126-A129 HydrophobicContact CD1-CB 4.2Å; I126-A129 HydrophobicContact CG1-CB 3.5Å; I126-A129 VanDerWaalsContact CG1-CB 3.5Å; I126-A129 PolarHBondContact O-N 3.41Å; E127-A129 PolarHBondContact O-N 3.16Å; A129-M132 PolarHBondContact O-N 3.32Å; A129-I133 VanDerWaalsContact O-CG1 3.32Å; A129-I133 WeakPolarHBondContact O-CG1 3.31Å; A129-I133 PolarHBondContact O-N 3.36Å; A129-I133 VanDerWaalsContact O-N 3.07Å |
| 130 | W | 97.1 | Very high | 95.2 | Very high | 16 Ų | 16 | 75 Ų | 75 | 6% | 0.061 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.1 | -49 | 172.7 | 178.3 | 79.8 | 0 | 0 | 0 | 111.1 | P27 Q106 A107 R120 L125 I126 E127 E128 M132 I133 V134 | P27-W130 HydrophobicContact CB-CH2 4.44Å; P27-W130 HydrophobicContact CB-CZ3 4.39Å; P27-W130 HydrophobicContact CG-CH2 4.37Å; P27-W130 HydrophobicContact CG-CZ3 4.31Å; Q106-W130 HydrophobicContact CB-CZ2 4.31Å; Q106-W130 HydrophobicContact CG-CH2 4.21Å; Q106-W130 HydrophobicContact CG-CZ2 4.42Å; Q106-W130 HydrophobicContact CG-CZ3 4.24Å; A107-W130 PolarHBondContact O-NE1 2.01Å; R120-W130 HydrophobicContact CG-CB 4.04Å; R120-W130 HydrophobicContact CG-CG 4.14Å; L125-W130 HydrophobicContact CD2-CB 3.7Å; L125-W130 HydrophobicContact CD2-CG 4.29Å; L125-W130 HydrophobicContact CG-CB 4.12Å; I126-W130 PolarHBondContact O-N 2.81Å; E127-W130 WeakPolarHBondContact O-CB 3.47Å; E127-W130 PolarHBondContact O-N 2.81Å; E128-W130 VanDerWaalsContact C-N 3.34Å; W130-M132 VanDerWaalsContact C-N 3.31Å; W130-M132 PolarHBondContact O-N 3.4Å; W130-I133 PolarHBondContact O-N 2.79Å; W130-V134 HydrophobicContact CD2-CG1 4.18Å; W130-V134 HydrophobicContact CD2-CG2 4.35Å; W130-V134 HydrophobicContact CE3-CG2 4.35Å; W130-V134 HydrophobicContact CG-CG1 4.37Å; W130-V134 HydrophobicContact CH2-CG2 4.27Å; W130-V134 HydrophobicContact CZ2-CG1 4Å; W130-V134 HydrophobicContact CZ2-CG2 4.25Å; W130-V134 HydrophobicContact CZ3-CG2 4.33Å; W130-V134 WeakPolarHBondContact O-CG1 3.31Å; W130-V134 WeakPolarHBondContact O-CG2 3.36Å; W130-V134 PolarHBondContact O-N 3.31Å |
| 131 | H | 96.5 | Very high | 95.1 | Very high | 59 Ų | 59 | 74.6 Ų | 74.6 | 27% | 0.273 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.2 | -40.5 | 176.2 | -79.9 | -59.7 | 0 | 0 | 0 | 113.2 | E127 E128 N135 | E127-H131 PolarHBondContact O-CD2 3.31Å; E127-H131 PolarHBondContact O-N 3.31Å; E128-H131 PolarHBondContact O-N 2.89Å; H131-N135 VanDerWaalsContact O-CB 3.24Å; H131-N135 WeakPolarHBondContact O-CB 3.14Å; H131-N135 VanDerWaalsContact O-CG 3.26Å; H131-N135 PolarHBondContact O-N 3.44Å; H131-N135 PolarHBondContact O-ND2 2.83Å |
| 132 | M | 95.8 | Very high | 95 | Very high | 143 Ų | 143 | 71.1 Ų | 71.1 | 70% | 0.704 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.3 | -43.6 | 176.8 | -72.4 | 178.8 | 67.1 | 0 | 0 | 111.8 | E128 A129 W130 E136 | E128-M132 WeakPolarHBondContact O-CG 3.22Å; E128-M132 PolarHBondContact O-N 3.24Å; A129-M132 PolarHBondContact O-N 3.32Å; W130-M132 VanDerWaalsContact C-N 3.31Å; W130-M132 PolarHBondContact O-N 3.4Å; M132-E136 WeakPolarHBondContact O-CB 3.4Å; M132-E136 PolarHBondContact O-N 3.03Å |
| 133 | I | 94.8 | Very high | 94.9 | Very high | 41 Ų | 41 | 70.2 Ų | 70.2 | 21% | 0.21 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.8 | -48.4 | -177.6 | -63.8 | 162.1 | 0 | 0 | 0 | 111.3 | I108 L125 A129 W130 N135 E136 A139 W141 | I108-I133 HydrophobicContact CD1-CB 4.41Å; I108-I133 HydrophobicContact CD1-CD1 4.24Å; I108-I133 HydrophobicContact CD1-CG2 3.96Å; L125-I133 HydrophobicContact CD1-CD1 4.28Å; L125-I133 HydrophobicContact CD2-CD1 4.17Å; A129-I133 VanDerWaalsContact O-CG1 3.32Å; A129-I133 WeakPolarHBondContact O-CG1 3.31Å; A129-I133 PolarHBondContact O-N 3.36Å; A129-I133 VanDerWaalsContact O-N 3.07Å; W130-I133 PolarHBondContact O-N 2.79Å; I133-N135 PolarHBondContact O-N 3.5Å; I133-E136 PolarHBondContact O-N 2.83Å; I133-A139 HydrophobicContact CG2-CB 4.36Å; I133-W141 HydrophobicContact CG2-CB 4.21Å |
| 134 | V | 93.9 | Very high | 94.7 | Very high | 61 Ų | 61 | 73.7 Ų | 73.7 | 37% | 0.37 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -70.1 | -21.7 | -175.3 | -58.2 | 0 | 0 | 0 | 0 | 113.6 | W130 | W130-V134 HydrophobicContact CD2-CG1 4.18Å; W130-V134 HydrophobicContact CD2-CG2 4.35Å; W130-V134 HydrophobicContact CE3-CG2 4.35Å; W130-V134 HydrophobicContact CG-CG1 4.37Å; W130-V134 HydrophobicContact CH2-CG2 4.27Å; W130-V134 HydrophobicContact CZ2-CG1 4Å; W130-V134 HydrophobicContact CZ2-CG2 4.25Å; W130-V134 HydrophobicContact CZ3-CG2 4.33Å; W130-V134 WeakPolarHBondContact O-CG1 3.31Å; W130-V134 WeakPolarHBondContact O-CG2 3.36Å; W130-V134 PolarHBondContact O-N 3.31Å |
| 135 | N | 94.9 | Very high | 94.5 | Very high | 98 Ų | 98 | 74 Ų | 74 | 52% | 0.524 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -95.2 | -10.1 | 178.2 | -68 | -37 | 0 | 0 | 0 | 113.5 | H131 I133 P137 | H131-N135 VanDerWaalsContact O-CB 3.24Å; H131-N135 WeakPolarHBondContact O-CB 3.14Å; H131-N135 VanDerWaalsContact O-CG 3.26Å; H131-N135 PolarHBondContact O-N 3.44Å; H131-N135 PolarHBondContact O-ND2 2.83Å; I133-N135 PolarHBondContact O-N 3.5Å; N135-P137 WeakPolarHBondContact O-CD 3.47Å |
| 136 | E | 94.5 | Very high | 94.4 | Very high | 94 Ų | 94 | 73.1 Ų | 73.1 | 44% | 0.439 | 39% | 0.385 | S | S | . | . | trans | -99 | 106.7 | -179.8 | -178.6 | 58.3 | -131.2 | 0 | 0 | 109.3 | M132 I133 Y138 A139 | M132-E136 WeakPolarHBondContact O-CB 3.4Å; M132-E136 PolarHBondContact O-N 3.03Å; I133-E136 PolarHBondContact O-N 2.83Å; E136-Y138 PolarHBondContact O-N 2.85Å; E136-Y138 VanDerWaalsContact O-N 3.07Å; E136-Y138 WeakPolarHBondContact OE1-CD2 3.43Å; E136-A139 HydrophobicContact CB-CB 3.7Å; E136-A139 HydrophobicContact CG-CB 3.69Å; E136-A139 PolarHBondContact O-N 3.43Å | ||
| 137 | P | 90.5 | Very high | 94.2 | Very high | 109 Ų | 109 | 71 Ų | 71 | 71% | 0.708 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -19.2 | -172.2 | 26.4 | -35.5 | 0 | 0 | 0 | 113.8 | N135 | N135-P137 WeakPolarHBondContact O-CD 3.47Š|
| 138 | Y | 89.6 | Confident | 93.9 | Very high | 197 Ų | 197 | 73.2 Ų | 73.2 | 77% | 0.773 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -6.2 | 177.5 | -57.2 | -68.5 | 0 | 0 | 0 | 113.3 | E136 | E136-Y138 PolarHBondContact O-N 2.85Å; E136-Y138 VanDerWaalsContact O-N 3.07Å; E136-Y138 WeakPolarHBondContact OE1-CD2 3.43Å |
| 139 | A | 91.5 | Very high | 93.7 | Very high | 40 Ų | 40 | 71.1 Ų | 71.1 | 33% | 0.331 | 40% | 0.397 | S | S | . | . | trans | -87.6 | 135.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | I133 E136 | I133-A139 HydrophobicContact CG2-CB 4.36Å; E136-A139 HydrophobicContact CB-CB 3.7Å; E136-A139 HydrophobicContact CG-CB 3.69Å; E136-A139 PolarHBondContact O-N 3.43Å | ||
| 140 | E | 91.6 | Very high | 93.2 | Very high | 75 Ų | 75 | 75.4 Ų | 75.4 | 35% | 0.35 | 41% | 0.41 | S | S | . | . | trans | -127.7 | 141.9 | 174.5 | -65.7 | 177.6 | -163.9 | 0 | 0 | 109.8 | Y111 R112 | Y111-E140 HydrophobicContact CD1-CG 3.98Å; Y111-E140 WeakPolarHBondContact CD1-OE2 3.29Å; Y111-E140 HydrophobicContact CG-CG 4.33Å; R112-E140 WeakPolarHBondContact CD-OE2 3.15Å; R112-E140 WeakPolarHBondContact CG-OE2 3.39Å; R112-E140 IonicContact CZ-OE1 2.63Å; R112-E140 IonicContact CZ-OE2 2.93Å; R112-E140 IonicContact NE-OE1 3.3Å; R112-E140 IonicContact NE-OE2 3.94Å; R112-E140 PolarHBondContact NE-OE2 3.34Å; R112-E140 IonicContact NH2-OE1 3.33Å; R112-E140 PolarHBondContact NH2-OE1 2.97Å; R112-E140 IonicContact NH2-OE2 3.64Å; R112-E140 PolarHBondContact NH2-OE2 3.13Å | ||
| 141 | W | 94.8 | Very high | 92.4 | Very high | 38 Ų | 38 | 83.4 Ų | 83.4 | 14% | 0.144 | 45% | 0.448 | C | S | . | . | trans | -104.8 | 146.3 | 174.1 | -179.4 | 85.5 | 0 | 0 | 0 | 111.8 | I108 C110 Y111 F118 V123 I133 C143 | I108-W141 HydrophobicContact CB-CE3 4.44Å; I108-W141 HydrophobicContact CD1-CB 3.37Å; I108-W141 HydrophobicContact CD1-CD2 3.93Å; I108-W141 HydrophobicContact CD1-CE3 4.4Å; I108-W141 HydrophobicContact CD1-CG 3.46Å; I108-W141 VanDerWaalsContact CD1-CG 3.46Å; I108-W141 HydrophobicContact CG1-CB 3.8Å; I108-W141 HydrophobicContact CG1-CD2 4.04Å; I108-W141 HydrophobicContact CG1-CE3 3.99Å; I108-W141 HydrophobicContact CG1-CG 3.98Å; I108-W141 HydrophobicContact CG2-CD2 3.99Å; I108-W141 HydrophobicContact CG2-CE3 3.79Å; I108-W141 HydrophobicContact CG2-CH2 4.27Å; I108-W141 HydrophobicContact CG2-CZ2 4.47Å; I108-W141 HydrophobicContact CG2-CZ3 3.94Å; C110-W141 WeakPolarHBondContact CA-O 3.37Å; C110-W141 HydrophobicContact CB-CE3 4.28Å; C110-W141 HydrophobicContact CB-CZ3 3.9Å; Y111-W141 PolarHBondContact N-O 3.25Å; F118-W141 HydrophobicContact CB-CH2 4.33Å; F118-W141 HydrophobicContact CB-CZ3 4.49Å; F118-W141 AromaticContact CD2-CH2 3.76Å; F118-W141 HydrophobicContact CD2-CH2 3.76Å; F118-W141 AromaticContact CD2-CZ3 3.52Å; F118-W141 HydrophobicContact CD2-CZ3 3.52Å; F118-W141 HydrophobicContact CE2-CH2 4.19Å; F118-W141 AromaticContact CE2-CZ3 3.98Å; F118-W141 HydrophobicContact CE2-CZ3 3.98Å; F118-W141 AromaticContact CG-CH2 3.97Å; F118-W141 HydrophobicContact CG-CH2 3.97Å; F118-W141 HydrophobicContact CG-CZ3 4.15Å; V123-W141 HydrophobicContact CB-CH2 4.32Å; V123-W141 HydrophobicContact CB-CZ2 3.93Å; V123-W141 HydrophobicContact CG1-CH2 3.75Å; V123-W141 HydrophobicContact CG1-CZ2 3.87Å; V123-W141 HydrophobicContact CG2-CH2 4.48Å; V123-W141 HydrophobicContact CG2-CZ2 4.06Å; I133-W141 HydrophobicContact CG2-CB 4.21Å; W141-C143 HydrophobicContact CH2-CB 3.44Å; W141-C143 VanDerWaalsContact CH2-CB 3.44Å; W141-C143 HydrophobicContact CZ2-CB 4.1Å; W141-C143 HydrophobicContact CZ3-CB 3.9Å | ||
| 142 | V | 95 | Very high | 91.8 | Very high | 24 Ų | 24 | 81.6 Ų | 81.6 | 15% | 0.145 | 44% | 0.44 | C | S | . | . | trans | -134.4 | 131.2 | -179 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | R112 C146 L147 I152 | R112-V142 HydrophobicContact CB-CG2 4.13Å; V142-C146 HydrophobicContact CG1-CB 3.75Å; V142-L147 HydrophobicContact CG1-CB 4.26Å; V142-I152 HydrophobicContact CB-CD1 4.49Å; V142-I152 HydrophobicContact CG1-CD1 3.45Å; V142-I152 VanDerWaalsContact CG1-CD1 3.45Å; V142-I152 HydrophobicContact CG2-CD1 4.23Å; V142-I152 HydrophobicContact CG2-CG2 4.27Å | ||
| 143 | C | 95.5 | Very high | 91.2 | Very high | 10 Ų | 10 | 78.6 Ų | 78.6 | 7% | 0.068 | 43% | 0.432 | C | S | . | . | trans | -69.8 | 151.2 | 176.7 | 72.9 | 0 | 0 | 0 | 0 | 112.1 | C110 F118 W141 A145 C146 L147 | C110-C143 HydrophobicContact CB-CB 4.25Å; C110-C143 PolarHBondContact SG-N 3.01Å; F118-C143 HydrophobicContact CE2-CB 4.08Å; F118-C143 HydrophobicContact CZ-CB 3.95Å; W141-C143 HydrophobicContact CH2-CB 3.44Å; W141-C143 VanDerWaalsContact CH2-CB 3.44Å; W141-C143 HydrophobicContact CZ2-CB 4.1Å; W141-C143 HydrophobicContact CZ3-CB 3.9Å; C143-A145 VanDerWaalsContact C-N 3.25Å; C143-A145 PolarHBondContact O-N 3Å; C143-A145 VanDerWaalsContact O-N 3.13Å; C143-C146 PolarHBondContact O-N 3.3Å; C143-C146 VanDerWaalsContact SG-SG 3.64Å; C143-L147 PolarHBondContact O-N 3.21Å | ||
| 144 | D | 93.2 | Very high | 90.7 | Very high | 113 Ų | 113 | 85.3 Ų | 85.3 | 60% | 0.604 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -51.5 | -42.4 | -176.5 | -56 | -25.4 | 0 | 0 | 0 | 113.3 | C146 L147 V148 | D144-C146 VanDerWaalsContact C-N 3.31Å; D144-C146 PolarHBondContact O-N 3.19Å; D144-L147 PolarHBondContact O-N 2.86Å; D144-V148 WeakPolarHBondContact O-CG2 3.38Å; D144-V148 PolarHBondContact O-N 3Å |
| 145 | A | 93.3 | Very high | 90.2 | Very high | 73 Ų | 73 | 87.1 Ų | 87.1 | 60% | 0.603 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.7 | -40.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C143 A149 | C143-A145 VanDerWaalsContact C-N 3.25Å; C143-A145 PolarHBondContact O-N 3Å; C143-A145 VanDerWaalsContact O-N 3.13Å; A145-A149 WeakPolarHBondContact O-CB 3.45Å; A145-A149 PolarHBondContact O-N 3.45Å; A145-A149 VanDerWaalsContact O-N 3.1Å |
| 146 | C | 94.7 | Very high | 89.5 | Confident | 9 Ų | 9 | 85.8 Ų | 85.8 | 6% | 0.061 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -76.4 | -35.9 | 177.4 | -72.6 | 0 | 0 | 0 | 0 | 112.1 | G113 C114 V142 C143 D144 V148 A149 K150 I152 | G113-C146 WeakPolarHBondContact CA-SG 3.33Å; C114-C146 PolarHBondContact N-SG 2.95Å; V142-C146 HydrophobicContact CG1-CB 3.75Å; C143-C146 PolarHBondContact O-N 3.3Å; C143-C146 VanDerWaalsContact SG-SG 3.64Å; D144-C146 VanDerWaalsContact C-N 3.31Å; D144-C146 PolarHBondContact O-N 3.19Å; C146-V148 VanDerWaalsContact C-N 3.31Å; C146-V148 PolarHBondContact O-N 3.01Å; C146-A149 PolarHBondContact O-N 2.85Å; C146-K150 VanDerWaalsContact O-CB 3.31Å; C146-K150 WeakPolarHBondContact O-CB 3.09Å; C146-K150 PolarHBondContact O-N 2.74Å; C146-I152 HydrophobicContact CB-CD1 4.21Å |
| 147 | L | 91.8 | Very high | 88.9 | Confident | 62 Ų | 62 | 90.3 Ų | 90.3 | 33% | 0.325 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59 | -45.6 | 175.8 | -175.9 | 63.5 | 0 | 0 | 0 | 110.9 | V142 C143 D144 F154 | V142-L147 HydrophobicContact CG1-CB 4.26Å; C143-L147 PolarHBondContact O-N 3.21Å; D144-L147 PolarHBondContact O-N 2.86Å; L147-F154 HydrophobicContact CD1-CD1 4.5Å; L147-F154 HydrophobicContact CD1-CE1 3.78Å; L147-F154 HydrophobicContact CD1-CZ 4.2Å; L147-F154 HydrophobicContact CD2-CE1 4.18Å |
| 148 | V | 90.7 | Very high | 88.1 | Confident | 127 Ų | 127 | 90.2 Ų | 90.2 | 77% | 0.77 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.9 | -44.7 | 177.6 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | D144 C146 | D144-V148 WeakPolarHBondContact O-CG2 3.38Å; D144-V148 PolarHBondContact O-N 3Å; C146-V148 VanDerWaalsContact C-N 3.31Å; C146-V148 PolarHBondContact O-N 3.01Å |
| 149 | A | 92.5 | Very high | 87.1 | Confident | 79 Ų | 79 | 88.7 Ų | 88.7 | 65% | 0.653 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -80.4 | -31.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A145 C146 | A145-A149 WeakPolarHBondContact O-CB 3.45Å; A145-A149 PolarHBondContact O-N 3.45Å; A145-A149 VanDerWaalsContact O-N 3.1Å; C146-A149 PolarHBondContact O-N 2.85Å |
| 150 | K | 84.2 | Confident | 85.7 | Confident | 116 Ų | 116 | 95 Ų | 95 | 50% | 0.504 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -110.3 | 7.4 | -164.2 | -61.3 | -170.4 | 177.2 | -164.7 | 0 | 115.1 | G113 C146 I152 | G113-K150 PolarHBondContact O-NZ 2.95Å; C146-K150 VanDerWaalsContact O-CB 3.31Å; C146-K150 WeakPolarHBondContact O-CB 3.09Å; C146-K150 PolarHBondContact O-N 2.74Å; K150-I152 HydrophobicContact CB-CD1 3.9Å; K150-I152 HydrophobicContact CB-CG1 3.77Å; K150-I152 HydrophobicContact CD-CD1 4.5Å; K150-I152 PolarHBondContact O-N 2.91Å; K150-I152 VanDerWaalsContact O-N 3.17Å |
| 151 | Q | 82.2 | Confident | 85.4 | Confident | 183 Ų | 183 | 96 Ų | 96 | 86% | 0.855 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.7 | 47.2 | -178 | -63.8 | -173.4 | -5.5 | 0 | 0 | 112.7 | ||
| 152 | I | 82.4 | Confident | 84.9 | Confident | 21 Ų | 21 | 99.1 Ų | 99.1 | 11% | 0.108 | 56% | 0.555 | C | S | . | * | trans | -73 | 125.6 | -174.2 | -63.8 | 164 | 0 | 0 | 0 | 108.7 | R112 V142 C146 K150 | R112-I152 HydrophobicContact CB-CD1 4.02Å; R112-I152 HydrophobicContact CB-CG1 4.49Å; R112-I152 HydrophobicContact CB-CG2 4.16Å; V142-I152 HydrophobicContact CB-CD1 4.49Å; V142-I152 HydrophobicContact CG1-CD1 3.45Å; V142-I152 VanDerWaalsContact CG1-CD1 3.45Å; V142-I152 HydrophobicContact CG2-CD1 4.23Å; V142-I152 HydrophobicContact CG2-CG2 4.27Å; C146-I152 HydrophobicContact CB-CD1 4.21Å; K150-I152 HydrophobicContact CB-CD1 3.9Å; K150-I152 HydrophobicContact CB-CG1 3.77Å; K150-I152 HydrophobicContact CD-CD1 4.5Å; K150-I152 PolarHBondContact O-N 2.91Å; K150-I152 VanDerWaalsContact O-N 3.17Å | ||
| 153 | P | 82.8 | Confident | 84.3 | Confident | 80 Ų | 80 | 103.2 Ų | 103.2 | 52% | 0.519 | 58% | 0.578 | S | S | . | * | trans | -65.4 | 136.8 | 178.3 | 27 | -34.3 | 0 | 0 | 0 | 110.4 | V155 I156 | P153-V155 VanDerWaalsContact C-N 3.27Å; P153-V155 PolarHBondContact O-N 3.5Å; P153-I156 HydrophobicContact CG-CD1 4.32Å; P153-I156 HydrophobicContact CG-CG1 3.93Å | ||
| 154 | F | 85.3 | Confident | 83.7 | Confident | 182 Ų | 182 | 108.7 Ų | 108.7 | 80% | 0.798 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -68.4 | -26.8 | 179.5 | -66.5 | -68.8 | 0 | 0 | 0 | 113.5 | L147 | L147-F154 HydrophobicContact CD1-CD1 4.5Å; L147-F154 HydrophobicContact CD1-CE1 3.78Å; L147-F154 HydrophobicContact CD1-CZ 4.2Å; L147-F154 HydrophobicContact CD2-CE1 4.18Å |
| 155 | V | 82.2 | Confident | 83.1 | Confident | 99 Ų | 99 | 108.4 Ų | 108.4 | 60% | 0.6 | 61% | 0.608 | S | S | * | * | trans | -133.9 | 132.5 | -179.4 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | P153 F157 | P153-V155 VanDerWaalsContact C-N 3.27Å; P153-V155 PolarHBondContact O-N 3.5Å; V155-F157 HydrophobicContact CG1-CE1 4.26Å; V155-F157 HydrophobicContact CG1-CE2 4.32Å; V155-F157 HydrophobicContact CG1-CZ 4.05Å | ||
| 156 | I | 82 | Confident | 82.4 | Confident | 70 Ų | 70 | 110.8 Ų | 110.8 | 36% | 0.359 | 61% | 0.608 | S | S | . | * | trans | -119 | 119.2 | -179 | -60.8 | 173.8 | 0 | 0 | 0 | 107.2 | P153 T158 | P153-I156 HydrophobicContact CG-CD1 4.32Å; P153-I156 HydrophobicContact CG-CG1 3.93Å; I156-T158 HydrophobicContact CG2-CG2 4.43Å; I156-T158 PolarHBondContact O-N 2.69Å | ||
| 157 | F | 82 | Confident | 81.5 | Confident | 190 Ų | 190 | 118.1 Ų | 118.1 | 83% | 0.833 | 65% | 0.648 | S | S | * | * | trans | -85.4 | 103.6 | 175 | -61.2 | -77.9 | 0 | 0 | 0 | 108.5 | V155 | V155-F157 HydrophobicContact CG1-CE1 4.26Å; V155-F157 HydrophobicContact CG1-CE2 4.32Å; V155-F157 HydrophobicContact CG1-CZ 4.05Å | ||
| 158 | T | 73.9 | Confident | 80.7 | Confident | 106 Ų | 106 | 122.4 Ų | 122.4 | 65% | 0.65 | 67% | 0.672 | S | S | * | * | trans | -84.4 | 112.5 | 166.7 | 55.2 | 0 | 0 | 0 | 0 | 107.9 | I156 S160 | I156-T158 HydrophobicContact CG2-CG2 4.43Å; I156-T158 PolarHBondContact O-N 2.69Å; T158-S160 PolarHBondContact O-N 3.24Å; T158-S160 VanDerWaalsContact O-N 3.12Å | ||
| 159 | N | 68.6 | Low | 79.9 | Confident | 166 Ų | 166 | 122 Ų | 122 | 89% | 0.888 | 66% | 0.664 | S | S | * | * | trans | -67.1 | 112.6 | 173.5 | -159.1 | 85.7 | 0 | 0 | 0 | 108 | ||||
| 160 | S | 60.7 | Low | 78.7 | Confident | 172 Ų | 172 | 125.9 Ų | 125.9 | 100% | 1.203 | 67% | 0.665 | S | S | * | * | trans | -68 | 0 | 173 | -48.8 | 0 | 0 | 0 | 0 | 111.7 | T158 | T158-S160 PolarHBondContact O-N 3.24Å; T158-S160 VanDerWaalsContact O-N 3.12Å |
Retrieved 160 of 160 residues in 97.8 ms
(Link to these results)