| 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 | 53.5 | Low | 232 Ų | 232 | 152.6 Ų | 152.6 | 100% | 1.143 | 83% | 0.825 | S | S | * | * | 0 | 119.3 | 0 | -78.4 | 175.6 | 173.2 | 0 | 0 | 108.5 | K3 | M1-K3 PolarHBondContact O-N 2.95Š| |||
| 2 | P | 49.9 | Very low | 53.7 | Low | 133 Ų | 133 | 153.7 Ų | 153.7 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -72.4 | 123.4 | -176.9 | -2.4 | 18.4 | 0 | 0 | 0 | 109.5 | N4 | P2-N4 PolarHBondContact O-N 3.08Š| ||
| 3 | K | 51.6 | Low | 54.4 | Low | 204 Ų | 204 | 160.5 Ų | 160.5 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | -75.6 | 123.1 | 174.9 | -80.2 | 179.5 | 177.2 | 172.2 | 0 | 109 | M1 K5 | M1-K3 PolarHBondContact O-N 2.95Å; K3-K5 PolarHBondContact O-N 3.02Å | ||
| 4 | N | 48 | Very low | 54.9 | Low | 165 Ų | 165 | 166.4 Ų | 166.4 | 88% | 0.882 | 82% | 0.823 | S | S | * | * | trans | -50.9 | 104.5 | 172.2 | -101.3 | 13.3 | 0 | 0 | 0 | 110.9 | P2 G6 | P2-N4 PolarHBondContact O-N 3.08Å; N4-G6 PolarHBondContact O-N 3.12Å | ||
| 5 | K | 53.1 | Low | 55.2 | Low | 217 Ų | 217 | 160.3 Ų | 160.3 | 94% | 0.943 | 82% | 0.821 | S | S | * | * | trans | -77.4 | 64.4 | 167.8 | -131.6 | 171 | -173.7 | 177.6 | 0 | 108 | K3 K7 | K3-K5 PolarHBondContact O-N 3.02Å; K5-K7 PolarHBondContact O-N 3.15Å | ||
| 6 | G | 54.8 | Low | 55.5 | Low | 60 Ų | 60 | 162 Ų | 162 | 62% | 0.619 | 82% | 0.82 | S | S | * | * | trans | -66.8 | 125.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | N4 G8 | N4-G6 PolarHBondContact O-N 3.12Å; G6-G8 PolarHBondContact O-N 2.8Å | ||
| 7 | K | 54.1 | Low | 55.5 | Low | 181 Ų | 181 | 157.6 Ų | 157.6 | 79% | 0.787 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -65 | 55.6 | 172.1 | -111.2 | 177 | -179.5 | 175 | 0 | 111.2 | K5 R12 | K5-K7 PolarHBondContact O-N 3.15Å; K7-R12 PolarHBondContact O-NE 2.96Å; K7-R12 PolarHBondContact O-NH1 3.33Å |
| 8 | G | 57.8 | Low | 55.5 | Low | 64 Ų | 64 | 158 Ų | 158 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | trans | -170.1 | 55.3 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115 | G6 | G6-G8 PolarHBondContact O-N 2.8Š| ||
| 9 | G | 58.7 | Low | 55.5 | Low | 49 Ų | 49 | 155.3 Ų | 155.3 | 51% | 0.505 | 79% | 0.785 | S | S | . | * | trans | -92 | 155.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N11 R12 | G9-N11 PolarHBondContact O-N 2.7Å; G9-R12 WeakPolarHBondContact O-CB 2.66Å; G9-R12 PolarHBondContact O-N 3.26Å | ||
| 10 | K | 58.3 | Low | 55.5 | Low | 218 Ų | 218 | 153.4 Ų | 153.4 | 95% | 0.948 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -3.7 | 173.7 | -67.5 | 176.1 | 179.4 | 174.1 | 0 | 114.4 | ||
| 11 | N | 51.8 | Low | 55.6 | Low | 156 Ų | 156 | 151.4 Ų | 151.4 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 13.9 | 173.8 | -63.7 | -10 | 0 | 0 | 0 | 113 | G9 R13 | G9-N11 PolarHBondContact O-N 2.7Å; N11-R13 PolarHBondContact O-N 3.29Å |
| 12 | R | 56 | Low | 56.1 | Low | 165 Ų | 165 | 147 Ų | 147 | 62% | 0.623 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -62 | 110.9 | 172.4 | -145.6 | 174.9 | -172.8 | -175.2 | -0.8 | 107.1 | K7 G9 R14 | K7-R12 PolarHBondContact O-NE 2.96Å; K7-R12 PolarHBondContact O-NH1 3.33Å; G9-R12 WeakPolarHBondContact O-CB 2.66Å; G9-R12 PolarHBondContact O-N 3.26Å; R12-R14 PolarHBondContact O-N 2.87Å; R12-R14 VanDerWaalsContact O-N 3.15Å |
| 13 | R | 62.5 | Low | 56.9 | Low | 242 Ų | 242 | 151 Ų | 151 | 91% | 0.913 | 75% | 0.754 | S | S | * | * | trans | -36.3 | 116.3 | -175.6 | -72.6 | 174.6 | 172.1 | 172.7 | -4 | 109.9 | N11 G15 | N11-R13 PolarHBondContact O-N 3.29Å; R13-G15 PolarHBondContact O-N 2.83Å | ||
| 14 | R | 61.8 | Low | 58.2 | Low | 243 Ų | 243 | 147 Ų | 147 | 92% | 0.917 | 73% | 0.734 | S | S | * | * | trans | -49.6 | 133.6 | 165.3 | -90.9 | 177.3 | 167.3 | 155.4 | -0.4 | 107.2 | R12 K16 | R12-R14 PolarHBondContact O-N 2.87Å; R12-R14 VanDerWaalsContact O-N 3.15Å; R14-K16 PolarHBondContact O-N 2.84Å | ||
| 15 | G | 60 | Low | 60 | Low | 76 Ų | 76 | 147.6 Ų | 147.6 | 78% | 0.784 | 73% | 0.731 | S | S | * | * | trans | -45.1 | 137.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R13 N17 | R13-G15 PolarHBondContact O-N 2.83Å; G15-N17 PolarHBondContact O-N 2.82Å | ||
| 16 | K | 59.5 | Low | 61.7 | Low | 187 Ų | 187 | 139.1 Ų | 139.1 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | trans | -60.2 | 131.5 | 173.8 | -150.6 | 176.6 | -177.1 | -170.4 | 0 | 107.2 | R14 E18 | R14-K16 PolarHBondContact O-N 2.84Å; K16-E18 VanDerWaalsContact C-N 3.26Å; K16-E18 HydrophobicContact CB-CG 4.47Å; K16-E18 PolarHBondContact O-N 2.83Å | ||
| 17 | N | 55.6 | Low | 63.5 | Low | 87 Ų | 87 | 139.6 Ų | 139.6 | 47% | 0.465 | 69% | 0.687 | S | S | . | * | trans | -76.4 | 82.9 | 177.7 | -171.1 | 42.9 | 0 | 0 | 0 | 107.5 | G15 N19 | G15-N17 PolarHBondContact O-N 2.82Å; N17-N19 PolarHBondContact O-N 3.49Å | ||
| 18 | E | 55 | Low | 65.4 | Low | 165 Ų | 165 | 135 Ų | 135 | 77% | 0.771 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -70.5 | -8.1 | -174.3 | -75 | 179.2 | 168.4 | 0 | 0 | 114.1 | K16 | K16-E18 VanDerWaalsContact C-N 3.26Å; K16-E18 HydrophobicContact CB-CG 4.47Å; K16-E18 PolarHBondContact O-N 2.83Å |
| 19 | N | 56.3 | Low | 67.1 | Low | 106 Ų | 106 | 135.6 Ų | 135.6 | 57% | 0.567 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -101.2 | 20 | -167.9 | -147.2 | -4.1 | 0 | 0 | 0 | 114.5 | N17 E22 | N17-N19 PolarHBondContact O-N 3.49Å; N19-E22 PolarHBondContact OD1-OE2 2.94Å |
| 20 | E | 55.9 | Low | 68.9 | Low | 118 Ų | 118 | 139.6 Ų | 139.6 | 55% | 0.551 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -87.1 | -21 | 175.8 | -165.5 | 157.5 | -159.8 | 0 | 0 | 112.1 | ||
| 21 | S | 56.3 | Low | 70.5 | Confident | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -92.9 | -11.5 | -178.4 | -51.7 | 0 | 0 | 0 | 0 | 114.5 | K23 | S21-K23 PolarHBondContact O-N 3.02Š|
| 22 | E | 60.8 | Low | 72.5 | Confident | 139 Ų | 139 | 131.7 Ų | 131.7 | 65% | 0.65 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -76.7 | 123.3 | 172.9 | -71.8 | -170.9 | 168.3 | 0 | 0 | 109.6 | N19 R24 | N19-E22 PolarHBondContact OD1-OE2 2.94Å; E22-R24 PolarHBondContact O-N 3.05Å |
| 23 | K | 67.3 | Low | 74.4 | Confident | 217 Ų | 217 | 125.6 Ų | 125.6 | 94% | 0.943 | 61% | 0.613 | S | S | * | * | trans | -59.2 | 97.3 | 174.6 | -72.5 | -176.3 | 178.7 | -178.3 | 0 | 109.4 | S21 | S21-K23 PolarHBondContact O-N 3.02Š| ||
| 24 | R | 79 | Confident | 76 | Confident | 121 Ų | 121 | 115.5 Ų | 115.5 | 46% | 0.457 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -74.4 | 157.2 | 174.1 | 65 | -172.2 | -174.5 | -172.6 | 1.7 | 111 | E22 K94 E99 | E22-R24 PolarHBondContact O-N 3.05Å; R24-K94 PolarHBondContact NH2-O 2.92Å; R24-E99 IonicContact CZ-OE1 2.82Å; R24-E99 IonicContact CZ-OE2 3.45Å; R24-E99 IonicContact NE-OE1 3.9Å; R24-E99 PolarHBondContact NE-OE1 3.22Å; R24-E99 IonicContact NE-OE2 2.78Å; R24-E99 IonicContact NH2-OE1 2.75Å; R24-E99 PolarHBondContact NH2-OE1 2.9Å; R24-E99 IonicContact NH2-OE2 3.25Å; R24-E99 PolarHBondContact NH2-OE2 3.26Å |
| 25 | E | 85 | Confident | 77.6 | Confident | 177 Ų | 177 | 103.9 Ų | 103.9 | 83% | 0.827 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 138.2 | 173.9 | -66.2 | -179.2 | 170.1 | 0 | 0 | 110.8 | V27 | E25-V27 PolarHBondContact O-N 2.98Š|
| 26 | L | 88.8 | Confident | 79.3 | Confident | 39 Ų | 39 | 100.3 Ų | 100.3 | 20% | 0.204 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 122.3 | 177.7 | -175.4 | 66.4 | 0 | 0 | 0 | 109.5 | F28 Y95 E99 L103 Y106 | L26-F28 HydrophobicContact CD2-CE1 4.14Å; L26-F28 HydrophobicContact CD2-CE2 4.46Å; L26-F28 HydrophobicContact CD2-CZ 3.87Å; L26-F28 HydrophobicContact CG-CZ 4.43Å; L26-Y95 HydrophobicContact CD1-CD1 4.2Å; L26-Y95 HydrophobicContact CD1-CE1 4.15Å; L26-E99 HydrophobicContact CD1-CB 3.7Å; L26-E99 HydrophobicContact CD1-CG 4Å; L26-L103 HydrophobicContact CD1-CD2 4.41Å; L26-L103 HydrophobicContact CD1-CG 4.18Å; L26-L103 HydrophobicContact CD2-CD2 4.03Å; L26-L103 HydrophobicContact CD2-CG 4.22Å; L26-L103 HydrophobicContact CG-CD2 4.36Å; L26-Y106 HydrophobicContact CD2-CD2 3.97Å; L26-Y106 HydrophobicContact CD2-CE2 3.85Å |
| 27 | V | 92.7 | Very high | 81 | Confident | 71 Ų | 71 | 93.4 Ų | 93.4 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 121.6 | 178.2 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | E25 L78 L93 Y95 | E25-V27 PolarHBondContact O-N 2.98Å; V27-L78 HydrophobicContact CG1-CD2 4.43Å; V27-L93 HydrophobicContact CB-CD2 3.9Å; V27-L93 HydrophobicContact CG1-CD2 4.48Å; V27-L93 HydrophobicContact CG2-CD2 4.17Å; V27-Y95 VanDerWaalsContact O-CE1 3.32Å; V27-Y95 WeakPolarHBondContact O-CE1 3.39Å; V27-Y95 PolarHBondContact O-OH 3.25Å |
| 28 | F | 93.9 | Very high | 82.9 | Confident | 85 Ų | 85 | 89.3 Ų | 89.3 | 37% | 0.373 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 161.1 | 174.2 | -65.1 | -84.7 | 0 | 0 | 0 | 111.7 | L26 Y35 L103 Y106 E108 | L26-F28 HydrophobicContact CD2-CE1 4.14Å; L26-F28 HydrophobicContact CD2-CE2 4.46Å; L26-F28 HydrophobicContact CD2-CZ 3.87Å; L26-F28 HydrophobicContact CG-CZ 4.43Å; F28-Y35 WeakPolarHBondContact CA-OH 3.48Å; F28-L103 HydrophobicContact CD1-CD2 4.15Å; F28-L103 HydrophobicContact CE1-CD2 4.2Å; F28-Y106 HydrophobicContact CE1-CD2 4.07Å; F28-Y106 HydrophobicContact CE1-CG 4.23Å; F28-Y106 HydrophobicContact CZ-CD2 4.03Å; F28-Y106 HydrophobicContact CZ-CE2 4.18Å; F28-Y106 HydrophobicContact CZ-CG 4.36Å; F28-E108 HydrophobicContact CD1-CG 4.1Å; F28-E108 HydrophobicContact CE1-CG 4.27Å |
| 29 | K | 94.1 | Very high | 84.8 | Confident | 75 Ų | 75 | 84.8 Ų | 84.8 | 33% | 0.326 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 145.4 | 174.1 | 69.5 | 173.5 | 177.8 | -178.4 | 0 | 110.7 | Q33 E34 Y35 L78 | K29-Q33 HydrophobicContact CB-CB 4.47Å; K29-E34 IonicContact NZ-OE1 2.8Å; K29-E34 PolarHBondContact NZ-OE1 2.71Å; K29-E34 IonicContact NZ-OE2 3.76Å; K29-E34 PolarHBondContact NZ-OE2 2.69Å; K29-Y35 HydrophobicContact CB-CD2 4.41Å; K29-Y35 HydrophobicContact CB-CE1 4.18Å; K29-Y35 HydrophobicContact CB-CE2 3.83Å; K29-Y35 HydrophobicContact CD-CD2 3.67Å; K29-Y35 HydrophobicContact CD-CE2 3.46Å; K29-Y35 VanDerWaalsContact CD-CE2 3.46Å; K29-Y35 HydrophobicContact CG-CD2 4.19Å; K29-Y35 HydrophobicContact CG-CE2 3.49Å; K29-Y35 VanDerWaalsContact CG-CE2 3.49Å; K29-Y35 PolarHBondContact N-OH 2.76Å; K29-L78 HydrophobicContact CB-CD1 3.79Å |
| 30 | E | 95.4 | Very high | 86.7 | Confident | 133 Ų | 133 | 84.5 Ų | 84.5 | 62% | 0.621 | 42% | 0.418 | S | S | * | . | trans | -111.6 | 177.5 | 173.7 | -62.1 | 176.9 | 158.7 | 0 | 0 | 110.5 | G32 Q33 | E30-G32 PolarHBondContact O-N 2.98Å; E30-Q33 WeakPolarHBondContact O-CB 3.41Å; E30-Q33 PolarHBondContact O-N 3.24Å; E30-Q33 PolarHBondContact OE2-NE2 3.21Å | ||
| 31 | D | 92.8 | Very high | 88.6 | Confident | 170 Ų | 170 | 83 Ų | 83 | 91% | 0.909 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 138.1 | 174 | -171 | 40.7 | 0 | 0 | 0 | 111.6 | Q33 | D31-Q33 PolarHBondContact O-N 3.1Š|
| 32 | G | 93.4 | Very high | 90.4 | Very high | 39 Ų | 39 | 81.4 Ų | 81.4 | 40% | 0.402 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 11.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E30 L81 | E30-G32 PolarHBondContact O-N 2.98Å; G32-L81 WeakPolarHBondContact O-CB 3.48Å; G32-L81 PolarHBondContact O-N 2.88Å |
| 33 | Q | 96.2 | Very high | 92 | Very high | 36 Ų | 36 | 76.8 Ų | 76.8 | 17% | 0.168 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 154 | 173.6 | -53.8 | 176 | 13.3 | 0 | 0 | 110.6 | K29 E30 D31 L78 V79 I92 | K29-Q33 HydrophobicContact CB-CB 4.47Å; E30-Q33 WeakPolarHBondContact O-CB 3.41Å; E30-Q33 PolarHBondContact O-N 3.24Å; E30-Q33 PolarHBondContact OE2-NE2 3.21Å; D31-Q33 PolarHBondContact O-N 3.1Å; Q33-L78 HydrophobicContact CB-CD1 4.17Å; Q33-V79 CarbonylContact C-O 3.56Å; Q33-V79 WeakPolarHBondContact CA-O 3.42Å; Q33-V79 WeakPolarHBondContact CB-O 3.34Å; Q33-I92 HydrophobicContact CG-CD1 3.75Å |
| 34 | E | 95.6 | Very high | 93.2 | Very high | 30 Ų | 30 | 72.8 Ų | 72.8 | 14% | 0.14 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 153.2 | 177 | -165.5 | 48.1 | -97.4 | 0 | 0 | 110.8 | K29 C51 D53 V79 L81 | K29-E34 IonicContact NZ-OE1 2.8Å; K29-E34 PolarHBondContact NZ-OE1 2.71Å; K29-E34 IonicContact NZ-OE2 3.76Å; K29-E34 PolarHBondContact NZ-OE2 2.69Å; E34-C51 HydrophobicContact CG-CB 4.41Å; E34-D53 HydrophobicContact CG-CB 4.43Å; E34-V79 HydrophobicContact CB-CG2 4.27Å; E34-V79 PolarHBondContact N-O 3.44Å; E34-V79 WeakPolarHBondContact O-CG2 3.15Å; E34-V79 PolarHBondContact O-N 3.1Å; E34-L81 HydrophobicContact CB-CD1 4.42Å; E34-L81 HydrophobicContact CB-CD2 4.29Å |
| 35 | Y | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 145.6 | 170.8 | -61.3 | -65.9 | 0 | 0 | 0 | 109.7 | F28 K29 C51 F52 L78 Y95 L103 E108 L109 | F28-Y35 WeakPolarHBondContact CA-OH 3.48Å; K29-Y35 HydrophobicContact CB-CD2 4.41Å; K29-Y35 HydrophobicContact CB-CE1 4.18Å; K29-Y35 HydrophobicContact CB-CE2 3.83Å; K29-Y35 HydrophobicContact CD-CD2 3.67Å; K29-Y35 HydrophobicContact CD-CE2 3.46Å; K29-Y35 VanDerWaalsContact CD-CE2 3.46Å; K29-Y35 HydrophobicContact CG-CD2 4.19Å; K29-Y35 HydrophobicContact CG-CE2 3.49Å; K29-Y35 VanDerWaalsContact CG-CE2 3.49Å; K29-Y35 PolarHBondContact N-OH 2.76Å; Y35-C51 WeakPolarHBondContact O-CA 3.38Å; Y35-F52 VanDerWaalsContact CB-CD2 3.49Å; Y35-F52 WeakPolarHBondContact O-CD2 3.25Å; Y35-F52 PolarHBondContact O-N 2.94Å; Y35-L78 HydrophobicContact CD1-CD1 4.1Å; Y35-L78 HydrophobicContact CE1-CD1 4.12Å; Y35-Y95 AromaticContact CD1-CE2 3.87Å; Y35-Y95 HydrophobicContact CD1-CE2 3.87Å; Y35-Y95 AromaticContact CE1-CE2 3.89Å; Y35-Y95 HydrophobicContact CE1-CE2 3.89Å; Y35-Y95 AromaticContact CE1-CZ 3.85Å; Y35-Y95 WeakPolarHBondContact CE1-OH 3.21Å; Y35-L103 HydrophobicContact CD1-CD1 4.44Å; Y35-L103 HydrophobicContact CE1-CD1 4Å; Y35-L103 HydrophobicContact CE1-CD2 4.09Å; Y35-L103 WeakPolarHBondContact OH-CD2 3.1Å; Y35-E108 HydrophobicContact CD2-CB 4.48Å; Y35-E108 HydrophobicContact CE2-CB 3.76Å; Y35-E108 HydrophobicContact CE2-CG 4.27Å; Y35-L109 HydrophobicContact CD2-CD2 4.32Å; Y35-L109 HydrophobicContact CG-CD2 4.07Å |
| 36 | A | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 154.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A49 M50 C51 I77 V79 | A36-A49 HydrophobicContact CB-CB 3.87Å; A36-M50 CarbonylContact C-O 3.54Å; A36-M50 VanDerWaalsContact CA-O 3.26Å; A36-M50 WeakPolarHBondContact CA-O 3.32Å; A36-M50 WeakPolarHBondContact CB-O 3.32Å; A36-C51 HydrophobicContact CB-CB 4.36Å; A36-I77 HydrophobicContact CB-CD1 4.43Å; A36-I77 HydrophobicContact CB-CG1 4.05Å; A36-I77 PolarHBondContact N-O 3.07Å; A36-I77 WeakPolarHBondContact O-CG1 3.4Å; A36-I77 PolarHBondContact O-N 2.82Å; A36-V79 HydrophobicContact CB-CG1 3.99Å; A36-V79 HydrophobicContact CB-CG2 4.1Å |
| 37 | Q | 95.1 | Very high | 94.8 | Very high | 43 Ų | 43 | 63.1 Ų | 63.1 | 20% | 0.201 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.8 | 169.1 | 177.8 | 165.2 | 60.9 | 0 | 0 | 110.2 | I39 A49 M50 F52 S74 D75 I76 K114 | Q37-I39 PolarHBondContact O-N 2.76Å; Q37-A49 CarbonylContact O-C 3.54Å; Q37-A49 VanDerWaalsContact O-CA 3.25Å; Q37-A49 WeakPolarHBondContact O-CA 3.46Å; Q37-A49 WeakPolarHBondContact O-CB 3.47Å; Q37-M50 PolarHBondContact N-O 2.75Å; Q37-M50 PolarHBondContact O-N 2.89Å; Q37-F52 HydrophobicContact CB-CZ 4.36Å; Q37-S74 PolarHBondContact NE2-O 3.29Å; Q37-S74 VanDerWaalsContact NE2-O 3.13Å; Q37-D75 WeakPolarHBondContact CA-O 3.22Å; Q37-I76 HydrophobicContact CB-CD1 4.02Å; Q37-I76 HydrophobicContact CG-CD1 4.19Å; Q37-K114 PolarHBondContact NE2-O 2.8Å |
| 38 | V | 95.7 | Very high | 95 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 124.7 | 176.7 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | M41 L47 I71 N72 S74 D75 I77 | V38-M41 HydrophobicContact CG1-SD 4.23Å; V38-L47 HydrophobicContact CG1-CB 4.38Å; V38-L47 HydrophobicContact CG1-CD1 4.23Å; V38-L47 HydrophobicContact CG1-CD2 4.39Å; V38-L47 HydrophobicContact CG2-CD1 4.14Å; V38-L47 HydrophobicContact CG2-CD2 4.15Å; V38-I71 HydrophobicContact CG2-CG2 3.8Å; V38-N72 WeakPolarHBondContact CB-O 3.26Å; V38-N72 WeakPolarHBondContact CG1-O 3.46Å; V38-S74 WeakPolarHBondContact O-CA 3.35Å; V38-S74 PolarHBondContact O-N 3.25Å; V38-D75 HydrophobicContact CG2-CB 4.39Å; V38-D75 PolarHBondContact N-O 3.13Å; V38-I77 HydrophobicContact CG2-CD1 3.86Å; V38-I77 HydrophobicContact CG2-CG1 4.16Å; V38-I77 HydrophobicContact CG2-CG2 4.02Å |
| 39 | I | 95.2 | Very high | 95.1 | Very high | 69 Ų | 69 | 57.5 Ų | 57.5 | 35% | 0.354 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -55.4 | 173.6 | -62.5 | 164.5 | 0 | 0 | 0 | 109.4 | Q37 E48 M50 K56 | Q37-I39 PolarHBondContact O-N 2.76Å; I39-E48 HydrophobicContact CD1-CG 4.26Å; I39-E48 PolarHBondContact N-O 2.97Å; I39-M50 HydrophobicContact CD1-CB 3.89Å; I39-M50 HydrophobicContact CG1-CB 4.07Å; I39-K56 HydrophobicContact CD1-CD 4.1Å; I39-K56 HydrophobicContact CD1-CG 4.16Å |
| 40 | K | 95.3 | Very high | 95.2 | Very high | 101 Ų | 101 | 57.1 Ų | 57.1 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 152.9 | -176.9 | 60.3 | 174.9 | 172.5 | 179.7 | 0 | 112.1 | L42 L47 E48 | K40-L42 HydrophobicContact CD-CD2 4.17Å; K40-L42 HydrophobicContact CG-CD2 4.3Å; K40-L47 WeakPolarHBondContact O-CA 3.49Å; K40-E48 WeakPolarHBondContact CE-OE2 3.32Å; K40-E48 HydrophobicContact CG-CB 3.95Å; K40-E48 PolarHBondContact N-O 3.35Å; K40-E48 IonicContact NZ-OE2 3.08Å; K40-E48 PolarHBondContact NZ-OE2 3.48Å; K40-E48 VanDerWaalsContact NZ-OE2 3.08Å; K40-E48 PolarHBondContact O-N 3.2Å |
| 41 | M | 95.6 | Very high | 95.2 | Very high | 85 Ų | 85 | 50.8 Ų | 50.8 | 42% | 0.419 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 134.3 | 172.2 | -60.5 | -60.8 | -80.3 | 0 | 0 | 109.8 | V38 L47 I61 I71 | V38-M41 HydrophobicContact CG1-SD 4.23Å; M41-L47 HydrophobicContact SD-CB 3.7Å; M41-L47 HydrophobicContact SD-CD2 4.05Å; M41-I61 HydrophobicContact CE-CD1 3.99Å; M41-I71 WeakPolarHBondContact CE-O 2.99Å |
| 42 | L | 94.8 | Very high | 95.2 | Very high | 79 Ų | 79 | 45.3 Ų | 45.3 | 41% | 0.414 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -7.9 | 179.6 | -61 | 176.3 | 0 | 0 | 0 | 112.7 | K40 R46 E48 L58 | K40-L42 HydrophobicContact CD-CD2 4.17Å; K40-L42 HydrophobicContact CG-CD2 4.3Å; L42-R46 HydrophobicContact CB-CB 4.23Å; L42-R46 PolarHBondContact N-O 2.96Å; L42-E48 HydrophobicContact CD1-CB 4.34Å; L42-L58 HydrophobicContact CD1-CD2 3.31Å |
| 43 | G | 93.8 | Very high | 95.1 | Very high | 41 Ų | 41 | 46.8 Ų | 46.8 | 42% | 0.423 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 82 | 177 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113 | G45 R46 | G43-G45 PolarHBondContact O-N 3.36Å; G43-G45 VanDerWaalsContact O-N 3.09Å; G43-R46 PolarHBondContact N-O 3.04Å; G43-R46 WeakPolarHBondContact O-CB 3.24Å; G43-R46 PolarHBondContact O-N 3.38Å |
| 44 | N | 93.3 | Very high | 94.8 | Very high | 133 Ų | 133 | 47.4 Ų | 47.4 | 71% | 0.711 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 40.4 | -176.7 | -166.4 | 20.9 | 0 | 0 | 0 | 113.9 | R46 | N44-R46 VanDerWaalsContact C-N 3.29Å; N44-R46 PolarHBondContact ND2-NH1 3.09Å; N44-R46 PolarHBondContact O-N 2.98Å; N44-R46 PolarHBondContact O-NH1 2.86Å |
| 45 | G | 92.4 | Very high | 94.8 | Very high | 15 Ų | 15 | 47.9 Ų | 47.9 | 16% | 0.155 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 22 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | G43 I61 | G43-G45 PolarHBondContact O-N 3.36Å; G43-G45 VanDerWaalsContact O-N 3.09Å; G45-I61 WeakPolarHBondContact O-CB 3.46Å; G45-I61 WeakPolarHBondContact O-CG1 3.25Å; G45-I61 PolarHBondContact O-N 3.41Å |
| 46 | R | 95.9 | Very high | 94.8 | Very high | 119 Ų | 119 | 53.6 Ų | 53.6 | 45% | 0.449 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 150.3 | 176.5 | -65.2 | 177.1 | -179.7 | 78.6 | -4.5 | 111.2 | L42 G43 N44 C59 | L42-R46 HydrophobicContact CB-CB 4.23Å; L42-R46 PolarHBondContact N-O 2.96Å; G43-R46 PolarHBondContact N-O 3.04Å; G43-R46 WeakPolarHBondContact O-CB 3.24Å; G43-R46 PolarHBondContact O-N 3.38Å; N44-R46 VanDerWaalsContact C-N 3.29Å; N44-R46 PolarHBondContact ND2-NH1 3.09Å; N44-R46 PolarHBondContact O-N 2.98Å; N44-R46 PolarHBondContact O-NH1 2.86Å; R46-C59 WeakPolarHBondContact CA-O 3.37Å |
| 47 | L | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 160.5 | 175.2 | 63.1 | 84.4 | 0 | 0 | 0 | 110.4 | V38 K40 M41 A49 C59 I61 I71 I77 V91 | V38-L47 HydrophobicContact CG1-CB 4.38Å; V38-L47 HydrophobicContact CG1-CD1 4.23Å; V38-L47 HydrophobicContact CG1-CD2 4.39Å; V38-L47 HydrophobicContact CG2-CD1 4.14Å; V38-L47 HydrophobicContact CG2-CD2 4.15Å; K40-L47 WeakPolarHBondContact O-CA 3.49Å; M41-L47 HydrophobicContact SD-CB 3.7Å; M41-L47 HydrophobicContact SD-CD2 4.05Å; L47-A49 HydrophobicContact CD1-CB 3.74Å; L47-C59 HydrophobicContact CD1-CB 3.55Å; L47-C59 HydrophobicContact CG-CB 4.01Å; L47-C59 PolarHBondContact N-O 2.9Å; L47-C59 PolarHBondContact O-N 3.4Å; L47-I61 HydrophobicContact CD2-CD1 4.12Å; L47-I61 HydrophobicContact CD2-CG1 3.97Å; L47-I71 HydrophobicContact CD2-CG2 3.87Å; L47-I77 HydrophobicContact CD1-CD1 4.08Å; L47-V91 HydrophobicContact CD2-CG2 4.21Å |
| 48 | E | 97.3 | Very high | 94.9 | Very high | 38 Ų | 38 | 56 Ų | 56 | 18% | 0.178 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.7 | 169.4 | -171.3 | 176.5 | 150.7 | 0 | 0 | 108.3 | I39 K40 L42 | I39-E48 HydrophobicContact CD1-CG 4.26Å; I39-E48 PolarHBondContact N-O 2.97Å; K40-E48 WeakPolarHBondContact CE-OE2 3.32Å; K40-E48 HydrophobicContact CG-CB 3.95Å; K40-E48 PolarHBondContact N-O 3.35Å; K40-E48 IonicContact NZ-OE2 3.08Å; K40-E48 PolarHBondContact NZ-OE2 3.48Å; K40-E48 VanDerWaalsContact NZ-OE2 3.08Å; K40-E48 PolarHBondContact O-N 3.2Å; L42-E48 HydrophobicContact CD1-CB 4.34Å |
| 49 | A | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 141.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A36 Q37 L47 K56 R57 I77 | A36-A49 HydrophobicContact CB-CB 3.87Å; Q37-A49 CarbonylContact O-C 3.54Å; Q37-A49 VanDerWaalsContact O-CA 3.25Å; Q37-A49 WeakPolarHBondContact O-CA 3.46Å; Q37-A49 WeakPolarHBondContact O-CB 3.47Å; L47-A49 HydrophobicContact CD1-CB 3.74Å; A49-K56 WeakPolarHBondContact O-CA 3.44Å; A49-R57 PolarHBondContact N-O 2.85Å; A49-R57 PolarHBondContact O-N 3.47Å; A49-I77 HydrophobicContact CB-CD1 4.15Å |
| 50 | M | 95.9 | Very high | 95 | Very high | 67 Ų | 67 | 56.1 Ų | 56.1 | 33% | 0.33 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 110.5 | 168.3 | -169.4 | 71.3 | -172.5 | 0 | 0 | 107.9 | A36 Q37 I39 G54 K56 | A36-M50 CarbonylContact C-O 3.54Å; A36-M50 VanDerWaalsContact CA-O 3.26Å; A36-M50 WeakPolarHBondContact CA-O 3.32Å; A36-M50 WeakPolarHBondContact CB-O 3.32Å; Q37-M50 PolarHBondContact N-O 2.75Å; Q37-M50 PolarHBondContact O-N 2.89Å; I39-M50 HydrophobicContact CD1-CB 3.89Å; I39-M50 HydrophobicContact CG1-CB 4.07Å; M50-G54 WeakPolarHBondContact CE-O 3.42Å; M50-K56 HydrophobicContact SD-CD 4.27Å; M50-K56 HydrophobicContact SD-CG 3.41Å; M50-K56 WeakPolarHBondContact SD-CG 3.39Å |
| 51 | C | 94.7 | Very high | 95 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 148.7 | 173.9 | -59.7 | 0 | 0 | 0 | 0 | 109.5 | E34 Y35 A36 D53 G54 V55 R57 | E34-C51 HydrophobicContact CG-CB 4.41Å; Y35-C51 WeakPolarHBondContact O-CA 3.38Å; A36-C51 HydrophobicContact CB-CB 4.36Å; C51-D53 WeakPolarHBondContact CB-OD1 3.08Å; C51-D53 PolarHBondContact O-N 2.84Å; C51-G54 PolarHBondContact O-N 2.86Å; C51-V55 WeakPolarHBondContact CB-O 3.33Å; C51-V55 PolarHBondContact N-O 2.78Å; C51-R57 VanDerWaalsContact CB-NH1 3.3Å; C51-R57 PolarHBondContact SG-NH1 2.97Å |
| 52 | F | 92.7 | Very high | 95 | Very high | 54 Ų | 54 | 53.5 Ų | 53.5 | 24% | 0.237 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -2.3 | -178.2 | -73.3 | -74.3 | 0 | 0 | 0 | 113.8 | Y35 Q37 I76 L109 P110 A113 | Y35-F52 VanDerWaalsContact CB-CD2 3.49Å; Y35-F52 WeakPolarHBondContact O-CD2 3.25Å; Y35-F52 PolarHBondContact O-N 2.94Å; Q37-F52 HydrophobicContact CB-CZ 4.36Å; F52-I76 HydrophobicContact CE2-CD1 4.44Å; F52-I76 HydrophobicContact CZ-CD1 4.23Å; F52-L109 HydrophobicContact CD2-CD2 3.71Å; F52-L109 HydrophobicContact CE2-CD2 3.42Å; F52-L109 VanDerWaalsContact CE2-CD2 3.42Å; F52-L109 HydrophobicContact CG-CD2 4.37Å; F52-L109 HydrophobicContact CZ-CD2 3.85Å; F52-P110 VanDerWaalsContact CD1-CD 3.4Å; F52-P110 HydrophobicContact CD1-CG 3.67Å; F52-P110 HydrophobicContact CE1-CG 4.17Å; F52-A113 HydrophobicContact CE1-CB 3.98Å; F52-A113 HydrophobicContact CZ-CB 4.06Å |
| 53 | D | 91.2 | Very high | 94.8 | Very high | 70 Ų | 70 | 52.1 Ų | 52.1 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -4.9 | 163 | 62.3 | 6 | 0 | 0 | 0 | 113.4 | E34 C51 V55 R57 | E34-D53 HydrophobicContact CG-CB 4.43Å; C51-D53 WeakPolarHBondContact CB-OD1 3.08Å; C51-D53 PolarHBondContact O-N 2.84Å; D53-V55 PolarHBondContact OD1-N 3.3Å; D53-R57 IonicContact OD1-NH1 3.49Å; D53-R57 IonicContact OD2-CZ 3.95Å; D53-R57 IonicContact OD2-NH1 2.7Å; D53-R57 PolarHBondContact OD2-NH1 2.86Å; D53-R57 IonicContact OD2-NH2 3.39Å; D53-R57 PolarHBondContact OD2-NH2 2.94Å |
| 54 | G | 91 | Very high | 94.6 | Very high | 49 Ų | 49 | 56.8 Ų | 56.8 | 51% | 0.505 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 96.3 | -2.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | M50 C51 | M50-G54 WeakPolarHBondContact CE-O 3.42Å; C51-G54 PolarHBondContact O-N 2.86Å |
| 55 | V | 94.2 | Very high | 94.5 | Very high | 41 Ų | 41 | 51 Ų | 51 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | trans | -97.3 | 134.1 | -176 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | C51 D53 R57 | C51-V55 WeakPolarHBondContact CB-O 3.33Å; C51-V55 PolarHBondContact N-O 2.78Å; D53-V55 PolarHBondContact OD1-N 3.3Å; V55-R57 HydrophobicContact CG1-CG 4.02Å | ||
| 56 | K | 96.4 | Very high | 94.2 | Very high | 119 Ų | 119 | 58.4 Ų | 58.4 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 121.1 | 169 | -68.3 | -177.3 | -178.4 | -179.2 | 0 | 109.4 | I39 A49 M50 | I39-K56 HydrophobicContact CD1-CD 4.1Å; I39-K56 HydrophobicContact CD1-CG 4.16Å; A49-K56 WeakPolarHBondContact O-CA 3.44Å; M50-K56 HydrophobicContact SD-CD 4.27Å; M50-K56 HydrophobicContact SD-CG 3.41Å; M50-K56 WeakPolarHBondContact SD-CG 3.39Å |
| 57 | R | 96.6 | Very high | 93.7 | Very high | 7 Ų | 7 | 61.6 Ų | 61.6 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 147.2 | -179.7 | -62.6 | -171.7 | 176.8 | 107.1 | -2.4 | 111.5 | A49 C51 D53 V55 C59 D86 A89 | A49-R57 PolarHBondContact N-O 2.85Å; A49-R57 PolarHBondContact O-N 3.47Å; C51-R57 VanDerWaalsContact CB-NH1 3.3Å; C51-R57 PolarHBondContact SG-NH1 2.97Å; D53-R57 IonicContact OD1-NH1 3.49Å; D53-R57 IonicContact OD2-CZ 3.95Å; D53-R57 IonicContact OD2-NH1 2.7Å; D53-R57 PolarHBondContact OD2-NH1 2.86Å; D53-R57 IonicContact OD2-NH2 3.39Å; D53-R57 PolarHBondContact OD2-NH2 2.94Å; V55-R57 HydrophobicContact CG1-CG 4.02Å; R57-C59 PolarHBondContact O-N 3.03Å; R57-D86 WeakPolarHBondContact CD-O 3.44Å; R57-D86 WeakPolarHBondContact CG-O 3.22Å; R57-D86 IonicContact CZ-OD1 3.51Å; R57-D86 PolarHBondContact NE-O 3.47Å; R57-D86 IonicContact NE-OD1 3.35Å; R57-D86 PolarHBondContact NE-OD1 2.84Å; R57-D86 IonicContact NH2-OD1 3.61Å; R57-D86 PolarHBondContact NH2-OD1 3.31Å; R57-D86 IonicContact NH2-OD2 2.94Å; R57-A89 HydrophobicContact CB-CB 4.41Å |
| 58 | L | 96.8 | Very high | 93.2 | Very high | 86 Ų | 86 | 67.2 Ų | 67.2 | 45% | 0.45 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 109.9 | 167.6 | -71.3 | 169.8 | 0 | 0 | 0 | 108.6 | L42 Q87 K88 A89 | L42-L58 HydrophobicContact CD1-CD2 3.31Å; L58-Q87 PolarHBondContact N-O 2.83Å; L58-K88 HydrophobicContact CB-CG 4.47Å; L58-K88 WeakPolarHBondContact O-CA 3.24Å; L58-A89 PolarHBondContact O-N 2.8Å; L58-A89 VanDerWaalsContact O-N 3.1Å |
| 59 | C | 97.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 138 | -176.9 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | R46 L47 R57 A89 V91 | R46-C59 WeakPolarHBondContact CA-O 3.37Å; L47-C59 HydrophobicContact CD1-CB 3.55Å; L47-C59 HydrophobicContact CG-CB 4.01Å; L47-C59 PolarHBondContact N-O 2.9Å; L47-C59 PolarHBondContact O-N 3.4Å; R57-C59 PolarHBondContact O-N 3.03Å; C59-A89 CarbonylContact C-O 3.51Å; C59-A89 VanDerWaalsContact CA-O 3.24Å; C59-A89 WeakPolarHBondContact CA-O 3.48Å; C59-V91 HydrophobicContact CB-CG2 3.83Å |
| 60 | H | 96.3 | Very high | 92.5 | Very high | 72 Ų | 72 | 77.5 Ų | 77.5 | 33% | 0.333 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.1 | 172.6 | 178.3 | -99 | 0 | 0 | 0 | 110.6 | R62 A89 D90 V91 | H60-R62 PolarHBondContact O-N 3.48Å; H60-A89 PolarHBondContact N-O 3.34Å; H60-D90 IonicContact CG-OD1 2.69Å; H60-D90 IonicContact ND1-OD1 3.21Å; H60-D90 CarbonylContact O-C 3.51Å; H60-D90 WeakPolarHBondContact O-CA 3.4Å; H60-V91 PolarHBondContact O-N 3.49Å |
| 61 | I | 96.1 | Very high | 92.3 | Very high | 16 Ų | 16 | 74.8 Ų | 74.8 | 8% | 0.082 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 116.7 | -177.5 | -57.6 | 171.9 | 0 | 0 | 0 | 108.6 | M41 G45 L47 G63 L65 R66 I71 V91 | M41-I61 HydrophobicContact CE-CD1 3.99Å; G45-I61 WeakPolarHBondContact O-CB 3.46Å; G45-I61 WeakPolarHBondContact O-CG1 3.25Å; G45-I61 PolarHBondContact O-N 3.41Å; L47-I61 HydrophobicContact CD2-CD1 4.12Å; L47-I61 HydrophobicContact CD2-CG1 3.97Å; I61-G63 PolarHBondContact O-N 2.91Å; I61-L65 HydrophobicContact CG2-CB 3.96Å; I61-R66 HydrophobicContact CG2-CB 4.35Å; I61-I71 HydrophobicContact CD1-CD1 4.33Å; I61-I71 HydrophobicContact CG1-CD1 4.28Å; I61-I71 HydrophobicContact CG2-CD1 4.14Å; I61-V91 HydrophobicContact CG1-CG2 4.36Å |
| 62 | R | 93.7 | Very high | 92.2 | Very high | 116 Ų | 116 | 79.1 Ų | 79.1 | 44% | 0.438 | 38% | 0.379 | S | S | . | . | trans | -56.9 | 137.5 | 178.2 | -173 | 169.2 | 77.9 | 163.3 | -2.4 | 110.3 | H60 K64 L65 R66 V91 | H60-R62 PolarHBondContact O-N 3.48Å; R62-K64 PolarHBondContact O-N 2.75Å; R62-L65 HydrophobicContact CB-CD1 3.9Å; R62-L65 WeakPolarHBondContact O-CB 3.49Å; R62-L65 PolarHBondContact O-N 3.3Å; R62-R66 PolarHBondContact O-N 3.37Å; R62-V91 WeakPolarHBondContact CB-O 3.5Å | ||
| 63 | G | 91.8 | Very high | 92.2 | Very high | 49 Ų | 49 | 79.5 Ų | 79.5 | 51% | 0.505 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.3 | -28.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | I61 | I61-G63 PolarHBondContact O-N 2.91Å |
| 64 | K | 90.1 | Very high | 92.3 | Very high | 140 Ų | 140 | 78.5 Ų | 78.5 | 61% | 0.609 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.1 | -41 | 173.6 | -172.6 | 179 | 179.5 | -177.3 | 0 | 112.2 | R62 | R62-K64 PolarHBondContact O-N 2.75Å |
| 65 | L | 89.5 | Confident | 92.4 | Very high | 10 Ų | 10 | 77.2 Ų | 77.2 | 5% | 0.052 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -74.5 | -40 | 178.2 | -75.5 | 122.7 | 0 | 0 | 0 | 111.7 | I61 R62 K67 K68 V69 V91 I92 | I61-L65 HydrophobicContact CG2-CB 3.96Å; R62-L65 HydrophobicContact CB-CD1 3.9Å; R62-L65 WeakPolarHBondContact O-CB 3.49Å; R62-L65 PolarHBondContact O-N 3.3Å; L65-K67 PolarHBondContact O-N 2.85Å; L65-K68 PolarHBondContact O-N 2.97Å; L65-V69 HydrophobicContact CD2-CB 4.07Å; L65-V69 HydrophobicContact CD2-CG1 4.37Å; L65-V69 HydrophobicContact CD2-CG2 4.19Å; L65-V69 PolarHBondContact O-N 3.37Å; L65-V91 HydrophobicContact CD1-CG1 4.45Å; L65-V91 VanDerWaalsContact CD1-O 3.27Å; L65-V91 WeakPolarHBondContact CD1-O 3.43Å; L65-I92 VanDerWaalsContact CD1-O 3.29Å; L65-I92 WeakPolarHBondContact CD1-O 3.32Å |
| 66 | R | 87.7 | Confident | 92.4 | Very high | 171 Ų | 171 | 75.5 Ų | 75.5 | 65% | 0.645 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -53.5 | -25.6 | -175.5 | -171.7 | 175 | 180 | -85.6 | 0.3 | 114.5 | I61 R62 | I61-R66 HydrophobicContact CG2-CB 4.35Å; R62-R66 PolarHBondContact O-N 3.37Å |
| 67 | K | 84.3 | Confident | 92.4 | Very high | 186 Ų | 186 | 69.9 Ų | 69.9 | 81% | 0.809 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -16.4 | 178.7 | -65.4 | -176.3 | -179.3 | 176.3 | 0 | 114.2 | L65 | L65-K67 PolarHBondContact O-N 2.85Š|
| 68 | K | 86 | Confident | 92.4 | Very high | 118 Ų | 118 | 69.6 Ų | 69.6 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | -34.3 | -169 | -69.6 | -164.4 | 172.3 | -153.2 | 0 | 113.4 | L65 | L65-K68 PolarHBondContact O-N 2.97Š|
| 69 | V | 89.4 | Confident | 92.4 | Very high | 38 Ų | 38 | 65.5 Ų | 65.5 | 23% | 0.23 | 31% | 0.31 | C | S | . | . | trans | -131 | 131.3 | -167.9 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | L65 K94 | L65-V69 HydrophobicContact CD2-CB 4.07Å; L65-V69 HydrophobicContact CD2-CG1 4.37Å; L65-V69 HydrophobicContact CD2-CG2 4.19Å; L65-V69 PolarHBondContact O-N 3.37Å; V69-K94 HydrophobicContact CG1-CB 3.79Å; V69-K94 HydrophobicContact CG1-CD 3.47Å; V69-K94 VanDerWaalsContact CG1-CD 3.47Å; V69-K94 HydrophobicContact CG1-CG 4.25Å | ||
| 70 | W | 90.7 | Very high | 92.4 | Very high | 216 Ų | 216 | 66 Ų | 66 | 82% | 0.818 | 32% | 0.316 | S | S | * | . | trans | -92.5 | 129.5 | 173.7 | -64.6 | 73.7 | 0 | 0 | 0 | 109.2 | K94 | W70-K94 WeakPolarHBondContact O-CD 3.27Å; W70-K94 PolarHBondContact O-NZ 3.39Å | ||
| 71 | I | 92.5 | Very high | 92.3 | Very high | 10 Ų | 10 | 65.3 Ų | 65.3 | 5% | 0.051 | 31% | 0.314 | C | S | . | . | trans | -115.8 | 125.7 | -179 | -57.3 | 173.7 | 0 | 0 | 0 | 107.6 | V38 M41 L47 I61 I77 V91 K94 | V38-I71 HydrophobicContact CG2-CG2 3.8Å; M41-I71 WeakPolarHBondContact CE-O 2.99Å; L47-I71 HydrophobicContact CD2-CG2 3.87Å; I61-I71 HydrophobicContact CD1-CD1 4.33Å; I61-I71 HydrophobicContact CG1-CD1 4.28Å; I61-I71 HydrophobicContact CG2-CD1 4.14Å; I71-I77 HydrophobicContact CG2-CG2 4.29Å; I71-V91 HydrophobicContact CD1-CG1 4Å; I71-K94 HydrophobicContact CG1-CB 4.5Å; I71-K94 HydrophobicContact CG1-CD 4.48Å | ||
| 72 | N | 92.2 | Very high | 92.3 | Very high | 93 Ų | 93 | 67.2 Ų | 67.2 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | trans | -113.8 | 172.1 | 178.9 | -67.9 | -37.2 | 0 | 0 | 0 | 111.1 | V38 D75 | V38-N72 WeakPolarHBondContact CB-O 3.26Å; V38-N72 WeakPolarHBondContact CG1-O 3.46Å; N72-D75 PolarHBondContact N-OD2 3.09Å; N72-D75 WeakPolarHBondContact O-CB 3.36Å | ||
| 73 | S | 92.5 | Very high | 92.1 | Very high | 61 Ų | 61 | 69.3 Ų | 69.3 | 43% | 0.427 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 146.2 | 169.5 | 49.3 | 0 | 0 | 0 | 0 | 111 | D75 | S73-D75 PolarHBondContact O-N 3.07Š|
| 74 | S | 92.8 | Very high | 92.1 | Very high | 50 Ų | 50 | 74.7 Ų | 74.7 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | -1.2 | -177.9 | -52.8 | 0 | 0 | 0 | 0 | 116.4 | Q37 V38 | Q37-S74 PolarHBondContact NE2-O 3.29Å; Q37-S74 VanDerWaalsContact NE2-O 3.13Å; V38-S74 WeakPolarHBondContact O-CA 3.35Å; V38-S74 PolarHBondContact O-N 3.25Å |
| 75 | D | 94 | Very high | 92.3 | Very high | 22 Ų | 22 | 71.4 Ų | 71.4 | 12% | 0.118 | 33% | 0.333 | C | S | . | . | trans | -64.7 | 147.6 | 171.2 | -73.4 | -8.3 | 0 | 0 | 0 | 111.4 | Q37 V38 N72 S73 K94 | Q37-D75 WeakPolarHBondContact CA-O 3.22Å; V38-D75 HydrophobicContact CG2-CB 4.39Å; V38-D75 PolarHBondContact N-O 3.13Å; N72-D75 PolarHBondContact N-OD2 3.09Å; N72-D75 WeakPolarHBondContact O-CB 3.36Å; S73-D75 PolarHBondContact O-N 3.07Å; D75-K94 VanDerWaalsContact OD2-CE 3.24Å; D75-K94 WeakPolarHBondContact OD2-CE 3.46Å; D75-K94 IonicContact OD2-NZ 2.63Å | ||
| 76 | I | 94.6 | Very high | 92.4 | Very high | 5 Ų | 5 | 74.6 Ų | 74.6 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 129.6 | 172.3 | -53 | -58.1 | 0 | 0 | 0 | 109 | Q37 F52 Y95 A100 L109 | Q37-I76 HydrophobicContact CB-CD1 4.02Å; Q37-I76 HydrophobicContact CG-CD1 4.19Å; F52-I76 HydrophobicContact CE2-CD1 4.44Å; F52-I76 HydrophobicContact CZ-CD1 4.23Å; I76-Y95 HydrophobicContact CG2-CD2 3.99Å; I76-Y95 PolarHBondContact O-N 3.47Å; I76-A100 HydrophobicContact CB-CB 4.23Å; I76-A100 HydrophobicContact CG1-CB 3.95Å; I76-L109 HydrophobicContact CG2-CD1 4.23Å |
| 77 | I | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 155.7 | -175.2 | 58.8 | 166.1 | 0 | 0 | 0 | 111 | A36 V38 L47 A49 I71 V79 V91 L93 K94 | A36-I77 HydrophobicContact CB-CD1 4.43Å; A36-I77 HydrophobicContact CB-CG1 4.05Å; A36-I77 PolarHBondContact N-O 3.07Å; A36-I77 WeakPolarHBondContact O-CG1 3.4Å; A36-I77 PolarHBondContact O-N 2.82Å; V38-I77 HydrophobicContact CG2-CD1 3.86Å; V38-I77 HydrophobicContact CG2-CG1 4.16Å; V38-I77 HydrophobicContact CG2-CG2 4.02Å; L47-I77 HydrophobicContact CD1-CD1 4.08Å; A49-I77 HydrophobicContact CB-CD1 4.15Å; I71-I77 HydrophobicContact CG2-CG2 4.29Å; I77-V79 HydrophobicContact CD1-CG1 3.63Å; I77-V79 HydrophobicContact CG1-CG1 4.07Å; I77-V91 HydrophobicContact CB-CG1 4.25Å; I77-V91 HydrophobicContact CD1-CG1 4.26Å; I77-V91 HydrophobicContact CD1-CG2 4Å; I77-V91 HydrophobicContact CG2-CG1 4.42Å; I77-L93 WeakPolarHBondContact CA-O 3.5Å; I77-K94 HydrophobicContact CG2-CB 4.44Å |
| 78 | L | 96.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 125.4 | 167.6 | -172.4 | 62 | 0 | 0 | 0 | 108.9 | V27 K29 Q33 Y35 I92 L93 Y95 | V27-L78 HydrophobicContact CG1-CD2 4.43Å; K29-L78 HydrophobicContact CB-CD1 3.79Å; Q33-L78 HydrophobicContact CB-CD1 4.17Å; Y35-L78 HydrophobicContact CD1-CD1 4.1Å; Y35-L78 HydrophobicContact CE1-CD1 4.12Å; 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 3.11Å; L78-L93 HydrophobicContact CB-CB 4.01Å; L78-L93 HydrophobicContact CD2-CB 4.39Å; L78-L93 PolarHBondContact N-O 2.86Å; L78-L93 PolarHBondContact O-N 3.05Å; L78-Y95 HydrophobicContact CB-CE2 3.8Å |
| 79 | V | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139.4 | 178.5 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | Q33 E34 A36 I77 L81 A89 D90 | Q33-V79 CarbonylContact C-O 3.56Å; Q33-V79 WeakPolarHBondContact CA-O 3.42Å; Q33-V79 WeakPolarHBondContact CB-O 3.34Å; E34-V79 HydrophobicContact CB-CG2 4.27Å; E34-V79 PolarHBondContact N-O 3.44Å; E34-V79 WeakPolarHBondContact O-CG2 3.15Å; E34-V79 PolarHBondContact O-N 3.1Å; A36-V79 HydrophobicContact CB-CG1 3.99Å; A36-V79 HydrophobicContact CB-CG2 4.1Å; I77-V79 HydrophobicContact CD1-CG1 3.63Å; I77-V79 HydrophobicContact CG1-CG1 4.07Å; V79-L81 HydrophobicContact CG2-CD2 4.39Å; V79-A89 HydrophobicContact CB-CB 4.04Å; V79-A89 HydrophobicContact CG2-CB 4.35Å; V79-D90 CarbonylContact C-O 3.59Å; V79-D90 WeakPolarHBondContact CA-O 3.41Å |
| 80 | G | 96.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 61.5 Ų | 61.5 | 12% | 0.124 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 126.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | A89 D90 | G80-A89 WeakPolarHBondContact O-CA 3.49Å; G80-A89 VanDerWaalsContact O-CB 3.32Å; G80-A89 WeakPolarHBondContact O-CB 3.42Å; G80-D90 PolarHBondContact N-O 3.29Å; G80-D90 PolarHBondContact O-N 3.03Å |
| 81 | L | 95.6 | Very high | 94.4 | Very high | 56 Ų | 56 | 51.2 Ų | 51.2 | 29% | 0.293 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 157.7 | 178.5 | -54.5 | -175.5 | 0 | 0 | 0 | 110.7 | G32 E34 V79 A89 | G32-L81 WeakPolarHBondContact O-CB 3.48Å; G32-L81 PolarHBondContact O-N 2.88Å; E34-L81 HydrophobicContact CB-CD1 4.42Å; E34-L81 HydrophobicContact CB-CD2 4.29Å; V79-L81 HydrophobicContact CG2-CD2 4.39Å; L81-A89 HydrophobicContact CD2-CB 4.45Å |
| 82 | R | 94.3 | Very high | 94.5 | Very high | 56 Ų | 56 | 52.9 Ų | 52.9 | 21% | 0.211 | 27% | 0.269 | C | S | . | . | trans | -111.1 | 122.1 | 172 | -63.5 | 172.8 | -179.2 | -169.1 | 3.5 | 108.2 | Y84 Q85 D90 | R82-Y84 HydrophobicContact CB-CE1 4.22Å; R82-Y84 HydrophobicContact CB-CE2 4.46Å; R82-Y84 PolarHBondContact O-N 2.95Å; R82-Q85 CarbonylContact O-C 3.53Å; R82-Q85 PolarHBondContact O-N 3.4Å; R82-D90 IonicContact CZ-OD2 3.29Å; R82-D90 IonicContact NE-OD2 2.71Å; R82-D90 PolarHBondContact NE-OD2 3.23Å; R82-D90 VanDerWaalsContact NH2-CG 3.29Å; R82-D90 IonicContact NH2-OD1 3.11Å; R82-D90 PolarHBondContact NH2-OD1 2.87Å; R82-D90 VanDerWaalsContact NH2-OD1 3.07Å; R82-D90 IonicContact NH2-OD2 3.57Å; R82-D90 PolarHBondContact NH2-OD2 3.01Å | ||
| 83 | D | 91.1 | Very high | 94.6 | Very high | 161 Ų | 161 | 49.9 Ų | 49.9 | 86% | 0.861 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -38.3 | 174.9 | 57.3 | -31.3 | 0 | 0 | 0 | 113.1 | ||
| 84 | Y | 91.3 | Very high | 94.7 | Very high | 162 Ų | 162 | 48.9 Ų | 48.9 | 64% | 0.635 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -13.1 | -178 | 60 | -95.4 | 0 | 0 | 0 | 115.1 | R82 | R82-Y84 HydrophobicContact CB-CE1 4.22Å; R82-Y84 HydrophobicContact CB-CE2 4.46Å; R82-Y84 PolarHBondContact O-N 2.95Å |
| 85 | Q | 93.3 | Very high | 94.7 | Very high | 70 Ų | 70 | 46.7 Ų | 46.7 | 33% | 0.327 | 23% | 0.225 | S | C | . | . | trans | -150.7 | 83.4 | -175.4 | -172.6 | 163.1 | 35.1 | 0 | 0 | 112.1 | R82 Q87 K88 | R82-Q85 CarbonylContact O-C 3.53Å; R82-Q85 PolarHBondContact O-N 3.4Å; Q85-Q87 PolarHBondContact O-N 3.37Å; Q85-Q87 VanDerWaalsContact O-N 3.15Å; Q85-K88 HydrophobicContact CG-CB 4.19Å; Q85-K88 HydrophobicContact CG-CD 4.25Å; Q85-K88 HydrophobicContact CG-CG 4.05Å; Q85-K88 VanDerWaalsContact NE2-CE 3.32Å; Q85-K88 PolarHBondContact O-N 3.42Å; Q85-K88 VanDerWaalsContact O-O 3.05Å; Q85-K88 VanDerWaalsContact OE1-CD 3.3Å | ||
| 86 | D | 92.8 | Very high | 94.6 | Very high | 77 Ų | 77 | 48 Ų | 48 | 41% | 0.412 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -28.1 | -176.8 | -175 | 46.3 | 0 | 0 | 0 | 114.4 | R57 K88 | R57-D86 WeakPolarHBondContact CD-O 3.44Å; R57-D86 WeakPolarHBondContact CG-O 3.22Å; R57-D86 IonicContact CZ-OD1 3.51Å; R57-D86 PolarHBondContact NE-O 3.47Å; R57-D86 IonicContact NE-OD1 3.35Å; R57-D86 PolarHBondContact NE-OD1 2.84Å; R57-D86 IonicContact NH2-OD1 3.61Å; R57-D86 PolarHBondContact NH2-OD1 3.31Å; R57-D86 IonicContact NH2-OD2 2.94Å; D86-K88 PolarHBondContact O-N 3.35Å; D86-K88 VanDerWaalsContact O-N 3.12Å |
| 87 | Q | 94.7 | Very high | 94.3 | Very high | 114 Ų | 114 | 48.3 Ų | 48.3 | 53% | 0.533 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -7.6 | 177.4 | -64 | -63.3 | -55.2 | 0 | 0 | 113.9 | L58 Q85 | L58-Q87 PolarHBondContact N-O 2.83Å; Q85-Q87 PolarHBondContact O-N 3.37Å; Q85-Q87 VanDerWaalsContact O-N 3.15Å |
| 88 | K | 95.6 | Very high | 93.9 | Very high | 76 Ų | 76 | 53.1 Ų | 53.1 | 33% | 0.33 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 146.1 | -179 | -63.3 | -171.8 | -167.2 | 153.8 | 0 | 111 | L58 Q85 D86 | L58-K88 HydrophobicContact CB-CG 4.47Å; L58-K88 WeakPolarHBondContact O-CA 3.24Å; Q85-K88 HydrophobicContact CG-CB 4.19Å; Q85-K88 HydrophobicContact CG-CD 4.25Å; Q85-K88 HydrophobicContact CG-CG 4.05Å; Q85-K88 VanDerWaalsContact NE2-CE 3.32Å; Q85-K88 PolarHBondContact O-N 3.42Å; Q85-K88 VanDerWaalsContact O-O 3.05Å; Q85-K88 VanDerWaalsContact OE1-CD 3.3Å; D86-K88 PolarHBondContact O-N 3.35Å; D86-K88 VanDerWaalsContact O-N 3.12Å |
| 89 | A | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 169.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | R57 L58 C59 H60 V79 G80 L81 | R57-A89 HydrophobicContact CB-CB 4.41Å; L58-A89 PolarHBondContact O-N 2.8Å; L58-A89 VanDerWaalsContact O-N 3.1Å; C59-A89 CarbonylContact C-O 3.51Å; C59-A89 VanDerWaalsContact CA-O 3.24Å; C59-A89 WeakPolarHBondContact CA-O 3.48Å; H60-A89 PolarHBondContact N-O 3.34Å; V79-A89 HydrophobicContact CB-CB 4.04Å; V79-A89 HydrophobicContact CG2-CB 4.35Å; G80-A89 WeakPolarHBondContact O-CA 3.49Å; G80-A89 VanDerWaalsContact O-CB 3.32Å; G80-A89 WeakPolarHBondContact O-CB 3.42Å; L81-A89 HydrophobicContact CD2-CB 4.45Å |
| 90 | D | 96.3 | Very high | 93.3 | Very high | 48 Ų | 48 | 54.1 Ų | 54.1 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 137.6 | 175.3 | -68.8 | -83.1 | 0 | 0 | 0 | 110.2 | H60 V79 G80 R82 I92 | H60-D90 IonicContact CG-OD1 2.69Å; H60-D90 IonicContact ND1-OD1 3.21Å; H60-D90 CarbonylContact O-C 3.51Å; H60-D90 WeakPolarHBondContact O-CA 3.4Å; V79-D90 CarbonylContact C-O 3.59Å; V79-D90 WeakPolarHBondContact CA-O 3.41Å; G80-D90 PolarHBondContact N-O 3.29Å; G80-D90 PolarHBondContact O-N 3.03Å; R82-D90 IonicContact CZ-OD2 3.29Å; R82-D90 IonicContact NE-OD2 2.71Å; R82-D90 PolarHBondContact NE-OD2 3.23Å; R82-D90 VanDerWaalsContact NH2-CG 3.29Å; R82-D90 IonicContact NH2-OD1 3.11Å; R82-D90 PolarHBondContact NH2-OD1 2.87Å; R82-D90 VanDerWaalsContact NH2-OD1 3.07Å; R82-D90 IonicContact NH2-OD2 3.57Å; R82-D90 PolarHBondContact NH2-OD2 3.01Å; D90-I92 PolarHBondContact O-N 2.95Å |
| 91 | V | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.7 | 179.9 | -173.4 | 0 | 0 | 0 | 0 | 110 | L47 C59 H60 I61 R62 L65 I71 I77 | L47-V91 HydrophobicContact CD2-CG2 4.21Å; C59-V91 HydrophobicContact CB-CG2 3.83Å; H60-V91 PolarHBondContact O-N 3.49Å; I61-V91 HydrophobicContact CG1-CG2 4.36Å; R62-V91 WeakPolarHBondContact CB-O 3.5Å; L65-V91 HydrophobicContact CD1-CG1 4.45Å; L65-V91 VanDerWaalsContact CD1-O 3.27Å; L65-V91 WeakPolarHBondContact CD1-O 3.43Å; I71-V91 HydrophobicContact CD1-CG1 4Å; I77-V91 HydrophobicContact CB-CG1 4.25Å; I77-V91 HydrophobicContact CD1-CG1 4.26Å; I77-V91 HydrophobicContact CD1-CG2 4Å; I77-V91 HydrophobicContact CG2-CG1 4.42Å |
| 92 | I | 95.4 | Very high | 92.7 | Very high | 45 Ų | 45 | 58.3 Ų | 58.3 | 23% | 0.231 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -44.8 | -178 | -61.9 | 176.4 | 0 | 0 | 0 | 111.4 | Q33 L65 L78 D90 | Q33-I92 HydrophobicContact CG-CD1 3.75Å; L65-I92 VanDerWaalsContact CD1-O 3.29Å; L65-I92 WeakPolarHBondContact CD1-O 3.32Å; 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 3.11Å; D90-I92 PolarHBondContact O-N 2.95Å |
| 93 | L | 94.4 | Very high | 92.6 | Very high | 31 Ų | 31 | 55.6 Ų | 55.6 | 16% | 0.162 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 149.5 | -174 | -176.1 | 65.2 | 0 | 0 | 0 | 110.5 | V27 I77 L78 Y95 | V27-L93 HydrophobicContact CB-CD2 3.9Å; V27-L93 HydrophobicContact CG1-CD2 4.48Å; V27-L93 HydrophobicContact CG2-CD2 4.17Å; I77-L93 WeakPolarHBondContact CA-O 3.5Å; L78-L93 HydrophobicContact CB-CB 4.01Å; L78-L93 HydrophobicContact CD2-CB 4.39Å; L78-L93 PolarHBondContact N-O 2.86Å; L78-L93 PolarHBondContact O-N 3.05Å; L93-Y95 HydrophobicContact CD2-CD1 4.38Å; L93-Y95 HydrophobicContact CD2-CE1 3.88Å |
| 94 | K | 93.8 | Very high | 92.6 | Very high | 39 Ų | 39 | 51.8 Ų | 51.8 | 17% | 0.17 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.3 | 164.3 | 176.8 | -163.4 | 170.3 | -175.4 | 0 | 108 | R24 V69 W70 I71 D75 I77 | R24-K94 PolarHBondContact NH2-O 2.92Å; V69-K94 HydrophobicContact CG1-CB 3.79Å; V69-K94 HydrophobicContact CG1-CD 3.47Å; V69-K94 VanDerWaalsContact CG1-CD 3.47Å; V69-K94 HydrophobicContact CG1-CG 4.25Å; W70-K94 WeakPolarHBondContact O-CD 3.27Å; W70-K94 PolarHBondContact O-NZ 3.39Å; I71-K94 HydrophobicContact CG1-CB 4.5Å; I71-K94 HydrophobicContact CG1-CD 4.48Å; D75-K94 VanDerWaalsContact OD2-CE 3.24Å; D75-K94 WeakPolarHBondContact OD2-CE 3.46Å; D75-K94 IonicContact OD2-NZ 2.63Å; I77-K94 HydrophobicContact CG2-CB 4.44Å |
| 95 | Y | 92.9 | Very high | 92.5 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | trans | -88.5 | 142 | 171.1 | -64.4 | -75.3 | 0 | 0 | 0 | 110.9 | L26 V27 Y35 I76 L78 L93 E99 L103 | L26-Y95 HydrophobicContact CD1-CD1 4.2Å; L26-Y95 HydrophobicContact CD1-CE1 4.15Å; V27-Y95 VanDerWaalsContact O-CE1 3.32Å; V27-Y95 WeakPolarHBondContact O-CE1 3.39Å; V27-Y95 PolarHBondContact O-OH 3.25Å; Y35-Y95 AromaticContact CD1-CE2 3.87Å; Y35-Y95 HydrophobicContact CD1-CE2 3.87Å; Y35-Y95 AromaticContact CE1-CE2 3.89Å; Y35-Y95 HydrophobicContact CE1-CE2 3.89Å; Y35-Y95 AromaticContact CE1-CZ 3.85Å; Y35-Y95 WeakPolarHBondContact CE1-OH 3.21Å; I76-Y95 HydrophobicContact CG2-CD2 3.99Å; I76-Y95 PolarHBondContact O-N 3.47Å; L78-Y95 HydrophobicContact CB-CE2 3.8Å; L93-Y95 HydrophobicContact CD2-CD1 4.38Å; L93-Y95 HydrophobicContact CD2-CE1 3.88Å; Y95-E99 VanDerWaalsContact CA-OE2 3.29Å; Y95-E99 WeakPolarHBondContact CA-OE2 3.19Å; Y95-E99 HydrophobicContact CD1-CB 4.01Å; Y95-L103 HydrophobicContact CD1-CD1 3.84Å; Y95-L103 HydrophobicContact CD2-CD1 3.99Å; Y95-L103 HydrophobicContact CE1-CD1 3.83Å; Y95-L103 HydrophobicContact CE2-CD1 3.98Å; Y95-L103 HydrophobicContact CG-CD1 3.91Å | ||
| 96 | N | 90.8 | Very high | 92.3 | Very high | 50 Ų | 50 | 52.4 Ų | 52.4 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | trans | -73.3 | 165.7 | 168 | -68.6 | 1.3 | 0 | 0 | 0 | 110.2 | D98 E99 A100 | N96-D98 VanDerWaalsContact C-N 3.26Å; N96-D98 PolarHBondContact O-N 2.93Å; N96-E99 HydrophobicContact CB-CG 4.3Å; N96-E99 PolarHBondContact N-OE2 3.31Å; N96-E99 PolarHBondContact O-N 3.04Å; N96-A100 WeakPolarHBondContact O-CB 3.29Å; N96-A100 PolarHBondContact O-N 2.95Å | ||
| 97 | A | 88.4 | Confident | 92.2 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.6 | -41.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A100 R101 I115 | A97-A100 PolarHBondContact O-N 3.45Å; A97-R101 WeakPolarHBondContact O-CG 3.46Å; A97-R101 PolarHBondContact O-N 2.88Å; A97-I115 HydrophobicContact CB-CG2 4.42Å |
| 98 | D | 88.1 | Confident | 91.9 | Very high | 100 Ų | 100 | 49.7 Ų | 49.7 | 54% | 0.535 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 176.9 | -69.1 | -12.1 | 0 | 0 | 0 | 112.3 | N96 A100 R101 S102 | N96-D98 VanDerWaalsContact C-N 3.26Å; N96-D98 PolarHBondContact O-N 2.93Å; D98-A100 VanDerWaalsContact C-N 3.29Å; D98-A100 PolarHBondContact O-N 2.84Å; D98-R101 PolarHBondContact O-N 2.88Å; D98-R101 VanDerWaalsContact O-N 3.11Å; D98-R101 IonicContact OD1-CZ 2.76Å; D98-R101 IonicContact OD1-NH1 3.07Å; D98-R101 PolarHBondContact OD1-NH1 2.89Å; D98-S102 PolarHBondContact O-N 2.63Å; D98-S102 PolarHBondContact O-OG 3.02Å |
| 99 | E | 90.3 | Very high | 91.5 | Very high | 23 Ų | 23 | 46.4 Ų | 46.4 | 11% | 0.107 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 176.5 | -67.3 | 176.1 | 148.7 | 0 | 0 | 111.1 | R24 L26 Y95 N96 R101 S102 L103 | R24-E99 IonicContact CZ-OE1 2.82Å; R24-E99 IonicContact CZ-OE2 3.45Å; R24-E99 IonicContact NE-OE1 3.9Å; R24-E99 PolarHBondContact NE-OE1 3.22Å; R24-E99 IonicContact NE-OE2 2.78Å; R24-E99 IonicContact NH2-OE1 2.75Å; R24-E99 PolarHBondContact NH2-OE1 2.9Å; R24-E99 IonicContact NH2-OE2 3.25Å; R24-E99 PolarHBondContact NH2-OE2 3.26Å; L26-E99 HydrophobicContact CD1-CB 3.7Å; L26-E99 HydrophobicContact CD1-CG 4Å; Y95-E99 VanDerWaalsContact CA-OE2 3.29Å; Y95-E99 WeakPolarHBondContact CA-OE2 3.19Å; Y95-E99 HydrophobicContact CD1-CB 4.01Å; N96-E99 HydrophobicContact CB-CG 4.3Å; N96-E99 PolarHBondContact N-OE2 3.31Å; N96-E99 PolarHBondContact O-N 3.04Å; E99-R101 VanDerWaalsContact C-N 3.35Å; E99-R101 PolarHBondContact O-N 2.91Å; E99-S102 WeakPolarHBondContact O-CB 3.42Å; E99-S102 PolarHBondContact O-N 3.33Å; E99-L103 WeakPolarHBondContact O-CG 3.36Å; E99-L103 PolarHBondContact O-N 3.25Å |
| 100 | A | 90.6 | Very high | 91 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.4 | -37.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I76 N96 A97 D98 L103 K104 I115 | I76-A100 HydrophobicContact CB-CB 4.23Å; I76-A100 HydrophobicContact CG1-CB 3.95Å; N96-A100 WeakPolarHBondContact O-CB 3.29Å; N96-A100 PolarHBondContact O-N 2.95Å; A97-A100 PolarHBondContact O-N 3.45Å; D98-A100 VanDerWaalsContact C-N 3.29Å; D98-A100 PolarHBondContact O-N 2.84Å; A100-L103 PolarHBondContact O-N 2.78Å; A100-K104 PolarHBondContact O-N 3.22Å; A100-I115 HydrophobicContact CB-CD1 4Å; A100-I115 HydrophobicContact CB-CG1 4.15Å; A100-I115 HydrophobicContact CB-CG2 3.92Å |
| 101 | R | 89.4 | Confident | 90.2 | Very high | 103 Ų | 103 | 54.3 Ų | 54.3 | 39% | 0.389 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 173.3 | -66.7 | -168.6 | -152 | 103.1 | -0.9 | 111.2 | A97 D98 E99 K104 A105 I115 E117 | A97-R101 WeakPolarHBondContact O-CG 3.46Å; A97-R101 PolarHBondContact O-N 2.88Å; D98-R101 PolarHBondContact O-N 2.88Å; D98-R101 VanDerWaalsContact O-N 3.11Å; D98-R101 IonicContact OD1-CZ 2.76Å; D98-R101 IonicContact OD1-NH1 3.07Å; D98-R101 PolarHBondContact OD1-NH1 2.89Å; E99-R101 VanDerWaalsContact C-N 3.35Å; E99-R101 PolarHBondContact O-N 2.91Å; R101-K104 WeakPolarHBondContact O-CB 3.49Å; R101-K104 PolarHBondContact O-N 3Å; R101-A105 PolarHBondContact O-N 2.66Å; R101-I115 HydrophobicContact CG-CD1 3.98Å; R101-E117 IonicContact CZ-OE1 2.84Å; R101-E117 IonicContact NE-OE1 3.78Å; R101-E117 PolarHBondContact NE-OE1 2.86Å; R101-E117 IonicContact NH2-OE1 3.86Å; R101-E117 PolarHBondContact NH2-OE1 2.97Å |
| 102 | S | 90.8 | Very high | 89.2 | Confident | 52 Ų | 52 | 61.6 Ų | 61.6 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 173.2 | -64.2 | 0 | 0 | 0 | 0 | 111.6 | D98 E99 K104 A105 Y106 | D98-S102 PolarHBondContact O-N 2.63Å; D98-S102 PolarHBondContact O-OG 3.02Å; E99-S102 WeakPolarHBondContact O-CB 3.42Å; E99-S102 PolarHBondContact O-N 3.33Å; S102-K104 VanDerWaalsContact C-N 3.27Å; S102-K104 PolarHBondContact O-N 2.82Å; S102-A105 WeakPolarHBondContact O-CA 3.47Å; S102-A105 WeakPolarHBondContact O-CB 3.45Å; S102-A105 PolarHBondContact O-N 3.37Å; S102-Y106 WeakPolarHBondContact O-CD2 3.01Å; S102-Y106 PolarHBondContact O-N 2.84Å |
| 103 | L | 91.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.3 | -38.9 | 176.3 | -73.8 | 170.4 | 0 | 0 | 0 | 112.5 | L26 F28 Y35 Y95 E99 A100 Y106 G107 E108 L109 | L26-L103 HydrophobicContact CD1-CD2 4.41Å; L26-L103 HydrophobicContact CD1-CG 4.18Å; L26-L103 HydrophobicContact CD2-CD2 4.03Å; L26-L103 HydrophobicContact CD2-CG 4.22Å; L26-L103 HydrophobicContact CG-CD2 4.36Å; F28-L103 HydrophobicContact CD1-CD2 4.15Å; F28-L103 HydrophobicContact CE1-CD2 4.2Å; Y35-L103 HydrophobicContact CD1-CD1 4.44Å; Y35-L103 HydrophobicContact CE1-CD1 4Å; Y35-L103 HydrophobicContact CE1-CD2 4.09Å; Y35-L103 WeakPolarHBondContact OH-CD2 3.1Å; Y95-L103 HydrophobicContact CD1-CD1 3.84Å; Y95-L103 HydrophobicContact CD2-CD1 3.99Å; Y95-L103 HydrophobicContact CE1-CD1 3.83Å; Y95-L103 HydrophobicContact CE2-CD1 3.98Å; Y95-L103 HydrophobicContact CG-CD1 3.91Å; E99-L103 WeakPolarHBondContact O-CG 3.36Å; E99-L103 PolarHBondContact O-N 3.25Å; A100-L103 PolarHBondContact O-N 2.78Å; L103-Y106 PolarHBondContact O-N 3.33Å; L103-G107 PolarHBondContact O-N 2.73Å; L103-E108 HydrophobicContact CB-CB 4.46Å; L103-E108 HydrophobicContact CD2-CB 4.16Å; L103-E108 HydrophobicContact CD2-CG 4.28Å; L103-E108 PolarHBondContact O-N 3.49Å; L103-L109 HydrophobicContact CB-CD1 3.7Å; L103-L109 HydrophobicContact CB-CG 3.94Å; L103-L109 HydrophobicContact CD1-CD1 4.37Å |
| 104 | K | 90.5 | Very high | 87.9 | Confident | 81 Ų | 81 | 66.6 Ų | 66.6 | 35% | 0.352 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 173.2 | -170.1 | -179.3 | -173.4 | 173.7 | 0 | 111.9 | A100 R101 S102 Y106 G107 E111 I115 | A100-K104 PolarHBondContact O-N 3.22Å; R101-K104 WeakPolarHBondContact O-CB 3.49Å; R101-K104 PolarHBondContact O-N 3Å; S102-K104 VanDerWaalsContact C-N 3.27Å; S102-K104 PolarHBondContact O-N 2.82Å; K104-Y106 VanDerWaalsContact C-N 3.3Å; K104-Y106 PolarHBondContact O-N 3.46Å; K104-G107 PolarHBondContact O-N 2.96Å; K104-G107 VanDerWaalsContact O-N 3.09Å; K104-E111 WeakPolarHBondContact CE-O 3.4Å; K104-E111 PolarHBondContact NZ-O 2.88Å; K104-I115 HydrophobicContact CD-CD1 4.32Å |
| 105 | A | 89.1 | Confident | 87.5 | Confident | 90 Ų | 90 | 66.6 Ų | 66.6 | 74% | 0.744 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.4 | -32.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R101 S102 G107 | R101-A105 PolarHBondContact O-N 2.66Å; S102-A105 WeakPolarHBondContact O-CA 3.47Å; S102-A105 WeakPolarHBondContact O-CB 3.45Å; S102-A105 PolarHBondContact O-N 3.37Å; A105-G107 VanDerWaalsContact C-N 3.25Å; A105-G107 PolarHBondContact O-N 3.15Å |
| 106 | Y | 90.5 | Very high | 86.8 | Confident | 154 Ų | 154 | 69.4 Ų | 69.4 | 60% | 0.604 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -8.8 | 173.2 | -70.9 | -64.9 | 0 | 0 | 0 | 113.9 | L26 F28 S102 L103 K104 E108 | L26-Y106 HydrophobicContact CD2-CD2 3.97Å; L26-Y106 HydrophobicContact CD2-CE2 3.85Å; F28-Y106 HydrophobicContact CE1-CD2 4.07Å; F28-Y106 HydrophobicContact CE1-CG 4.23Å; F28-Y106 HydrophobicContact CZ-CD2 4.03Å; F28-Y106 HydrophobicContact CZ-CE2 4.18Å; F28-Y106 HydrophobicContact CZ-CG 4.36Å; S102-Y106 WeakPolarHBondContact O-CD2 3.01Å; S102-Y106 PolarHBondContact O-N 2.84Å; L103-Y106 PolarHBondContact O-N 3.33Å; K104-Y106 VanDerWaalsContact C-N 3.3Å; K104-Y106 PolarHBondContact O-N 3.46Å; Y106-E108 VanDerWaalsContact C-N 3.33Å |
| 107 | G | 89.4 | Confident | 85.5 | Confident | 60 Ų | 60 | 73.5 Ų | 73.5 | 62% | 0.619 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | 11.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | L103 K104 A105 L109 | L103-G107 PolarHBondContact O-N 2.73Å; K104-G107 PolarHBondContact O-N 2.96Å; K104-G107 VanDerWaalsContact O-N 3.09Å; A105-G107 VanDerWaalsContact C-N 3.25Å; A105-G107 PolarHBondContact O-N 3.15Å; G107-L109 VanDerWaalsContact C-N 3.32Å |
| 108 | E | 89.8 | Confident | 83.9 | Confident | 74 Ų | 74 | 77.8 Ų | 77.8 | 35% | 0.346 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -75.1 | -25.2 | 176.6 | -69 | -61.7 | 154.7 | 0 | 0 | 112.5 | F28 Y35 L103 Y106 | F28-E108 HydrophobicContact CD1-CG 4.1Å; F28-E108 HydrophobicContact CE1-CG 4.27Å; Y35-E108 HydrophobicContact CD2-CB 4.48Å; Y35-E108 HydrophobicContact CE2-CB 3.76Å; Y35-E108 HydrophobicContact CE2-CG 4.27Å; L103-E108 HydrophobicContact CB-CB 4.46Å; L103-E108 HydrophobicContact CD2-CB 4.16Å; L103-E108 HydrophobicContact CD2-CG 4.28Å; L103-E108 PolarHBondContact O-N 3.49Å; Y106-E108 VanDerWaalsContact C-N 3.33Å |
| 109 | L | 87.4 | Confident | 82.1 | Confident | 8 Ų | 8 | 76.8 Ų | 76.8 | 4% | 0.042 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -111.8 | 141 | 177.1 | -62.3 | 176 | 0 | 0 | 0 | 110.4 | Y35 F52 I76 L103 G107 A113 | Y35-L109 HydrophobicContact CD2-CD2 4.32Å; Y35-L109 HydrophobicContact CG-CD2 4.07Å; F52-L109 HydrophobicContact CD2-CD2 3.71Å; F52-L109 HydrophobicContact CE2-CD2 3.42Å; F52-L109 VanDerWaalsContact CE2-CD2 3.42Å; F52-L109 HydrophobicContact CG-CD2 4.37Å; F52-L109 HydrophobicContact CZ-CD2 3.85Å; I76-L109 HydrophobicContact CG2-CD1 4.23Å; L103-L109 HydrophobicContact CB-CD1 3.7Å; L103-L109 HydrophobicContact CB-CG 3.94Å; L103-L109 HydrophobicContact CD1-CD1 4.37Å; G107-L109 VanDerWaalsContact C-N 3.32Å; L109-A113 HydrophobicContact CB-CB 4.47Å |
| 110 | P | 86.2 | Confident | 80 | Confident | 41 Ų | 41 | 80.8 Ų | 80.8 | 27% | 0.266 | 43% | 0.426 | S | S | . | . | trans | -58.1 | 145.6 | 173.1 | -22.4 | 32.4 | 0 | 0 | 0 | 112.3 | F52 H112 A113 | F52-P110 VanDerWaalsContact CD1-CD 3.4Å; F52-P110 HydrophobicContact CD1-CG 3.67Å; F52-P110 HydrophobicContact CE1-CG 4.17Å; P110-H112 WeakPolarHBondContact CB-CE1 3.29Å; P110-H112 WeakPolarHBondContact CB-ND1 3.32Å; P110-H112 PolarHBondContact O-N 3.38Å; P110-A113 VanDerWaalsContact O-CB 3.25Å; P110-A113 WeakPolarHBondContact O-CB 3.44Å; P110-A113 PolarHBondContact O-N 3.49Å | ||
| 111 | E | 78 | Confident | 78 | Confident | 172 Ų | 172 | 87.9 Ų | 87.9 | 80% | 0.804 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -27.5 | -178.6 | -79.5 | -164.9 | 145.5 | 0 | 0 | 114 | K104 A113 | K104-E111 WeakPolarHBondContact CE-O 3.4Å; K104-E111 PolarHBondContact NZ-O 2.88Å; E111-A113 VanDerWaalsContact C-N 3.29Å; E111-A113 PolarHBondContact O-N 2.96Å |
| 112 | H | 76.8 | Confident | 75.7 | Confident | 154 Ų | 154 | 85.1 Ų | 85.1 | 71% | 0.713 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 0.7 | -179.2 | 64.9 | -92.5 | 0 | 0 | 0 | 113.8 | P110 K114 | P110-H112 WeakPolarHBondContact CB-CE1 3.29Å; P110-H112 WeakPolarHBondContact CB-ND1 3.32Å; P110-H112 PolarHBondContact O-N 3.38Å; H112-K114 PolarHBondContact O-N 3.17Å |
| 113 | A | 80.7 | Confident | 73.6 | Confident | 9 Ų | 9 | 89.9 Ų | 89.9 | 7% | 0.074 | 49% | 0.49 | C | S | . | . | trans | -61.8 | 119.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110 | F52 L109 P110 E111 I115 | F52-A113 HydrophobicContact CE1-CB 3.98Å; F52-A113 HydrophobicContact CZ-CB 4.06Å; L109-A113 HydrophobicContact CB-CB 4.47Å; P110-A113 VanDerWaalsContact O-CB 3.25Å; P110-A113 WeakPolarHBondContact O-CB 3.44Å; P110-A113 PolarHBondContact O-N 3.49Å; E111-A113 VanDerWaalsContact C-N 3.29Å; E111-A113 PolarHBondContact O-N 2.96Å; A113-I115 PolarHBondContact O-N 2.89Å | ||
| 114 | K | 81.9 | Confident | 71.4 | Confident | 172 Ų | 172 | 92.3 Ų | 92.3 | 75% | 0.748 | 52% | 0.515 | S | S | * | . | trans | -82.2 | 105.8 | 177.1 | -67.9 | -177.2 | -179.6 | -176.6 | 0 | 108.9 | Q37 H112 | Q37-K114 PolarHBondContact NE2-O 2.8Å; H112-K114 PolarHBondContact O-N 3.17Å | ||
| 115 | I | 84.4 | Confident | 69.3 | Low | 38 Ų | 38 | 94.8 Ų | 94.8 | 20% | 0.195 | 53% | 0.532 | C | S | . | . | trans | -85.9 | 128.1 | 176.1 | -58.2 | 168.6 | 0 | 0 | 0 | 107.6 | A97 A100 R101 K104 A113 | A97-I115 HydrophobicContact CB-CG2 4.42Å; A100-I115 HydrophobicContact CB-CD1 4Å; A100-I115 HydrophobicContact CB-CG1 4.15Å; A100-I115 HydrophobicContact CB-CG2 3.92Å; R101-I115 HydrophobicContact CG-CD1 3.98Å; K104-I115 HydrophobicContact CD-CD1 4.32Å; A113-I115 PolarHBondContact O-N 2.89Å | ||
| 116 | N | 77.7 | Confident | 67.4 | Low | 63 Ų | 63 | 96.7 Ų | 96.7 | 34% | 0.337 | 53% | 0.53 | S | S | . | . | trans | -79.4 | 125.2 | 176.1 | -167.7 | 2 | 0 | 0 | 0 | 109.5 | T118 | N116-T118 VanDerWaalsContact C-N 3.28Å; N116-T118 PolarHBondContact O-N 2.77Å; N116-T118 PolarHBondContact OD1-N 2.72Å; N116-T118 PolarHBondContact OD1-OG1 2.93Å | ||
| 117 | E | 63.4 | Low | 65.3 | Low | 137 Ų | 137 | 97.6 Ų | 97.6 | 64% | 0.64 | 54% | 0.54 | S | S | * | . | trans | -95.3 | 38.1 | 177.6 | -60 | -163.6 | 139.7 | 0 | 0 | 111.6 | R101 D119 | R101-E117 IonicContact CZ-OE1 2.84Å; R101-E117 IonicContact NE-OE1 3.78Å; R101-E117 PolarHBondContact NE-OE1 2.86Å; R101-E117 IonicContact NH2-OE1 3.86Å; R101-E117 PolarHBondContact NH2-OE1 2.97Å; E117-D119 VanDerWaalsContact C-N 3.3Å; E117-D119 PolarHBondContact O-N 2.77Å | ||
| 118 | T | 54.9 | Low | 63.4 | Low | 101 Ų | 101 | 101.8 Ų | 101.8 | 62% | 0.62 | 55% | 0.548 | S | S | * | . | trans | -95.8 | 63.5 | 171.6 | -49.2 | 0 | 0 | 0 | 0 | 108.7 | N116 | N116-T118 VanDerWaalsContact C-N 3.28Å; N116-T118 PolarHBondContact O-N 2.77Å; N116-T118 PolarHBondContact OD1-N 2.72Å; N116-T118 PolarHBondContact OD1-OG1 2.93Å | ||
| 119 | D | 51.4 | Low | 62 | Low | 79 Ų | 79 | 105.8 Ų | 105.8 | 42% | 0.422 | 57% | 0.57 | S | S | . | * | trans | -92.8 | 111.5 | 155.8 | -126.2 | -22.9 | 0 | 0 | 0 | 106.1 | E117 F121 | E117-D119 VanDerWaalsContact C-N 3.3Å; E117-D119 PolarHBondContact O-N 2.77Å; D119-F121 PolarHBondContact O-N 3.33Å | ||
| 120 | T | 46.8 | Very low | 60.5 | Low | 108 Ų | 108 | 113.2 Ų | 113.2 | 66% | 0.663 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -66.5 | 14.5 | 176.2 | -38.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 121 | F | 47.8 | Very low | 58.9 | Low | 149 Ų | 149 | 119.9 Ų | 119.9 | 65% | 0.654 | 63% | 0.63 | S | S | * | * | trans | -127.2 | 75.5 | 179 | -65.7 | -82.5 | 0 | 0 | 0 | 108.1 | D119 | D119-F121 PolarHBondContact O-N 3.33Š| ||
| 122 | G | 42 | Very low | 57.6 | Low | 45 Ų | 45 | 117.8 Ų | 117.8 | 46% | 0.464 | 62% | 0.624 | S | S | . | * | trans | -60.2 | 151.6 | 145.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | G124 | G122-G124 PolarHBondContact O-N 3.43Š| ||
| 123 | P | 45.8 | Very low | 56.6 | Low | 153 Ų | 153 | 117.9 Ų | 117.9 | 99% | 0.994 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 36.1 | 176 | 29.8 | -35.4 | 0 | 0 | 0 | 113.4 | ||
| 124 | G | 44 | Very low | 55.4 | Low | 51 Ų | 51 | 124.2 Ų | 124.2 | 53% | 0.526 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -126.8 | -8.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116 | G122 | G122-G124 PolarHBondContact O-N 3.43Š|
| 125 | D | 46.8 | Very low | 53.9 | Low | 132 Ų | 132 | 118.2 Ų | 118.2 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -113.7 | 10.6 | -174.5 | -65.4 | -9.1 | 0 | 0 | 0 | 113.8 | ||
| 126 | D | 49.5 | Very low | 52.5 | Low | 131 Ų | 131 | 124 Ų | 124 | 70% | 0.701 | 68% | 0.679 | S | S | * | * | trans | -92.4 | 40 | 159.6 | -77.3 | -28.5 | 0 | 0 | 0 | 109.7 | D128 | D126-D128 PolarHBondContact O-N 3.2Š| ||
| 127 | E | 47.4 | Very low | 51.2 | Low | 173 Ų | 173 | 127.6 Ų | 127.6 | 81% | 0.808 | 70% | 0.699 | S | S | * | * | trans | -67.7 | 96.6 | 150.6 | -80.4 | -167.4 | 179.9 | 0 | 0 | 105.7 | I129 | E127-I129 PolarHBondContact O-N 2.69Š| ||
| 128 | D | 49.3 | Very low | 50.8 | Low | 147 Ų | 147 | 128.5 Ų | 128.5 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | trans | -40.4 | 105.1 | 168.5 | -72.6 | -54.5 | 0 | 0 | 0 | 108.6 | D126 Q130 | D126-D128 PolarHBondContact O-N 3.2Å; D128-Q130 PolarHBondContact O-N 3.29Å | ||
| 129 | I | 59.4 | Low | 50.8 | Low | 158 Ų | 158 | 131.6 Ų | 131.6 | 81% | 0.81 | 72% | 0.715 | S | S | * | * | trans | -68.1 | 84.4 | 160.8 | -56.9 | 175.8 | 0 | 0 | 0 | 104.5 | E127 F131 | E127-I129 PolarHBondContact O-N 2.69Å; I129-F131 VanDerWaalsContact C-N 3.27Å; I129-F131 PolarHBondContact O-N 2.81Å | ||
| 130 | Q | 55.3 | Low | 51 | Low | 165 Ų | 165 | 135 Ų | 135 | 77% | 0.771 | 73% | 0.733 | S | S | * | * | trans | -64 | 98.9 | 167.2 | -165.9 | 171 | 7.8 | 0 | 0 | 104.6 | D128 D132 | D128-Q130 PolarHBondContact O-N 3.29Å; Q130-D132 PolarHBondContact O-N 3.47Å | ||
| 131 | F | 53.2 | Low | 51.3 | Low | 181 Ų | 181 | 137.6 Ų | 137.6 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | trans | -64.7 | 93.1 | 168.4 | -145.3 | -88.8 | 0 | 0 | 0 | 104.7 | I129 D133 | I129-F131 VanDerWaalsContact C-N 3.27Å; I129-F131 PolarHBondContact O-N 2.81Å; F131-D133 PolarHBondContact O-N 3.42Å | ||
| 132 | D | 51.8 | Low | 51.6 | Low | 128 Ų | 128 | 137.3 Ų | 137.3 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | trans | -55.1 | 130.8 | 167.9 | -126.3 | -2.8 | 0 | 0 | 0 | 105.4 | Q130 I134 | Q130-D132 PolarHBondContact O-N 3.47Å; D132-I134 PolarHBondContact O-N 2.94Å | ||
| 133 | D | 54.1 | Low | 52.1 | Low | 155 Ų | 155 | 142.5 Ų | 142.5 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | trans | -63.6 | 83.6 | 177.6 | -166.2 | 32 | 0 | 0 | 0 | 106.3 | F131 G135 | F131-D133 PolarHBondContact O-N 3.42Å; D133-G135 PolarHBondContact O-N 2.92Å | ||
| 134 | I | 55.7 | Low | 52 | Low | 142 Ų | 142 | 146.9 Ų | 146.9 | 73% | 0.728 | 78% | 0.777 | S | S | * | * | trans | -60.8 | 97.1 | 167.5 | -73.2 | 174.5 | 0 | 0 | 0 | 103.7 | D132 | D132-I134 PolarHBondContact O-N 2.94Š| ||
| 135 | G | 50.8 | Low | 52.4 | Low | 46 Ų | 46 | 151.7 Ų | 151.7 | 47% | 0.474 | 79% | 0.789 | S | S | . | * | trans | -48.7 | 144.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | D133 D137 | D133-G135 PolarHBondContact O-N 2.92Å; G135-D137 PolarHBondContact O-N 3.4Å | ||
| 136 | D | 54.7 | Low | 52.7 | Low | 159 Ų | 159 | 152.7 Ų | 152.7 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -60.2 | 58.8 | 179.4 | -151.5 | 20.2 | 0 | 0 | 0 | 112.1 | ||
| 137 | D | 51 | Low | 52.9 | Low | 140 Ų | 140 | 153.9 Ų | 153.9 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -110.2 | 82 | 164.5 | -84.9 | -20.1 | 0 | 0 | 0 | 107.2 | G135 E139 | G135-D137 PolarHBondContact O-N 3.4Å; D137-E139 PolarHBondContact O-N 2.87Å | ||
| 138 | D | 54.5 | Low | 53.2 | Low | 155 Ų | 155 | 152.8 Ų | 152.8 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -58.6 | 83.1 | 153.2 | -80.5 | -37.7 | 0 | 0 | 0 | 107.6 | ||||
| 139 | E | 54.8 | Low | 53.4 | Low | 166 Ų | 166 | 153.2 Ų | 153.2 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -91.5 | 106.3 | 155.7 | -80.9 | -165 | -168.8 | 0 | 0 | 108.3 | D137 I141 | D137-E139 PolarHBondContact O-N 2.87Å; E139-I141 PolarHBondContact O-N 2.72Å | ||
| 140 | D | 55.8 | Low | 53 | Low | 151 Ų | 151 | 152.9 Ų | 152.9 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | -22.3 | 105.6 | 169.2 | -57.4 | -54.3 | 0 | 0 | 0 | 114.6 | D142 | D140-D142 PolarHBondContact O-N 2.78Š| ||
| 141 | I | 54.4 | Low | 52.9 | Low | 163 Ų | 163 | 152 Ų | 152 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -91.7 | 87.1 | 157.1 | -64.8 | 174.1 | 0 | 0 | 0 | 107 | E139 | E139-I141 PolarHBondContact O-N 2.72Š| ||
| 142 | D | 53.5 | Low | 52.8 | Low | 142 Ų | 142 | 149.8 Ų | 149.8 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | trans | -77.8 | 138 | 151.1 | -82 | -31.5 | 0 | 0 | 0 | 108.7 | D140 | D140-D142 PolarHBondContact O-N 2.78Š| ||
| 143 | D | 52.6 | Low | 52.9 | Low | 155 Ų | 155 | 151.6 Ų | 151.6 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | 72.8 | 100.5 | 170.6 | -66.6 | -28.6 | 0 | 0 | 0 | 119.4 | ||||
| 144 | I | 43.2 | Very low | 52.8 | Low | 245 Ų | 245 | 151.3 Ų | 151.3 | 100% | 1.256 | 81% | 0.809 | S | S | * | * | -165.4 | 0 | 103.6 | -145 | 152.2 | 0 | 0 | 0 | 113.5 |
Retrieved 144 of 144 residues in 233.3 ms
(Link to these results)