| 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 | 66.1 | Low | 86.8 | Confident | 235 Ų | 235 | 108.1 Ų | 108.1 | 100% | 1.158 | 58% | 0.584 | S | S | * | * | 0 | 0 | 0 | -78.1 | -164.6 | -113.7 | 0 | 0 | 114.3 | |||||
| 2 | T | 82.5 | Confident | 87.3 | Confident | 64 Ų | 64 | 110.1 Ų | 110.1 | 39% | 0.393 | 59% | 0.593 | S | S | . | * | trans | -100.1 | -4.3 | 178.4 | 48.5 | 0 | 0 | 0 | 0 | 114.3 | F4 L5 L10 F13 | T2-F4 VanDerWaalsContact C-N 3.29Å; T2-F4 PolarHBondContact O-N 2.81Å; T2-F4 VanDerWaalsContact O-N 3.15Å; T2-L5 HydrophobicContact CG2-CD1 4.1Å; T2-L5 PolarHBondContact O-N 3.06Å; T2-L10 WeakPolarHBondContact O-CD2 3.3Å; T2-F13 HydrophobicContact CG2-CD1 4.29Å; T2-F13 HydrophobicContact CG2-CD2 4.14Å; T2-F13 HydrophobicContact CG2-CE1 4.03Å; T2-F13 HydrophobicContact CG2-CE2 3.87Å; T2-F13 HydrophobicContact CG2-CG 4.34Å; T2-F13 HydrophobicContact CG2-CZ 3.81Å | ||
| 3 | Q | 82 | Confident | 87.8 | Confident | 145 Ų | 145 | 111.1 Ų | 111.1 | 68% | 0.678 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -19.7 | -164.3 | 74.2 | -170.5 | -4.5 | 0 | 0 | 116.1 | ||
| 4 | F | 88.8 | Confident | 88 | Confident | 181 Ų | 181 | 108.1 Ų | 108.1 | 79% | 0.794 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123 | 23.1 | -176.8 | -60.3 | -56.3 | 0 | 0 | 0 | 112.8 | T2 | T2-F4 VanDerWaalsContact C-N 3.29Å; T2-F4 PolarHBondContact O-N 2.81Å; T2-F4 VanDerWaalsContact O-N 3.15Å |
| 5 | L | 89.6 | Confident | 88.4 | Confident | 56 Ų | 56 | 109.1 Ų | 109.1 | 29% | 0.293 | 60% | 0.602 | S | S | . | * | trans | -72.8 | 148.5 | 176.4 | -70.2 | 172.4 | 0 | 0 | 0 | 110.9 | T2 L9 L10 F13 | T2-L5 HydrophobicContact CG2-CD1 4.1Å; T2-L5 PolarHBondContact O-N 3.06Å; L5-L9 HydrophobicContact CB-CB 4Å; L5-L9 HydrophobicContact CD1-CB 4.34Å; L5-L9 HydrophobicContact CD2-CD1 4.05Å; L5-L10 HydrophobicContact CB-CD2 4.39Å; L5-L10 HydrophobicContact CB-CG 4.17Å; L5-L10 WeakPolarHBondContact O-CD1 3.35Å; L5-L10 WeakPolarHBondContact O-CG 3.44Å; L5-F13 HydrophobicContact CD1-CD2 4.44Å; L5-F13 HydrophobicContact CD1-CE2 3.79Å | ||
| 6 | P | 90.5 | Very high | 88.8 | Confident | 68 Ų | 68 | 117.3 Ų | 117.3 | 44% | 0.442 | 62% | 0.621 | S | S | . | * | trans | -60.1 | 153.1 | 174 | 20.6 | -29.5 | 0 | 0 | 0 | 111.7 | N8 L9 L10 | P6-N8 VanDerWaalsContact CB-OD1 3.32Å; P6-N8 WeakPolarHBondContact CB-OD1 3.11Å; P6-N8 WeakPolarHBondContact CG-OD1 3.38Å; P6-N8 PolarHBondContact O-N 3.37Å; P6-N8 PolarHBondContact O-OD1 3.03Å; P6-L9 HydrophobicContact CG-CD1 4.06Å; P6-L9 HydrophobicContact CG-CG 4.34Å; P6-L9 PolarHBondContact O-N 3.31Å; P6-L10 PolarHBondContact O-N 2.56Å | ||
| 7 | P | 91.5 | Very high | 89.2 | Confident | 110 Ų | 110 | 119.2 Ų | 119.2 | 71% | 0.714 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -54.2 | -33.1 | -170.1 | -28.9 | 35.1 | 0 | 0 | 0 | 115.1 | L9 L10 A11 | P7-L9 VanDerWaalsContact C-N 3.3Å; P7-L9 PolarHBondContact O-N 3.42Å; P7-L10 PolarHBondContact O-N 3.02Å; P7-A11 PolarHBondContact O-N 2.92Å |
| 8 | N | 92.2 | Very high | 89.6 | Confident | 114 Ų | 114 | 119.2 Ų | 119.2 | 61% | 0.61 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.1 | -33.5 | 176.1 | 63.3 | -26.5 | 0 | 0 | 0 | 113.2 | P6 | P6-N8 VanDerWaalsContact CB-OD1 3.32Å; P6-N8 WeakPolarHBondContact CB-OD1 3.11Å; P6-N8 WeakPolarHBondContact CG-OD1 3.38Å; P6-N8 PolarHBondContact O-N 3.37Å; P6-N8 PolarHBondContact O-OD1 3.03Å |
| 9 | L | 91.1 | Very high | 89.9 | Confident | 69 Ų | 69 | 121.3 Ų | 121.3 | 36% | 0.361 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -87.2 | -33.3 | 176.1 | -67.6 | -178 | 0 | 0 | 0 | 111.9 | L5 P6 P7 A11 L12 F13 | L5-L9 HydrophobicContact CB-CB 4Å; L5-L9 HydrophobicContact CD1-CB 4.34Å; L5-L9 HydrophobicContact CD2-CD1 4.05Å; P6-L9 HydrophobicContact CG-CD1 4.06Å; P6-L9 HydrophobicContact CG-CG 4.34Å; P6-L9 PolarHBondContact O-N 3.31Å; P7-L9 VanDerWaalsContact C-N 3.3Å; P7-L9 PolarHBondContact O-N 3.42Å; L9-A11 PolarHBondContact O-N 3.25Å; L9-L12 HydrophobicContact CD2-CD1 4.01Å; L9-L12 WeakPolarHBondContact O-CB 3.35Å; L9-L12 PolarHBondContact O-N 3.31Å; L9-F13 WeakPolarHBondContact O-CD2 3.34Å |
| 10 | L | 90.7 | Very high | 90.2 | Very high | 77 Ų | 77 | 120.9 Ų | 120.9 | 40% | 0.403 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -59.7 | -35.9 | 174.8 | -81.1 | 171.4 | 0 | 0 | 0 | 112.3 | T2 L5 P6 P7 L12 F13 | T2-L10 WeakPolarHBondContact O-CD2 3.3Å; L5-L10 HydrophobicContact CB-CD2 4.39Å; L5-L10 HydrophobicContact CB-CG 4.17Å; L5-L10 WeakPolarHBondContact O-CD1 3.35Å; L5-L10 WeakPolarHBondContact O-CG 3.44Å; P6-L10 PolarHBondContact O-N 2.56Å; P7-L10 PolarHBondContact O-N 3.02Å; L10-L12 PolarHBondContact O-N 3.25Å; L10-F13 PolarHBondContact O-N 3.25Å |
| 11 | A | 90.1 | Very high | 90.4 | Very high | 70 Ų | 70 | 123.2 Ų | 123.2 | 58% | 0.579 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -59.9 | -25.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P7 L9 F13 A14 | P7-A11 PolarHBondContact O-N 2.92Å; L9-A11 PolarHBondContact O-N 3.25Å; A11-F13 PolarHBondContact O-N 3.15Å; A11-A14 PolarHBondContact O-N 3.32Å |
| 12 | L | 92.4 | Very high | 91.7 | Very high | 132 Ų | 132 | 118.9 Ų | 118.9 | 69% | 0.691 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -69.9 | -19.7 | 177.7 | -60.2 | 175.9 | 0 | 0 | 0 | 113 | L9 L10 | L9-L12 HydrophobicContact CD2-CD1 4.01Å; L9-L12 WeakPolarHBondContact O-CB 3.35Å; L9-L12 PolarHBondContact O-N 3.31Å; L10-L12 PolarHBondContact O-N 3.25Å |
| 13 | F | 93.4 | Very high | 92.1 | Very high | 123 Ų | 123 | 120.2 Ų | 120.2 | 54% | 0.539 | 65% | 0.648 | S | S | . | * | G | 310 helix | trans | -104.7 | 19.5 | -178.9 | -58.8 | -78.9 | 0 | 0 | 0 | 112.5 | T2 L5 L9 L10 A11 | T2-F13 HydrophobicContact CG2-CD1 4.29Å; T2-F13 HydrophobicContact CG2-CD2 4.14Å; T2-F13 HydrophobicContact CG2-CE1 4.03Å; T2-F13 HydrophobicContact CG2-CE2 3.87Å; T2-F13 HydrophobicContact CG2-CG 4.34Å; T2-F13 HydrophobicContact CG2-CZ 3.81Å; L5-F13 HydrophobicContact CD1-CD2 4.44Å; L5-F13 HydrophobicContact CD1-CE2 3.79Å; L9-F13 WeakPolarHBondContact O-CD2 3.34Å; L10-F13 PolarHBondContact O-N 3.25Å; A11-F13 PolarHBondContact O-N 3.15Å |
| 14 | A | 90.7 | Very high | 92.3 | Very high | 69 Ų | 69 | 118.3 Ų | 118.3 | 57% | 0.57 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 132.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | A11 | A11-A14 PolarHBondContact O-N 3.32Š|
| 15 | P | 94.2 | Very high | 92.2 | Very high | 124 Ų | 124 | 117.1 Ų | 117.1 | 81% | 0.805 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 150.1 | 178.8 | 27.8 | -34.4 | 0 | 0 | 0 | 110 | ||
| 16 | R | 95.2 | Very high | 91.6 | Very high | 240 Ų | 240 | 120.9 Ų | 120.9 | 91% | 0.906 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 161.6 | 166.9 | -65.1 | -179.8 | 178.8 | -179.8 | -1.4 | 109.4 | ||
| 17 | D | 95.4 | Very high | 90.7 | Very high | 149 Ų | 149 | 124.5 Ų | 124.5 | 80% | 0.797 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 143.4 | 168.6 | -67.2 | -32 | 0 | 0 | 0 | 110.5 | I19 | D17-I19 PolarHBondContact O-N 3.09Š|
| 18 | P | 96.6 | Very high | 89.5 | Confident | 120 Ų | 120 | 127.2 Ų | 127.2 | 78% | 0.779 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 132.2 | -178.7 | 23.8 | -33.4 | 0 | 0 | 0 | 110.2 | ||
| 19 | I | 95.1 | Very high | 88.4 | Confident | 158 Ų | 158 | 125.7 Ų | 125.7 | 81% | 0.81 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 134.2 | 179 | 54 | 173.9 | 0 | 0 | 0 | 110.2 | D17 F21 | D17-I19 PolarHBondContact O-N 3.09Å; I19-F21 PolarHBondContact O-N 2.88Å |
| 20 | P | 95.2 | Very high | 87.3 | Confident | 113 Ų | 113 | 130 Ų | 130 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 131.8 | 172.3 | -24.8 | 33.9 | 0 | 0 | 0 | 110.2 | L22 | P20-L22 PolarHBondContact O-N 3.04Š|
| 21 | F | 95.2 | Very high | 85.9 | Confident | 171 Ų | 171 | 132.7 Ų | 132.7 | 75% | 0.75 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 127.9 | 176.9 | 171.7 | -98.4 | 0 | 0 | 0 | 110.3 | I19 P23 | I19-F21 PolarHBondContact O-N 2.88Å; F21-P23 HydrophobicContact CE1-CB 4.4Å; F21-P23 HydrophobicContact CZ-CB 4.4Å |
| 22 | L | 93.1 | Very high | 84.5 | Confident | 144 Ų | 144 | 135.9 Ų | 135.9 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | trans | -119 | 136.3 | 164.5 | -65.5 | 176.1 | 0 | 0 | 0 | 108.2 | P20 | P20-L22 PolarHBondContact O-N 3.04Š| ||
| 23 | P | 90.4 | Very high | 83.4 | Confident | 92 Ų | 92 | 137.5 Ų | 137.5 | 60% | 0.597 | 71% | 0.711 | S | S | * | * | trans | -60.7 | 144.8 | 177.1 | 26.7 | -34 | 0 | 0 | 0 | 110.4 | F21 I25 | F21-P23 HydrophobicContact CE1-CB 4.4Å; F21-P23 HydrophobicContact CZ-CB 4.4Å; P23-I25 PolarHBondContact O-N 2.74Å | ||
| 24 | P | 87.5 | Confident | 82.5 | Confident | 104 Ų | 104 | 139.3 Ų | 139.3 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | trans | -54.3 | 134.8 | 175.9 | -25.9 | 34.2 | 0 | 0 | 0 | 112.1 | E26 | P24-E26 PolarHBondContact O-N 3.34Š| ||
| 25 | I | 85.8 | Confident | 82.2 | Confident | 157 Ų | 157 | 141.5 Ų | 141.5 | 81% | 0.805 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -60.6 | -35.1 | 176.3 | -64.4 | 169.4 | 0 | 0 | 0 | 110.7 | P23 R32 | P23-I25 PolarHBondContact O-N 2.74Å; I25-R32 PolarHBondContact O-NH2 3.34Å |
| 26 | E | 77.3 | Confident | 81.7 | Confident | 134 Ų | 134 | 146.3 Ų | 146.3 | 63% | 0.626 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -95.3 | 125.7 | -179.9 | -46 | -149.6 | 129.5 | 0 | 0 | 110.6 | P24 R32 | P24-E26 PolarHBondContact O-N 3.34Å; E26-R32 VanDerWaalsContact CD-NH1 3.27Å; E26-R32 IonicContact OE1-NH1 2.84Å; E26-R32 PolarHBondContact OE1-NH1 3.25Å |
| 27 | K | 71.6 | Confident | 81.4 | Confident | 145 Ų | 145 | 140.1 Ų | 140.1 | 63% | 0.63 | 73% | 0.727 | S | S | * | * | trans | -65.9 | 148.7 | 169 | -62.2 | -179.1 | -179 | -178.2 | 0 | 108.9 | H31 | K27-H31 HydrophobicContact CB-CB 3.53Å; K27-H31 HydrophobicContact CD-CB 4.27Å | ||
| 28 | H | 66.5 | Low | 81.1 | Confident | 167 Ų | 167 | 135.3 Ų | 135.3 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | trans | -42 | 152.4 | 179.3 | -64.1 | -75.1 | 0 | 0 | 0 | 113.1 | N30 H31 | H28-N30 PolarHBondContact O-N 3.07Å; H28-H31 PolarHBondContact O-N 3.28Å | ||
| 29 | A | 68.5 | Low | 80.9 | Confident | 82 Ų | 82 | 134.7 Ų | 134.7 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -44.3 | -19.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 30 | N | 68.4 | Low | 80.8 | Confident | 159 Ų | 159 | 130.5 Ų | 130.5 | 85% | 0.85 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -80.7 | -8 | 178.2 | -59.6 | -9.6 | 0 | 0 | 0 | 114.2 | H28 | H28-N30 PolarHBondContact O-N 3.07Š|
| 31 | H | 62 | Low | 80.6 | Confident | 133 Ų | 133 | 131.4 Ų | 131.4 | 62% | 0.616 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -104.8 | -0.8 | -172 | -96.6 | -75.3 | 0 | 0 | 0 | 116.3 | K27 H28 | K27-H31 HydrophobicContact CB-CB 3.53Å; K27-H31 HydrophobicContact CD-CB 4.27Å; H28-H31 PolarHBondContact O-N 3.28Å |
| 32 | R | 59.2 | Low | 80.5 | Confident | 138 Ų | 138 | 128.2 Ų | 128.2 | 52% | 0.521 | 68% | 0.676 | S | S | . | * | trans | -142.4 | 57.5 | -172.2 | -71 | -172.6 | 168.1 | 177 | 0.9 | 113.8 | I25 E26 | I25-R32 PolarHBondContact O-NH2 3.34Å; E26-R32 VanDerWaalsContact CD-NH1 3.27Å; E26-R32 IonicContact OE1-NH1 2.84Å; E26-R32 PolarHBondContact OE1-NH1 3.25Å | ||
| 33 | K | 69.8 | Low | 80.2 | Confident | 165 Ų | 165 | 127 Ų | 127 | 72% | 0.717 | 67% | 0.669 | S | S | * | * | trans | -124.7 | 126.8 | 162.7 | -62.4 | -175.5 | -176.7 | -179.2 | 0 | 107.4 | ||||
| 34 | L | 75.7 | Confident | 80.1 | Confident | 162 Ų | 162 | 126.2 Ų | 126.2 | 85% | 0.848 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 135.5 | 163.1 | -71.5 | 166.8 | 0 | 0 | 0 | 106.9 | Y36 | L34-Y36 PolarHBondContact O-N 2.7Š|
| 35 | P | 83.5 | Confident | 80.1 | Confident | 115 Ų | 115 | 128.9 Ų | 128.9 | 75% | 0.747 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 139.7 | 178.3 | 25.9 | -33 | 0 | 0 | 0 | 108.5 | T37 | P35-T37 PolarHBondContact O-N 2.73Š|
| 36 | Y | 84.5 | Confident | 80.1 | Confident | 224 Ų | 224 | 128.1 Ų | 128.1 | 88% | 0.878 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 125.9 | 169.4 | -68.3 | -67.9 | 0 | 0 | 0 | 108.2 | L34 | L34-Y36 PolarHBondContact O-N 2.7Š|
| 37 | T | 87.8 | Confident | 80.3 | Confident | 110 Ų | 110 | 127.9 Ų | 127.9 | 68% | 0.675 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 155.9 | 171.5 | -169 | 0 | 0 | 0 | 0 | 109.5 | P35 | P35-T37 PolarHBondContact O-N 2.73Š|
| 38 | G | 89.6 | Confident | 80.9 | Confident | 48 Ų | 48 | 125.7 Ų | 125.7 | 50% | 0.495 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -74.6 | 162.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A40 | G38-A40 VanDerWaalsContact C-N 3.28Š|
| 39 | V | 92.3 | Very high | 81.7 | Confident | 107 Ų | 107 | 121.9 Ų | 121.9 | 65% | 0.648 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -87 | 3.5 | 173.2 | -63.6 | 0 | 0 | 0 | 0 | 113.1 | Q41 F42 | V39-Q41 PolarHBondContact O-N 3.37Å; V39-F42 HydrophobicContact CB-CD2 4.32Å; V39-F42 PolarHBondContact O-N 3.18Å |
| 40 | A | 92.7 | Very high | 82.5 | Confident | 71 Ų | 71 | 122.4 Ų | 122.4 | 59% | 0.587 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -58.6 | -34 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G38 F42 L43 | G38-A40 VanDerWaalsContact C-N 3.28Å; A40-F42 PolarHBondContact O-N 3.24Å; A40-L43 HydrophobicContact CB-CD1 4.38Å; A40-L43 WeakPolarHBondContact O-CB 3.41Å; A40-L43 PolarHBondContact O-N 3.19Å |
| 41 | Q | 91.9 | Very high | 83.2 | Confident | 132 Ų | 132 | 121.7 Ų | 121.7 | 62% | 0.617 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -63 | -19.7 | 176.7 | 67.1 | -174.6 | -1 | 0 | 0 | 113.6 | V39 | V39-Q41 PolarHBondContact O-N 3.37Š|
| 42 | F | 91.6 | Very high | 84.3 | Confident | 104 Ų | 104 | 119.4 Ų | 119.4 | 46% | 0.456 | 65% | 0.65 | S | S | . | * | G | 310 helix | trans | -98 | 1.6 | -179.5 | -53.8 | -69.8 | 0 | 0 | 0 | 112.9 | V39 A40 G44 E45 | V39-F42 HydrophobicContact CB-CD2 4.32Å; V39-F42 PolarHBondContact O-N 3.18Å; A40-F42 PolarHBondContact O-N 3.24Å; F42-G44 PolarHBondContact O-N 3.4Å; F42-E45 WeakPolarHBondContact O-CB 3.33Å; F42-E45 PolarHBondContact O-N 3.34Å |
| 43 | L | 88.4 | Confident | 85.6 | Confident | 118 Ų | 118 | 117.3 Ų | 117.3 | 62% | 0.618 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -61.5 | -27.9 | -179.3 | -78 | 166.9 | 0 | 0 | 0 | 112.9 | A40 E45 F46 | A40-L43 HydrophobicContact CB-CD1 4.38Å; A40-L43 WeakPolarHBondContact O-CB 3.41Å; A40-L43 PolarHBondContact O-N 3.19Å; L43-E45 VanDerWaalsContact C-N 3.32Å; L43-F46 HydrophobicContact CD2-CD2 4.13Å; L43-F46 HydrophobicContact CD2-CE2 3.9Å |
| 44 | G | 87.8 | Confident | 86.4 | Confident | 76 Ų | 76 | 113.5 Ų | 113.5 | 78% | 0.784 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -79.6 | -9.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | F42 | F42-G44 PolarHBondContact O-N 3.4Š|
| 45 | E | 87.3 | Confident | 86.9 | Confident | 159 Ų | 159 | 111.7 Ų | 111.7 | 74% | 0.743 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -94.9 | -5.3 | -179.9 | -58.7 | -67.8 | 160.8 | 0 | 0 | 112.3 | F42 L43 E47 | F42-E45 WeakPolarHBondContact O-CB 3.33Å; F42-E45 PolarHBondContact O-N 3.34Å; L43-E45 VanDerWaalsContact C-N 3.32Å; E45-E47 PolarHBondContact O-N 3.31Å |
| 46 | F | 84.8 | Confident | 87.1 | Confident | 141 Ų | 141 | 112.5 Ų | 112.5 | 62% | 0.618 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -72.3 | 128.8 | 175.5 | -70.3 | -64.3 | 0 | 0 | 0 | 109.9 | L43 | L43-F46 HydrophobicContact CD2-CD2 4.13Å; L43-F46 HydrophobicContact CD2-CE2 3.9Å |
| 47 | E | 82.1 | Confident | 87.3 | Confident | 130 Ų | 130 | 111.5 Ų | 111.5 | 61% | 0.607 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 144.2 | 171.1 | -66.3 | 177.5 | 177.4 | 0 | 0 | 110 | E45 A49 | E45-E47 PolarHBondContact O-N 3.31Å; E47-A49 PolarHBondContact O-N 2.92Å |
| 48 | D | 84 | Confident | 87.3 | Confident | 98 Ų | 98 | 113.1 Ų | 113.1 | 52% | 0.524 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 140.6 | 170.8 | -172.1 | 2.3 | 0 | 0 | 0 | 108.7 | S50 E51 T52 | D48-S50 PolarHBondContact O-N 3.44Å; D48-S50 PolarHBondContact OD1-N 3.27Å; D48-S50 PolarHBondContact OD2-OG 3.03Å; D48-E51 HydrophobicContact CB-CG 4.34Å; D48-E51 PolarHBondContact O-N 3.38Å; D48-T52 PolarHBondContact O-N 2.96Å; D48-T52 VanDerWaalsContact O-N 3.16Å; D48-T52 PolarHBondContact O-OG1 3.48Å |
| 49 | A | 83.3 | Confident | 87.3 | Confident | 87 Ų | 87 | 115.1 Ų | 115.1 | 72% | 0.719 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -22.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | E47 | E47-A49 PolarHBondContact O-N 2.92Š|
| 50 | S | 85 | Confident | 87.4 | Confident | 94 Ų | 94 | 113.4 Ų | 113.4 | 66% | 0.657 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -26.9 | 173.5 | 74.3 | 0 | 0 | 0 | 0 | 113.8 | D48 | D48-S50 PolarHBondContact O-N 3.44Å; D48-S50 PolarHBondContact OD1-N 3.27Å; D48-S50 PolarHBondContact OD2-OG 3.03Å |
| 51 | E | 84.5 | Confident | 87.5 | Confident | 144 Ų | 144 | 120.9 Ų | 120.9 | 67% | 0.673 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -12 | -178.4 | -64.1 | -171.8 | 165.7 | 0 | 0 | 113.1 | D48 P53 | D48-E51 HydrophobicContact CB-CG 4.34Å; D48-E51 PolarHBondContact O-N 3.38Å; E51-P53 WeakPolarHBondContact O-CD 3.47Å; E51-P53 VanDerWaalsContact O-N 3.12Å |
| 52 | T | 84.8 | Confident | 87.6 | Confident | 84 Ų | 84 | 122.2 Ų | 122.2 | 52% | 0.515 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 117.3 | -179.3 | -56.5 | 0 | 0 | 0 | 0 | 110.1 | D48 | D48-T52 PolarHBondContact O-N 2.96Å; D48-T52 VanDerWaalsContact O-N 3.16Å; D48-T52 PolarHBondContact O-OG1 3.48Å |
| 53 | P | 85.9 | Confident | 87.7 | Confident | 94 Ų | 94 | 120.2 Ų | 120.2 | 61% | 0.61 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -66 | 147.8 | 179.4 | 27.3 | -33.9 | 0 | 0 | 0 | 110.1 | E51 | E51-P53 WeakPolarHBondContact O-CD 3.47Å; E51-P53 VanDerWaalsContact O-N 3.12Å |
| 54 | A | 86.4 | Confident | 88 | Confident | 86 Ų | 86 | 121.1 Ų | 121.1 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 141.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V56 | A54-V56 PolarHBondContact O-N 3.13Š|
| 55 | P | 86.9 | Confident | 88.5 | Confident | 123 Ų | 123 | 125.3 Ų | 125.3 | 80% | 0.799 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -57 | 135 | -178.5 | 22.7 | -33.1 | 0 | 0 | 0 | 110.5 | R57 | P55-R57 PolarHBondContact O-N 3.02Š|
| 56 | V | 88.3 | Confident | 88.9 | Confident | 133 Ų | 133 | 123 Ų | 123 | 81% | 0.806 | 63% | 0.63 | S | S | * | * | trans | -59.7 | 115.8 | -178.9 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | A54 I58 | A54-V56 PolarHBondContact O-N 3.13Å; V56-I58 PolarHBondContact O-N 2.8Å | ||
| 57 | R | 87.8 | Confident | 89.4 | Confident | 202 Ų | 202 | 120.4 Ų | 120.4 | 76% | 0.762 | 62% | 0.617 | S | S | * | * | trans | -66.2 | 106.2 | 175.7 | -177.4 | -178.2 | 175.7 | 136.9 | -3.8 | 109.3 | P55 E63 | P55-R57 PolarHBondContact O-N 3.02Å; R57-E63 IonicContact CZ-OE1 3.63Å; R57-E63 IonicContact NE-OE1 3.75Å; R57-E63 IonicContact NH2-OE1 2.7Å; R57-E63 PolarHBondContact NH2-OE1 3.23Å | ||
| 58 | I | 88.9 | Confident | 90.1 | Very high | 144 Ų | 144 | 119.9 Ų | 119.9 | 74% | 0.738 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -81 | 139.8 | 170.9 | -57.9 | 171.6 | 0 | 0 | 0 | 108.5 | V56 T60 | V56-I58 PolarHBondContact O-N 2.8Å; I58-T60 PolarHBondContact O-N 2.83Å |
| 59 | E | 89 | Confident | 90.7 | Very high | 90 Ų | 90 | 122.8 Ų | 122.8 | 42% | 0.421 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 128.5 | 174.1 | -66.7 | -178.9 | 170.6 | 0 | 0 | 110.7 | E63 R67 | E59-E63 WeakPolarHBondContact CA-OE2 3.37Å; E59-E63 HydrophobicContact CB-CB 4.35Å; E59-R67 IonicContact OE1-CZ 3.62Å; E59-R67 IonicContact OE1-NE 3.18Å; E59-R67 PolarHBondContact OE1-NE 2.86Å; E59-R67 IonicContact OE1-NH2 3.37Å; E59-R67 IonicContact OE2-CZ 3.98Å; E59-R67 IonicContact OE2-NE 3.1Å; E59-R67 PolarHBondContact OE2-NE 3.03Å; E59-R67 VanDerWaalsContact OE2-NE 3.1Å; E59-R67 IonicContact OE2-NH2 3.57Å; E59-R67 PolarHBondContact OE2-NH2 3.38Å |
| 60 | T | 94.5 | Very high | 91.4 | Very high | 71 Ų | 71 | 125.4 Ų | 125.4 | 44% | 0.436 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 160.8 | 168.7 | 66.1 | 0 | 0 | 0 | 0 | 110.1 | I58 E62 E63 R64 | I58-T60 PolarHBondContact O-N 2.83Å; T60-E62 PolarHBondContact O-N 3.07Å; T60-E63 PolarHBondContact N-OE2 3.04Å; T60-E63 PolarHBondContact O-N 3.27Å; T60-E63 VanDerWaalsContact OG1-CG 3.29Å; T60-E63 WeakPolarHBondContact OG1-CG 3.26Å; T60-E63 PolarHBondContact OG1-N 3.33Å; T60-E63 PolarHBondContact OG1-OE2 3.14Å; T60-R64 PolarHBondContact O-N 2.76Å |
| 61 | R | 93.6 | Very high | 92 | Very high | 229 Ų | 229 | 124.2 Ų | 124.2 | 86% | 0.864 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -56.8 | -32.8 | 175.7 | -178.7 | 178.8 | 168.7 | -174.8 | -3.3 | 112.3 | K65 | R61-K65 WeakPolarHBondContact O-CB 3.3Å; R61-K65 PolarHBondContact O-N 3.35Å; R61-K65 VanDerWaalsContact O-N 3.11Å |
| 62 | E | 94.4 | Very high | 92.6 | Very high | 159 Ų | 159 | 124.9 Ų | 124.9 | 74% | 0.743 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.3 | -48.8 | 178.9 | -62.5 | -170.9 | 156.3 | 0 | 0 | 111.5 | T60 R64 K65 E66 | T60-E62 PolarHBondContact O-N 3.07Å; E62-R64 VanDerWaalsContact C-N 3.3Å; E62-R64 PolarHBondContact O-N 3.24Å; E62-K65 WeakPolarHBondContact O-CB 3.48Å; E62-K65 PolarHBondContact O-N 3.16Å; E62-E66 PolarHBondContact O-N 3.11Å |
| 63 | E | 95.1 | Very high | 93.2 | Very high | 62 Ų | 62 | 126.3 Ų | 126.3 | 29% | 0.29 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -57.8 | -43.3 | 174.9 | -71.3 | 168.5 | 154.1 | 0 | 0 | 111.2 | R57 E59 T60 K65 E66 R67 | R57-E63 IonicContact CZ-OE1 3.63Å; R57-E63 IonicContact NE-OE1 3.75Å; R57-E63 IonicContact NH2-OE1 2.7Å; R57-E63 PolarHBondContact NH2-OE1 3.23Å; E59-E63 WeakPolarHBondContact CA-OE2 3.37Å; E59-E63 HydrophobicContact CB-CB 4.35Å; T60-E63 PolarHBondContact N-OE2 3.04Å; T60-E63 PolarHBondContact O-N 3.27Å; T60-E63 VanDerWaalsContact OG1-CG 3.29Å; T60-E63 WeakPolarHBondContact OG1-CG 3.26Å; T60-E63 PolarHBondContact OG1-N 3.33Å; T60-E63 PolarHBondContact OG1-OE2 3.14Å; E63-K65 VanDerWaalsContact C-N 3.33Å; E63-K65 PolarHBondContact O-N 3.13Å; E63-E66 PolarHBondContact O-N 3.39Å; E63-R67 WeakPolarHBondContact O-CB 3.28Å; E63-R67 PolarHBondContact O-N 3.38Å |
| 64 | R | 94.7 | Very high | 93.7 | Very high | 137 Ų | 137 | 126.8 Ų | 126.8 | 52% | 0.517 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.3 | -37.2 | 176.1 | -170.3 | 177.5 | -175.6 | -173.5 | 2.2 | 112.6 | T60 E62 K68 | T60-R64 PolarHBondContact O-N 2.76Å; E62-R64 VanDerWaalsContact C-N 3.3Å; E62-R64 PolarHBondContact O-N 3.24Å; R64-K68 WeakPolarHBondContact O-CG 3.35Å; R64-K68 PolarHBondContact O-N 2.96Å |
| 65 | K | 96.4 | Very high | 94.3 | Very high | 165 Ų | 165 | 129.1 Ų | 129.1 | 72% | 0.717 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.7 | -41.8 | 177 | -175.8 | -176.6 | 177.2 | -172.8 | 0 | 110.7 | R61 E62 E63 R69 | R61-K65 WeakPolarHBondContact O-CB 3.3Å; R61-K65 PolarHBondContact O-N 3.35Å; R61-K65 VanDerWaalsContact O-N 3.11Å; E62-K65 WeakPolarHBondContact O-CB 3.48Å; E62-K65 PolarHBondContact O-N 3.16Å; E63-K65 VanDerWaalsContact C-N 3.33Å; E63-K65 PolarHBondContact O-N 3.13Å; K65-R69 PolarHBondContact O-N 3.03Å |
| 66 | E | 96.2 | Very high | 94.8 | Very high | 109 Ų | 109 | 126 Ų | 126 | 51% | 0.509 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.1 | -44.6 | 177.4 | 178.7 | 150.9 | -131.7 | 0 | 0 | 112.2 | E62 E63 K68 R69 R70 | E62-E66 PolarHBondContact O-N 3.11Å; E63-E66 PolarHBondContact O-N 3.39Å; E66-K68 PolarHBondContact O-N 3.32Å; E66-R69 WeakPolarHBondContact O-CB 3.41Å; E66-R69 PolarHBondContact O-N 3.48Å; E66-R69 VanDerWaalsContact O-N 3.08Å; E66-R69 IonicContact OE1-NH2 2.9Å; E66-R69 PolarHBondContact OE1-NH2 3.32Å; E66-R70 PolarHBondContact O-N 3.2Å |
| 67 | R | 95.8 | Very high | 95.2 | Very high | 88 Ų | 88 | 123.5 Ų | 123.5 | 33% | 0.332 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -53.6 | -51.8 | 173.7 | 176.8 | 168.1 | 62.5 | 115.1 | -14.4 | 111.7 | E59 E63 R69 R70 E71 | E59-R67 IonicContact OE1-CZ 3.62Å; E59-R67 IonicContact OE1-NE 3.18Å; E59-R67 PolarHBondContact OE1-NE 2.86Å; E59-R67 IonicContact OE1-NH2 3.37Å; E59-R67 IonicContact OE2-CZ 3.98Å; E59-R67 IonicContact OE2-NE 3.1Å; E59-R67 PolarHBondContact OE2-NE 3.03Å; E59-R67 VanDerWaalsContact OE2-NE 3.1Å; E59-R67 IonicContact OE2-NH2 3.57Å; E59-R67 PolarHBondContact OE2-NH2 3.38Å; E63-R67 WeakPolarHBondContact O-CB 3.28Å; E63-R67 PolarHBondContact O-N 3.38Å; R67-R69 VanDerWaalsContact C-N 3.29Å; R67-R69 PolarHBondContact O-N 3.26Å; R67-R70 PolarHBondContact O-N 2.78Å; R67-R70 VanDerWaalsContact O-N 3.17Å; R67-E71 WeakPolarHBondContact CD-OE1 3.33Å; R67-E71 HydrophobicContact CG-CG 4.31Å; R67-E71 WeakPolarHBondContact CG-OE1 3.5Å; R67-E71 IonicContact NH1-OE1 3.67Å; R67-E71 WeakPolarHBondContact O-CB 3.38Å; R67-E71 WeakPolarHBondContact O-CG 3.39Å; R67-E71 PolarHBondContact O-N 3.48Å |
| 68 | K | 97.3 | Very high | 95.6 | Very high | 118 Ų | 118 | 120.8 Ų | 120.8 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.2 | -36.1 | 177.1 | -74.3 | -177 | 175.4 | -170.9 | 0 | 113 | R64 E66 K72 | R64-K68 WeakPolarHBondContact O-CG 3.35Å; R64-K68 PolarHBondContact O-N 2.96Å; E66-K68 PolarHBondContact O-N 3.32Å; K68-K72 VanDerWaalsContact O-CB 3.28Å; K68-K72 WeakPolarHBondContact O-CB 3.5Å; K68-K72 PolarHBondContact O-N 3.31Å |
| 69 | R | 97 | Very high | 96 | Very high | 159 Ų | 159 | 120 Ų | 120 | 60% | 0.6 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66 | -45.7 | 175.8 | -179 | -178.5 | 67.1 | 174 | -2.4 | 110.8 | K65 E66 R67 K72 Q73 | K65-R69 PolarHBondContact O-N 3.03Å; E66-R69 WeakPolarHBondContact O-CB 3.41Å; E66-R69 PolarHBondContact O-N 3.48Å; E66-R69 VanDerWaalsContact O-N 3.08Å; E66-R69 IonicContact OE1-NH2 2.9Å; E66-R69 PolarHBondContact OE1-NH2 3.32Å; R67-R69 VanDerWaalsContact C-N 3.29Å; R67-R69 PolarHBondContact O-N 3.26Å; R69-K72 PolarHBondContact O-N 2.83Å; R69-Q73 WeakPolarHBondContact O-CB 3.5Å; R69-Q73 PolarHBondContact O-N 3.05Å |
| 70 | R | 97 | Very high | 96.3 | Very high | 142 Ų | 142 | 121.1 Ų | 121.1 | 54% | 0.536 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.4 | -49.1 | 179 | -170.4 | 178.8 | 69.1 | -153.4 | -1 | 111.4 | E66 R67 K72 Q73 E74 | E66-R70 PolarHBondContact O-N 3.2Å; R67-R70 PolarHBondContact O-N 2.78Å; R67-R70 VanDerWaalsContact O-N 3.17Å; R70-K72 VanDerWaalsContact C-N 3.3Å; R70-K72 PolarHBondContact O-N 3.18Å; R70-Q73 WeakPolarHBondContact O-CB 3.42Å; R70-Q73 PolarHBondContact O-N 3.11Å; R70-E74 HydrophobicContact CG-CG 4.42Å; R70-E74 WeakPolarHBondContact CG-OE1 3.46Å; R70-E74 IonicContact NE-OE1 2.8Å; R70-E74 WeakPolarHBondContact O-CG 3.28Å; R70-E74 PolarHBondContact O-N 2.93Å |
| 71 | E | 97.2 | Very high | 96.4 | Very high | 69 Ų | 69 | 124 Ų | 124 | 32% | 0.322 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -56.2 | -43.7 | 175.5 | -71.7 | 169.4 | -178.7 | 0 | 0 | 111.5 | R67 Q73 E74 Q75 | R67-E71 WeakPolarHBondContact CD-OE1 3.33Å; R67-E71 HydrophobicContact CG-CG 4.31Å; R67-E71 WeakPolarHBondContact CG-OE1 3.5Å; R67-E71 IonicContact NH1-OE1 3.67Å; R67-E71 WeakPolarHBondContact O-CB 3.38Å; R67-E71 WeakPolarHBondContact O-CG 3.39Å; R67-E71 PolarHBondContact O-N 3.48Å; E71-Q73 PolarHBondContact O-N 3.14Å; E71-E74 PolarHBondContact O-N 2.85Å; E71-Q75 WeakPolarHBondContact O-CB 3.31Å; E71-Q75 VanDerWaalsContact O-CG 3.23Å; E71-Q75 WeakPolarHBondContact O-CG 3.3Å; E71-Q75 PolarHBondContact O-N 3.3Å |
| 72 | K | 97.7 | Very high | 96.5 | Very high | 158 Ų | 158 | 117.4 Ų | 117.4 | 69% | 0.687 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.8 | -37.9 | 176.6 | -175 | 176.6 | -179.2 | 179.8 | 0 | 112.4 | K68 R69 R70 A76 | K68-K72 VanDerWaalsContact O-CB 3.28Å; K68-K72 WeakPolarHBondContact O-CB 3.5Å; K68-K72 PolarHBondContact O-N 3.31Å; R69-K72 PolarHBondContact O-N 2.83Å; R70-K72 VanDerWaalsContact C-N 3.3Å; R70-K72 PolarHBondContact O-N 3.18Å; K72-A76 WeakPolarHBondContact O-CB 3.19Å; K72-A76 PolarHBondContact O-N 2.95Å |
| 73 | Q | 97.2 | Very high | 96.6 | Very high | 114 Ų | 114 | 113.8 Ų | 113.8 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.7 | -44.1 | 177.5 | -174.8 | 174.9 | 6.8 | 0 | 0 | 111.3 | R69 R70 E71 Q75 A76 N77 | R69-Q73 WeakPolarHBondContact O-CB 3.5Å; R69-Q73 PolarHBondContact O-N 3.05Å; R70-Q73 WeakPolarHBondContact O-CB 3.42Å; R70-Q73 PolarHBondContact O-N 3.11Å; E71-Q73 PolarHBondContact O-N 3.14Å; Q73-Q75 PolarHBondContact O-N 2.97Å; Q73-A76 PolarHBondContact O-N 2.9Å; Q73-N77 WeakPolarHBondContact O-CB 3.36Å; Q73-N77 VanDerWaalsContact O-CG 3.26Å; Q73-N77 PolarHBondContact O-N 3.4Å; Q73-N77 PolarHBondContact O-OD1 3.32Å |
| 74 | E | 97.2 | Very high | 96.5 | Very high | 104 Ų | 104 | 116.3 Ų | 116.3 | 49% | 0.486 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 174.7 | -72.8 | 169.1 | -174.8 | 0 | 0 | 111.2 | R70 E71 A76 N77 Y78 | R70-E74 HydrophobicContact CG-CG 4.42Å; R70-E74 WeakPolarHBondContact CG-OE1 3.46Å; R70-E74 IonicContact NE-OE1 2.8Å; R70-E74 WeakPolarHBondContact O-CG 3.28Å; R70-E74 PolarHBondContact O-N 2.93Å; E71-E74 PolarHBondContact O-N 2.85Å; E74-A76 PolarHBondContact O-N 3.38Å; E74-N77 PolarHBondContact O-N 3.11Å; E74-Y78 WeakPolarHBondContact O-CB 3.27Å; E74-Y78 PolarHBondContact O-N 3.07Å |
| 75 | Q | 97.5 | Very high | 96.5 | Very high | 136 Ų | 136 | 114.1 Ų | 114.1 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.1 | -40.8 | 174.4 | -73.7 | 173.1 | 8.2 | 0 | 0 | 112.7 | E71 Q73 K79 | E71-Q75 WeakPolarHBondContact O-CB 3.31Å; E71-Q75 VanDerWaalsContact O-CG 3.23Å; E71-Q75 WeakPolarHBondContact O-CG 3.3Å; E71-Q75 PolarHBondContact O-N 3.3Å; Q73-Q75 PolarHBondContact O-N 2.97Å; Q75-K79 WeakPolarHBondContact O-CB 3.17Å; Q75-K79 PolarHBondContact O-N 3.48Å |
| 76 | A | 97.3 | Very high | 96.3 | Very high | 57 Ų | 57 | 113.2 Ų | 113.2 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K72 Q73 E74 K79 L80 | K72-A76 WeakPolarHBondContact O-CB 3.19Å; K72-A76 PolarHBondContact O-N 2.95Å; Q73-A76 PolarHBondContact O-N 2.9Å; E74-A76 PolarHBondContact O-N 3.38Å; A76-K79 PolarHBondContact O-N 3.39Å; A76-L80 WeakPolarHBondContact O-CB 3.42Å; A76-L80 PolarHBondContact O-N 2.87Å |
| 77 | N | 97 | Very high | 96.1 | Very high | 80 Ų | 80 | 116.6 Ų | 116.6 | 43% | 0.428 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.7 | -46.3 | 176 | -70.9 | -4.5 | 0 | 0 | 0 | 111.3 | Q73 E74 K79 L80 E81 | Q73-N77 WeakPolarHBondContact O-CB 3.36Å; Q73-N77 VanDerWaalsContact O-CG 3.26Å; Q73-N77 PolarHBondContact O-N 3.4Å; Q73-N77 PolarHBondContact O-OD1 3.32Å; E74-N77 PolarHBondContact O-N 3.11Å; N77-K79 VanDerWaalsContact C-N 3.3Å; N77-K79 PolarHBondContact O-N 2.89Å; N77-L80 WeakPolarHBondContact O-CB 3.37Å; N77-L80 PolarHBondContact O-N 3.31Å; N77-L80 VanDerWaalsContact O-N 3.08Å; N77-E81 WeakPolarHBondContact O-CG 3.34Å; N77-E81 PolarHBondContact O-N 2.87Å |
| 78 | Y | 96.8 | Very high | 96 | Very high | 146 Ų | 146 | 115.8 Ų | 115.8 | 57% | 0.573 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58.1 | -43.2 | 176.5 | -179.8 | -106.8 | 0 | 0 | 0 | 111.9 | E74 E81 Q82 | E74-Y78 WeakPolarHBondContact O-CB 3.27Å; E74-Y78 PolarHBondContact O-N 3.07Å; Y78-E81 PolarHBondContact O-N 3.36Å; Y78-Q82 HydrophobicContact CE1-CG 4.36Å; Y78-Q82 WeakPolarHBondContact O-CG 3.26Å; Y78-Q82 PolarHBondContact O-N 3.17Å; Y78-Q82 VanDerWaalsContact O-N 3.07Å; Y78-Q82 PolarHBondContact OH-NE2 3.41Å |
| 79 | K | 97 | Very high | 95.6 | Very high | 128 Ų | 128 | 113 Ų | 113 | 56% | 0.557 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.3 | -43.6 | 174.1 | -175.5 | -176.5 | 175.1 | -173.6 | 0 | 111.9 | Q75 A76 N77 E81 Q82 D83 | Q75-K79 WeakPolarHBondContact O-CB 3.17Å; Q75-K79 PolarHBondContact O-N 3.48Å; A76-K79 PolarHBondContact O-N 3.39Å; N77-K79 VanDerWaalsContact C-N 3.3Å; N77-K79 PolarHBondContact O-N 2.89Å; K79-E81 VanDerWaalsContact C-N 3.33Å; K79-E81 PolarHBondContact O-N 3.41Å; K79-Q82 PolarHBondContact O-N 3.26Å; K79-D83 WeakPolarHBondContact O-CB 3.35Å; K79-D83 PolarHBondContact O-N 2.95Å |
| 80 | L | 96 | Very high | 95.2 | Very high | 113 Ų | 113 | 115 Ų | 115 | 59% | 0.592 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.8 | -41.6 | 178.1 | 179.3 | 64.2 | 0 | 0 | 0 | 111.7 | A76 N77 D83 L84 | A76-L80 WeakPolarHBondContact O-CB 3.42Å; A76-L80 PolarHBondContact O-N 2.87Å; N77-L80 WeakPolarHBondContact O-CB 3.37Å; N77-L80 PolarHBondContact O-N 3.31Å; N77-L80 VanDerWaalsContact O-N 3.08Å; L80-D83 PolarHBondContact O-N 2.94Å; L80-L84 VanDerWaalsContact O-CB 3.28Å; L80-L84 WeakPolarHBondContact O-CB 3.25Å; L80-L84 PolarHBondContact O-N 3.36Å |
| 81 | E | 96.2 | Very high | 94.8 | Very high | 132 Ų | 132 | 116.5 Ų | 116.5 | 62% | 0.617 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.4 | -43.3 | 176.1 | -73.4 | 175.6 | -177.9 | 0 | 0 | 111.9 | N77 Y78 K79 L84 A85 | N77-E81 WeakPolarHBondContact O-CG 3.34Å; N77-E81 PolarHBondContact O-N 2.87Å; Y78-E81 PolarHBondContact O-N 3.36Å; K79-E81 VanDerWaalsContact C-N 3.33Å; K79-E81 PolarHBondContact O-N 3.41Å; E81-L84 PolarHBondContact O-N 2.81Å; E81-A85 WeakPolarHBondContact O-CB 3.43Å; E81-A85 PolarHBondContact O-N 3Å |
| 82 | Q | 96.4 | Very high | 94.5 | Very high | 90 Ų | 90 | 117 Ų | 117 | 42% | 0.421 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.1 | -47.6 | 173.9 | -71.6 | -173.3 | -10.3 | 0 | 0 | 112.3 | Y78 K79 L84 A85 L86 | Y78-Q82 HydrophobicContact CE1-CG 4.36Å; Y78-Q82 WeakPolarHBondContact O-CG 3.26Å; Y78-Q82 PolarHBondContact O-N 3.17Å; Y78-Q82 VanDerWaalsContact O-N 3.07Å; Y78-Q82 PolarHBondContact OH-NE2 3.41Å; K79-Q82 PolarHBondContact O-N 3.26Å; Q82-L84 VanDerWaalsContact C-N 3.28Å; Q82-L84 PolarHBondContact O-N 2.89Å; Q82-A85 PolarHBondContact O-N 3.08Å; Q82-L86 WeakPolarHBondContact O-CG 3.28Å; Q82-L86 PolarHBondContact O-N 3.48Å; Q82-L86 VanDerWaalsContact O-N 3.13Å |
| 83 | D | 95 | Very high | 94.1 | Very high | 83 Ų | 83 | 115.5 Ų | 115.5 | 44% | 0.444 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.8 | -38.7 | 179.1 | -74.5 | -20.3 | 0 | 0 | 0 | 110.6 | K79 L80 L86 W87 | K79-D83 WeakPolarHBondContact O-CB 3.35Å; K79-D83 PolarHBondContact O-N 2.95Å; L80-D83 PolarHBondContact O-N 2.94Å; D83-L86 PolarHBondContact O-N 3.37Å; D83-W87 WeakPolarHBondContact O-CB 3.45Å; D83-W87 PolarHBondContact O-N 2.85Å |
| 84 | L | 94.7 | Very high | 93.7 | Very high | 115 Ų | 115 | 116.6 Ų | 116.6 | 60% | 0.602 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.7 | -40 | 176.5 | -172.3 | 66.9 | 0 | 0 | 0 | 112.1 | L80 E81 Q82 L86 W87 | L80-L84 VanDerWaalsContact O-CB 3.28Å; L80-L84 WeakPolarHBondContact O-CB 3.25Å; L80-L84 PolarHBondContact O-N 3.36Å; E81-L84 PolarHBondContact O-N 2.81Å; Q82-L84 VanDerWaalsContact C-N 3.28Å; Q82-L84 PolarHBondContact O-N 2.89Å; L84-L86 VanDerWaalsContact C-N 3.25Å; L84-L86 PolarHBondContact O-N 3.02Å; L84-W87 HydrophobicContact CD1-CE3 4.37Å; L84-W87 PolarHBondContact O-N 2.86Å; L84-W87 VanDerWaalsContact O-N 3.14Å |
| 85 | A | 94.1 | Very high | 93.3 | Very high | 90 Ų | 90 | 114 Ų | 114 | 74% | 0.744 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.3 | -32.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E81 Q82 | E81-A85 WeakPolarHBondContact O-CB 3.43Å; E81-A85 PolarHBondContact O-N 3Å; Q82-A85 PolarHBondContact O-N 3.08Å |
| 86 | L | 92.4 | Very high | 92.8 | Very high | 146 Ų | 146 | 108.9 Ų | 108.9 | 76% | 0.764 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -84 | -15.6 | 175.7 | -66.9 | 171.7 | 0 | 0 | 0 | 113.2 | Q82 D83 L84 N88 | Q82-L86 WeakPolarHBondContact O-CG 3.28Å; Q82-L86 PolarHBondContact O-N 3.48Å; Q82-L86 VanDerWaalsContact O-N 3.13Å; D83-L86 PolarHBondContact O-N 3.37Å; L84-L86 VanDerWaalsContact C-N 3.25Å; L84-L86 PolarHBondContact O-N 3.02Å; L86-N88 PolarHBondContact O-N 3.05Å |
| 87 | W | 92.3 | Very high | 92.3 | Very high | 180 Ų | 180 | 110.8 Ų | 110.8 | 68% | 0.682 | 57% | 0.568 | S | S | * | * | trans | -78.9 | 106.7 | -173.9 | -174.4 | 73.3 | 0 | 0 | 0 | 111.9 | D83 L84 P89 | D83-W87 WeakPolarHBondContact O-CB 3.45Å; D83-W87 PolarHBondContact O-N 2.85Å; L84-W87 HydrophobicContact CD1-CE3 4.37Å; L84-W87 PolarHBondContact O-N 2.86Å; L84-W87 VanDerWaalsContact O-N 3.14Å; W87-P89 HydrophobicContact CH2-CG 3.98Å; W87-P89 HydrophobicContact CZ2-CB 4.19Å; W87-P89 HydrophobicContact CZ2-CG 4.07Å; W87-P89 HydrophobicContact CZ3-CG 4.3Å | ||
| 88 | N | 92.1 | Very high | 92 | Very high | 71 Ų | 71 | 109.5 Ų | 109.5 | 38% | 0.38 | 56% | 0.561 | S | S | . | * | trans | -128.2 | 100.8 | 173 | -171.7 | -22 | 0 | 0 | 0 | 111 | L86 K90 K91 | L86-N88 PolarHBondContact O-N 3.05Å; N88-K90 VanDerWaalsContact C-N 3.26Å; N88-K90 PolarHBondContact O-N 3.22Å; N88-K90 WeakPolarHBondContact OD1-CB 3.47Å; N88-K90 PolarHBondContact OD1-N 3.44Å; N88-K90 VanDerWaalsContact OD1-N 3.07Å; N88-K91 HydrophobicContact CB-CB 4.49Å; N88-K91 HydrophobicContact CB-CD 4.5Å; N88-K91 HydrophobicContact CB-CG 4.46Å; N88-K91 PolarHBondContact O-N 3.07Å | ||
| 89 | P | 89.7 | Confident | 91.8 | Very high | 61 Ų | 61 | 107 Ų | 107 | 40% | 0.396 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -65.4 | -26.6 | -177.9 | 25.1 | -33.6 | 0 | 0 | 0 | 113.3 | W87 K91 N92 | W87-P89 HydrophobicContact CH2-CG 3.98Å; W87-P89 HydrophobicContact CZ2-CB 4.19Å; W87-P89 HydrophobicContact CZ2-CG 4.07Å; W87-P89 HydrophobicContact CZ3-CG 4.3Å; P89-K91 VanDerWaalsContact C-N 3.25Å; P89-K91 PolarHBondContact O-N 3.17Å; P89-N92 VanDerWaalsContact O-CB 3.28Å; P89-N92 WeakPolarHBondContact O-CB 3.27Å; P89-N92 PolarHBondContact O-N 3.31Å; P89-N92 VanDerWaalsContact O-N 3.15Å |
| 90 | K | 88.4 | Confident | 91.6 | Very high | 199 Ų | 199 | 108.3 Ų | 108.3 | 87% | 0.865 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -69.3 | -23.3 | 179.7 | -61.6 | -175.1 | 178.1 | -177.4 | 0 | 113.1 | N88 | N88-K90 VanDerWaalsContact C-N 3.26Å; N88-K90 PolarHBondContact O-N 3.22Å; N88-K90 WeakPolarHBondContact OD1-CB 3.47Å; N88-K90 PolarHBondContact OD1-N 3.44Å; N88-K90 VanDerWaalsContact OD1-N 3.07Å |
| 91 | K | 89.3 | Confident | 91.4 | Very high | 174 Ų | 174 | 103.9 Ų | 103.9 | 76% | 0.757 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -89.3 | -1.9 | 176 | -68.2 | -173.3 | 177.7 | -176.2 | 0 | 112.8 | N88 P89 P93 | N88-K91 HydrophobicContact CB-CB 4.49Å; N88-K91 HydrophobicContact CB-CD 4.5Å; N88-K91 HydrophobicContact CB-CG 4.46Å; N88-K91 PolarHBondContact O-N 3.07Å; P89-K91 VanDerWaalsContact C-N 3.25Å; P89-K91 PolarHBondContact O-N 3.17Å; K91-P93 WeakPolarHBondContact O-CD 3.35Å |
| 92 | N | 89.8 | Confident | 91.4 | Very high | 81 Ų | 81 | 98.3 Ų | 98.3 | 43% | 0.433 | 52% | 0.517 | S | S | . | . | trans | -78.3 | 115.9 | -177.9 | -179.7 | 6.6 | 0 | 0 | 0 | 110.4 | P89 K94 A95 | P89-N92 VanDerWaalsContact O-CB 3.28Å; P89-N92 WeakPolarHBondContact O-CB 3.27Å; P89-N92 PolarHBondContact O-N 3.31Å; P89-N92 VanDerWaalsContact O-N 3.15Å; N92-K94 PolarHBondContact O-N 3.02Å; N92-K94 VanDerWaalsContact O-N 3.13Å; N92-K94 PolarHBondContact OD1-N 3.45Å; N92-A95 HydrophobicContact CB-CB 4.21Å; N92-A95 WeakPolarHBondContact O-CB 3.3Å; N92-A95 PolarHBondContact O-N 3.2Å; N92-A95 VanDerWaalsContact O-N 3.09Å | ||
| 93 | P | 89.2 | Confident | 91.2 | Very high | 125 Ų | 125 | 94.5 Ų | 94.5 | 81% | 0.812 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -14.1 | -179.9 | 28.8 | -36.3 | 0 | 0 | 0 | 113.6 | K91 | K91-P93 WeakPolarHBondContact O-CD 3.35Š|
| 94 | K | 88.7 | Confident | 91.2 | Very high | 138 Ų | 138 | 95.5 Ų | 95.5 | 60% | 0.6 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -1.2 | 176.9 | -60 | -176.7 | 179.7 | 179.6 | 0 | 113.1 | N92 | N92-K94 PolarHBondContact O-N 3.02Å; N92-K94 VanDerWaalsContact O-N 3.13Å; N92-K94 PolarHBondContact OD1-N 3.45Å |
| 95 | A | 89.8 | Confident | 91.2 | Very high | 49 Ų | 49 | 91.5 Ų | 91.5 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -72 | 151.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | N92 | N92-A95 HydrophobicContact CB-CB 4.21Å; N92-A95 WeakPolarHBondContact O-CB 3.3Å; N92-A95 PolarHBondContact O-N 3.2Å; N92-A95 VanDerWaalsContact O-N 3.09Å |
| 96 | T | 86.3 | Confident | 91.3 | Very high | 28 Ų | 28 | 89.4 Ų | 89.4 | 17% | 0.172 | 46% | 0.463 | C | S | . | . | trans | -71 | 162.4 | 170.6 | 48.8 | 0 | 0 | 0 | 0 | 110.7 | T102 V131 F146 E148 | T96-T102 VanDerWaalsContact CB-OG1 3.26Å; T96-T102 WeakPolarHBondContact CB-OG1 3.1Å; T96-T102 HydrophobicContact CG2-CG2 3.91Å; T96-T102 VanDerWaalsContact OG1-CG2 3.28Å; T96-T102 WeakPolarHBondContact OG1-CG2 3.45Å; T96-T102 PolarHBondContact OG1-OG1 3.02Å; T96-V131 HydrophobicContact CG2-CG2 4.31Å; T96-F146 HydrophobicContact CG2-CB 4.01Å; T96-E148 VanDerWaalsContact CB-OE2 3.3Å; T96-E148 WeakPolarHBondContact CB-OE2 3.47Å; T96-E148 HydrophobicContact CG2-CB 3.94Å | ||
| 97 | S | 87.8 | Confident | 91.5 | Very high | 98 Ų | 98 | 94.2 Ų | 94.2 | 69% | 0.685 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -75.3 | -53.8 | -172.3 | 81.8 | 0 | 0 | 0 | 0 | 112.3 | E148 | S97-E148 PolarHBondContact N-OE2 3.47Å; S97-E148 PolarHBondContact OG-OE1 2.94Å |
| 98 | N | 91 | Very high | 91.7 | Very high | 52 Ų | 52 | 87.3 Ų | 87.3 | 28% | 0.278 | 45% | 0.447 | S | S | . | . | trans | -110 | 114.5 | -177.5 | -175.8 | -1 | 0 | 0 | 0 | 111 | Y100 N101 T102 | N98-Y100 VanDerWaalsContact C-N 3.28Å; N98-Y100 PolarHBondContact O-N 3.49Å; N98-Y100 PolarHBondContact OD1-N 2.83Å; N98-N101 HydrophobicContact CB-CB 4.23Å; N98-N101 VanDerWaalsContact ND2-CG 3.35Å; N98-N101 PolarHBondContact ND2-ND2 3.32Å; N98-N101 PolarHBondContact ND2-OD1 3.46Å; N98-N101 PolarHBondContact O-N 3.48Å; N98-T102 PolarHBondContact O-N 2.87Å; N98-T102 PolarHBondContact O-OG1 3.07Å | ||
| 99 | P | 91.7 | Very high | 91.9 | Very high | 93 Ų | 93 | 88.6 Ų | 88.6 | 60% | 0.604 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -63.2 | -31.7 | 179.1 | 25.8 | -34.2 | 0 | 0 | 0 | 113.2 | N101 T102 | P99-N101 VanDerWaalsContact C-N 3.27Å; P99-N101 PolarHBondContact O-N 3.43Å; P99-T102 PolarHBondContact O-N 3.33Å |
| 100 | Y | 91.9 | Very high | 92.2 | Very high | 157 Ų | 157 | 93.4 Ų | 93.4 | 62% | 0.616 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -70.8 | -23.6 | -180 | -63.1 | -77 | 0 | 0 | 0 | 113 | N98 | N98-Y100 VanDerWaalsContact C-N 3.28Å; N98-Y100 PolarHBondContact O-N 3.49Å; N98-Y100 PolarHBondContact OD1-N 2.83Å |
| 101 | N | 93.9 | Very high | 92.5 | Very high | 19 Ų | 19 | 91.9 Ų | 91.9 | 10% | 0.102 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -95.2 | 1.1 | 175.3 | -65 | 3.7 | 0 | 0 | 0 | 112.5 | N98 P99 E148 F149 E150 E152 | N98-N101 HydrophobicContact CB-CB 4.23Å; N98-N101 VanDerWaalsContact ND2-CG 3.35Å; N98-N101 PolarHBondContact ND2-ND2 3.32Å; N98-N101 PolarHBondContact ND2-OD1 3.46Å; N98-N101 PolarHBondContact O-N 3.48Å; P99-N101 VanDerWaalsContact C-N 3.27Å; P99-N101 PolarHBondContact O-N 3.43Å; N101-E148 HydrophobicContact CB-CG 4.47Å; N101-E148 WeakPolarHBondContact O-CA 3.32Å; N101-F149 WeakPolarHBondContact CB-O 3.39Å; N101-F149 PolarHBondContact ND2-O 3.19Å; N101-F149 PolarHBondContact O-N 3.07Å; N101-E150 PolarHBondContact ND2-O 3.41Å; N101-E152 VanDerWaalsContact OD1-CA 3.3Å; N101-E152 WeakPolarHBondContact OD1-CA 3.48Å; N101-E152 WeakPolarHBondContact OD1-CB 3.42Å; N101-E152 PolarHBondContact OD1-N 3.32Å |
| 102 | T | 94.2 | Very high | 92.8 | Very high | 16 Ų | 16 | 85.2 Ų | 85.2 | 10% | 0.098 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 112.8 | -172.6 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | T96 N98 P99 F146 V147 M155 | T96-T102 VanDerWaalsContact CB-OG1 3.26Å; T96-T102 WeakPolarHBondContact CB-OG1 3.1Å; T96-T102 HydrophobicContact CG2-CG2 3.91Å; T96-T102 VanDerWaalsContact OG1-CG2 3.28Å; T96-T102 WeakPolarHBondContact OG1-CG2 3.45Å; T96-T102 PolarHBondContact OG1-OG1 3.02Å; N98-T102 PolarHBondContact O-N 2.87Å; N98-T102 PolarHBondContact O-OG1 3.07Å; P99-T102 PolarHBondContact O-N 3.33Å; T102-F146 HydrophobicContact CG2-CB 3.81Å; T102-F146 HydrophobicContact CG2-CD1 3.91Å; T102-F146 HydrophobicContact CG2-CG 4.33Å; T102-V147 CarbonylContact C-O 3.59Å; T102-V147 WeakPolarHBondContact CA-O 3.33Å; T102-M155 WeakPolarHBondContact O-CE 3.47Å |
| 103 | M | 93.9 | Very high | 93 | Very high | 10 Ų | 10 | 85.2 Ų | 85.2 | 5% | 0.049 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 134.7 | 168.6 | -178.6 | 174.5 | 59.3 | 0 | 0 | 111 | V105 I121 F146 V147 F149 M155 I158 Y159 | M103-V105 HydrophobicContact CE-CG2 3.64Å; M103-V105 HydrophobicContact CG-CG2 4.01Å; M103-V105 HydrophobicContact SD-CG2 4.11Å; M103-I121 HydrophobicContact CE-CD1 3.7Å; M103-I121 HydrophobicContact CE-CG1 4.15Å; M103-I121 HydrophobicContact CE-CG2 3.58Å; M103-F146 CarbonylContact O-C 3.55Å; M103-F146 WeakPolarHBondContact O-CA 3.44Å; M103-V147 HydrophobicContact CB-CB 4.44Å; M103-V147 HydrophobicContact CE-CB 4.12Å; M103-V147 HydrophobicContact CE-CG2 4.32Å; M103-V147 PolarHBondContact N-O 3.43Å; M103-V147 PolarHBondContact O-N 3.18Å; M103-F149 HydrophobicContact CB-CD2 4.48Å; M103-F149 HydrophobicContact CB-CE2 3.92Å; M103-F149 HydrophobicContact CE-CE2 3.89Å; M103-F149 HydrophobicContact CE-CZ 4.04Å; M103-F149 HydrophobicContact SD-CE2 4.38Å; M103-M155 HydrophobicContact CB-CG 4.22Å; M103-I158 HydrophobicContact CE-CD1 3.96Å; M103-I158 HydrophobicContact SD-CB 4.32Å; M103-I158 HydrophobicContact SD-CD1 3.5Å; M103-I158 WeakPolarHBondContact SD-CD1 3.31Å; M103-I158 HydrophobicContact SD-CG1 4.46Å; M103-I158 HydrophobicContact SD-CG2 3.78Å; M103-Y159 HydrophobicContact CG-CE2 4.31Å; M103-Y159 WeakPolarHBondContact CG-OH 3.49Å |
| 104 | F | 94.7 | Very high | 93.3 | Very high | 104 Ų | 104 | 83.7 Ų | 83.7 | 46% | 0.456 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.4 | 169.7 | 173.4 | -108.8 | 0 | 0 | 0 | 110.2 | A106 Y144 F146 | F104-A106 HydrophobicContact CE1-CB 3.65Å; F104-A106 HydrophobicContact CZ-CB 3.75Å; F104-Y144 HydrophobicContact CD2-CD2 4.43Å; F104-Y144 AromaticContact CE2-CD2 3.58Å; F104-Y144 HydrophobicContact CE2-CD2 3.58Å; F104-Y144 HydrophobicContact CE2-CE2 4.31Å; F104-Y144 HydrophobicContact CE2-CG 4.02Å; F104-Y144 HydrophobicContact CZ-CD2 4.41Å; F104-Y144 HydrophobicContact CZ-CG 4.46Å; F104-F146 HydrophobicContact CB-CD1 4.46Å; F104-F146 HydrophobicContact CB-CE1 4.4Å; F104-F146 HydrophobicContact CD2-CD1 4.08Å; F104-F146 AromaticContact CD2-CE1 3.58Å; F104-F146 HydrophobicContact CD2-CE1 3.58Å; F104-F146 AromaticContact CD2-CZ 3.92Å; F104-F146 HydrophobicContact CD2-CZ 3.92Å; F104-F146 HydrophobicContact CE2-CE1 4.32Å; F104-F146 HydrophobicContact CE2-CZ 4.22Å; F104-F146 HydrophobicContact CG-CE1 4.4Å |
| 105 | V | 94.7 | Very high | 93.6 | Very high | 30 Ų | 30 | 80.8 Ų | 80.8 | 18% | 0.182 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.2 | 177.2 | -170.8 | 0 | 0 | 0 | 0 | 108.8 | M103 L108 I121 Y144 C145 V147 | M103-V105 HydrophobicContact CE-CG2 3.64Å; M103-V105 HydrophobicContact CG-CG2 4.01Å; M103-V105 HydrophobicContact SD-CG2 4.11Å; V105-L108 HydrophobicContact CG1-CD2 3.74Å; V105-L108 HydrophobicContact CG1-CG 4.18Å; V105-I121 HydrophobicContact CG2-CD1 4.27Å; V105-Y144 CarbonylContact O-C 3.47Å; V105-Y144 WeakPolarHBondContact O-CA 3.35Å; V105-Y144 VanDerWaalsContact O-CB 3.25Å; V105-Y144 WeakPolarHBondContact O-CB 3.34Å; V105-C145 PolarHBondContact N-O 2.84Å; V105-C145 PolarHBondContact O-N 3.2Å; V105-V147 HydrophobicContact CG2-CG2 4.46Å |
| 106 | A | 96.3 | Very high | 93.8 | Very high | 47 Ų | 47 | 84 Ų | 84 | 39% | 0.388 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 173 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F104 L108 G143 | F104-A106 HydrophobicContact CE1-CB 3.65Å; F104-A106 HydrophobicContact CZ-CB 3.75Å; A106-L108 PolarHBondContact O-N 3.42Å; A106-G143 CarbonylContact C-O 3.55Å |
| 107 | R | 96.6 | Very high | 94.3 | Very high | 247 Ų | 247 | 83.1 Ų | 83.1 | 93% | 0.932 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 59.9 | 32.4 | -178.8 | -55.3 | -178.4 | 176.1 | 176.2 | 0.1 | 113.5 | G143 | R107-G143 PolarHBondContact N-O 3.18Š|
| 108 | L | 95.8 | Very high | 94.6 | Very high | 34 Ų | 34 | 83.3 Ų | 83.3 | 18% | 0.178 | 41% | 0.405 | C | S | . | . | trans | -68.7 | 140.3 | 171.9 | -64 | 175.3 | 0 | 0 | 0 | 110.4 | V105 A106 Y110 L117 G143 C145 | V105-L108 HydrophobicContact CG1-CD2 3.74Å; V105-L108 HydrophobicContact CG1-CG 4.18Å; A106-L108 PolarHBondContact O-N 3.42Å; L108-Y110 PolarHBondContact O-N 2.87Å; L108-L117 HydrophobicContact CD1-CD1 4.33Å; L108-L117 HydrophobicContact CD1-CD2 4.43Å; L108-L117 HydrophobicContact CD2-CD1 3.86Å; L108-G143 PolarHBondContact N-O 2.97Å; L108-C145 HydrophobicContact CD1-CB 4.18Å | ||
| 109 | N | 96.2 | Very high | 94.8 | Very high | 99 Ų | 99 | 90.3 Ų | 90.3 | 53% | 0.529 | 43% | 0.428 | S | S | . | . | trans | -58 | 135.6 | 165.8 | -176.6 | -12.9 | 0 | 0 | 0 | 109.1 | E111 T112 | N109-E111 PolarHBondContact O-N 3.06Å; N109-E111 PolarHBondContact OD1-N 3.32Å; N109-E111 VanDerWaalsContact OD1-N 3.07Å; N109-T112 VanDerWaalsContact O-CB 3.3Å; N109-T112 WeakPolarHBondContact O-CB 3.23Å; N109-T112 PolarHBondContact O-N 3.17Å; N109-T112 PolarHBondContact O-OG1 2.98Å | ||
| 110 | Y | 96.2 | Very high | 94.8 | Very high | 161 Ų | 161 | 91.8 Ų | 91.8 | 63% | 0.631 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.7 | 179.9 | -58.1 | -36.3 | 0 | 0 | 0 | 113.6 | L108 P141 | L108-Y110 PolarHBondContact O-N 2.87Å; Y110-P141 HydrophobicContact CD1-CG 4.25Å; Y110-P141 HydrophobicContact CG-CG 4.39Å; Y110-P141 WeakPolarHBondContact O-CG 3.45Å |
| 111 | E | 94.8 | Very high | 94.9 | Very high | 167 Ų | 167 | 84.9 Ų | 84.9 | 78% | 0.78 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -7.6 | 175.8 | -62.4 | 179.9 | 170.5 | 0 | 0 | 113.5 | N109 T113 | N109-E111 PolarHBondContact O-N 3.06Å; N109-E111 PolarHBondContact OD1-N 3.32Å; N109-E111 VanDerWaalsContact OD1-N 3.07Å; E111-T113 PolarHBondContact O-N 2.88Å |
| 112 | T | 94.9 | Very high | 94.8 | Very high | 35 Ų | 35 | 88.1 Ų | 88.1 | 22% | 0.215 | 42% | 0.418 | C | S | . | . | trans | -65.8 | 122.6 | 179.8 | -64 | 0 | 0 | 0 | 0 | 110.5 | N109 K116 L117 | N109-T112 VanDerWaalsContact O-CB 3.3Å; N109-T112 WeakPolarHBondContact O-CB 3.23Å; N109-T112 PolarHBondContact O-N 3.17Å; N109-T112 PolarHBondContact O-OG1 2.98Å; T112-K116 HydrophobicContact CG2-CB 4.39Å; T112-L117 HydrophobicContact CG2-CB 4.23Å | ||
| 113 | T | 95 | Very high | 94.7 | Very high | 81 Ų | 81 | 92.8 Ų | 92.8 | 50% | 0.497 | 45% | 0.446 | S | S | . | . | trans | -84.1 | 157.5 | 174.5 | 62.7 | 0 | 0 | 0 | 0 | 111.4 | E111 S115 K116 L117 | E111-T113 PolarHBondContact O-N 2.88Å; T113-S115 PolarHBondContact O-N 3.06Å; T113-K116 PolarHBondContact O-N 2.8Å; T113-K116 VanDerWaalsContact O-N 3.17Å; T113-K116 PolarHBondContact OG1-N 3.21Å; T113-L117 PolarHBondContact O-N 3.1Å | ||
| 114 | E | 94.6 | Very high | 94.6 | Very high | 92 Ų | 92 | 97 Ų | 97 | 43% | 0.43 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -54.6 | -40.9 | 174.4 | -154.5 | -179.6 | 129.8 | 0 | 0 | 111.7 | K116 L117 K118 I130 M132 | E114-K116 PolarHBondContact O-N 3.08Å; E114-L117 PolarHBondContact O-N 3.18Å; E114-K118 VanDerWaalsContact O-CB 3.31Å; E114-K118 WeakPolarHBondContact O-CB 3.39Å; E114-K118 PolarHBondContact O-N 3.4Å; E114-I130 HydrophobicContact CG-CB 4.19Å; E114-I130 HydrophobicContact CG-CD1 4.34Å; E114-I130 HydrophobicContact CG-CG2 3.94Å; E114-M132 HydrophobicContact CB-CE 3.4Å; E114-M132 HydrophobicContact CB-SD 4.15Å; E114-M132 HydrophobicContact CG-CE 3.84Å; E114-M132 HydrophobicContact CG-SD 4.41Å |
| 115 | S | 95.4 | Very high | 94.5 | Very high | 78 Ų | 78 | 92.9 Ų | 92.9 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66 | -38.7 | -178.5 | -46.8 | 0 | 0 | 0 | 0 | 112.2 | T113 R119 | T113-S115 PolarHBondContact O-N 3.06Å; S115-R119 VanDerWaalsContact O-CG 3.3Å; S115-R119 WeakPolarHBondContact O-CG 3.49Å; S115-R119 PolarHBondContact O-N 2.98Å; S115-R119 VanDerWaalsContact O-N 3.11Å |
| 116 | K | 95.2 | Very high | 94.4 | Very high | 116 Ų | 116 | 99.3 Ų | 99.3 | 50% | 0.504 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65 | -49.7 | 174.4 | -177.5 | 173.6 | -178.6 | 176.5 | 0 | 109.8 | T112 T113 E114 K118 R119 E120 | T112-K116 HydrophobicContact CG2-CB 4.39Å; T113-K116 PolarHBondContact O-N 2.8Å; T113-K116 VanDerWaalsContact O-N 3.17Å; T113-K116 PolarHBondContact OG1-N 3.21Å; E114-K116 PolarHBondContact O-N 3.08Å; K116-K118 VanDerWaalsContact C-N 3.31Å; K116-K118 PolarHBondContact O-N 2.86Å; K116-R119 PolarHBondContact O-N 3.37Å; K116-E120 WeakPolarHBondContact O-CG 3.41Å; K116-E120 PolarHBondContact O-N 3.42Å |
| 117 | L | 94.9 | Very high | 94.4 | Very high | 10 Ų | 10 | 98 Ų | 98 | 5% | 0.052 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -57.5 | -44.7 | 178.2 | -176.3 | 72.1 | 0 | 0 | 0 | 112 | L108 T112 T113 E114 R119 E120 I121 I130 C145 | L108-L117 HydrophobicContact CD1-CD1 4.33Å; L108-L117 HydrophobicContact CD1-CD2 4.43Å; L108-L117 HydrophobicContact CD2-CD1 3.86Å; T112-L117 HydrophobicContact CG2-CB 4.23Å; T113-L117 PolarHBondContact O-N 3.1Å; E114-L117 PolarHBondContact O-N 3.18Å; L117-R119 PolarHBondContact O-N 3.27Å; L117-E120 PolarHBondContact O-N 3.24Å; L117-I121 HydrophobicContact CD1-CD1 3.54Å; L117-I121 HydrophobicContact CD1-CG1 4.39Å; L117-I121 HydrophobicContact CD2-CD1 4.42Å; L117-I121 HydrophobicContact CG-CD1 3.69Å; L117-I121 WeakPolarHBondContact O-CG1 3.49Å; L117-I121 PolarHBondContact O-N 3.18Å; L117-I121 VanDerWaalsContact O-N 3.11Å; L117-I130 HydrophobicContact CD2-CG2 3.91Å; L117-C145 HydrophobicContact CD2-CB 4.26Å; L117-C145 WeakPolarHBondContact CD2-SG 3.47Å |
| 118 | K | 95.2 | Very high | 94.2 | Very high | 101 Ų | 101 | 91.3 Ų | 91.3 | 44% | 0.439 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -57.9 | -49.3 | 176.9 | -171.5 | 173.4 | -177.9 | 172.9 | 0 | 110.8 | E114 K116 E120 I121 D122 I127 I130 | E114-K118 VanDerWaalsContact O-CB 3.31Å; E114-K118 WeakPolarHBondContact O-CB 3.39Å; E114-K118 PolarHBondContact O-N 3.4Å; K116-K118 VanDerWaalsContact C-N 3.31Å; K116-K118 PolarHBondContact O-N 2.86Å; K118-E120 VanDerWaalsContact C-N 3.29Å; K118-E120 PolarHBondContact O-N 3.29Å; K118-I121 PolarHBondContact O-N 2.9Å; K118-I121 VanDerWaalsContact O-N 3.14Å; K118-D122 WeakPolarHBondContact O-CB 3.34Å; K118-D122 PolarHBondContact O-N 2.9Å; K118-I127 HydrophobicContact CG-CD1 3.94Å; K118-I130 HydrophobicContact CB-CD1 3.75Å; K118-I130 HydrophobicContact CD-CD1 4.43Å; K118-I130 HydrophobicContact CG-CD1 4.02Å |
| 119 | R | 94.6 | Very high | 94.1 | Very high | 199 Ų | 199 | 93.1 Ų | 93.1 | 75% | 0.751 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -57.4 | -39.6 | 179.1 | -73 | 173.3 | -174.8 | -169.9 | 1.5 | 113.3 | S115 K116 L117 | S115-R119 VanDerWaalsContact O-CG 3.3Å; S115-R119 WeakPolarHBondContact O-CG 3.49Å; S115-R119 PolarHBondContact O-N 2.98Å; S115-R119 VanDerWaalsContact O-N 3.11Å; K116-R119 PolarHBondContact O-N 3.37Å; L117-R119 PolarHBondContact O-N 3.27Å |
| 120 | E | 92.8 | Very high | 94.1 | Very high | 125 Ų | 125 | 89.1 Ų | 89.1 | 58% | 0.584 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -73.4 | -28.4 | 179.9 | -60.6 | -64 | 163.6 | 0 | 0 | 112.8 | K116 L117 K118 V123 | K116-E120 WeakPolarHBondContact O-CG 3.41Å; K116-E120 PolarHBondContact O-N 3.42Å; L117-E120 PolarHBondContact O-N 3.24Å; K118-E120 VanDerWaalsContact C-N 3.29Å; K118-E120 PolarHBondContact O-N 3.29Å; E120-V123 VanDerWaalsContact O-CG2 3.26Å; E120-V123 WeakPolarHBondContact O-CG2 3.18Å |
| 121 | I | 92.8 | Very high | 94 | Very high | 12 Ų | 12 | 82.8 Ų | 82.8 | 6% | 0.062 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -98.3 | -25.1 | -174.2 | -62.7 | 175.2 | 0 | 0 | 0 | 112.3 | M103 V105 L117 K118 V123 F124 I127 V147 F149 | M103-I121 HydrophobicContact CE-CD1 3.7Å; M103-I121 HydrophobicContact CE-CG1 4.15Å; M103-I121 HydrophobicContact CE-CG2 3.58Å; V105-I121 HydrophobicContact CG2-CD1 4.27Å; L117-I121 HydrophobicContact CD1-CD1 3.54Å; L117-I121 HydrophobicContact CD1-CG1 4.39Å; L117-I121 HydrophobicContact CD2-CD1 4.42Å; L117-I121 HydrophobicContact CG-CD1 3.69Å; L117-I121 WeakPolarHBondContact O-CG1 3.49Å; L117-I121 PolarHBondContact O-N 3.18Å; L117-I121 VanDerWaalsContact O-N 3.11Å; K118-I121 PolarHBondContact O-N 2.9Å; K118-I121 VanDerWaalsContact O-N 3.14Å; I121-V123 PolarHBondContact O-N 3.07Å; I121-F124 HydrophobicContact CG2-CD2 4.43Å; I121-F124 WeakPolarHBondContact O-CD2 3.35Å; I121-F124 PolarHBondContact O-N 3.11Å; I121-I127 HydrophobicContact CB-CD1 4.05Å; I121-I127 HydrophobicContact CG2-CD1 3.95Å; I121-I127 HydrophobicContact CG2-CG1 4.38Å; I121-V147 HydrophobicContact CD1-CG2 3.86Å; I121-V147 HydrophobicContact CG2-CG1 4.1Å; I121-F149 HydrophobicContact CG2-CE1 3.96Å; I121-F149 HydrophobicContact CG2-CE2 4.34Å; I121-F149 HydrophobicContact CG2-CZ 3.39Å |
| 122 | D | 92.4 | Very high | 94 | Very high | 87 Ų | 87 | 77.5 Ų | 77.5 | 47% | 0.465 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -59.1 | -23.1 | -179.2 | -160.9 | 54.7 | 0 | 0 | 0 | 112.6 | K118 F124 G125 I127 | K118-D122 WeakPolarHBondContact O-CB 3.34Å; K118-D122 PolarHBondContact O-N 2.9Å; D122-F124 PolarHBondContact O-N 3.35Å; D122-G125 PolarHBondContact O-N 3.02Å; D122-I127 HydrophobicContact CB-CD1 4.32Å |
| 123 | V | 92.1 | Very high | 94.1 | Very high | 113 Ų | 113 | 77.4 Ų | 77.4 | 69% | 0.685 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -62.4 | -24.2 | 175.2 | -62.2 | 0 | 0 | 0 | 0 | 114 | E120 I121 | E120-V123 VanDerWaalsContact O-CG2 3.26Å; E120-V123 WeakPolarHBondContact O-CG2 3.18Å; I121-V123 PolarHBondContact O-N 3.07Å |
| 124 | F | 90.9 | Very high | 94.1 | Very high | 99 Ų | 99 | 79.3 Ų | 79.3 | 43% | 0.434 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -87.8 | -22.6 | -178.5 | -61.2 | -72.3 | 0 | 0 | 0 | 113 | I121 D122 F149 I158 | I121-F124 HydrophobicContact CG2-CD2 4.43Å; I121-F124 WeakPolarHBondContact O-CD2 3.35Å; I121-F124 PolarHBondContact O-N 3.11Å; D122-F124 PolarHBondContact O-N 3.35Å; F124-F149 HydrophobicContact CB-CE1 4.36Å; F124-F149 HydrophobicContact CB-CZ 4.44Å; F124-I158 HydrophobicContact CB-CD1 3.73Å; F124-I158 HydrophobicContact CB-CG1 3.66Å; F124-I158 HydrophobicContact CD1-CD1 4.49Å; F124-I158 HydrophobicContact CD1-CG1 3.64Å; F124-I158 HydrophobicContact CD2-CD1 3.99Å; F124-I158 HydrophobicContact CD2-CG1 3.94Å; F124-I158 HydrophobicContact CE1-CG1 4.23Å; F124-I158 HydrophobicContact CG-CD1 3.83Å; F124-I158 HydrophobicContact CG-CG1 3.48Å; F124-I158 VanDerWaalsContact CG-CG1 3.48Å |
| 125 | G | 92.6 | Very high | 94.1 | Very high | 17 Ų | 17 | 77.8 Ų | 77.8 | 18% | 0.175 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 158.6 | 175 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D122 I127 | D122-G125 PolarHBondContact O-N 3.02Å; G125-I127 PolarHBondContact O-N 3.24Å |
| 126 | R | 94.4 | Very high | 94 | Very high | 165 Ų | 165 | 79.6 Ų | 79.6 | 62% | 0.623 | 39% | 0.386 | S | S | * | . | trans | -72.3 | 122.6 | -175 | -177.3 | 154.5 | 170.3 | -127.5 | 9 | 110.9 | E150 | R126-E150 HydrophobicContact CB-CB 4.34Å; R126-E150 WeakPolarHBondContact CD-OE2 3.28Å; R126-E150 WeakPolarHBondContact CG-OE2 3.37Å; R126-E150 IonicContact CZ-OE2 3.54Å; R126-E150 IonicContact NE-OE2 3.61Å; R126-E150 VanDerWaalsContact NH1-CD 3.32Å; R126-E150 IonicContact NH1-OE1 3.06Å; R126-E150 PolarHBondContact NH1-OE1 3.06Å; R126-E150 IonicContact NH1-OE2 2.81Å; R126-E150 PolarHBondContact NH1-OE2 3.31Å; R126-E150 PolarHBondContact O-N 3.18Å | ||
| 127 | I | 94.6 | Very high | 94 | Very high | 19 Ų | 19 | 81.8 Ų | 81.8 | 10% | 0.097 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125.6 | -180 | -58.8 | 163.9 | 0 | 0 | 0 | 110.1 | K118 I121 D122 G125 I130 V147 F149 | K118-I127 HydrophobicContact CG-CD1 3.94Å; I121-I127 HydrophobicContact CB-CD1 4.05Å; I121-I127 HydrophobicContact CG2-CD1 3.95Å; I121-I127 HydrophobicContact CG2-CG1 4.38Å; D122-I127 HydrophobicContact CB-CD1 4.32Å; G125-I127 PolarHBondContact O-N 3.24Å; I127-I130 HydrophobicContact CD1-CD1 4.35Å; I127-I130 HydrophobicContact CG2-CD1 4.1Å; I127-I130 HydrophobicContact CG2-CG1 3.63Å; I127-V147 HydrophobicContact CD1-CG1 4.38Å; I127-V147 HydrophobicContact CG1-CG1 4.11Å; I127-V147 HydrophobicContact CG2-CG1 3.76Å; I127-F149 HydrophobicContact CG1-CD1 4.33Å; I127-F149 HydrophobicContact CG1-CE1 4.02Å |
| 128 | N | 94.1 | Very high | 94 | Very high | 107 Ų | 107 | 85.3 Ų | 85.3 | 57% | 0.572 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -50.4 | 173.4 | -170.4 | 28.2 | 0 | 0 | 0 | 111.3 | E148 | N128-E148 WeakPolarHBondContact CA-O 3.4Å; N128-E148 HydrophobicContact CB-CB 4.4Å; N128-E148 HydrophobicContact CB-CG 4.24Å; N128-E148 WeakPolarHBondContact CB-O 3.42Å; N128-E148 PolarHBondContact N-O 3.36Å; N128-E148 PolarHBondContact ND2-OE1 3.34Å |
| 129 | N | 93.8 | Very high | 94 | Very high | 72 Ų | 72 | 82.7 Ų | 82.7 | 39% | 0.385 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 149.8 | -175.9 | -168.7 | 16.2 | 0 | 0 | 0 | 112.3 | E148 | N129-E148 HydrophobicContact CB-CB 4.18Å; N129-E148 PolarHBondContact N-O 2.8Å; N129-E148 PolarHBondContact O-N 2.87Å |
| 130 | I | 94.8 | Very high | 94 | Very high | 15 Ų | 15 | 80.3 Ų | 80.3 | 8% | 0.077 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 121.3 | 174.4 | -57.7 | 178.6 | 0 | 0 | 0 | 109 | E114 L117 K118 I127 M132 V147 | E114-I130 HydrophobicContact CG-CB 4.19Å; E114-I130 HydrophobicContact CG-CD1 4.34Å; E114-I130 HydrophobicContact CG-CG2 3.94Å; L117-I130 HydrophobicContact CD2-CG2 3.91Å; K118-I130 HydrophobicContact CB-CD1 3.75Å; K118-I130 HydrophobicContact CD-CD1 4.43Å; K118-I130 HydrophobicContact CG-CD1 4.02Å; I127-I130 HydrophobicContact CD1-CD1 4.35Å; I127-I130 HydrophobicContact CG2-CD1 4.1Å; I127-I130 HydrophobicContact CG2-CG1 3.63Å; I130-M132 HydrophobicContact CG2-CG 4.24Å; I130-V147 HydrophobicContact CG1-CG1 4.26Å; I130-V147 HydrophobicContact CG1-CG2 4.4Å; I130-V147 HydrophobicContact CG2-CG2 4.35Å |
| 131 | V | 94.6 | Very high | 94.2 | Very high | 29 Ų | 29 | 77 Ų | 77 | 18% | 0.176 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 98.2 | 176.4 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | T96 C145 F146 | T96-V131 HydrophobicContact CG2-CG2 4.31Å; V131-C145 CarbonylContact O-C 3.51Å; V131-C145 WeakPolarHBondContact O-CA 3.48Å; V131-C145 VanDerWaalsContact O-CB 3.27Å; V131-C145 WeakPolarHBondContact O-CB 3.47Å; V131-F146 HydrophobicContact CB-CB 4.4Å; V131-F146 PolarHBondContact N-O 2.7Å; V131-F146 PolarHBondContact O-N 3.46Å |
| 132 | M | 94.9 | Very high | 94.3 | Very high | 56 Ų | 56 | 83.5 Ų | 83.5 | 28% | 0.276 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 123.1 | 171.4 | -68 | -168.5 | -64.3 | 0 | 0 | 111.2 | E114 I130 C145 | E114-M132 HydrophobicContact CB-CE 3.4Å; E114-M132 HydrophobicContact CB-SD 4.15Å; E114-M132 HydrophobicContact CG-CE 3.84Å; E114-M132 HydrophobicContact CG-SD 4.41Å; I130-M132 HydrophobicContact CG2-CG 4.24Å; M132-C145 HydrophobicContact CB-CB 4.44Å; M132-C145 HydrophobicContact CG-CB 4.02Å |
| 133 | V | 95.7 | Very high | 94.5 | Very high | 33 Ų | 33 | 79.8 Ų | 79.8 | 20% | 0.2 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 127.4 | -176.1 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | R142 Y144 F146 | V133-R142 HydrophobicContact CG1-CG 4.34Å; V133-R142 WeakPolarHBondContact O-CB 3.29Å; V133-R142 PolarHBondContact O-N 3.17Å; V133-Y144 HydrophobicContact CB-CD2 3.97Å; V133-Y144 HydrophobicContact CB-CE1 4.11Å; V133-Y144 HydrophobicContact CB-CE2 3.52Å; V133-Y144 HydrophobicContact CB-CG 4.48Å; V133-Y144 HydrophobicContact CG1-CE1 4.14Å; V133-Y144 HydrophobicContact CG1-CE2 3.93Å; V133-Y144 WeakPolarHBondContact CG1-OH 3.41Å; V133-Y144 HydrophobicContact CG2-CD2 3.82Å; V133-Y144 HydrophobicContact CG2-CE2 3.33Å; V133-Y144 PolarHBondContact N-O 3.27Å; V133-F146 HydrophobicContact CG2-CD2 4.12Å; V133-F146 HydrophobicContact CG2-CE2 3.97Å |
| 134 | K | 95.5 | Very high | 94.8 | Very high | 120 Ų | 120 | 77.5 Ų | 77.5 | 52% | 0.522 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151.9 | 177.2 | -56.7 | -179.5 | -174.8 | 179.8 | 0 | 109.8 | V136 K140 | K134-V136 PolarHBondContact O-N 3.16Å; K134-K140 CarbonylContact C-O 3.45Å; K134-K140 WeakPolarHBondContact CA-O 3.42Å |
| 135 | N | 94.9 | Very high | 95 | Very high | 61 Ų | 61 | 72.8 Ų | 72.8 | 33% | 0.326 | 37% | 0.373 | S | S | . | . | trans | -64.8 | 127.5 | 171.1 | -176.9 | -45.2 | 0 | 0 | 0 | 109 | M137 T138 G139 K140 | N135-M137 VanDerWaalsContact C-N 3.28Å; N135-M137 PolarHBondContact O-N 2.87Å; N135-M137 WeakPolarHBondContact OD1-CB 3.41Å; N135-M137 PolarHBondContact OD1-N 3.43Å; N135-T138 VanDerWaalsContact CB-OG1 3.31Å; N135-T138 WeakPolarHBondContact CB-OG1 3.38Å; N135-T138 PolarHBondContact OD1-N 3.05Å; N135-G139 VanDerWaalsContact O-CA 3.27Å; N135-G139 WeakPolarHBondContact O-CA 3.44Å; N135-G139 PolarHBondContact O-N 3Å; N135-K140 PolarHBondContact N-O 3.49Å | ||
| 136 | V | 93 | Very high | 95.2 | Very high | 116 Ų | 116 | 75.3 Ų | 75.3 | 70% | 0.703 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -32.3 | -175.7 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | K134 | K134-V136 PolarHBondContact O-N 3.16Š|
| 137 | M | 94.9 | Very high | 95.2 | Very high | 162 Ų | 162 | 67.5 Ų | 67.5 | 80% | 0.798 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -43.9 | -177.7 | -59.2 | -63.3 | 114.1 | 0 | 0 | 112.2 | N135 | N135-M137 VanDerWaalsContact C-N 3.28Å; N135-M137 PolarHBondContact O-N 2.87Å; N135-M137 WeakPolarHBondContact OD1-CB 3.41Å; N135-M137 PolarHBondContact OD1-N 3.43Å |
| 138 | T | 96.4 | Very high | 95.2 | Very high | 83 Ų | 83 | 66.9 Ų | 66.9 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -13 | -172.9 | 66.4 | 0 | 0 | 0 | 0 | 114.1 | N135 K140 | N135-T138 VanDerWaalsContact CB-OG1 3.31Å; N135-T138 WeakPolarHBondContact CB-OG1 3.38Å; N135-T138 PolarHBondContact OD1-N 3.05Å; T138-K140 PolarHBondContact O-N 2.72Å; T138-K140 PolarHBondContact OG1-N 3.21Å |
| 139 | G | 94.2 | Very high | 95.3 | Very high | 46 Ų | 46 | 61.9 Ų | 61.9 | 47% | 0.474 | 32% | 0.319 | S | S | . | . | trans | 69 | -5.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | N135 | N135-G139 VanDerWaalsContact O-CA 3.27Å; N135-G139 WeakPolarHBondContact O-CA 3.44Å; N135-G139 PolarHBondContact O-N 3Å | ||
| 140 | K | 95.5 | Very high | 95.3 | Very high | 150 Ų | 150 | 62.5 Ų | 62.5 | 65% | 0.652 | 32% | 0.32 | S | S | * | . | trans | -70.5 | 142.2 | -178.3 | -64.9 | -174.5 | 178.9 | -175.8 | 0 | 111.1 | K134 N135 T138 | K134-K140 CarbonylContact C-O 3.45Å; K134-K140 WeakPolarHBondContact CA-O 3.42Å; N135-K140 PolarHBondContact N-O 3.49Å; T138-K140 PolarHBondContact O-N 2.72Å; T138-K140 PolarHBondContact OG1-N 3.21Å | ||
| 141 | P | 96.1 | Very high | 95.3 | Very high | 54 Ų | 54 | 65.3 Ų | 65.3 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 140.5 | 176.1 | 26.4 | -32.9 | 0 | 0 | 0 | 110.8 | Y110 G143 | Y110-P141 HydrophobicContact CD1-CG 4.25Å; Y110-P141 HydrophobicContact CG-CG 4.39Å; Y110-P141 WeakPolarHBondContact O-CG 3.45Å; P141-G143 VanDerWaalsContact C-N 3.29Å |
| 142 | R | 95.8 | Very high | 95.2 | Very high | 149 Ų | 149 | 68.2 Ų | 68.2 | 56% | 0.562 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -6.8 | 176.6 | -72.3 | -83 | -73.9 | 161.5 | -1 | 113 | V133 Y144 | V133-R142 HydrophobicContact CG1-CG 4.34Å; V133-R142 WeakPolarHBondContact O-CB 3.29Å; V133-R142 PolarHBondContact O-N 3.17Å; R142-Y144 HydrophobicContact CB-CD1 3.57Å; R142-Y144 HydrophobicContact CB-CE1 3.37Å; R142-Y144 HydrophobicContact CG-CE1 4.08Å |
| 143 | G | 96.1 | Very high | 95 | Very high | 9 Ų | 9 | 74 Ų | 74 | 9% | 0.093 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.6 | 22.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | A106 R107 L108 P141 | A106-G143 CarbonylContact C-O 3.55Å; R107-G143 PolarHBondContact N-O 3.18Å; L108-G143 PolarHBondContact N-O 2.97Å; P141-G143 VanDerWaalsContact C-N 3.29Å |
| 144 | Y | 97.2 | Very high | 94.8 | Very high | 66 Ų | 66 | 73.6 Ų | 73.6 | 26% | 0.259 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 157.3 | 172.5 | 71.2 | -90.1 | 0 | 0 | 0 | 112.3 | F104 V105 V133 R142 F146 | F104-Y144 HydrophobicContact CD2-CD2 4.43Å; F104-Y144 AromaticContact CE2-CD2 3.58Å; F104-Y144 HydrophobicContact CE2-CD2 3.58Å; F104-Y144 HydrophobicContact CE2-CE2 4.31Å; F104-Y144 HydrophobicContact CE2-CG 4.02Å; F104-Y144 HydrophobicContact CZ-CD2 4.41Å; F104-Y144 HydrophobicContact CZ-CG 4.46Å; V105-Y144 CarbonylContact O-C 3.47Å; V105-Y144 WeakPolarHBondContact O-CA 3.35Å; V105-Y144 VanDerWaalsContact O-CB 3.25Å; V105-Y144 WeakPolarHBondContact O-CB 3.34Å; V133-Y144 HydrophobicContact CB-CD2 3.97Å; V133-Y144 HydrophobicContact CB-CE1 4.11Å; V133-Y144 HydrophobicContact CB-CE2 3.52Å; V133-Y144 HydrophobicContact CB-CG 4.48Å; V133-Y144 HydrophobicContact CG1-CE1 4.14Å; V133-Y144 HydrophobicContact CG1-CE2 3.93Å; V133-Y144 WeakPolarHBondContact CG1-OH 3.41Å; V133-Y144 HydrophobicContact CG2-CD2 3.82Å; V133-Y144 HydrophobicContact CG2-CE2 3.33Å; V133-Y144 PolarHBondContact N-O 3.27Å; R142-Y144 HydrophobicContact CB-CD1 3.57Å; R142-Y144 HydrophobicContact CB-CE1 3.37Å; R142-Y144 HydrophobicContact CG-CE1 4.08Å; Y144-F146 HydrophobicContact CD2-CE2 4.15Å; Y144-F146 AromaticContact CE2-CE2 3.83Å; Y144-F146 HydrophobicContact CE2-CE2 3.83Å; Y144-F146 HydrophobicContact CE2-CZ 4.26Å |
| 145 | C | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 166.3 | 177.4 | 69.7 | 0 | 0 | 0 | 0 | 112.2 | V105 L108 L117 V131 M132 | V105-C145 PolarHBondContact N-O 2.84Å; V105-C145 PolarHBondContact O-N 3.2Å; L108-C145 HydrophobicContact CD1-CB 4.18Å; L117-C145 HydrophobicContact CD2-CB 4.26Å; L117-C145 WeakPolarHBondContact CD2-SG 3.47Å; V131-C145 CarbonylContact O-C 3.51Å; V131-C145 WeakPolarHBondContact O-CA 3.48Å; V131-C145 VanDerWaalsContact O-CB 3.27Å; V131-C145 WeakPolarHBondContact O-CB 3.47Å; M132-C145 HydrophobicContact CB-CB 4.44Å; M132-C145 HydrophobicContact CG-CB 4.02Å |
| 146 | F | 95.9 | Very high | 94.2 | Very high | 70 Ų | 70 | 70.6 Ų | 70.6 | 31% | 0.307 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130 | 169.7 | -61.3 | -84.4 | 0 | 0 | 0 | 108.8 | T96 T102 M103 F104 V131 V133 Y144 | T96-F146 HydrophobicContact CG2-CB 4.01Å; T102-F146 HydrophobicContact CG2-CB 3.81Å; T102-F146 HydrophobicContact CG2-CD1 3.91Å; T102-F146 HydrophobicContact CG2-CG 4.33Å; M103-F146 CarbonylContact O-C 3.55Å; M103-F146 WeakPolarHBondContact O-CA 3.44Å; F104-F146 HydrophobicContact CB-CD1 4.46Å; F104-F146 HydrophobicContact CB-CE1 4.4Å; F104-F146 HydrophobicContact CD2-CD1 4.08Å; F104-F146 AromaticContact CD2-CE1 3.58Å; F104-F146 HydrophobicContact CD2-CE1 3.58Å; F104-F146 AromaticContact CD2-CZ 3.92Å; F104-F146 HydrophobicContact CD2-CZ 3.92Å; F104-F146 HydrophobicContact CE2-CE1 4.32Å; F104-F146 HydrophobicContact CE2-CZ 4.22Å; F104-F146 HydrophobicContact CG-CE1 4.4Å; V131-F146 HydrophobicContact CB-CB 4.4Å; V131-F146 PolarHBondContact N-O 2.7Å; V131-F146 PolarHBondContact O-N 3.46Å; V133-F146 HydrophobicContact CG2-CD2 4.12Å; V133-F146 HydrophobicContact CG2-CE2 3.97Å; Y144-F146 HydrophobicContact CD2-CE2 4.15Å; Y144-F146 AromaticContact CE2-CE2 3.83Å; Y144-F146 HydrophobicContact CE2-CE2 3.83Å; Y144-F146 HydrophobicContact CE2-CZ 4.26Å |
| 147 | V | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 117.4 | 178.7 | -178 | 0 | 0 | 0 | 0 | 108.1 | T102 M103 V105 I121 I127 I130 F149 | T102-V147 CarbonylContact C-O 3.59Å; T102-V147 WeakPolarHBondContact CA-O 3.33Å; M103-V147 HydrophobicContact CB-CB 4.44Å; M103-V147 HydrophobicContact CE-CB 4.12Å; M103-V147 HydrophobicContact CE-CG2 4.32Å; M103-V147 PolarHBondContact N-O 3.43Å; M103-V147 PolarHBondContact O-N 3.18Å; V105-V147 HydrophobicContact CG2-CG2 4.46Å; I121-V147 HydrophobicContact CD1-CG2 3.86Å; I121-V147 HydrophobicContact CG2-CG1 4.1Å; I127-V147 HydrophobicContact CD1-CG1 4.38Å; I127-V147 HydrophobicContact CG1-CG1 4.11Å; I127-V147 HydrophobicContact CG2-CG1 3.76Å; I130-V147 HydrophobicContact CG1-CG1 4.26Å; I130-V147 HydrophobicContact CG1-CG2 4.4Å; I130-V147 HydrophobicContact CG2-CG2 4.35Å; V147-F149 HydrophobicContact CG1-CE2 4.17Å; V147-F149 HydrophobicContact CG1-CZ 4.29Å |
| 148 | E | 95.2 | Very high | 93.2 | Very high | 7 Ų | 7 | 61.4 Ų | 61.4 | 3% | 0.033 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 120.5 | 178.6 | -170.2 | 179.9 | 156.1 | 0 | 0 | 109.3 | T96 S97 N101 N128 N129 | T96-E148 VanDerWaalsContact CB-OE2 3.3Å; T96-E148 WeakPolarHBondContact CB-OE2 3.47Å; T96-E148 HydrophobicContact CG2-CB 3.94Å; S97-E148 PolarHBondContact N-OE2 3.47Å; S97-E148 PolarHBondContact OG-OE1 2.94Å; N101-E148 HydrophobicContact CB-CG 4.47Å; N101-E148 WeakPolarHBondContact O-CA 3.32Å; N128-E148 WeakPolarHBondContact CA-O 3.4Å; N128-E148 HydrophobicContact CB-CB 4.4Å; N128-E148 HydrophobicContact CB-CG 4.24Å; N128-E148 WeakPolarHBondContact CB-O 3.42Å; N128-E148 PolarHBondContact N-O 3.36Å; N128-E148 PolarHBondContact ND2-OE1 3.34Å; N129-E148 HydrophobicContact CB-CB 4.18Å; N129-E148 PolarHBondContact N-O 2.8Å; N129-E148 PolarHBondContact O-N 2.87Å |
| 149 | F | 95.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 159.5 | 173.7 | -71.1 | -84.8 | 0 | 0 | 0 | 111.8 | N101 M103 I121 F124 I127 V147 D154 M155 I158 | N101-F149 WeakPolarHBondContact CB-O 3.39Å; N101-F149 PolarHBondContact ND2-O 3.19Å; N101-F149 PolarHBondContact O-N 3.07Å; M103-F149 HydrophobicContact CB-CD2 4.48Å; M103-F149 HydrophobicContact CB-CE2 3.92Å; M103-F149 HydrophobicContact CE-CE2 3.89Å; M103-F149 HydrophobicContact CE-CZ 4.04Å; M103-F149 HydrophobicContact SD-CE2 4.38Å; I121-F149 HydrophobicContact CG2-CE1 3.96Å; I121-F149 HydrophobicContact CG2-CE2 4.34Å; I121-F149 HydrophobicContact CG2-CZ 3.39Å; F124-F149 HydrophobicContact CB-CE1 4.36Å; F124-F149 HydrophobicContact CB-CZ 4.44Å; I127-F149 HydrophobicContact CG1-CD1 4.33Å; I127-F149 HydrophobicContact CG1-CE1 4.02Å; V147-F149 HydrophobicContact CG1-CE2 4.17Å; V147-F149 HydrophobicContact CG1-CZ 4.29Å; F149-D154 HydrophobicContact CB-CB 4.35Å; F149-D154 HydrophobicContact CD1-CB 4.04Å; F149-D154 HydrophobicContact CG-CB 4.29Å; F149-M155 HydrophobicContact CD2-CB 3.84Å; F149-M155 HydrophobicContact CD2-CG 4.28Å; F149-M155 HydrophobicContact CE2-CB 4.45Å; F149-M155 HydrophobicContact CG-CB 4.5Å; F149-I158 HydrophobicContact CE1-CD1 4.33Å; F149-I158 HydrophobicContact CE2-CD1 3.51Å; F149-I158 HydrophobicContact CZ-CD1 3.34Å |
| 150 | E | 94.5 | Very high | 91.2 | Very high | 86 Ų | 86 | 69.3 Ų | 69.3 | 40% | 0.402 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -67.5 | -38.9 | 171.8 | -170.1 | 170.3 | -167.1 | 0 | 0 | 111.3 | N101 R126 | N101-E150 PolarHBondContact ND2-O 3.41Å; R126-E150 HydrophobicContact CB-CB 4.34Å; R126-E150 WeakPolarHBondContact CD-OE2 3.28Å; R126-E150 WeakPolarHBondContact CG-OE2 3.37Å; R126-E150 IonicContact CZ-OE2 3.54Å; R126-E150 IonicContact NE-OE2 3.61Å; R126-E150 VanDerWaalsContact NH1-CD 3.32Å; R126-E150 IonicContact NH1-OE1 3.06Å; R126-E150 PolarHBondContact NH1-OE1 3.06Å; R126-E150 IonicContact NH1-OE2 2.81Å; R126-E150 PolarHBondContact NH1-OE2 3.31Å; R126-E150 PolarHBondContact O-N 3.18Å |
| 151 | H | 93.6 | Very high | 91 | Very high | 74 Ų | 74 | 65.3 Ų | 65.3 | 34% | 0.343 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -121.9 | 141.3 | -178.3 | -49.8 | 91.8 | 0 | 0 | 0 | 112.6 | R153 D154 | H151-R153 VanDerWaalsContact C-N 3.26Å; H151-R153 HydrophobicContact CB-CG 3.97Å; H151-R153 PolarHBondContact O-N 3.35Å; H151-D154 IonicContact CG-OD2 3.87Å; H151-D154 IonicContact ND1-OD2 3.31Å; H151-D154 PolarHBondContact ND1-OD2 3.42Å; H151-D154 PolarHBondContact O-N 3.4Å |
| 152 | E | 92.2 | Very high | 90.8 | Very high | 90 Ų | 90 | 65.9 Ų | 65.9 | 42% | 0.421 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.5 | -35.1 | 175.9 | -178.2 | 173.2 | 179.9 | 0 | 0 | 112.9 | N101 D154 M155 H156 | N101-E152 VanDerWaalsContact OD1-CA 3.3Å; N101-E152 WeakPolarHBondContact OD1-CA 3.48Å; N101-E152 WeakPolarHBondContact OD1-CB 3.42Å; N101-E152 PolarHBondContact OD1-N 3.32Å; E152-D154 VanDerWaalsContact C-N 3.28Å; E152-D154 PolarHBondContact O-N 3.4Å; E152-M155 PolarHBondContact O-N 3.4Å; E152-H156 VanDerWaalsContact CG-CE1 3.41Å; E152-H156 WeakPolarHBondContact CG-CE1 3.16Å; E152-H156 WeakPolarHBondContact CG-ND1 3.44Å; E152-H156 PolarHBondContact O-N 3.04Å; E152-H156 PolarHBondContact O-ND1 3.15Å; E152-H156 IonicContact OE1-CE1 3.67Å; E152-H156 PolarHBondContact OE1-CE1 3.06Å; E152-H156 VanDerWaalsContact OE1-CE1 3.25Å; E152-H156 IonicContact OE1-ND1 3.25Å |
| 153 | R | 92.6 | Very high | 90.5 | Very high | 177 Ų | 177 | 61.3 Ų | 61.3 | 67% | 0.668 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.4 | -35.3 | 178.7 | 74.8 | -172.2 | 178.7 | -173.2 | -6.9 | 112.6 | H151 M155 H156 G157 | H151-R153 VanDerWaalsContact C-N 3.26Å; H151-R153 HydrophobicContact CB-CG 3.97Å; H151-R153 PolarHBondContact O-N 3.35Å; R153-M155 VanDerWaalsContact C-N 3.32Å; R153-H156 PolarHBondContact O-N 3.36Å; R153-G157 PolarHBondContact O-N 3.31Å |
| 154 | D | 91.5 | Very high | 90.2 | Very high | 25 Ų | 25 | 64.4 Ų | 64.4 | 13% | 0.134 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.1 | -35.3 | -177.7 | -57.5 | -10.3 | 0 | 0 | 0 | 109.3 | F149 H151 E152 I158 | F149-D154 HydrophobicContact CB-CB 4.35Å; F149-D154 HydrophobicContact CD1-CB 4.04Å; F149-D154 HydrophobicContact CG-CB 4.29Å; H151-D154 IonicContact CG-OD2 3.87Å; H151-D154 IonicContact ND1-OD2 3.31Å; H151-D154 PolarHBondContact ND1-OD2 3.42Å; H151-D154 PolarHBondContact O-N 3.4Å; E152-D154 VanDerWaalsContact C-N 3.28Å; E152-D154 PolarHBondContact O-N 3.4Å; D154-I158 WeakPolarHBondContact O-CG1 3.33Å |
| 155 | M | 89.8 | Confident | 89.7 | Confident | 25 Ų | 25 | 64.3 Ų | 64.3 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.7 | -46.4 | 173.4 | -175.3 | -79.3 | -140 | 0 | 0 | 112 | T102 M103 F149 E152 R153 G157 I158 Y159 | T102-M155 WeakPolarHBondContact O-CE 3.47Å; M103-M155 HydrophobicContact CB-CG 4.22Å; F149-M155 HydrophobicContact CD2-CB 3.84Å; F149-M155 HydrophobicContact CD2-CG 4.28Å; F149-M155 HydrophobicContact CE2-CB 4.45Å; F149-M155 HydrophobicContact CG-CB 4.5Å; E152-M155 PolarHBondContact O-N 3.4Å; R153-M155 VanDerWaalsContact C-N 3.32Å; M155-G157 PolarHBondContact O-N 3.33Å; M155-I158 PolarHBondContact O-N 3.17Å; M155-Y159 HydrophobicContact CE-CE2 4.32Å; M155-Y159 HydrophobicContact SD-CD2 4.04Å; M155-Y159 HydrophobicContact SD-CE2 3.77Å |
| 156 | H | 88 | Confident | 89.3 | Confident | 93 Ų | 93 | 68.5 Ų | 68.5 | 43% | 0.431 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.1 | -33 | -179.3 | -78.1 | 84.1 | 0 | 0 | 0 | 113.4 | E152 R153 I158 Y159 S160 | E152-H156 VanDerWaalsContact CG-CE1 3.41Å; E152-H156 WeakPolarHBondContact CG-CE1 3.16Å; E152-H156 WeakPolarHBondContact CG-ND1 3.44Å; E152-H156 PolarHBondContact O-N 3.04Å; E152-H156 PolarHBondContact O-ND1 3.15Å; E152-H156 IonicContact OE1-CE1 3.67Å; E152-H156 PolarHBondContact OE1-CE1 3.06Å; E152-H156 VanDerWaalsContact OE1-CE1 3.25Å; E152-H156 IonicContact OE1-ND1 3.25Å; R153-H156 PolarHBondContact O-N 3.36Å; H156-I158 PolarHBondContact O-N 3.33Å; H156-I158 VanDerWaalsContact O-N 3.11Å; H156-Y159 PolarHBondContact O-N 2.89Å; H156-Y159 VanDerWaalsContact O-N 3.16Å; H156-S160 PolarHBondContact O-OG 2.69Å |
| 157 | G | 83.6 | Confident | 88.8 | Confident | 45 Ų | 45 | 68.4 Ų | 68.4 | 46% | 0.464 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -17.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R153 M155 | R153-G157 PolarHBondContact O-N 3.31Å; M155-G157 PolarHBondContact O-N 3.33Å |
| 158 | I | 81.7 | Confident | 88.3 | Confident | 39 Ų | 39 | 73.7 Ų | 73.7 | 20% | 0.2 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -29.1 | 179.7 | -58.7 | 168 | 0 | 0 | 0 | 112 | M103 F124 F149 D154 M155 H156 | M103-I158 HydrophobicContact CE-CD1 3.96Å; M103-I158 HydrophobicContact SD-CB 4.32Å; M103-I158 HydrophobicContact SD-CD1 3.5Å; M103-I158 WeakPolarHBondContact SD-CD1 3.31Å; M103-I158 HydrophobicContact SD-CG1 4.46Å; M103-I158 HydrophobicContact SD-CG2 3.78Å; F124-I158 HydrophobicContact CB-CD1 3.73Å; F124-I158 HydrophobicContact CB-CG1 3.66Å; F124-I158 HydrophobicContact CD1-CD1 4.49Å; F124-I158 HydrophobicContact CD1-CG1 3.64Å; F124-I158 HydrophobicContact CD2-CD1 3.99Å; F124-I158 HydrophobicContact CD2-CG1 3.94Å; F124-I158 HydrophobicContact CE1-CG1 4.23Å; F124-I158 HydrophobicContact CG-CD1 3.83Å; F124-I158 HydrophobicContact CG-CG1 3.48Å; F124-I158 VanDerWaalsContact CG-CG1 3.48Å; F149-I158 HydrophobicContact CE1-CD1 4.33Å; F149-I158 HydrophobicContact CE2-CD1 3.51Å; F149-I158 HydrophobicContact CZ-CD1 3.34Å; D154-I158 WeakPolarHBondContact O-CG1 3.33Å; M155-I158 PolarHBondContact O-N 3.17Å; H156-I158 PolarHBondContact O-N 3.33Å; H156-I158 VanDerWaalsContact O-N 3.11Å |
| 159 | Y | 78.4 | Confident | 87.8 | Confident | 140 Ų | 140 | 79.3 Ų | 79.3 | 55% | 0.549 | 40% | 0.402 | S | S | . | . | trans | -92.5 | -3.1 | -177.1 | -68.3 | -73.7 | 0 | 0 | 0 | 113.5 | M103 M155 H156 | M103-Y159 HydrophobicContact CG-CE2 4.31Å; M103-Y159 WeakPolarHBondContact CG-OH 3.49Å; M155-Y159 HydrophobicContact CE-CE2 4.32Å; M155-Y159 HydrophobicContact SD-CD2 4.04Å; M155-Y159 HydrophobicContact SD-CE2 3.77Å; H156-Y159 PolarHBondContact O-N 2.89Å; H156-Y159 VanDerWaalsContact O-N 3.16Å | ||
| 160 | S | 71.9 | Confident | 87.1 | Confident | 156 Ų | 156 | 86.4 Ų | 86.4 | 100% | 1.091 | 44% | 0.439 | S | S | * | . | trans | -90.1 | 0 | 177.1 | -57.2 | 0 | 0 | 0 | 0 | 110.7 | H156 | H156-S160 PolarHBondContact O-OG 2.69Š|
Retrieved 160 of 160 residues in 42.7 ms
(Link to these results)