| 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 | 50.2 | Low | 55 | Low | 234 Ų | 234 | 152.1 Ų | 152.1 | 100% | 1.153 | 82% | 0.821 | S | S | * | * | 0 | 118.7 | 0 | -79.4 | 176.7 | 170.4 | 0 | 0 | 108.6 | K3 | M1-K3 PolarHBondContact O-N 2.93Š| |||
| 2 | P | 52.1 | Low | 55 | Low | 132 Ų | 132 | 151.7 Ų | 151.7 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -73.9 | 121.6 | -179.5 | -3.2 | 19.8 | 0 | 0 | 0 | 109.3 | N4 | P2-N4 PolarHBondContact O-N 3.38Š| ||
| 3 | K | 52.5 | Low | 55.6 | Low | 205 Ų | 205 | 157.8 Ų | 157.8 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | -76.2 | 116.3 | 172.3 | -81.2 | -179.4 | 177.4 | 173.6 | 0 | 108.3 | M1 K5 | M1-K3 PolarHBondContact O-N 2.93Å; K3-K5 PolarHBondContact O-N 3.44Å | ||
| 4 | N | 50.7 | Low | 55.9 | Low | 162 Ų | 162 | 165.3 Ų | 165.3 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | trans | -55.3 | 105.3 | 172 | -103.8 | 22 | 0 | 0 | 0 | 110.2 | P2 G6 | P2-N4 PolarHBondContact O-N 3.38Å; N4-G6 PolarHBondContact O-N 3.47Å | ||
| 5 | K | 53.5 | Low | 56.1 | Low | 213 Ų | 213 | 158.4 Ų | 158.4 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | trans | -76.5 | 59.5 | 168.3 | -127.8 | 177.1 | -172.9 | 179.5 | 0 | 108.5 | K3 K7 | K3-K5 PolarHBondContact O-N 3.44Å; K5-K7 PolarHBondContact O-N 3.1Å | ||
| 6 | G | 57.4 | Low | 56.2 | Low | 56 Ų | 56 | 159.4 Ų | 159.4 | 58% | 0.577 | 80% | 0.803 | S | S | * | * | trans | -65.2 | 130.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | N4 G8 | N4-G6 PolarHBondContact O-N 3.47Å; G6-G8 PolarHBondContact O-N 3.23Å | ||
| 7 | K | 56.5 | Low | 56 | Low | 177 Ų | 177 | 159.8 Ų | 159.8 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -68.4 | 67.5 | 172.3 | -82.7 | -171.9 | 169.2 | 171.8 | 0 | 110.7 | K5 R12 | K5-K7 PolarHBondContact O-N 3.1Å; K7-R12 VanDerWaalsContact CB-NH1 3.29Å; K7-R12 VanDerWaalsContact CD-NH2 3.31Å; K7-R12 VanDerWaalsContact CG-NH2 3.28Å; K7-R12 WeakPolarHBondContact O-CD 3.4Å |
| 8 | G | 60.3 | Low | 56 | Low | 63 Ų | 63 | 156.5 Ų | 156.5 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | -178.8 | 65.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G6 | G6-G8 PolarHBondContact O-N 3.23Š| ||
| 9 | G | 60.2 | Low | 56 | Low | 51 Ų | 51 | 153.1 Ų | 153.1 | 53% | 0.526 | 77% | 0.773 | S | S | . | * | trans | -90.7 | 156.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N11 R12 | G9-N11 PolarHBondContact O-N 2.89Å; G9-R12 VanDerWaalsContact O-CB 3.29Å; G9-R12 WeakPolarHBondContact O-CB 3.48Å; G9-R12 PolarHBondContact O-N 3.1Å | ||
| 10 | K | 58 | Low | 55.9 | Low | 222 Ų | 222 | 150.5 Ų | 150.5 | 97% | 0.965 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -9.8 | 175.2 | -70.7 | 177 | 179.3 | 174.2 | 0 | 114.4 | ||
| 11 | N | 53.3 | Low | 55.9 | Low | 158 Ų | 158 | 148.6 Ų | 148.6 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 6.2 | 175.2 | -63.9 | -5.6 | 0 | 0 | 0 | 113.6 | G9 R13 | G9-N11 PolarHBondContact O-N 2.89Å; N11-R13 PolarHBondContact O-N 2.73Å |
| 12 | R | 55.6 | Low | 56.4 | Low | 147 Ų | 147 | 143.6 Ų | 143.6 | 56% | 0.555 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -77.1 | 77.8 | 177.3 | -154 | 179.8 | -175.3 | 102.5 | 2.7 | 109.1 | K7 G9 | K7-R12 VanDerWaalsContact CB-NH1 3.29Å; K7-R12 VanDerWaalsContact CD-NH2 3.31Å; K7-R12 VanDerWaalsContact CG-NH2 3.28Å; K7-R12 WeakPolarHBondContact O-CD 3.4Å; G9-R12 VanDerWaalsContact O-CB 3.29Å; G9-R12 WeakPolarHBondContact O-CB 3.48Å; G9-R12 PolarHBondContact O-N 3.1Å |
| 13 | R | 61.8 | Low | 57 | Low | 232 Ų | 232 | 147.5 Ų | 147.5 | 88% | 0.875 | 74% | 0.736 | S | S | * | * | trans | 33.1 | 90.5 | 154.3 | -67.7 | -179.8 | 175.3 | 175.3 | -2.8 | 115 | N11 G15 | N11-R13 PolarHBondContact O-N 2.73Å; R13-G15 PolarHBondContact O-N 3.02Å | ||
| 14 | R | 60.9 | Low | 58.2 | Low | 262 Ų | 262 | 143.9 Ų | 143.9 | 99% | 0.989 | 72% | 0.717 | S | S | * | * | trans | -75.7 | 66.4 | 147.5 | -84.3 | -177.6 | 171.5 | 169.9 | -2.5 | 109 | ||||
| 15 | G | 58.2 | Low | 59.8 | Low | 62 Ų | 62 | 144.8 Ų | 144.8 | 64% | 0.639 | 72% | 0.716 | S | S | * | * | trans | -93.3 | 98 | 161.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | R13 N17 | R13-G15 PolarHBondContact O-N 3.02Å; G15-N17 VanDerWaalsContact C-N 3.29Å; G15-N17 PolarHBondContact O-N 2.95Å; G15-N17 VanDerWaalsContact O-N 3.11Å | ||
| 16 | K | 58.2 | Low | 61.4 | Low | 175 Ų | 175 | 136.5 Ų | 136.5 | 76% | 0.761 | 68% | 0.681 | S | S | * | * | trans | -76.4 | 96.9 | 165.1 | -147.2 | -176.1 | -176.4 | -157.6 | 0 | 104.1 | E18 | K16-E18 IonicContact NZ-OE1 3.6Å; K16-E18 PolarHBondContact O-N 3.47Å | ||
| 17 | N | 51.9 | Low | 63.1 | Low | 165 Ų | 165 | 137.1 Ų | 137.1 | 88% | 0.882 | 67% | 0.674 | S | S | * | * | trans | -70.6 | 81.8 | 176.8 | -150.9 | 21.3 | 0 | 0 | 0 | 106.5 | G15 N19 | G15-N17 VanDerWaalsContact C-N 3.29Å; G15-N17 PolarHBondContact O-N 2.95Å; G15-N17 VanDerWaalsContact O-N 3.11Å; N17-N19 PolarHBondContact O-N 3.31Å | ||
| 18 | E | 56.9 | Low | 64.8 | Low | 101 Ų | 101 | 132.7 Ų | 132.7 | 47% | 0.472 | 66% | 0.655 | S | S | . | * | trans | -78.1 | 114.6 | 167.3 | -78.4 | 178.4 | -176.5 | 0 | 0 | 105.1 | K16 E20 K68 | K16-E18 IonicContact NZ-OE1 3.6Å; K16-E18 PolarHBondContact O-N 3.47Å; E18-E20 VanDerWaalsContact C-N 3.32Å; E18-E20 PolarHBondContact O-N 2.96Å; E18-K68 IonicContact OE2-NZ 2.59Å; E18-K68 PolarHBondContact OE2-NZ 2.84Å | ||
| 19 | N | 55.7 | Low | 66.4 | Low | 92 Ų | 92 | 133.3 Ų | 133.3 | 49% | 0.492 | 64% | 0.64 | S | S | . | * | trans | -55.1 | 90.9 | -174.6 | -154.9 | 3.2 | 0 | 0 | 0 | 109.7 | N17 S21 E22 | N17-N19 PolarHBondContact O-N 3.31Å; N19-S21 PolarHBondContact O-N 3.15Å; N19-E22 PolarHBondContact ND2-OE1 3.3Å | ||
| 20 | E | 54.9 | Low | 68.1 | Low | 101 Ų | 101 | 137.3 Ų | 137.3 | 47% | 0.472 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.7 | -22 | 179.4 | 177.6 | 117 | -116.8 | 0 | 0 | 110.6 | E18 R24 | E18-E20 VanDerWaalsContact C-N 3.32Å; E18-E20 PolarHBondContact O-N 2.96Å; E20-R24 VanDerWaalsContact CD-NH2 3.34Å; E20-R24 PolarHBondContact O-NH2 2.75Å; E20-R24 IonicContact OE1-CZ 3.15Å; E20-R24 IonicContact OE1-NH1 3.69Å; E20-R24 IonicContact OE1-NH2 2.64Å; E20-R24 PolarHBondContact OE1-NH2 2.96Å |
| 21 | S | 55.8 | Low | 69.7 | Low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -7.8 | -175.4 | -55.3 | 0 | 0 | 0 | 0 | 115.4 | N19 K23 | N19-S21 PolarHBondContact O-N 3.15Å; S21-K23 PolarHBondContact O-N 3.06Å |
| 22 | E | 59.7 | Low | 71.6 | Confident | 129 Ų | 129 | 129.2 Ų | 129.2 | 60% | 0.603 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -72.2 | 122.5 | 171 | -89.4 | 170.3 | -149.7 | 0 | 0 | 109.4 | N19 R24 | N19-E22 PolarHBondContact ND2-OE1 3.3Å; E22-R24 WeakPolarHBondContact O-CG 3.02Å; E22-R24 PolarHBondContact O-N 3.03Å |
| 23 | K | 65.8 | Low | 73.5 | Confident | 214 Ų | 214 | 124 Ų | 124 | 93% | 0.93 | 60% | 0.603 | S | S | * | * | trans | -53.1 | 105.5 | 175.1 | -75.9 | -179.5 | 178.4 | 179 | 0 | 109.2 | S21 | S21-K23 PolarHBondContact O-N 3.06Š| ||
| 24 | R | 76.9 | Confident | 75.1 | Confident | 129 Ų | 129 | 114.3 Ų | 114.3 | 49% | 0.487 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -82.9 | 157.8 | 179.6 | -41.9 | -177.2 | -158.2 | 167.1 | 11.3 | 108.6 | E20 E22 L26 | E20-R24 VanDerWaalsContact CD-NH2 3.34Å; E20-R24 PolarHBondContact O-NH2 2.75Å; E20-R24 IonicContact OE1-CZ 3.15Å; E20-R24 IonicContact OE1-NH1 3.69Å; E20-R24 IonicContact OE1-NH2 2.64Å; E20-R24 PolarHBondContact OE1-NH2 2.96Å; E22-R24 WeakPolarHBondContact O-CG 3.02Å; E22-R24 PolarHBondContact O-N 3.03Å; R24-L26 PolarHBondContact O-N 3.45Å |
| 25 | E | 83.8 | Confident | 76.8 | Confident | 180 Ų | 180 | 101.9 Ų | 101.9 | 84% | 0.841 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 134.6 | 171.6 | -67.1 | -179.5 | 172.1 | 0 | 0 | 110 | V27 | E25-V27 PolarHBondContact O-N 3.02Š|
| 26 | L | 88.1 | Confident | 78.6 | Confident | 39 Ų | 39 | 98.9 Ų | 98.9 | 20% | 0.204 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -64 | 121.8 | 176.7 | -176.6 | 67.4 | 0 | 0 | 0 | 109.1 | R24 F28 Y95 E99 L103 Y106 | R24-L26 PolarHBondContact O-N 3.45Å; L26-F28 HydrophobicContact CD2-CE1 4.15Å; L26-F28 HydrophobicContact CD2-CE2 4.42Å; L26-F28 HydrophobicContact CD2-CZ 3.85Å; L26-F28 HydrophobicContact CG-CZ 4.43Å; L26-Y95 HydrophobicContact CD1-CD1 4.27Å; L26-Y95 HydrophobicContact CD1-CE1 4.29Å; L26-E99 HydrophobicContact CD1-CB 3.66Å; L26-E99 HydrophobicContact CD1-CG 3.94Å; L26-L103 HydrophobicContact CD1-CD2 4.44Å; L26-L103 HydrophobicContact CD1-CG 4.2Å; L26-L103 HydrophobicContact CD2-CD2 4.1Å; L26-L103 HydrophobicContact CD2-CG 4.28Å; L26-L103 HydrophobicContact CG-CD2 4.42Å; L26-Y106 HydrophobicContact CD2-CD2 3.97Å; L26-Y106 HydrophobicContact CD2-CE2 3.84Å |
| 27 | V | 92.3 | Very high | 80.3 | Confident | 69 Ų | 69 | 92.7 Ų | 92.7 | 42% | 0.418 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -88.5 | 127.5 | 177.7 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | E25 L78 L93 Y95 | E25-V27 PolarHBondContact O-N 3.02Å; V27-L78 HydrophobicContact CG1-CD2 4.39Å; V27-L93 HydrophobicContact CB-CD2 3.88Å; V27-L93 HydrophobicContact CG1-CD2 4.47Å; V27-L93 HydrophobicContact CG2-CD2 4.1Å; V27-Y95 WeakPolarHBondContact O-CE1 3.39Å; V27-Y95 PolarHBondContact O-OH 3.19Å |
| 28 | F | 93.5 | Very high | 82.4 | Confident | 85 Ų | 85 | 84.9 Ų | 84.9 | 37% | 0.373 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -92.7 | 159.9 | 173.4 | -65.9 | -85.4 | 0 | 0 | 0 | 111 | L26 Y35 L103 Y106 E108 | L26-F28 HydrophobicContact CD2-CE1 4.15Å; L26-F28 HydrophobicContact CD2-CE2 4.42Å; L26-F28 HydrophobicContact CD2-CZ 3.85Å; L26-F28 HydrophobicContact CG-CZ 4.43Å; F28-Y35 WeakPolarHBondContact CA-OH 3.5Å; F28-L103 HydrophobicContact CD1-CD2 4.15Å; F28-L103 HydrophobicContact CE1-CD2 4.2Å; F28-Y106 HydrophobicContact CE1-CD2 4.04Å; F28-Y106 HydrophobicContact CE1-CG 4.2Å; F28-Y106 AromaticContact CZ-CD2 4Å; F28-Y106 HydrophobicContact CZ-CD2 4Å; F28-Y106 HydrophobicContact CZ-CE2 4.13Å; F28-Y106 HydrophobicContact CZ-CG 4.33Å; F28-E108 HydrophobicContact CD1-CG 4.16Å; F28-E108 HydrophobicContact CE1-CG 4.34Å |
| 29 | K | 93.9 | Very high | 84.2 | Confident | 75 Ų | 75 | 83.4 Ų | 83.4 | 33% | 0.326 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 145 | 173.7 | 67.9 | 172.6 | 172 | 179.2 | 0 | 110.7 | Q33 E34 Y35 L78 | K29-Q33 HydrophobicContact CB-CB 4.43Å; K29-E34 VanDerWaalsContact NZ-CD 3.3Å; K29-E34 IonicContact NZ-OE1 2.73Å; K29-E34 PolarHBondContact NZ-OE1 3.42Å; K29-E34 IonicContact NZ-OE2 3.1Å; K29-E34 PolarHBondContact NZ-OE2 3.48Å; K29-E34 VanDerWaalsContact NZ-OE2 3.1Å; K29-Y35 HydrophobicContact CB-CD2 4.36Å; K29-Y35 HydrophobicContact CB-CE1 4.3Å; K29-Y35 HydrophobicContact CB-CE2 3.8Å; K29-Y35 HydrophobicContact CD-CD2 3.65Å; K29-Y35 HydrophobicContact CD-CE2 3.44Å; K29-Y35 VanDerWaalsContact CD-CE2 3.44Å; K29-Y35 HydrophobicContact CG-CD2 4.13Å; K29-Y35 HydrophobicContact CG-CE2 3.43Å; K29-Y35 VanDerWaalsContact CG-CE2 3.43Å; K29-Y35 PolarHBondContact N-OH 3.32Å; K29-L78 HydrophobicContact CB-CD1 3.8Å |
| 30 | E | 95.1 | Very high | 86.1 | Confident | 135 Ų | 135 | 83.8 Ų | 83.8 | 63% | 0.631 | 41% | 0.414 | S | S | * | . | trans | -110.7 | 177.3 | 172.6 | -62.2 | 177.7 | 156.3 | 0 | 0 | 110.5 | G32 Q33 | E30-G32 PolarHBondContact O-N 2.97Å; E30-Q33 WeakPolarHBondContact O-CB 3.43Å; E30-Q33 PolarHBondContact O-N 3.49Å; E30-Q33 PolarHBondContact OE2-NE2 3.26Å | ||
| 31 | D | 91.9 | Very high | 88 | Confident | 171 Ų | 171 | 83 Ų | 83 | 91% | 0.914 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 138.2 | 174.1 | -170.2 | 33.5 | 0 | 0 | 0 | 111.5 | Q33 | D31-Q33 PolarHBondContact O-N 2.97Š|
| 32 | G | 93 | Very high | 89.9 | Confident | 39 Ų | 39 | 81.4 Ų | 81.4 | 40% | 0.402 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 11.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115 | E30 L81 | E30-G32 PolarHBondContact O-N 2.97Å; G32-L81 WeakPolarHBondContact O-CB 3.13Å; G32-L81 PolarHBondContact O-N 3.02Å |
| 33 | Q | 95.9 | Very high | 91.5 | Very high | 37 Ų | 37 | 77.3 Ų | 77.3 | 17% | 0.173 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 154.5 | 173.4 | -53.3 | 175.8 | 12 | 0 | 0 | 110.7 | K29 E30 D31 L78 V79 I92 | K29-Q33 HydrophobicContact CB-CB 4.43Å; E30-Q33 WeakPolarHBondContact O-CB 3.43Å; E30-Q33 PolarHBondContact O-N 3.49Å; E30-Q33 PolarHBondContact OE2-NE2 3.26Å; D31-Q33 PolarHBondContact O-N 2.97Å; Q33-L78 HydrophobicContact CB-CD1 4.14Å; Q33-V79 CarbonylContact C-O 3.53Å; Q33-V79 VanDerWaalsContact CA-O 3.22Å; Q33-V79 WeakPolarHBondContact CA-O 3.28Å; Q33-V79 WeakPolarHBondContact CB-O 3.22Å; Q33-I92 HydrophobicContact CG-CD1 3.8Å |
| 34 | E | 95.3 | Very high | 92.8 | Very high | 30 Ų | 30 | 73 Ų | 73 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 153.1 | 176.5 | -166.1 | 50.1 | -90.3 | 0 | 0 | 110.9 | K29 C51 D53 V79 L81 | K29-E34 VanDerWaalsContact NZ-CD 3.3Å; K29-E34 IonicContact NZ-OE1 2.73Å; K29-E34 PolarHBondContact NZ-OE1 3.42Å; K29-E34 IonicContact NZ-OE2 3.1Å; K29-E34 PolarHBondContact NZ-OE2 3.48Å; K29-E34 VanDerWaalsContact NZ-OE2 3.1Å; E34-C51 HydrophobicContact CG-CB 4.41Å; E34-D53 HydrophobicContact CG-CB 4.34Å; E34-V79 HydrophobicContact CB-CG2 4.23Å; E34-V79 PolarHBondContact N-O 2.85Å; E34-V79 WeakPolarHBondContact O-CG2 3.27Å; E34-V79 PolarHBondContact O-N 3.25Å; E34-L81 HydrophobicContact CB-CD1 4.45Å; E34-L81 HydrophobicContact CB-CD2 4.23Å; E34-L81 HydrophobicContact CB-CG 4.48Å |
| 35 | Y | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 145.3 | 170.6 | -61 | -70.6 | 0 | 0 | 0 | 109.9 | F28 K29 C51 F52 L78 Y95 L103 E108 L109 | F28-Y35 WeakPolarHBondContact CA-OH 3.5Å; K29-Y35 HydrophobicContact CB-CD2 4.36Å; K29-Y35 HydrophobicContact CB-CE1 4.3Å; K29-Y35 HydrophobicContact CB-CE2 3.8Å; K29-Y35 HydrophobicContact CD-CD2 3.65Å; K29-Y35 HydrophobicContact CD-CE2 3.44Å; K29-Y35 VanDerWaalsContact CD-CE2 3.44Å; K29-Y35 HydrophobicContact CG-CD2 4.13Å; K29-Y35 HydrophobicContact CG-CE2 3.43Å; K29-Y35 VanDerWaalsContact CG-CE2 3.43Å; K29-Y35 PolarHBondContact N-OH 3.32Å; Y35-C51 WeakPolarHBondContact O-CA 2.98Å; Y35-F52 WeakPolarHBondContact O-CD2 3.21Å; Y35-F52 PolarHBondContact O-N 2.74Å; Y35-L78 HydrophobicContact CD1-CD1 4.19Å; Y35-L78 HydrophobicContact CE1-CD1 4.24Å; Y35-Y95 AromaticContact CD1-CE2 3.81Å; Y35-Y95 HydrophobicContact CD1-CE2 3.81Å; Y35-Y95 AromaticContact CE1-CE2 3.87Å; Y35-Y95 HydrophobicContact CE1-CE2 3.87Å; Y35-Y95 AromaticContact CE1-CZ 3.8Å; Y35-Y95 WeakPolarHBondContact CE1-OH 3.47Å; Y35-L103 HydrophobicContact CD1-CD1 4.35Å; Y35-L103 HydrophobicContact CE1-CD1 3.9Å; Y35-L103 HydrophobicContact CE1-CD2 3.97Å; Y35-L103 WeakPolarHBondContact OH-CD2 3.49Å; Y35-E108 HydrophobicContact CD2-CB 4.49Å; Y35-E108 HydrophobicContact CE2-CB 3.78Å; Y35-E108 HydrophobicContact CE2-CG 4.25Å; Y35-E108 WeakPolarHBondContact CE2-OE2 3.44Å; Y35-L109 HydrophobicContact CD2-CD2 4.42Å; Y35-L109 HydrophobicContact CG-CD2 4.1Å |
| 36 | A | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 155.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A49 M50 C51 I77 V79 | A36-A49 HydrophobicContact CB-CB 3.85Å; A36-M50 CarbonylContact C-O 3.6Å; A36-M50 VanDerWaalsContact CA-O 3.24Å; A36-M50 WeakPolarHBondContact CA-O 3.48Å; A36-M50 WeakPolarHBondContact CB-O 3.43Å; A36-C51 HydrophobicContact CB-CB 4.34Å; A36-I77 HydrophobicContact CB-CD1 4.47Å; A36-I77 HydrophobicContact CB-CG1 4.06Å; A36-I77 PolarHBondContact N-O 2.99Å; A36-I77 WeakPolarHBondContact O-CG1 3.49Å; A36-I77 PolarHBondContact O-N 2.88Å; A36-V79 HydrophobicContact CB-CG1 3.97Å; A36-V79 HydrophobicContact CB-CG2 4.08Å |
| 37 | Q | 94.8 | Very high | 94.5 | Very high | 44 Ų | 44 | 62.2 Ų | 62.2 | 21% | 0.206 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 132.3 | 169.8 | 179.3 | 165.7 | 52.9 | 0 | 0 | 110.4 | I39 A49 M50 F52 S74 D75 I76 K114 | Q37-I39 PolarHBondContact O-N 2.83Å; Q37-A49 CarbonylContact O-C 3.56Å; Q37-A49 VanDerWaalsContact O-CA 3.23Å; Q37-A49 WeakPolarHBondContact O-CA 3.37Å; Q37-A49 WeakPolarHBondContact O-CB 3.43Å; Q37-M50 PolarHBondContact N-O 2.75Å; Q37-M50 PolarHBondContact O-N 3.41Å; Q37-F52 HydrophobicContact CB-CZ 4.35Å; Q37-S74 PolarHBondContact NE2-O 2.84Å; Q37-S74 VanDerWaalsContact NE2-O 3.09Å; Q37-D75 WeakPolarHBondContact CA-O 3.47Å; Q37-I76 HydrophobicContact CB-CD1 4.01Å; Q37-I76 HydrophobicContact CG-CD1 4.16Å; Q37-K114 PolarHBondContact NE2-O 3.23Å |
| 38 | V | 95.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 122.7 | 177.3 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | M41 L47 I71 N72 S74 D75 I77 | V38-M41 HydrophobicContact CG1-SD 4.18Å; V38-L47 HydrophobicContact CG1-CB 4.42Å; V38-L47 HydrophobicContact CG1-CD1 4.23Å; V38-L47 HydrophobicContact CG1-CD2 4.43Å; V38-L47 HydrophobicContact CG2-CD1 4.13Å; V38-L47 HydrophobicContact CG2-CD2 4.18Å; V38-I71 HydrophobicContact CG2-CG2 3.8Å; V38-N72 WeakPolarHBondContact CB-O 3.24Å; V38-N72 WeakPolarHBondContact CG1-O 3.44Å; V38-S74 WeakPolarHBondContact O-CA 3.22Å; V38-S74 PolarHBondContact O-N 2.67Å; V38-D75 HydrophobicContact CG2-CB 4.37Å; V38-D75 PolarHBondContact N-O 2.77Å; V38-I77 HydrophobicContact CG2-CD1 3.88Å; V38-I77 HydrophobicContact CG2-CG1 4.2Å; V38-I77 HydrophobicContact CG2-CG2 4.03Å |
| 39 | I | 95.1 | Very high | 94.9 | Very high | 69 Ų | 69 | 56.6 Ų | 56.6 | 35% | 0.354 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -55.5 | 174.5 | -61.7 | 163 | 0 | 0 | 0 | 109.8 | Q37 E48 M50 K56 | Q37-I39 PolarHBondContact O-N 2.83Å; I39-E48 HydrophobicContact CD1-CG 4.24Å; I39-E48 PolarHBondContact N-O 3.23Å; I39-M50 HydrophobicContact CD1-CB 3.82Å; I39-M50 HydrophobicContact CG1-CB 4.02Å; I39-K56 HydrophobicContact CD1-CD 4.1Å; I39-K56 HydrophobicContact CD1-CG 4.12Å |
| 40 | K | 95.3 | Very high | 94.9 | Very high | 100 Ų | 100 | 56.1 Ų | 56.1 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 148.4 | -175.4 | 67.9 | -179.6 | -159.6 | -133.3 | 0 | 112.4 | L42 L47 E48 | K40-L42 HydrophobicContact CD-CD2 4.27Å; K40-L42 HydrophobicContact CG-CD2 4.28Å; K40-L47 WeakPolarHBondContact O-CA 3.46Å; K40-E48 VanDerWaalsContact CD-OE2 3.31Å; K40-E48 WeakPolarHBondContact CD-OE2 3.37Å; K40-E48 WeakPolarHBondContact CE-OE2 3.47Å; K40-E48 HydrophobicContact CG-CB 3.79Å; K40-E48 WeakPolarHBondContact CG-OE2 3.41Å; K40-E48 PolarHBondContact N-O 2.97Å; K40-E48 IonicContact NZ-OE2 2.62Å; K40-E48 PolarHBondContact NZ-OE2 2.99Å; K40-E48 PolarHBondContact O-N 3.23Å |
| 41 | M | 95.4 | Very high | 94.9 | Very high | 84 Ų | 84 | 49.7 Ų | 49.7 | 41% | 0.414 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131.8 | 172.4 | -62.3 | -61.2 | -81.1 | 0 | 0 | 109.8 | V38 L47 I61 I71 T73 | V38-M41 HydrophobicContact CG1-SD 4.18Å; M41-L47 HydrophobicContact SD-CB 3.73Å; M41-L47 HydrophobicContact SD-CD2 4.11Å; M41-I61 HydrophobicContact CE-CD1 4.16Å; M41-I71 VanDerWaalsContact CE-O 3.3Å; M41-I71 WeakPolarHBondContact CE-O 3.36Å; M41-T73 HydrophobicContact CG-CG2 4.3Å |
| 42 | L | 94.6 | Very high | 94.9 | Very high | 79 Ų | 79 | 44.2 Ų | 44.2 | 41% | 0.414 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -8.2 | -178.9 | -63.7 | 175.5 | 0 | 0 | 0 | 113 | K40 R46 E48 L58 | K40-L42 HydrophobicContact CD-CD2 4.27Å; K40-L42 HydrophobicContact CG-CD2 4.28Å; L42-R46 HydrophobicContact CB-CB 4.14Å; L42-R46 WeakPolarHBondContact CB-O 3.37Å; L42-R46 PolarHBondContact N-O 3Å; L42-E48 HydrophobicContact CD1-CB 4.44Å; L42-L58 HydrophobicContact CD1-CD1 4.34Å; L42-L58 HydrophobicContact CD1-CD2 3.54Å; L42-L58 HydrophobicContact CD1-CG 3.83Å |
| 43 | G | 93.6 | Very high | 94.8 | Very high | 42 Ų | 42 | 45.5 Ų | 45.5 | 43% | 0.433 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 80.6 | 174.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G45 R46 | G43-G45 PolarHBondContact O-N 3.32Å; G43-R46 PolarHBondContact N-O 3.37Å; G43-R46 PolarHBondContact O-N 3.45Å |
| 44 | N | 93.1 | Very high | 94.5 | Very high | 125 Ų | 125 | 46 Ų | 46 | 67% | 0.668 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 30.4 | -173.5 | -164.6 | 12 | 0 | 0 | 0 | 113.2 | R46 R66 | N44-R46 VanDerWaalsContact C-N 3.31Å; N44-R46 PolarHBondContact ND2-NH1 2.91Å; N44-R46 PolarHBondContact O-N 3.32Å; N44-R66 PolarHBondContact O-NH1 2.81Å; N44-R66 VanDerWaalsContact O-NH1 3.17Å; N44-R66 PolarHBondContact O-NH2 3.34Å |
| 45 | G | 92.4 | Very high | 94.4 | Very high | 17 Ų | 17 | 46.9 Ų | 46.9 | 18% | 0.175 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 39.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115 | G43 I61 R66 | G43-G45 PolarHBondContact O-N 3.32Å; G45-I61 WeakPolarHBondContact O-CB 3.29Å; G45-I61 WeakPolarHBondContact O-CG1 3.14Å; G45-I61 PolarHBondContact O-N 2.86Å; G45-R66 VanDerWaalsContact CA-CZ 3.46Å; G45-R66 VanDerWaalsContact CA-NH2 3.34Å; G45-R66 PolarHBondContact O-NH2 3.03Å |
| 46 | R | 95.7 | Very high | 94.5 | Very high | 103 Ų | 103 | 53 Ų | 53 | 39% | 0.389 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 151.5 | 162.7 | -65.4 | -180 | -179.6 | 81.9 | -0.9 | 109.4 | L42 G43 N44 L58 C59 | L42-R46 HydrophobicContact CB-CB 4.14Å; L42-R46 WeakPolarHBondContact CB-O 3.37Å; L42-R46 PolarHBondContact N-O 3Å; G43-R46 PolarHBondContact N-O 3.37Å; G43-R46 PolarHBondContact O-N 3.45Å; N44-R46 VanDerWaalsContact C-N 3.31Å; N44-R46 PolarHBondContact ND2-NH1 2.91Å; N44-R46 PolarHBondContact O-N 3.32Å; R46-L58 HydrophobicContact CB-CD2 4.43Å; R46-C59 WeakPolarHBondContact CA-O 3.44Å |
| 47 | L | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 160.5 | 175 | 63.6 | 85.1 | 0 | 0 | 0 | 109.8 | V38 K40 M41 A49 C59 I61 I71 I77 V91 | V38-L47 HydrophobicContact CG1-CB 4.42Å; V38-L47 HydrophobicContact CG1-CD1 4.23Å; V38-L47 HydrophobicContact CG1-CD2 4.43Å; V38-L47 HydrophobicContact CG2-CD1 4.13Å; V38-L47 HydrophobicContact CG2-CD2 4.18Å; K40-L47 WeakPolarHBondContact O-CA 3.46Å; M41-L47 HydrophobicContact SD-CB 3.73Å; M41-L47 HydrophobicContact SD-CD2 4.11Å; L47-A49 HydrophobicContact CD1-CB 3.75Å; L47-C59 HydrophobicContact CD1-CB 3.58Å; L47-C59 HydrophobicContact CG-CB 4.01Å; L47-C59 PolarHBondContact N-O 2.89Å; L47-C59 PolarHBondContact O-N 2.64Å; L47-I61 HydrophobicContact CD2-CD1 4.16Å; L47-I61 HydrophobicContact CD2-CG1 3.98Å; L47-I71 HydrophobicContact CD2-CG2 3.91Å; L47-I77 HydrophobicContact CD1-CD1 4.07Å; L47-V91 HydrophobicContact CD2-CG2 4.19Å |
| 48 | E | 97 | Very high | 94.6 | Very high | 37 Ų | 37 | 55.1 Ų | 55.1 | 17% | 0.173 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 128.7 | 168.6 | -173.4 | -179.8 | -178.2 | 0 | 0 | 108.2 | I39 K40 L42 | I39-E48 HydrophobicContact CD1-CG 4.24Å; I39-E48 PolarHBondContact N-O 3.23Å; K40-E48 VanDerWaalsContact CD-OE2 3.31Å; K40-E48 WeakPolarHBondContact CD-OE2 3.37Å; K40-E48 WeakPolarHBondContact CE-OE2 3.47Å; K40-E48 HydrophobicContact CG-CB 3.79Å; K40-E48 WeakPolarHBondContact CG-OE2 3.41Å; K40-E48 PolarHBondContact N-O 2.97Å; K40-E48 IonicContact NZ-OE2 2.62Å; K40-E48 PolarHBondContact NZ-OE2 2.99Å; K40-E48 PolarHBondContact O-N 3.23Å; L42-E48 HydrophobicContact CD1-CB 4.44Å |
| 49 | A | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A36 Q37 L47 K56 R57 I77 | A36-A49 HydrophobicContact CB-CB 3.85Å; Q37-A49 CarbonylContact O-C 3.56Å; Q37-A49 VanDerWaalsContact O-CA 3.23Å; Q37-A49 WeakPolarHBondContact O-CA 3.37Å; Q37-A49 WeakPolarHBondContact O-CB 3.43Å; L47-A49 HydrophobicContact CD1-CB 3.75Å; A49-K56 WeakPolarHBondContact O-CA 3.33Å; A49-R57 PolarHBondContact N-O 2.83Å; A49-R57 PolarHBondContact O-N 3.3Å; A49-I77 HydrophobicContact CB-CD1 4.15Å |
| 50 | M | 95.6 | Very high | 94.7 | Very high | 64 Ų | 64 | 54.6 Ų | 54.6 | 32% | 0.315 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 109.7 | 167.6 | -169.4 | 70.1 | -171.1 | 0 | 0 | 107.7 | A36 Q37 I39 G54 K56 | A36-M50 CarbonylContact C-O 3.6Å; A36-M50 VanDerWaalsContact CA-O 3.24Å; A36-M50 WeakPolarHBondContact CA-O 3.48Å; A36-M50 WeakPolarHBondContact CB-O 3.43Å; Q37-M50 PolarHBondContact N-O 2.75Å; Q37-M50 PolarHBondContact O-N 3.41Å; I39-M50 HydrophobicContact CD1-CB 3.82Å; I39-M50 HydrophobicContact CG1-CB 4.02Å; M50-G54 WeakPolarHBondContact CE-O 3.44Å; M50-K56 HydrophobicContact SD-CD 4.29Å; M50-K56 HydrophobicContact SD-CG 3.44Å; M50-K56 WeakPolarHBondContact SD-CG 3.37Å |
| 51 | C | 94.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 147.7 | 173.6 | -61.3 | 0 | 0 | 0 | 0 | 109.2 | E34 Y35 A36 D53 G54 T55 R57 | E34-C51 HydrophobicContact CG-CB 4.41Å; Y35-C51 WeakPolarHBondContact O-CA 2.98Å; A36-C51 HydrophobicContact CB-CB 4.34Å; C51-D53 WeakPolarHBondContact CB-OD1 3.48Å; C51-D53 PolarHBondContact O-N 3.35Å; C51-G54 PolarHBondContact O-N 3.25Å; C51-T55 WeakPolarHBondContact CB-O 3.44Å; C51-T55 PolarHBondContact N-O 2.81Å; C51-R57 VanDerWaalsContact SG-CD 3.53Å |
| 52 | F | 92.1 | Very high | 94.6 | Very high | 55 Ų | 55 | 53.2 Ų | 53.2 | 24% | 0.241 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -2.2 | -179.6 | -70.8 | -73.3 | 0 | 0 | 0 | 113.2 | Y35 Q37 G54 I76 L109 P110 A113 | Y35-F52 WeakPolarHBondContact O-CD2 3.21Å; Y35-F52 PolarHBondContact O-N 2.74Å; Q37-F52 HydrophobicContact CB-CZ 4.35Å; F52-G54 PolarHBondContact O-N 3.32Å; F52-I76 HydrophobicContact CE2-CD1 4.44Å; F52-I76 HydrophobicContact CZ-CD1 4.22Å; F52-L109 HydrophobicContact CD2-CD2 3.69Å; F52-L109 HydrophobicContact CE2-CD2 3.39Å; F52-L109 HydrophobicContact CG-CD2 4.4Å; F52-L109 HydrophobicContact CZ-CD2 3.86Å; F52-P110 VanDerWaalsContact CD1-CD 3.45Å; F52-P110 HydrophobicContact CD1-CG 3.68Å; F52-P110 HydrophobicContact CE1-CG 4.17Å; F52-A113 HydrophobicContact CE1-CB 4.07Å; F52-A113 HydrophobicContact CZ-CB 4.11Å |
| 53 | D | 90.6 | Very high | 94.5 | Very high | 66 Ų | 66 | 51.7 Ų | 51.7 | 35% | 0.353 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -9.3 | 162.2 | 68.5 | -2.7 | 0 | 0 | 0 | 113.2 | E34 C51 T55 R57 | E34-D53 HydrophobicContact CG-CB 4.34Å; C51-D53 WeakPolarHBondContact CB-OD1 3.48Å; C51-D53 PolarHBondContact O-N 3.35Å; D53-T55 WeakPolarHBondContact OD1-CB 3.12Å; D53-T55 PolarHBondContact OD1-N 2.91Å; D53-R57 IonicContact OD2-CZ 3.62Å; D53-R57 IonicContact OD2-NE 3.21Å; D53-R57 PolarHBondContact OD2-NE 2.83Å; D53-R57 IonicContact OD2-NH2 2.75Å; D53-R57 PolarHBondContact OD2-NH2 2.83Å |
| 54 | G | 90.3 | Very high | 94.3 | Very high | 49 Ų | 49 | 56.8 Ų | 56.8 | 51% | 0.505 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 97.1 | -2.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | M50 C51 F52 | M50-G54 WeakPolarHBondContact CE-O 3.44Å; C51-G54 PolarHBondContact O-N 3.25Å; F52-G54 PolarHBondContact O-N 3.32Å |
| 55 | T | 93.3 | Very high | 94.1 | Very high | 47 Ų | 47 | 51.4 Ų | 51.4 | 29% | 0.288 | 26% | 0.264 | S | S | . | . | trans | -101 | 136.2 | -174.5 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | C51 D53 R57 | C51-T55 WeakPolarHBondContact CB-O 3.44Å; C51-T55 PolarHBondContact N-O 2.81Å; D53-T55 WeakPolarHBondContact OD1-CB 3.12Å; D53-T55 PolarHBondContact OD1-N 2.91Å; T55-R57 HydrophobicContact CG2-CG 4.07Å | ||
| 56 | K | 95.9 | Very high | 93.9 | Very high | 128 Ų | 128 | 55.5 Ų | 55.5 | 56% | 0.557 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 119.3 | 170.9 | -68.2 | -178.4 | -177.3 | 180 | 0 | 109.6 | I39 A49 M50 | I39-K56 HydrophobicContact CD1-CD 4.1Å; I39-K56 HydrophobicContact CD1-CG 4.12Å; A49-K56 WeakPolarHBondContact O-CA 3.33Å; M50-K56 HydrophobicContact SD-CD 4.29Å; M50-K56 HydrophobicContact SD-CG 3.44Å; M50-K56 WeakPolarHBondContact SD-CG 3.37Å |
| 57 | R | 96 | Very high | 93.3 | Very high | 7 Ų | 7 | 60 Ų | 60 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 144 | -176.9 | -59 | -176.6 | -171.4 | -118.9 | -1.5 | 111.4 | A49 C51 D53 T55 C59 D86 A89 | A49-R57 PolarHBondContact N-O 2.83Å; A49-R57 PolarHBondContact O-N 3.3Å; C51-R57 VanDerWaalsContact SG-CD 3.53Å; D53-R57 IonicContact OD2-CZ 3.62Å; D53-R57 IonicContact OD2-NE 3.21Å; D53-R57 PolarHBondContact OD2-NE 2.83Å; D53-R57 IonicContact OD2-NH2 2.75Å; D53-R57 PolarHBondContact OD2-NH2 2.83Å; T55-R57 HydrophobicContact CG2-CG 4.07Å; R57-C59 PolarHBondContact O-N 2.95Å; R57-D86 WeakPolarHBondContact CD-O 3.49Å; R57-D86 VanDerWaalsContact CZ-O 3.28Å; R57-D86 IonicContact CZ-OD1 3.66Å; R57-D86 IonicContact CZ-OD2 2.74Å; R57-D86 VanDerWaalsContact NH1-C 3.34Å; R57-D86 PolarHBondContact NH1-O 2.85Å; R57-D86 IonicContact NH1-OD1 3.68Å; R57-D86 PolarHBondContact NH1-OD1 3.44Å; R57-D86 IonicContact NH1-OD2 3.46Å; R57-D86 VanDerWaalsContact NH2-CG 3.31Å; R57-D86 IonicContact NH2-OD1 2.83Å; R57-D86 PolarHBondContact NH2-OD1 2.86Å; R57-D86 IonicContact NH2-OD2 3.23Å; R57-D86 PolarHBondContact NH2-OD2 2.79Å; R57-A89 HydrophobicContact CB-CB 4.43Å |
| 58 | L | 96.6 | Very high | 92.8 | Very high | 83 Ų | 83 | 64.8 Ų | 64.8 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 106.5 | 174.2 | -130.6 | 144.6 | 0 | 0 | 0 | 108.2 | L42 R46 N87 K88 A89 | L42-L58 HydrophobicContact CD1-CD1 4.34Å; L42-L58 HydrophobicContact CD1-CD2 3.54Å; L42-L58 HydrophobicContact CD1-CG 3.83Å; R46-L58 HydrophobicContact CB-CD2 4.43Å; L58-N87 PolarHBondContact N-O 2.61Å; L58-K88 WeakPolarHBondContact O-CA 3.44Å; L58-A89 PolarHBondContact O-N 2.94Å |
| 59 | C | 97.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 140.3 | -172 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | R46 L47 R57 A89 V91 | R46-C59 WeakPolarHBondContact CA-O 3.44Å; L47-C59 HydrophobicContact CD1-CB 3.58Å; L47-C59 HydrophobicContact CG-CB 4.01Å; L47-C59 PolarHBondContact N-O 2.89Å; L47-C59 PolarHBondContact O-N 2.64Å; R57-C59 PolarHBondContact O-N 2.95Å; C59-A89 CarbonylContact C-O 3.54Å; C59-A89 VanDerWaalsContact CA-O 3.25Å; C59-A89 WeakPolarHBondContact CA-O 3.34Å; C59-V91 HydrophobicContact CB-CG2 3.88Å |
| 60 | H | 96 | Very high | 92.1 | Very high | 59 Ų | 59 | 74.9 Ų | 74.9 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.5 | 174.8 | 178.3 | -101.1 | 0 | 0 | 0 | 110.7 | R62 R66 A89 D90 V91 | H60-R62 PolarHBondContact O-N 2.93Å; H60-R66 PolarHBondContact CD2-NH2 2.86Å; H60-R66 PolarHBondContact NE2-NH2 3.32Å; H60-A89 PolarHBondContact N-O 3.36Å; H60-D90 WeakPolarHBondContact CB-OD1 3.25Å; H60-D90 IonicContact CG-OD1 3.86Å; H60-D90 IonicContact ND1-OD1 3.45Å; H60-D90 PolarHBondContact ND1-OD1 3.47Å; H60-D90 WeakPolarHBondContact O-CA 3.33Å; H60-V91 PolarHBondContact O-N 2.86Å |
| 61 | I | 95.8 | Very high | 92 | Very high | 14 Ų | 14 | 72.3 Ų | 72.3 | 7% | 0.072 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 117 | -178.4 | -54.9 | 173.6 | 0 | 0 | 0 | 108.7 | M41 G45 L47 G63 L65 R66 I71 V91 | M41-I61 HydrophobicContact CE-CD1 4.16Å; G45-I61 WeakPolarHBondContact O-CB 3.29Å; G45-I61 WeakPolarHBondContact O-CG1 3.14Å; G45-I61 PolarHBondContact O-N 2.86Å; L47-I61 HydrophobicContact CD2-CD1 4.16Å; L47-I61 HydrophobicContact CD2-CG1 3.98Å; I61-G63 PolarHBondContact O-N 2.77Å; I61-L65 HydrophobicContact CG2-CB 3.99Å; I61-R66 HydrophobicContact CB-CG 4.08Å; I61-R66 HydrophobicContact CG2-CG 3.69Å; I61-R66 PolarHBondContact O-NE 2.93Å; I61-I71 HydrophobicContact CD1-CD1 4.27Å; I61-I71 HydrophobicContact CG1-CD1 4.26Å; I61-I71 HydrophobicContact CG2-CD1 4.09Å; I61-V91 HydrophobicContact CG1-CG2 4.42Å |
| 62 | R | 93.8 | Very high | 91.9 | Very high | 141 Ų | 141 | 76.9 Ų | 76.9 | 53% | 0.532 | 37% | 0.369 | S | S | . | . | trans | -57.4 | 138.9 | 178.2 | -176.4 | 174.9 | -177.7 | 177.4 | 2.4 | 110.3 | H60 K64 L65 R66 V91 | H60-R62 PolarHBondContact O-N 2.93Å; R62-K64 PolarHBondContact O-N 3.09Å; R62-L65 HydrophobicContact CB-CD1 3.81Å; R62-L65 HydrophobicContact CG-CD1 4.46Å; R62-L65 PolarHBondContact O-N 2.98Å; R62-R66 PolarHBondContact O-N 2.91Å; R62-V91 WeakPolarHBondContact CB-O 3.37Å | ||
| 63 | G | 91.8 | Very high | 91.9 | Very high | 47 Ų | 47 | 77.5 Ų | 77.5 | 49% | 0.485 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -55.9 | -29.2 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | I61 L65 | I61-G63 PolarHBondContact O-N 2.77Å; G63-L65 VanDerWaalsContact C-N 3.35Å |
| 64 | K | 90.1 | Very high | 92 | Very high | 148 Ų | 148 | 76.7 Ų | 76.7 | 64% | 0.643 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.4 | -39.1 | 174.8 | -171.6 | 179.7 | 178.4 | -174.4 | 0 | 112.1 | R62 | R62-K64 PolarHBondContact O-N 3.09Å |
| 65 | L | 89 | Confident | 92.2 | Very high | 13 Ų | 13 | 75.4 Ų | 75.4 | 7% | 0.068 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -78.4 | -36.6 | -179.7 | -71.8 | 95 | 0 | 0 | 0 | 111.9 | I61 R62 G63 K67 K68 V69 V91 I92 | I61-L65 HydrophobicContact CG2-CB 3.99Å; R62-L65 HydrophobicContact CB-CD1 3.81Å; R62-L65 HydrophobicContact CG-CD1 4.46Å; R62-L65 PolarHBondContact O-N 2.98Å; G63-L65 VanDerWaalsContact C-N 3.35Å; L65-K67 PolarHBondContact O-N 2.77Å; L65-K68 PolarHBondContact O-N 2.84Å; L65-V69 HydrophobicContact CB-CB 4.46Å; L65-V69 HydrophobicContact CD2-CB 4.39Å; L65-V69 PolarHBondContact O-N 2.74Å; L65-V91 HydrophobicContact CD2-CG1 4.45Å; L65-I92 VanDerWaalsContact CD1-O 3.27Å; L65-I92 WeakPolarHBondContact CD1-O 3.4Å |
| 66 | R | 87.8 | Confident | 92.2 | Very high | 102 Ų | 102 | 73.4 Ų | 73.4 | 39% | 0.385 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -51.6 | -26.2 | -176.9 | -69.1 | -177.4 | 175.8 | -120.5 | 4.8 | 115.3 | N44 G45 H60 I61 R62 | N44-R66 PolarHBondContact O-NH1 2.81Å; N44-R66 VanDerWaalsContact O-NH1 3.17Å; N44-R66 PolarHBondContact O-NH2 3.34Å; G45-R66 VanDerWaalsContact CA-CZ 3.46Å; G45-R66 VanDerWaalsContact CA-NH2 3.34Å; G45-R66 PolarHBondContact O-NH2 3.03Å; H60-R66 PolarHBondContact CD2-NH2 2.86Å; H60-R66 PolarHBondContact NE2-NH2 3.32Å; I61-R66 HydrophobicContact CB-CG 4.08Å; I61-R66 HydrophobicContact CG2-CG 3.69Å; I61-R66 PolarHBondContact O-NE 2.93Å; R62-R66 PolarHBondContact O-N 2.91Å |
| 67 | K | 83.4 | Confident | 92.2 | Very high | 198 Ų | 198 | 67.3 Ų | 67.3 | 86% | 0.861 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -15.7 | -179.6 | -65.3 | -173.5 | 178.8 | -177.8 | 0 | 114.2 | L65 | L65-K67 PolarHBondContact O-N 2.77Š|
| 68 | K | 85.6 | Confident | 92.2 | Very high | 101 Ų | 101 | 67 Ų | 67 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -42.9 | -170.4 | -69.4 | -168.7 | 169.1 | -159.9 | 0 | 112 | E18 L65 | E18-K68 IonicContact OE2-NZ 2.59Å; E18-K68 PolarHBondContact OE2-NZ 2.84Å; L65-K68 PolarHBondContact O-N 2.84Å |
| 69 | V | 89.1 | Confident | 92.2 | Very high | 32 Ų | 32 | 63.1 Ų | 63.1 | 19% | 0.194 | 30% | 0.298 | C | S | . | . | trans | -121.8 | 128.3 | -168 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | L65 I71 K94 | L65-V69 HydrophobicContact CB-CB 4.46Å; L65-V69 HydrophobicContact CD2-CB 4.39Å; L65-V69 PolarHBondContact O-N 2.74Å; V69-I71 HydrophobicContact CG1-CG1 4.42Å; V69-K94 HydrophobicContact CG1-CB 3.7Å; V69-K94 HydrophobicContact CG1-CD 3.49Å; V69-K94 VanDerWaalsContact CG1-CD 3.49Å; V69-K94 HydrophobicContact CG1-CG 4.19Å | ||
| 70 | W | 90.5 | Very high | 92.2 | Very high | 216 Ų | 216 | 63.6 Ų | 63.6 | 82% | 0.818 | 30% | 0.304 | S | S | * | . | trans | -90.1 | 130.8 | 172.4 | -64.3 | 73.3 | 0 | 0 | 0 | 109 | ||||
| 71 | I | 92.6 | Very high | 92.1 | Very high | 11 Ų | 11 | 63.5 Ų | 63.5 | 6% | 0.056 | 31% | 0.305 | C | S | . | . | trans | -116.5 | 125.7 | -178.5 | -58.2 | 174 | 0 | 0 | 0 | 107.8 | V38 M41 L47 I61 V69 I77 V91 | V38-I71 HydrophobicContact CG2-CG2 3.8Å; M41-I71 VanDerWaalsContact CE-O 3.3Å; M41-I71 WeakPolarHBondContact CE-O 3.36Å; L47-I71 HydrophobicContact CD2-CG2 3.91Å; I61-I71 HydrophobicContact CD1-CD1 4.27Å; I61-I71 HydrophobicContact CG1-CD1 4.26Å; I61-I71 HydrophobicContact CG2-CD1 4.09Å; V69-I71 HydrophobicContact CG1-CG1 4.42Å; I71-I77 HydrophobicContact CG2-CG2 4.31Å; I71-V91 HydrophobicContact CD1-CG1 3.98Å | ||
| 72 | N | 92.2 | Very high | 92 | Very high | 97 Ų | 97 | 65.4 Ų | 65.4 | 52% | 0.519 | 31% | 0.311 | S | S | . | . | trans | -113.4 | 172.6 | 179.7 | -68.9 | -39.1 | 0 | 0 | 0 | 111.1 | V38 D75 | V38-N72 WeakPolarHBondContact CB-O 3.24Å; V38-N72 WeakPolarHBondContact CG1-O 3.44Å; N72-D75 PolarHBondContact N-OD2 3.46Å; N72-D75 WeakPolarHBondContact O-CB 3.38Å | ||
| 73 | T | 92.6 | Very high | 91.9 | Very high | 67 Ų | 67 | 66.1 Ų | 66.1 | 41% | 0.411 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 143.8 | 174.1 | 53.4 | 0 | 0 | 0 | 0 | 110.9 | M41 D75 | M41-T73 HydrophobicContact CG-CG2 4.3Å; T73-D75 PolarHBondContact O-N 3Å |
| 74 | S | 92.6 | Very high | 91.8 | Very high | 49 Ų | 49 | 71.2 Ų | 71.2 | 34% | 0.343 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -0.2 | -174.4 | -42.4 | 0 | 0 | 0 | 0 | 116.1 | Q37 V38 | Q37-S74 PolarHBondContact NE2-O 2.84Å; Q37-S74 VanDerWaalsContact NE2-O 3.09Å; V38-S74 WeakPolarHBondContact O-CA 3.22Å; V38-S74 PolarHBondContact O-N 2.67Å |
| 75 | D | 93.6 | Very high | 91.9 | Very high | 23 Ų | 23 | 67.8 Ų | 67.8 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | trans | -65.7 | 147.5 | 172.8 | -73.1 | -7.1 | 0 | 0 | 0 | 111.3 | Q37 V38 N72 T73 K94 | Q37-D75 WeakPolarHBondContact CA-O 3.47Å; V38-D75 HydrophobicContact CG2-CB 4.37Å; V38-D75 PolarHBondContact N-O 2.77Å; N72-D75 PolarHBondContact N-OD2 3.46Å; N72-D75 WeakPolarHBondContact O-CB 3.38Å; T73-D75 PolarHBondContact O-N 3Å; D75-K94 WeakPolarHBondContact OD2-CE 3.49Å | ||
| 76 | I | 94.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 71.3 Ų | 71.3 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 129.6 | 172 | -53.1 | -57.8 | 0 | 0 | 0 | 108.8 | Q37 F52 Y95 A100 L109 | Q37-I76 HydrophobicContact CB-CD1 4.01Å; Q37-I76 HydrophobicContact CG-CD1 4.16Å; F52-I76 HydrophobicContact CE2-CD1 4.44Å; F52-I76 HydrophobicContact CZ-CD1 4.22Å; I76-Y95 HydrophobicContact CG2-CD2 3.95Å; I76-Y95 PolarHBondContact O-N 2.59Å; I76-A100 HydrophobicContact CB-CB 4.26Å; I76-A100 HydrophobicContact CG1-CB 3.98Å; I76-L109 HydrophobicContact CG2-CD1 4.25Å |
| 77 | I | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 155.7 | -175.3 | 59.3 | 167.4 | 0 | 0 | 0 | 110.9 | A36 V38 L47 A49 I71 V79 V91 L93 K94 | A36-I77 HydrophobicContact CB-CD1 4.47Å; A36-I77 HydrophobicContact CB-CG1 4.06Å; A36-I77 PolarHBondContact N-O 2.99Å; A36-I77 WeakPolarHBondContact O-CG1 3.49Å; A36-I77 PolarHBondContact O-N 2.88Å; V38-I77 HydrophobicContact CG2-CD1 3.88Å; V38-I77 HydrophobicContact CG2-CG1 4.2Å; V38-I77 HydrophobicContact CG2-CG2 4.03Å; L47-I77 HydrophobicContact CD1-CD1 4.07Å; A49-I77 HydrophobicContact CB-CD1 4.15Å; I71-I77 HydrophobicContact CG2-CG2 4.31Å; I77-V79 HydrophobicContact CD1-CG1 3.67Å; I77-V79 HydrophobicContact CG1-CG1 4.06Å; I77-V91 HydrophobicContact CB-CG1 4.22Å; I77-V91 HydrophobicContact CD1-CG1 4.21Å; I77-V91 HydrophobicContact CD1-CG2 3.96Å; I77-V91 HydrophobicContact CG2-CG1 4.41Å; I77-L93 CarbonylContact C-O 3.6Å; I77-L93 WeakPolarHBondContact CA-O 3.37Å; I77-L93 WeakPolarHBondContact CB-O 3.49Å; I77-K94 HydrophobicContact CG2-CB 4.47Å; I77-K94 HydrophobicContact CG2-CG 4.5Å |
| 78 | L | 96.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 125.1 | 167.6 | -172.6 | 61.7 | 0 | 0 | 0 | 108.9 | V27 K29 Q33 Y35 I92 L93 Y95 | V27-L78 HydrophobicContact CG1-CD2 4.39Å; K29-L78 HydrophobicContact CB-CD1 3.8Å; Q33-L78 HydrophobicContact CB-CD1 4.14Å; Y35-L78 HydrophobicContact CD1-CD1 4.19Å; Y35-L78 HydrophobicContact CE1-CD1 4.24Å; L78-I92 HydrophobicContact CB-CB 4.47Å; L78-I92 HydrophobicContact CD2-CB 4.38Å; L78-I92 HydrophobicContact CD2-CG2 4.22Å; L78-I92 HydrophobicContact CG-CB 4.35Å; L78-I92 PolarHBondContact O-N 3.19Å; L78-L93 HydrophobicContact CB-CB 3.99Å; L78-L93 HydrophobicContact CD2-CB 4.36Å; L78-L93 PolarHBondContact N-O 2.94Å; L78-L93 PolarHBondContact O-N 3.08Å; L78-Y95 HydrophobicContact CB-CE2 3.81Å |
| 79 | V | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 139.5 | 178.4 | -61.9 | 0 | 0 | 0 | 0 | 110.9 | Q33 E34 A36 I77 L81 A89 D90 | Q33-V79 CarbonylContact C-O 3.53Å; Q33-V79 VanDerWaalsContact CA-O 3.22Å; Q33-V79 WeakPolarHBondContact CA-O 3.28Å; Q33-V79 WeakPolarHBondContact CB-O 3.22Å; E34-V79 HydrophobicContact CB-CG2 4.23Å; E34-V79 PolarHBondContact N-O 2.85Å; E34-V79 WeakPolarHBondContact O-CG2 3.27Å; E34-V79 PolarHBondContact O-N 3.25Å; A36-V79 HydrophobicContact CB-CG1 3.97Å; A36-V79 HydrophobicContact CB-CG2 4.08Å; I77-V79 HydrophobicContact CD1-CG1 3.67Å; I77-V79 HydrophobicContact CG1-CG1 4.06Å; V79-L81 HydrophobicContact CG2-CD2 4.36Å; V79-A89 HydrophobicContact CB-CB 4.02Å; V79-A89 HydrophobicContact CG2-CB 4.35Å; V79-D90 CarbonylContact C-O 3.49Å; V79-D90 WeakPolarHBondContact CA-O 3.23Å |
| 80 | G | 96.6 | Very high | 93.8 | Very high | 12 Ų | 12 | 62.9 Ų | 62.9 | 12% | 0.124 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 124.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | A89 D90 | G80-A89 WeakPolarHBondContact O-CA 3.48Å; G80-A89 WeakPolarHBondContact O-CB 3.36Å; G80-D90 PolarHBondContact N-O 3.11Å; G80-D90 PolarHBondContact O-N 2.85Å |
| 81 | L | 95.1 | Very high | 94.1 | Very high | 56 Ų | 56 | 52.6 Ų | 52.6 | 29% | 0.293 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 156.8 | 177.6 | -53.9 | -175.1 | 0 | 0 | 0 | 110.4 | G32 E34 V79 | G32-L81 WeakPolarHBondContact O-CB 3.13Å; G32-L81 PolarHBondContact O-N 3.02Å; E34-L81 HydrophobicContact CB-CD1 4.45Å; E34-L81 HydrophobicContact CB-CD2 4.23Å; E34-L81 HydrophobicContact CB-CG 4.48Å; V79-L81 HydrophobicContact CG2-CD2 4.36Å |
| 82 | R | 93.9 | Very high | 94.2 | Very high | 54 Ų | 54 | 54.5 Ų | 54.5 | 20% | 0.204 | 28% | 0.279 | C | S | . | . | trans | -109.9 | 123.9 | 172.6 | -63.8 | 174.6 | -178.8 | -177.2 | 0.7 | 108.5 | Y84 Q85 D90 | R82-Y84 HydrophobicContact CB-CD1 4.47Å; R82-Y84 HydrophobicContact CB-CE1 4.16Å; R82-Y84 HydrophobicContact CG-CE1 4.48Å; R82-Y84 PolarHBondContact O-N 3.4Å; R82-Q85 CarbonylContact O-C 3.51Å; R82-Q85 PolarHBondContact O-N 2.85Å; R82-D90 IonicContact CZ-OD2 2.74Å; R82-D90 IonicContact NE-OD2 2.77Å; R82-D90 PolarHBondContact NE-OD2 2.84Å; R82-D90 VanDerWaalsContact NH2-CG 3.29Å; R82-D90 IonicContact NH2-OD1 3.11Å; R82-D90 PolarHBondContact NH2-OD1 2.82Å; R82-D90 VanDerWaalsContact NH2-OD1 3.11Å; R82-D90 IonicContact NH2-OD2 2.84Å; R82-D90 PolarHBondContact NH2-OD2 3.31Å | ||
| 83 | D | 90.7 | Very high | 94.3 | Very high | 156 Ų | 156 | 52.1 Ų | 52.1 | 83% | 0.834 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -36.1 | 175.1 | 57.6 | -31.8 | 0 | 0 | 0 | 113.2 | ||
| 84 | Y | 90.3 | Very high | 94.3 | Very high | 154 Ų | 154 | 50.7 Ų | 50.7 | 60% | 0.604 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -14.2 | -177.2 | 61.9 | -93.4 | 0 | 0 | 0 | 115.2 | R82 | R82-Y84 HydrophobicContact CB-CD1 4.47Å; R82-Y84 HydrophobicContact CB-CE1 4.16Å; R82-Y84 HydrophobicContact CG-CE1 4.48Å; R82-Y84 PolarHBondContact O-N 3.4Å |
| 85 | Q | 92.8 | Very high | 94.3 | Very high | 77 Ų | 77 | 48.5 Ų | 48.5 | 36% | 0.36 | 24% | 0.238 | S | C | . | . | trans | -147.2 | 86.8 | -174.3 | -92.4 | 176.2 | 35.6 | 0 | 0 | 111.6 | R82 N87 K88 | R82-Q85 CarbonylContact O-C 3.51Å; R82-Q85 PolarHBondContact O-N 2.85Å; Q85-N87 VanDerWaalsContact C-N 3.28Å; Q85-N87 PolarHBondContact O-N 2.79Å; Q85-K88 PolarHBondContact O-N 3.01Å; Q85-K88 VanDerWaalsContact O-N 3.08Å | ||
| 86 | D | 92.1 | Very high | 94.2 | Very high | 87 Ų | 87 | 50.4 Ų | 50.4 | 47% | 0.465 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -34.1 | -178.3 | -157.6 | 54.7 | 0 | 0 | 0 | 112.9 | R57 K88 | R57-D86 WeakPolarHBondContact CD-O 3.49Å; R57-D86 VanDerWaalsContact CZ-O 3.28Å; R57-D86 IonicContact CZ-OD1 3.66Å; R57-D86 IonicContact CZ-OD2 2.74Å; R57-D86 VanDerWaalsContact NH1-C 3.34Å; R57-D86 PolarHBondContact NH1-O 2.85Å; R57-D86 IonicContact NH1-OD1 3.68Å; R57-D86 PolarHBondContact NH1-OD1 3.44Å; R57-D86 IonicContact NH1-OD2 3.46Å; R57-D86 VanDerWaalsContact NH2-CG 3.31Å; R57-D86 IonicContact NH2-OD1 2.83Å; R57-D86 PolarHBondContact NH2-OD1 2.86Å; R57-D86 IonicContact NH2-OD2 3.23Å; R57-D86 PolarHBondContact NH2-OD2 2.79Å; D86-K88 PolarHBondContact O-N 3.05Å |
| 87 | N | 94 | Very high | 93.9 | Very high | 119 Ų | 119 | 50.8 Ų | 50.8 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -6.4 | 178 | -65.7 | -43.9 | 0 | 0 | 0 | 114.7 | L58 Q85 | L58-N87 PolarHBondContact N-O 2.61Å; Q85-N87 VanDerWaalsContact C-N 3.28Å; Q85-N87 PolarHBondContact O-N 2.79Å |
| 88 | K | 95.2 | Very high | 93.5 | Very high | 90 Ų | 90 | 55.7 Ų | 55.7 | 39% | 0.391 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 146.8 | -177.5 | -62.3 | -174.7 | -167.3 | 154.2 | 0 | 111.6 | L58 Q85 D86 | L58-K88 WeakPolarHBondContact O-CA 3.44Å; Q85-K88 PolarHBondContact O-N 3.01Å; Q85-K88 VanDerWaalsContact O-N 3.08Å; D86-K88 PolarHBondContact O-N 3.05Å |
| 89 | A | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 168.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R57 L58 C59 H60 V79 G80 | R57-A89 HydrophobicContact CB-CB 4.43Å; L58-A89 PolarHBondContact O-N 2.94Å; C59-A89 CarbonylContact C-O 3.54Å; C59-A89 VanDerWaalsContact CA-O 3.25Å; C59-A89 WeakPolarHBondContact CA-O 3.34Å; H60-A89 PolarHBondContact N-O 3.36Å; V79-A89 HydrophobicContact CB-CB 4.02Å; V79-A89 HydrophobicContact CG2-CB 4.35Å; G80-A89 WeakPolarHBondContact O-CA 3.48Å; G80-A89 WeakPolarHBondContact O-CB 3.36Å |
| 90 | D | 96 | Very high | 92.8 | Very high | 47 Ų | 47 | 57.5 Ų | 57.5 | 25% | 0.251 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.5 | 174.6 | -70.2 | -82.5 | 0 | 0 | 0 | 110.1 | H60 V79 G80 R82 I92 | H60-D90 WeakPolarHBondContact CB-OD1 3.25Å; H60-D90 IonicContact CG-OD1 3.86Å; H60-D90 IonicContact ND1-OD1 3.45Å; H60-D90 PolarHBondContact ND1-OD1 3.47Å; H60-D90 WeakPolarHBondContact O-CA 3.33Å; V79-D90 CarbonylContact C-O 3.49Å; V79-D90 WeakPolarHBondContact CA-O 3.23Å; G80-D90 PolarHBondContact N-O 3.11Å; G80-D90 PolarHBondContact O-N 2.85Å; R82-D90 IonicContact CZ-OD2 2.74Å; R82-D90 IonicContact NE-OD2 2.77Å; R82-D90 PolarHBondContact NE-OD2 2.84Å; R82-D90 VanDerWaalsContact NH2-CG 3.29Å; R82-D90 IonicContact NH2-OD1 3.11Å; R82-D90 PolarHBondContact NH2-OD1 2.82Å; R82-D90 VanDerWaalsContact NH2-OD1 3.11Å; R82-D90 IonicContact NH2-OD2 2.84Å; R82-D90 PolarHBondContact NH2-OD2 3.31Å; D90-I92 PolarHBondContact O-N 2.62Å |
| 91 | V | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 124.3 | 179.4 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | L47 C59 H60 I61 R62 L65 I71 I77 | L47-V91 HydrophobicContact CD2-CG2 4.19Å; C59-V91 HydrophobicContact CB-CG2 3.88Å; H60-V91 PolarHBondContact O-N 2.86Å; I61-V91 HydrophobicContact CG1-CG2 4.42Å; R62-V91 WeakPolarHBondContact CB-O 3.37Å; L65-V91 HydrophobicContact CD2-CG1 4.45Å; I71-V91 HydrophobicContact CD1-CG1 3.98Å; I77-V91 HydrophobicContact CB-CG1 4.22Å; I77-V91 HydrophobicContact CD1-CG1 4.21Å; I77-V91 HydrophobicContact CD1-CG2 3.96Å; I77-V91 HydrophobicContact CG2-CG1 4.41Å |
| 92 | I | 95.3 | Very high | 92.2 | Very high | 51 Ų | 51 | 61.5 Ų | 61.5 | 26% | 0.262 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -47.2 | -178.7 | -61.5 | 176 | 0 | 0 | 0 | 111.2 | Q33 L65 L78 D90 | Q33-I92 HydrophobicContact CG-CD1 3.8Å; L65-I92 VanDerWaalsContact CD1-O 3.27Å; L65-I92 WeakPolarHBondContact CD1-O 3.4Å; L78-I92 HydrophobicContact CB-CB 4.47Å; L78-I92 HydrophobicContact CD2-CB 4.38Å; L78-I92 HydrophobicContact CD2-CG2 4.22Å; L78-I92 HydrophobicContact CG-CB 4.35Å; L78-I92 PolarHBondContact O-N 3.19Å; D90-I92 PolarHBondContact O-N 2.62Å |
| 93 | L | 94.2 | Very high | 92 | Very high | 46 Ų | 46 | 58.9 Ų | 58.9 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 149 | -173.9 | -175.9 | 63.5 | 0 | 0 | 0 | 110.1 | V27 I77 L78 Y95 | V27-L93 HydrophobicContact CB-CD2 3.88Å; V27-L93 HydrophobicContact CG1-CD2 4.47Å; V27-L93 HydrophobicContact CG2-CD2 4.1Å; I77-L93 CarbonylContact C-O 3.6Å; I77-L93 WeakPolarHBondContact CA-O 3.37Å; I77-L93 WeakPolarHBondContact CB-O 3.49Å; L78-L93 HydrophobicContact CB-CB 3.99Å; L78-L93 HydrophobicContact CD2-CB 4.36Å; L78-L93 PolarHBondContact N-O 2.94Å; L78-L93 PolarHBondContact O-N 3.08Å; L93-Y95 HydrophobicContact CD2-CD1 4.37Å; L93-Y95 HydrophobicContact CD2-CE1 3.87Å |
| 94 | K | 93.4 | Very high | 92 | Very high | 37 Ų | 37 | 55.5 Ų | 55.5 | 16% | 0.161 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 132.7 | 165.1 | 179.9 | -150.3 | 169.4 | -166.9 | 0 | 107 | V69 D75 I77 | V69-K94 HydrophobicContact CG1-CB 3.7Å; V69-K94 HydrophobicContact CG1-CD 3.49Å; V69-K94 VanDerWaalsContact CG1-CD 3.49Å; V69-K94 HydrophobicContact CG1-CG 4.19Å; D75-K94 WeakPolarHBondContact OD2-CE 3.49Å; I77-K94 HydrophobicContact CG2-CB 4.47Å; I77-K94 HydrophobicContact CG2-CG 4.5Å |
| 95 | Y | 92.5 | Very high | 91.9 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | trans | -88.7 | 143.9 | 171.4 | -63.7 | -75.5 | 0 | 0 | 0 | 110.7 | L26 V27 Y35 I76 L78 L93 E99 L103 | L26-Y95 HydrophobicContact CD1-CD1 4.27Å; L26-Y95 HydrophobicContact CD1-CE1 4.29Å; V27-Y95 WeakPolarHBondContact O-CE1 3.39Å; V27-Y95 PolarHBondContact O-OH 3.19Å; Y35-Y95 AromaticContact CD1-CE2 3.81Å; Y35-Y95 HydrophobicContact CD1-CE2 3.81Å; Y35-Y95 AromaticContact CE1-CE2 3.87Å; Y35-Y95 HydrophobicContact CE1-CE2 3.87Å; Y35-Y95 AromaticContact CE1-CZ 3.8Å; Y35-Y95 WeakPolarHBondContact CE1-OH 3.47Å; I76-Y95 HydrophobicContact CG2-CD2 3.95Å; I76-Y95 PolarHBondContact O-N 2.59Å; L78-Y95 HydrophobicContact CB-CE2 3.81Å; L93-Y95 HydrophobicContact CD2-CD1 4.37Å; L93-Y95 HydrophobicContact CD2-CE1 3.87Å; Y95-E99 VanDerWaalsContact CA-OE2 3.29Å; Y95-E99 WeakPolarHBondContact CA-OE2 3.4Å; Y95-E99 HydrophobicContact CD1-CB 4.05Å; Y95-L103 HydrophobicContact CD1-CD1 3.85Å; Y95-L103 HydrophobicContact CD2-CD1 4Å; Y95-L103 HydrophobicContact CE1-CD1 3.86Å; Y95-L103 HydrophobicContact CE2-CD1 4Å; Y95-L103 HydrophobicContact CG-CD1 3.91Å | ||
| 96 | N | 90.6 | Very high | 91.8 | Very high | 62 Ų | 62 | 56.2 Ų | 56.2 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | trans | -73.9 | 165.8 | 167.3 | -70.3 | -9.4 | 0 | 0 | 0 | 110.6 | D98 E99 A100 | N96-D98 VanDerWaalsContact C-N 3.26Å; N96-D98 PolarHBondContact O-N 3.45Å; N96-E99 HydrophobicContact CB-CG 4.33Å; N96-E99 PolarHBondContact N-OE2 2.83Å; N96-E99 PolarHBondContact O-N 2.9Å; N96-A100 WeakPolarHBondContact O-CB 2.83Å; N96-A100 PolarHBondContact O-N 2.92Å | ||
| 97 | A | 87.6 | Confident | 91.6 | Very high | 14 Ų | 14 | 55 Ų | 55 | 12% | 0.116 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.7 | -39.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | A100 R101 I115 | A97-A100 PolarHBondContact O-N 2.9Å; A97-R101 WeakPolarHBondContact O-CG 3.43Å; A97-R101 PolarHBondContact O-N 3.27Å; A97-I115 HydrophobicContact CB-CG2 4.41Å |
| 98 | D | 87.3 | Confident | 91.3 | Very high | 102 Ų | 102 | 52.7 Ų | 52.7 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 177.6 | -68.2 | -25.3 | 0 | 0 | 0 | 113 | N96 A100 R101 S102 | N96-D98 VanDerWaalsContact C-N 3.26Å; N96-D98 PolarHBondContact O-N 3.45Å; D98-A100 VanDerWaalsContact C-N 3.35Å; D98-R101 PolarHBondContact O-N 3.25Å; D98-R101 IonicContact OD1-CZ 3.75Å; D98-R101 IonicContact OD1-NH1 3.85Å; D98-R101 PolarHBondContact OD1-NH1 2.8Å; D98-S102 PolarHBondContact O-N 2.91Å; D98-S102 PolarHBondContact O-OG 2.95Å |
| 99 | E | 89.5 | Confident | 90.9 | Very high | 37 Ų | 37 | 48.8 Ų | 48.8 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 175.3 | -67.7 | 176.3 | 148.6 | 0 | 0 | 110.6 | L26 Y95 N96 R101 S102 L103 | L26-E99 HydrophobicContact CD1-CB 3.66Å; L26-E99 HydrophobicContact CD1-CG 3.94Å; Y95-E99 VanDerWaalsContact CA-OE2 3.29Å; Y95-E99 WeakPolarHBondContact CA-OE2 3.4Å; Y95-E99 HydrophobicContact CD1-CB 4.05Å; N96-E99 HydrophobicContact CB-CG 4.33Å; N96-E99 PolarHBondContact N-OE2 2.83Å; N96-E99 PolarHBondContact O-N 2.9Å; E99-R101 VanDerWaalsContact C-N 3.34Å; E99-R101 PolarHBondContact O-N 2.9Å; E99-S102 WeakPolarHBondContact O-CB 3.47Å; E99-S102 PolarHBondContact O-N 2.78Å; E99-S102 VanDerWaalsContact O-N 3.15Å; E99-L103 WeakPolarHBondContact O-CG 3.15Å; E99-L103 PolarHBondContact O-N 2.95Å |
| 100 | A | 89.9 | Confident | 90.3 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I76 N96 A97 D98 S102 L103 K104 I115 | I76-A100 HydrophobicContact CB-CB 4.26Å; I76-A100 HydrophobicContact CG1-CB 3.98Å; N96-A100 WeakPolarHBondContact O-CB 2.83Å; N96-A100 PolarHBondContact O-N 2.92Å; A97-A100 PolarHBondContact O-N 2.9Å; D98-A100 VanDerWaalsContact C-N 3.35Å; A100-S102 VanDerWaalsContact C-N 3.34Å; A100-L103 PolarHBondContact O-N 3.41Å; A100-K104 PolarHBondContact O-N 3.11Å; A100-I115 HydrophobicContact CB-CD1 3.97Å; A100-I115 HydrophobicContact CB-CG1 4.12Å; A100-I115 HydrophobicContact CB-CG2 3.88Å |
| 101 | R | 88.4 | Confident | 89.4 | Confident | 102 Ų | 102 | 56.8 Ų | 56.8 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 172.8 | -69.7 | -175.3 | -162.4 | 116.8 | -4.3 | 111.5 | A97 D98 E99 K104 A105 I115 E117 | A97-R101 WeakPolarHBondContact O-CG 3.43Å; A97-R101 PolarHBondContact O-N 3.27Å; D98-R101 PolarHBondContact O-N 3.25Å; D98-R101 IonicContact OD1-CZ 3.75Å; D98-R101 IonicContact OD1-NH1 3.85Å; D98-R101 PolarHBondContact OD1-NH1 2.8Å; E99-R101 VanDerWaalsContact C-N 3.34Å; E99-R101 PolarHBondContact O-N 2.9Å; R101-K104 WeakPolarHBondContact O-CB 3.31Å; R101-K104 PolarHBondContact O-N 3.45Å; R101-A105 PolarHBondContact O-N 3.03Å; R101-I115 HydrophobicContact CG-CD1 4.05Å; R101-E117 IonicContact CZ-OE1 3.94Å; R101-E117 IonicContact NE-OE1 3.41Å; R101-E117 IonicContact NH2-OE1 2.67Å; R101-E117 PolarHBondContact NH2-OE1 3.11Å |
| 102 | S | 90.3 | Very high | 88.4 | Confident | 50 Ų | 50 | 64.1 Ų | 64.1 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 176.2 | -56.3 | 0 | 0 | 0 | 0 | 111 | D98 E99 A100 K104 A105 Y106 | D98-S102 PolarHBondContact O-N 2.91Å; D98-S102 PolarHBondContact O-OG 2.95Å; E99-S102 WeakPolarHBondContact O-CB 3.47Å; E99-S102 PolarHBondContact O-N 2.78Å; E99-S102 VanDerWaalsContact O-N 3.15Å; A100-S102 VanDerWaalsContact C-N 3.34Å; S102-K104 VanDerWaalsContact C-N 3.26Å; S102-K104 PolarHBondContact O-N 2.81Å; S102-A105 WeakPolarHBondContact O-CA 3.42Å; S102-A105 WeakPolarHBondContact O-CB 3.32Å; S102-A105 PolarHBondContact O-N 3.49Å; S102-Y106 WeakPolarHBondContact O-CD2 3.3Å; S102-Y106 PolarHBondContact O-N 2.91Å |
| 103 | L | 90.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.2 | -38.2 | 174.9 | -73.3 | 170.1 | 0 | 0 | 0 | 112.5 | L26 F28 Y35 Y95 E99 A100 Y106 G107 E108 L109 | L26-L103 HydrophobicContact CD1-CD2 4.44Å; L26-L103 HydrophobicContact CD1-CG 4.2Å; L26-L103 HydrophobicContact CD2-CD2 4.1Å; L26-L103 HydrophobicContact CD2-CG 4.28Å; L26-L103 HydrophobicContact CG-CD2 4.42Å; F28-L103 HydrophobicContact CD1-CD2 4.15Å; F28-L103 HydrophobicContact CE1-CD2 4.2Å; Y35-L103 HydrophobicContact CD1-CD1 4.35Å; Y35-L103 HydrophobicContact CE1-CD1 3.9Å; Y35-L103 HydrophobicContact CE1-CD2 3.97Å; Y35-L103 WeakPolarHBondContact OH-CD2 3.49Å; Y95-L103 HydrophobicContact CD1-CD1 3.85Å; Y95-L103 HydrophobicContact CD2-CD1 4Å; Y95-L103 HydrophobicContact CE1-CD1 3.86Å; Y95-L103 HydrophobicContact CE2-CD1 4Å; Y95-L103 HydrophobicContact CG-CD1 3.91Å; E99-L103 WeakPolarHBondContact O-CG 3.15Å; E99-L103 PolarHBondContact O-N 2.95Å; A100-L103 PolarHBondContact O-N 3.41Å; L103-Y106 PolarHBondContact O-N 3.41Å; L103-G107 PolarHBondContact O-N 2.88Å; L103-E108 HydrophobicContact CB-CB 4.48Å; L103-E108 HydrophobicContact CD2-CB 4.19Å; L103-E108 HydrophobicContact CD2-CG 4.31Å; L103-E108 PolarHBondContact O-N 2.85Å; L103-L109 HydrophobicContact CB-CD1 3.69Å; L103-L109 HydrophobicContact CB-CG 3.96Å; L103-L109 HydrophobicContact CD1-CD1 4.37Å |
| 104 | K | 89.6 | Confident | 86.9 | Confident | 84 Ų | 84 | 68 Ų | 68 | 37% | 0.365 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 173 | -170.6 | -179.8 | -173.3 | 172.8 | 0 | 111.9 | A100 R101 S102 Y106 G107 E111 I115 | A100-K104 PolarHBondContact O-N 3.11Å; R101-K104 WeakPolarHBondContact O-CB 3.31Å; R101-K104 PolarHBondContact O-N 3.45Å; S102-K104 VanDerWaalsContact C-N 3.26Å; S102-K104 PolarHBondContact O-N 2.81Å; K104-Y106 VanDerWaalsContact C-N 3.29Å; K104-Y106 PolarHBondContact O-N 3.02Å; K104-G107 PolarHBondContact O-N 2.99Å; K104-G107 VanDerWaalsContact O-N 3.1Å; K104-E111 WeakPolarHBondContact CE-O 3.5Å; K104-E111 PolarHBondContact NZ-O 2.84Å; K104-I115 HydrophobicContact CD-CD1 4.34Å |
| 105 | A | 88.3 | Confident | 86.5 | Confident | 90 Ų | 90 | 68 Ų | 68 | 74% | 0.744 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.2 | -32.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R101 S102 G107 | R101-A105 PolarHBondContact O-N 3.03Å; S102-A105 WeakPolarHBondContact O-CA 3.42Å; S102-A105 WeakPolarHBondContact O-CB 3.32Å; S102-A105 PolarHBondContact O-N 3.49Å; A105-G107 VanDerWaalsContact C-N 3.26Å; A105-G107 PolarHBondContact O-N 3.17Å |
| 106 | Y | 89.8 | Confident | 85.7 | Confident | 156 Ų | 156 | 70.8 Ų | 70.8 | 61% | 0.612 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -9.2 | 173.2 | -71.5 | -64.8 | 0 | 0 | 0 | 113.9 | L26 F28 S102 L103 K104 E108 | L26-Y106 HydrophobicContact CD2-CD2 3.97Å; L26-Y106 HydrophobicContact CD2-CE2 3.84Å; F28-Y106 HydrophobicContact CE1-CD2 4.04Å; F28-Y106 HydrophobicContact CE1-CG 4.2Å; F28-Y106 AromaticContact CZ-CD2 4Å; F28-Y106 HydrophobicContact CZ-CD2 4Å; F28-Y106 HydrophobicContact CZ-CE2 4.13Å; F28-Y106 HydrophobicContact CZ-CG 4.33Å; S102-Y106 WeakPolarHBondContact O-CD2 3.3Å; S102-Y106 PolarHBondContact O-N 2.91Å; L103-Y106 PolarHBondContact O-N 3.41Å; K104-Y106 VanDerWaalsContact C-N 3.29Å; K104-Y106 PolarHBondContact O-N 3.02Å; Y106-E108 VanDerWaalsContact C-N 3.33Å |
| 107 | G | 88.7 | Confident | 84.4 | Confident | 61 Ų | 61 | 74.5 Ų | 74.5 | 63% | 0.629 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 11.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L103 K104 A105 L109 | L103-G107 PolarHBondContact O-N 2.88Å; K104-G107 PolarHBondContact O-N 2.99Å; K104-G107 VanDerWaalsContact O-N 3.1Å; A105-G107 VanDerWaalsContact C-N 3.26Å; A105-G107 PolarHBondContact O-N 3.17Å; G107-L109 VanDerWaalsContact C-N 3.31Å |
| 108 | E | 88.8 | Confident | 82.9 | Confident | 72 Ų | 72 | 78.6 Ų | 78.6 | 34% | 0.336 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -74.7 | -24.6 | 176.4 | -69.2 | -61.5 | 152.4 | 0 | 0 | 112.4 | F28 Y35 L103 Y106 | F28-E108 HydrophobicContact CD1-CG 4.16Å; F28-E108 HydrophobicContact CE1-CG 4.34Å; Y35-E108 HydrophobicContact CD2-CB 4.49Å; Y35-E108 HydrophobicContact CE2-CB 3.78Å; Y35-E108 HydrophobicContact CE2-CG 4.25Å; Y35-E108 WeakPolarHBondContact CE2-OE2 3.44Å; L103-E108 HydrophobicContact CB-CB 4.48Å; L103-E108 HydrophobicContact CD2-CB 4.19Å; L103-E108 HydrophobicContact CD2-CG 4.31Å; L103-E108 PolarHBondContact O-N 2.85Å; Y106-E108 VanDerWaalsContact C-N 3.33Å |
| 109 | L | 86.3 | Confident | 81.2 | Confident | 7 Ų | 7 | 77.2 Ų | 77.2 | 4% | 0.037 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -112.7 | 140.8 | 178.4 | -62.6 | 176.1 | 0 | 0 | 0 | 110.6 | Y35 F52 I76 L103 G107 | Y35-L109 HydrophobicContact CD2-CD2 4.42Å; Y35-L109 HydrophobicContact CG-CD2 4.1Å; F52-L109 HydrophobicContact CD2-CD2 3.69Å; F52-L109 HydrophobicContact CE2-CD2 3.39Å; F52-L109 HydrophobicContact CG-CD2 4.4Å; F52-L109 HydrophobicContact CZ-CD2 3.86Å; I76-L109 HydrophobicContact CG2-CD1 4.25Å; L103-L109 HydrophobicContact CB-CD1 3.69Å; L103-L109 HydrophobicContact CB-CG 3.96Å; L103-L109 HydrophobicContact CD1-CD1 4.37Å; G107-L109 VanDerWaalsContact C-N 3.31Å |
| 110 | P | 84.7 | Confident | 79.1 | Confident | 43 Ų | 43 | 81.2 Ų | 81.2 | 28% | 0.279 | 43% | 0.429 | S | S | . | . | trans | -58.2 | 145.2 | 173.4 | -21.8 | 32 | 0 | 0 | 0 | 112.2 | F52 H112 A113 | F52-P110 VanDerWaalsContact CD1-CD 3.45Å; F52-P110 HydrophobicContact CD1-CG 3.68Å; F52-P110 HydrophobicContact CE1-CG 4.17Å; P110-H112 WeakPolarHBondContact CB-CE1 3.45Å; P110-H112 WeakPolarHBondContact CB-ND1 3.5Å; P110-H112 PolarHBondContact O-N 3.43Å; P110-A113 VanDerWaalsContact O-CB 3.28Å; P110-A113 WeakPolarHBondContact O-CB 3.29Å; P110-A113 PolarHBondContact O-N 2.88Å | ||
| 111 | E | 75.9 | Confident | 77.2 | Confident | 172 Ų | 172 | 89.6 Ų | 89.6 | 80% | 0.804 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.8 | -177.9 | -75.5 | -166.5 | 151.6 | 0 | 0 | 114.1 | K104 A113 | K104-E111 WeakPolarHBondContact CE-O 3.5Å; K104-E111 PolarHBondContact NZ-O 2.84Å; E111-A113 VanDerWaalsContact C-N 3.31Å |
| 112 | H | 74.8 | Confident | 75.1 | Confident | 155 Ų | 155 | 87 Ų | 87 | 72% | 0.718 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 1.1 | -179 | 64.8 | -92.2 | 0 | 0 | 0 | 113.9 | P110 K114 | P110-H112 WeakPolarHBondContact CB-CE1 3.45Å; P110-H112 WeakPolarHBondContact CB-ND1 3.5Å; P110-H112 PolarHBondContact O-N 3.43Å; H112-K114 PolarHBondContact O-N 3.03Å |
| 113 | A | 78.9 | Confident | 73 | Confident | 9 Ų | 9 | 91.6 Ų | 91.6 | 7% | 0.074 | 50% | 0.499 | C | S | . | . | trans | -61.3 | 119.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | F52 P110 E111 I115 | F52-A113 HydrophobicContact CE1-CB 4.07Å; F52-A113 HydrophobicContact CZ-CB 4.11Å; P110-A113 VanDerWaalsContact O-CB 3.28Å; P110-A113 WeakPolarHBondContact O-CB 3.29Å; P110-A113 PolarHBondContact O-N 2.88Å; E111-A113 VanDerWaalsContact C-N 3.31Å; A113-I115 PolarHBondContact O-N 3.07Å | ||
| 114 | K | 80.2 | Confident | 70.9 | Confident | 168 Ų | 168 | 94 Ų | 94 | 73% | 0.73 | 52% | 0.524 | S | S | * | . | trans | -82 | 102.9 | 177.5 | -66.9 | -176.5 | 179.7 | -177.9 | 0 | 108.9 | Q37 H112 | Q37-K114 PolarHBondContact NE2-O 3.23Å; H112-K114 PolarHBondContact O-N 3.03Å | ||
| 115 | I | 83.3 | Confident | 68.8 | Low | 37 Ų | 37 | 96.5 Ų | 96.5 | 19% | 0.19 | 54% | 0.541 | C | S | . | . | trans | -83.6 | 127.8 | 176.1 | -57.7 | 168.6 | 0 | 0 | 0 | 107.7 | A97 A100 R101 K104 A113 | A97-I115 HydrophobicContact CB-CG2 4.41Å; A100-I115 HydrophobicContact CB-CD1 3.97Å; A100-I115 HydrophobicContact CB-CG1 4.12Å; A100-I115 HydrophobicContact CB-CG2 3.88Å; R101-I115 HydrophobicContact CG-CD1 4.05Å; K104-I115 HydrophobicContact CD-CD1 4.34Å; A113-I115 PolarHBondContact O-N 3.07Å | ||
| 116 | N | 77.2 | Confident | 66.8 | Low | 64 Ų | 64 | 100 Ų | 100 | 34% | 0.342 | 55% | 0.548 | S | S | . | . | trans | -78.9 | 128.9 | 175.6 | -165.2 | 5.9 | 0 | 0 | 0 | 109.7 | T118 | N116-T118 VanDerWaalsContact C-N 3.32Å; N116-T118 PolarHBondContact OD1-OG1 3.06Å | ||
| 117 | E | 63.4 | Low | 64.8 | Low | 139 Ų | 139 | 98.5 Ų | 98.5 | 65% | 0.65 | 55% | 0.55 | S | S | * | * | trans | -97.7 | 30.6 | -179.8 | -60.8 | -166.5 | 145 | 0 | 0 | 111.9 | R101 D119 | R101-E117 IonicContact CZ-OE1 3.94Å; R101-E117 IonicContact NE-OE1 3.41Å; R101-E117 IonicContact NH2-OE1 2.67Å; R101-E117 PolarHBondContact NH2-OE1 3.11Å; E117-D119 VanDerWaalsContact C-N 3.31Å; E117-D119 PolarHBondContact O-N 3.25Å | ||
| 118 | T | 54.9 | Low | 63 | Low | 101 Ų | 101 | 103.2 Ų | 103.2 | 62% | 0.62 | 56% | 0.556 | S | S | * | * | trans | -95.9 | 54.5 | 176.1 | -44.9 | 0 | 0 | 0 | 0 | 110.7 | N116 | N116-T118 VanDerWaalsContact C-N 3.32Å; N116-T118 PolarHBondContact OD1-OG1 3.06Å | ||
| 119 | D | 51.5 | Low | 61.5 | Low | 73 Ų | 73 | 107 Ų | 107 | 39% | 0.39 | 58% | 0.577 | S | S | . | * | trans | -91.8 | 107.5 | 154.1 | -109.7 | -27.3 | 0 | 0 | 0 | 106.2 | E117 F121 | E117-D119 VanDerWaalsContact C-N 3.31Å; E117-D119 PolarHBondContact O-N 3.25Å; D119-F121 PolarHBondContact O-N 2.74Å | ||
| 120 | T | 46.3 | Very low | 60 | Low | 120 Ų | 120 | 113.4 Ų | 113.4 | 74% | 0.736 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -64 | 5.4 | 174.9 | -44.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 121 | F | 49 | Very low | 58.5 | Low | 179 Ų | 179 | 120.8 Ų | 120.8 | 79% | 0.785 | 64% | 0.635 | S | S | * | * | trans | -128.6 | 77.6 | 175.9 | -62.1 | -83.3 | 0 | 0 | 0 | 108.1 | D119 | D119-F121 PolarHBondContact O-N 2.74Š| ||
| 122 | G | 44.5 | Very low | 57.1 | Low | 48 Ų | 48 | 118.6 Ų | 118.6 | 50% | 0.495 | 63% | 0.629 | S | S | . | * | trans | -62.5 | 166.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | G124 | G122-G124 PolarHBondContact O-N 2.81Š| ||
| 123 | P | 46.6 | Very low | 56.1 | Low | 145 Ų | 145 | 118.8 Ų | 118.8 | 94% | 0.942 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -71.1 | 42.4 | 169.8 | 33 | -35.7 | 0 | 0 | 0 | 111.7 | ||
| 124 | G | 46.8 | Very low | 54.9 | Low | 52 Ų | 52 | 125.8 Ų | 125.8 | 54% | 0.536 | 67% | 0.669 | S | S | . | * | trans | -113.5 | 116.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108 | G122 | G122-G124 PolarHBondContact O-N 2.81Š| ||
| 125 | D | 45.3 | Very low | 53.6 | Low | 135 Ų | 135 | 120.2 Ų | 120.2 | 72% | 0.722 | 66% | 0.66 | S | S | * | * | trans | 74.1 | 62.4 | 165.8 | -45.1 | -25 | 0 | 0 | 0 | 115.4 | D127 | D125-D127 HydrophobicContact CB-CB 4.37Å; D125-D127 PolarHBondContact O-N 2.79Å; D125-D127 VanDerWaalsContact O-N 3.11Å | ||
| 126 | D | 46.6 | Very low | 52.2 | Low | 165 Ų | 165 | 126 Ų | 126 | 88% | 0.882 | 69% | 0.691 | S | S | * | * | trans | -72 | 48.6 | 136.3 | -142.6 | 17.7 | 0 | 0 | 0 | 108.2 | E128 | D126-E128 PolarHBondContact O-N 2.78Š| ||
| 127 | D | 46.5 | Very low | 51 | Low | 124 Ų | 124 | 129.8 Ų | 129.8 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | trans | -61.9 | 100.2 | 164.3 | -92.6 | -23.8 | 0 | 0 | 0 | 104.5 | D125 I129 | D125-D127 HydrophobicContact CB-CB 4.37Å; D125-D127 PolarHBondContact O-N 2.79Å; D125-D127 VanDerWaalsContact O-N 3.11Å; D127-I129 PolarHBondContact O-N 2.89Å | ||
| 128 | E | 50.7 | Low | 50.6 | Low | 159 Ų | 159 | 130.5 Ų | 130.5 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | trans | -42.8 | 102.4 | 172.5 | -68.1 | -180 | 166.3 | 0 | 0 | 108.2 | D126 Q130 | D126-E128 PolarHBondContact O-N 2.78Å; E128-Q130 PolarHBondContact O-N 2.81Å | ||
| 129 | I | 59.2 | Low | 50.7 | Low | 151 Ų | 151 | 133.9 Ų | 133.9 | 77% | 0.774 | 73% | 0.728 | S | S | * | * | trans | -70.5 | 84.3 | 160.7 | -56.2 | 179.1 | 0 | 0 | 0 | 104.7 | D127 F131 | D127-I129 PolarHBondContact O-N 2.89Å; I129-F131 VanDerWaalsContact C-N 3.32Å; I129-F131 HydrophobicContact CG2-CD2 4.3Å; I129-F131 PolarHBondContact O-N 3.08Å | ||
| 130 | Q | 54.8 | Low | 50.9 | Low | 143 Ų | 143 | 137.4 Ų | 137.4 | 67% | 0.668 | 75% | 0.747 | S | S | * | * | trans | -58.3 | 105.1 | 156.8 | -86.9 | -173.8 | -9.2 | 0 | 0 | 105.7 | E128 D132 | E128-Q130 PolarHBondContact O-N 2.81Å; Q130-D132 PolarHBondContact O-N 2.73Å | ||
| 131 | F | 51.5 | Low | 51.3 | Low | 197 Ų | 197 | 139.7 Ų | 139.7 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | trans | -63 | 89.8 | 156.6 | -109.4 | -96.1 | 0 | 0 | 0 | 105.5 | I129 D133 | I129-F131 VanDerWaalsContact C-N 3.32Å; I129-F131 HydrophobicContact CG2-CD2 4.3Å; I129-F131 PolarHBondContact O-N 3.08Å; F131-D133 PolarHBondContact O-N 3.44Å | ||
| 132 | D | 47.3 | Very low | 51.5 | Low | 126 Ų | 126 | 137.9 Ų | 137.9 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | trans | -57 | 125 | 156.9 | -102.5 | -14.7 | 0 | 0 | 0 | 105.8 | Q130 I134 | Q130-D132 PolarHBondContact O-N 2.73Å; D132-I134 PolarHBondContact O-N 2.91Å | ||
| 133 | D | 52.8 | Low | 51.9 | Low | 160 Ų | 160 | 143 Ų | 143 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | -62.9 | 84.6 | 173.5 | -164.6 | 29.7 | 0 | 0 | 0 | 106.1 | F131 G135 | F131-D133 PolarHBondContact O-N 3.44Å; D133-G135 PolarHBondContact O-N 2.94Å | ||
| 134 | I | 54.8 | Low | 51.8 | Low | 155 Ų | 155 | 147.8 Ų | 147.8 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | trans | -60.6 | 97.9 | 170.2 | -70.8 | 175.3 | 0 | 0 | 0 | 104.6 | D132 | D132-I134 PolarHBondContact O-N 2.91Š| ||
| 135 | G | 52.1 | Low | 52 | Low | 51 Ų | 51 | 152.6 Ų | 152.6 | 53% | 0.526 | 80% | 0.795 | S | S | . | * | trans | -49.9 | 140.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | D133 D137 | D133-G135 PolarHBondContact O-N 2.94Å; G135-D137 PolarHBondContact O-N 3.39Å | ||
| 136 | D | 54.7 | Low | 52.4 | Low | 158 Ų | 158 | 153.5 Ų | 153.5 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -58.1 | 61.2 | -179.9 | -148.8 | 18.2 | 0 | 0 | 0 | 112.4 | ||
| 137 | D | 51.2 | Low | 52.7 | Low | 144 Ų | 144 | 152.8 Ų | 152.8 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -115.9 | 88.7 | 167.1 | -84.1 | -23.3 | 0 | 0 | 0 | 108.3 | G135 E139 | G135-D137 PolarHBondContact O-N 3.39Å; D137-E139 PolarHBondContact O-N 3.42Å; D137-E139 VanDerWaalsContact O-N 3.08Å | ||
| 138 | D | 56.3 | Low | 53 | Low | 154 Ų | 154 | 154.5 Ų | 154.5 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -54.5 | 101.1 | 157.3 | -77.6 | -45.9 | 0 | 0 | 0 | 108.9 | ||||
| 139 | E | 55.4 | Low | 53.2 | Low | 172 Ų | 172 | 154.3 Ų | 154.3 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -127.7 | 97.2 | 157.8 | -75.7 | -165.4 | -163.6 | 0 | 0 | 109.6 | D137 | D137-E139 PolarHBondContact O-N 3.42Å; D137-E139 VanDerWaalsContact O-N 3.08Å | ||
| 140 | D | 55.8 | Low | 52.8 | Low | 147 Ų | 147 | 154.5 Ų | 154.5 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | 32.4 | 93.3 | 143.6 | -54.9 | -33.1 | 0 | 0 | 0 | 117.7 | ||||
| 141 | I | 56 | Low | 52.6 | Low | 168 Ų | 168 | 155.3 Ų | 155.3 | 86% | 0.862 | 82% | 0.818 | S | S | * | * | trans | -93.2 | 92.6 | 153.1 | -71.8 | 174.9 | 0 | 0 | 0 | 107.6 | ||||
| 142 | D | 53.3 | Low | 52.7 | Low | 141 Ų | 141 | 152.1 Ų | 152.1 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | trans | -76.2 | 134 | 156.9 | -81 | -32.9 | 0 | 0 | 0 | 109.6 | ||||
| 143 | D | 52.7 | Low | 53.2 | Low | 157 Ų | 157 | 154.3 Ų | 154.3 | 84% | 0.84 | 83% | 0.826 | S | S | * | * | trans | 54.8 | 102 | 160.9 | -70.9 | -25.2 | 0 | 0 | 0 | 120.1 | ||||
| 144 | I | 43.1 | Very low | 53.2 | Low | 244 Ų | 244 | 153.7 Ų | 153.7 | 100% | 1.251 | 82% | 0.823 | S | S | * | * | -153.9 | 0 | 124.7 | -134.1 | 166 | 0 | 0 | 0 | 113.4 |
Retrieved 144 of 144 residues in 260.3 ms
(Link to these results)