| 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 | 49.4 | Very low | 54.7 | Low | 249 Ų | 249 | 143.9 Ų | 143.9 | 100% | 1.227 | 85% | 0.853 | S | S | * | * | 0 | 102.1 | 0 | -69 | 179.3 | 179.6 | 0 | 0 | 107.5 | |||||
| 2 | A | 50.7 | Low | 54.5 | Low | 95 Ų | 95 | 141.8 Ų | 141.8 | 79% | 0.785 | 85% | 0.847 | S | S | * | * | trans | -124.2 | 110.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | I4 | A2-I4 PolarHBondContact O-N 3.41Š| ||
| 3 | S | 53 | Low | 53.4 | Low | 115 Ų | 115 | 141.3 Ų | 141.3 | 80% | 0.804 | 85% | 0.852 | S | S | * | * | trans | -79.8 | 108.3 | -178.1 | -56.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4 | I | 66.1 | Low | 53 | Low | 157 Ų | 157 | 145.5 Ų | 145.5 | 81% | 0.805 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 117.2 | 167.6 | 24.6 | 171.3 | 0 | 0 | 0 | 108.5 | A2 | A2-I4 PolarHBondContact O-N 3.41Š|
| 5 | K | 63.7 | Low | 52.7 | Low | 199 Ų | 199 | 144 Ų | 144 | 87% | 0.865 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 131.8 | 175.7 | -67.1 | 180 | 177.4 | 177.9 | 0 | 109 | ||
| 6 | F | 50 | Low | 51.8 | Low | 202 Ų | 202 | 142.3 Ų | 142.3 | 89% | 0.886 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 128.6 | 175 | -68.8 | -89.4 | 0 | 0 | 0 | 110.4 | ||
| 7 | G | 48.9 | Very low | 51.6 | Low | 80 Ų | 80 | 140.2 Ų | 140.2 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -103.3 | 110.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 8 | T | 54.7 | Low | 51.1 | Low | 127 Ų | 127 | 141.8 Ų | 141.8 | 78% | 0.779 | 83% | 0.832 | S | S | * | * | trans | -87.5 | 119.4 | 170 | -42.4 | 0 | 0 | 0 | 0 | 107.9 | T10 | T8-T10 HydrophobicContact CG2-CG2 4.34Š| ||
| 9 | S | 56.5 | Low | 51.1 | Low | 123 Ų | 123 | 143.9 Ų | 143.9 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | trans | -111.6 | 96.5 | 166 | 69.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 10 | T | 57.5 | Low | 50.4 | Low | 117 Ų | 117 | 147.4 Ų | 147.4 | 72% | 0.718 | 83% | 0.832 | S | S | * | * | trans | -95.9 | 120.2 | 160.7 | 47.3 | 0 | 0 | 0 | 0 | 108 | T8 | T8-T10 HydrophobicContact CG2-CG2 4.34Š| ||
| 11 | S | 51.8 | Low | 50 | Low | 119 Ų | 119 | 148.7 Ų | 148.7 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | trans | -173.9 | 154.5 | 149.5 | -87.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 12 | P | 52.2 | Low | 49.8 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -112.2 | 144.6 | -133.4 | 32.4 | -20 | 0 | 0 | 0 | 113.6 | ||||
| 13 | C | 40.1 | Very low | 49.4 | Very low | 135 Ų | 135 | 147 Ų | 147 | 91% | 0.912 | 80% | 0.804 | S | S | * | * | trans | -104.8 | 117.6 | 171.6 | -69.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 14 | K | 48 | Very low | 49.2 | Very low | 200 Ų | 200 | 147.2 Ų | 147.2 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | trans | -62.9 | 134.2 | -179.2 | -170.4 | 168.6 | 179.2 | 179.4 | 0 | 111.6 | ||||
| 15 | V | 47.6 | Very low | 48.4 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | trans | -70 | 143.1 | 169.1 | -67.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 16 | P | 39.3 | Very low | 47.8 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -91.9 | 111.9 | 150.6 | 16.6 | 1.3 | 0 | 0 | 0 | 108.5 | ||||
| 17 | S | 47.1 | Very low | 47.9 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | -70.2 | 112.1 | 153.6 | 24.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 18 | E | 43.5 | Very low | 48 | Very low | 170 Ų | 170 | 145 Ų | 145 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -125.2 | 103.7 | 156.2 | -83.5 | 178 | 166.8 | 0 | 0 | 106.4 | R20 | E18-R20 PolarHBondContact O-N 3.14Å; E18-R20 VanDerWaalsContact O-N 3.14Å | ||
| 19 | E | 50 | Low | 48.1 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -19 | 101.7 | 147 | 50.2 | -138.7 | 126 | 0 | 0 | 113.6 | ||||
| 20 | R | 37.9 | Very low | 48.1 | Very low | 214 Ų | 214 | 149 Ų | 149 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | -89.7 | 114.6 | 162.8 | -173.3 | 169.2 | 177.5 | 138.2 | 0.9 | 108.1 | E18 E23 | E18-R20 PolarHBondContact O-N 3.14Å; E18-R20 VanDerWaalsContact O-N 3.14Å; R20-E23 IonicContact CZ-OE1 3.86Å; R20-E23 IonicContact NE-OE1 3.89Å; R20-E23 IonicContact NH2-OE1 2.94Å; R20-E23 PolarHBondContact NH2-OE1 2.94Å | ||
| 21 | E | 41.1 | Very low | 48.2 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -49.8 | 147.8 | 176.1 | -62.6 | 168.6 | 156.8 | 0 | 0 | 112.4 | E23 | E21-E23 PolarHBondContact O-N 3.2Š| ||
| 22 | E | 46.9 | Very low | 48.4 | Very low | 180 Ų | 180 | 148 Ų | 148 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | -55.4 | 111.1 | 176.4 | -67.7 | 171.9 | 136.7 | 0 | 0 | 111.5 | V24 | E22-V24 HydrophobicContact CB-CG2 4.04Š| ||
| 23 | E | 40.8 | Very low | 49 | Very low | 130 Ų | 130 | 145.3 Ų | 145.3 | 61% | 0.607 | 75% | 0.749 | S | S | * | * | trans | -96.2 | 84.5 | 152.9 | -65.6 | -178.9 | -131.3 | 0 | 0 | 106.2 | R20 E21 E25 | R20-E23 IonicContact CZ-OE1 3.86Å; R20-E23 IonicContact NE-OE1 3.89Å; R20-E23 IonicContact NH2-OE1 2.94Å; R20-E23 PolarHBondContact NH2-OE1 2.94Å; E21-E23 PolarHBondContact O-N 3.2Å; E23-E25 PolarHBondContact O-N 2.93Å | ||
| 24 | V | 49.9 | Very low | 51 | Low | 119 Ų | 119 | 142.8 Ų | 142.8 | 72% | 0.721 | 73% | 0.726 | S | S | * | * | trans | -69.8 | 85.2 | 164.2 | -164.6 | 0 | 0 | 0 | 0 | 105.8 | E22 D26 | E22-V24 HydrophobicContact CB-CG2 4.04Å; V24-D26 PolarHBondContact O-N 3.33Å | ||
| 25 | E | 49.8 | Very low | 52.8 | Low | 155 Ų | 155 | 136.5 Ų | 136.5 | 72% | 0.724 | 71% | 0.706 | S | S | * | * | trans | -68.7 | 92.2 | 165.2 | -69.5 | -154.9 | 166.2 | 0 | 0 | 107.7 | E23 Y27 | E23-E25 PolarHBondContact O-N 2.93Å; E25-Y27 PolarHBondContact O-N 2.91Å | ||
| 26 | D | 50.7 | Low | 54.7 | Low | 158 Ų | 158 | 134.9 Ų | 134.9 | 85% | 0.845 | 69% | 0.693 | S | S | * | * | trans | -62.6 | 70.3 | 158.2 | -176.9 | 44.8 | 0 | 0 | 0 | 108.5 | V24 | V24-D26 PolarHBondContact O-N 3.33Š| ||
| 27 | Y | 51.3 | Low | 57.2 | Low | 165 Ų | 165 | 135.3 Ų | 135.3 | 65% | 0.647 | 68% | 0.683 | S | S | * | * | trans | -89.5 | 106.7 | 168.3 | -172 | -99.4 | 0 | 0 | 0 | 106.8 | E25 S29 | E25-Y27 PolarHBondContact O-N 2.91Å; Y27-S29 WeakPolarHBondContact O-CA 3.49Å; Y27-S29 PolarHBondContact O-N 2.82Å; Y27-S29 PolarHBondContact O-OG 3.17Å | ||
| 28 | D | 52.4 | Low | 59.3 | Low | 112 Ų | 112 | 135.2 Ų | 135.2 | 60% | 0.599 | 67% | 0.674 | S | S | * | * | trans | -30 | 97.4 | 174.5 | -176.1 | 3.4 | 0 | 0 | 0 | 111.4 | R30 | D28-R30 PolarHBondContact O-N 2.98Å; D28-R30 PolarHBondContact OD1-N 2.78Å | ||
| 29 | S | 55.5 | Low | 61.6 | Low | 118 Ų | 118 | 128.6 Ų | 128.6 | 83% | 0.825 | 64% | 0.643 | S | S | * | * | trans | -79 | 18.2 | -169.4 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | Y27 A31 | Y27-S29 WeakPolarHBondContact O-CA 3.49Å; Y27-S29 PolarHBondContact O-N 2.82Å; Y27-S29 PolarHBondContact O-OG 3.17Å; S29-A31 PolarHBondContact O-N 3.2Å | ||
| 30 | R | 57.4 | Low | 63.7 | Low | 216 Ų | 216 | 123.7 Ų | 123.7 | 82% | 0.815 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -73.7 | 72.5 | 165.9 | -77.5 | -172.7 | 159.9 | 112.9 | -2.1 | 110.4 | D28 N32 | D28-R30 PolarHBondContact O-N 2.98Å; D28-R30 PolarHBondContact OD1-N 2.78Å; R30-N32 PolarHBondContact O-N 3.42Å |
| 31 | A | 58.8 | Low | 66.3 | Low | 79 Ų | 79 | 113.7 Ų | 113.7 | 65% | 0.653 | 58% | 0.583 | S | S | * | * | trans | 21.4 | 73.4 | 151.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | S29 C33 | S29-A31 PolarHBondContact O-N 3.2Å; A31-C33 PolarHBondContact O-N 2.9Å | ||
| 32 | N | 55.4 | Low | 68.6 | Low | 137 Ų | 137 | 108.5 Ų | 108.5 | 73% | 0.733 | 57% | 0.565 | S | S | * | * | trans | -65.5 | 85 | 157.4 | -171.6 | 12.8 | 0 | 0 | 0 | 107.5 | R30 D34 | R30-N32 PolarHBondContact O-N 3.42Å; N32-D34 VanDerWaalsContact C-N 3.29Å; N32-D34 PolarHBondContact O-N 3.36Å | ||
| 33 | C | 66.3 | Low | 70.6 | Confident | 62 Ų | 62 | 100.5 Ų | 100.5 | 42% | 0.419 | 53% | 0.527 | S | S | . | . | trans | -66.1 | 93.5 | 173.5 | -76.3 | 0 | 0 | 0 | 0 | 107.5 | A31 P35 R80 | A31-C33 PolarHBondContact O-N 2.9Å; C33-P35 WeakPolarHBondContact O-CD 3.41Å; C33-R80 PolarHBondContact SG-NH1 3.44Å | ||
| 34 | D | 82.3 | Confident | 72.8 | Confident | 83 Ų | 83 | 96.3 Ų | 96.3 | 44% | 0.444 | 51% | 0.509 | S | S | . | . | trans | -42.6 | 115.1 | 174.1 | 169.4 | 11.3 | 0 | 0 | 0 | 109.5 | N32 D36 K37 | N32-D34 VanDerWaalsContact C-N 3.29Å; N32-D34 PolarHBondContact O-N 3.36Å; D34-D36 PolarHBondContact O-N 3.26Å; D34-D36 PolarHBondContact OD1-N 3.26Å; D34-K37 HydrophobicContact CB-CB 4.05Å; D34-K37 VanDerWaalsContact O-CB 3.25Å; D34-K37 WeakPolarHBondContact O-CB 3.48Å; D34-K37 PolarHBondContact O-N 3.09Å; D34-K37 VanDerWaalsContact O-N 3.11Å | ||
| 35 | P | 84 | Confident | 74.7 | Confident | 68 Ų | 68 | 99.3 Ų | 99.3 | 44% | 0.442 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -25.9 | -171.6 | 24.7 | -34.5 | 0 | 0 | 0 | 112.4 | C33 C52 | C33-P35 WeakPolarHBondContact O-CD 3.41Å; P35-C52 HydrophobicContact CB-CB 4.37Å; P35-C52 PolarHBondContact O-N 2.85Å; P35-C52 PolarHBondContact O-SG 2.95Å |
| 36 | D | 87.9 | Confident | 76.7 | Confident | 89 Ų | 89 | 98.5 Ų | 98.5 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -6.5 | -179.4 | -75.5 | -44.4 | 0 | 0 | 0 | 113.4 | D34 L38 R50 | D34-D36 PolarHBondContact O-N 3.26Å; D34-D36 PolarHBondContact OD1-N 3.26Å; D36-L38 PolarHBondContact O-N 3.43Å; D36-R50 WeakPolarHBondContact OD1-CD 3.31Å; D36-R50 IonicContact OD1-CZ 3.49Å; D36-R50 IonicContact OD1-NE 3.66Å; D36-R50 IonicContact OD1-NH1 2.83Å; D36-R50 PolarHBondContact OD1-NH1 2.77Å |
| 37 | K | 91.3 | Very high | 78.6 | Confident | 125 Ų | 125 | 94.4 Ų | 94.4 | 54% | 0.543 | 49% | 0.488 | S | S | . | . | trans | -55.8 | 126.2 | 174.9 | -175.1 | 174.4 | -178.7 | 175.9 | 0 | 110.8 | D34 R50 S51 | D34-K37 HydrophobicContact CB-CB 4.05Å; D34-K37 VanDerWaalsContact O-CB 3.25Å; D34-K37 WeakPolarHBondContact O-CB 3.48Å; D34-K37 PolarHBondContact O-N 3.09Å; D34-K37 VanDerWaalsContact O-N 3.11Å; K37-R50 CarbonylContact O-C 3.6Å; K37-R50 WeakPolarHBondContact O-CA 3.39Å; K37-S51 PolarHBondContact O-N 3.15Å | ||
| 38 | L | 92.6 | Very high | 80.7 | Confident | 105 Ų | 105 | 93.6 Ų | 93.6 | 55% | 0.55 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 124.7 | 178.3 | -64.7 | 175.7 | 0 | 0 | 0 | 110.8 | D36 I49 R50 | D36-L38 PolarHBondContact O-N 3.43Å; L38-I49 CarbonylContact C-O 3.51Å; L38-R50 HydrophobicContact CD2-CG 3.73Å |
| 39 | L | 90.9 | Very high | 82.7 | Confident | 30 Ų | 30 | 89.2 Ų | 89.2 | 16% | 0.157 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 142.1 | 175 | -57 | 177.6 | 0 | 0 | 0 | 109.9 | K48 I49 F54 R80 | L39-K48 WeakPolarHBondContact O-CA 3.42Å; L39-I49 PolarHBondContact N-O 2.8Å; L39-I49 PolarHBondContact O-N 3.09Å; L39-F54 HydrophobicContact CB-CD2 3.65Å; L39-F54 HydrophobicContact CB-CE2 3.61Å; L39-F54 HydrophobicContact CB-CG 4.32Å; L39-F54 HydrophobicContact CB-CZ 4.23Å; L39-F54 HydrophobicContact CD1-CB 4.13Å; L39-F54 HydrophobicContact CD1-CD1 4.16Å; L39-F54 HydrophobicContact CD1-CD2 4.08Å; L39-F54 HydrophobicContact CD1-CE2 4.5Å; L39-F54 HydrophobicContact CD1-CG 3.89Å; L39-F54 HydrophobicContact CG-CD2 4.48Å; L39-R80 VanDerWaalsContact CD1-NH2 3.32Å |
| 40 | Q | 93.9 | Very high | 84.5 | Confident | 79 Ų | 79 | 90.1 Ų | 90.1 | 37% | 0.369 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 134.2 | 176.8 | -172.2 | 60.8 | 57 | 0 | 0 | 110.4 | D44 K45 H47 | Q40-D44 PolarHBondContact NE2-O 3.06Å; Q40-D44 VanDerWaalsContact NE2-O 3.09Å; Q40-K45 VanDerWaalsContact CD-O 3.31Å; Q40-K45 PolarHBondContact NE2-O 3.29Å; Q40-K45 PolarHBondContact OE1-O 2.87Å; Q40-H47 PolarHBondContact NE2-O 3.07Å |
| 41 | C | 92.8 | Very high | 86.1 | Confident | 3 Ų | 3 | 80.3 Ų | 80.3 | 2% | 0.02 | 42% | 0.415 | C | S | . | . | trans | -72.5 | 135.5 | 175.6 | -175.4 | 0 | 0 | 0 | 0 | 112 | F43 D44 H47 I49 H57 | C41-F43 PolarHBondContact SG-N 3.24Å; C41-F43 VanDerWaalsContact SG-N 3.39Å; C41-D44 WeakPolarHBondContact CB-O 3.49Å; C41-D44 CarbonylContact O-C 3.57Å; C41-H47 HydrophobicContact CB-CB 3.78Å; C41-H47 PolarHBondContact N-O 3.42Å; C41-I49 HydrophobicContact CB-CD1 3.84Å; C41-H57 WeakPolarHBondContact CB-NE2 3.36Å; C41-H57 PolarHBondContact SG-NE2 3.19Å | ||
| 42 | P | 88.9 | Confident | 87.6 | Confident | 66 Ų | 66 | 80.1 Ų | 80.1 | 43% | 0.429 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -71.8 | -25.2 | 174.8 | -25.3 | 38.8 | 0 | 0 | 0 | 114.4 | L72 L82 | P42-L72 HydrophobicContact CB-CD1 4.41Å; P42-L82 HydrophobicContact CB-CD1 3.98Å; P42-L82 HydrophobicContact CG-CB 4.32Å; P42-L82 HydrophobicContact CG-CD1 3.7Å |
| 43 | F | 89.4 | Confident | 89.4 | Confident | 12 Ų | 12 | 81.6 Ų | 81.6 | 5% | 0.053 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -78.3 | -27.4 | 177.7 | -59.7 | -61.6 | 0 | 0 | 0 | 112.7 | C41 L58 C61 R62 H65 L68 L72 L82 | C41-F43 PolarHBondContact SG-N 3.24Å; C41-F43 VanDerWaalsContact SG-N 3.39Å; F43-L58 HydrophobicContact CD2-CD2 4.36Å; F43-L58 HydrophobicContact CE2-CD2 4.17Å; F43-C61 HydrophobicContact CD2-CB 4.09Å; F43-R62 HydrophobicContact CE2-CB 4.02Å; F43-R62 HydrophobicContact CZ-CB 4.08Å; F43-R62 HydrophobicContact CZ-CG 4.13Å; F43-H65 HydrophobicContact CB-CB 4.29Å; F43-L68 HydrophobicContact CD1-CB 3.79Å; F43-L68 HydrophobicContact CE1-CB 4.28Å; F43-L68 WeakPolarHBondContact O-CD1 3.46Å; F43-L72 HydrophobicContact CD1-CD1 4.19Å; F43-L72 HydrophobicContact CE1-CB 4.38Å; F43-L72 HydrophobicContact CE1-CD1 3.89Å; F43-L82 HydrophobicContact CD2-CD1 4.36Å; F43-L82 HydrophobicContact CE2-CD1 3.7Å; F43-L82 HydrophobicContact CZ-CD1 3.83Å; F43-L82 HydrophobicContact CZ-CD2 4.3Å |
| 44 | D | 88.3 | Confident | 90.7 | Very high | 41 Ų | 41 | 79.1 Ų | 79.1 | 22% | 0.219 | 39% | 0.385 | C | S | . | . | trans | -150.2 | 122.5 | -177 | -170.5 | -13.3 | 0 | 0 | 0 | 111.6 | Q40 C41 N46 H47 | Q40-D44 PolarHBondContact NE2-O 3.06Å; Q40-D44 VanDerWaalsContact NE2-O 3.09Å; C41-D44 WeakPolarHBondContact CB-O 3.49Å; C41-D44 CarbonylContact O-C 3.57Å; D44-N46 PolarHBondContact O-N 3.39Å; D44-N46 WeakPolarHBondContact OD1-CB 3.17Å; D44-N46 PolarHBondContact OD1-N 2.92Å; D44-N46 PolarHBondContact OD1-OD1 3.43Å; D44-H47 PolarHBondContact O-N 2.66Å; D44-H47 IonicContact OD2-CE1 2.92Å; D44-H47 PolarHBondContact OD2-CE1 2.99Å; D44-H47 IonicContact OD2-ND1 3.65Å; D44-H47 IonicContact OD2-NE2 3.58Å | ||
| 45 | K | 88.8 | Confident | 91.1 | Very high | 183 Ų | 183 | 77.1 Ų | 77.1 | 80% | 0.796 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -9.8 | 179.6 | -62.5 | -178.6 | -176.3 | -179.9 | 0 | 113.2 | Q40 | Q40-K45 VanDerWaalsContact CD-O 3.31Å; Q40-K45 PolarHBondContact NE2-O 3.29Å; Q40-K45 PolarHBondContact OE1-O 2.87Å |
| 46 | N | 91.4 | Very high | 91.5 | Very high | 138 Ų | 138 | 81.6 Ų | 81.6 | 74% | 0.738 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -17.5 | 177.5 | -67.1 | 65.4 | 0 | 0 | 0 | 112.4 | D44 | D44-N46 PolarHBondContact O-N 3.39Å; D44-N46 WeakPolarHBondContact OD1-CB 3.17Å; D44-N46 PolarHBondContact OD1-N 2.92Å; D44-N46 PolarHBondContact OD1-OD1 3.43Å |
| 47 | H | 91.7 | Very high | 91.8 | Very high | 71 Ų | 71 | 79 Ų | 79 | 33% | 0.329 | 37% | 0.371 | S | S | . | . | trans | -91.4 | 113.5 | -178 | -62.8 | 146.9 | 0 | 0 | 0 | 113 | Q40 C41 D44 I49 H57 | Q40-H47 PolarHBondContact NE2-O 3.07Å; C41-H47 HydrophobicContact CB-CB 3.78Å; C41-H47 PolarHBondContact N-O 3.42Å; D44-H47 PolarHBondContact O-N 2.66Å; D44-H47 IonicContact OD2-CE1 2.92Å; D44-H47 PolarHBondContact OD2-CE1 2.99Å; D44-H47 IonicContact OD2-ND1 3.65Å; D44-H47 IonicContact OD2-NE2 3.58Å; H47-I49 HydrophobicContact CB-CD1 3.75Å; H47-I49 HydrophobicContact CB-CG1 4.48Å; H47-I49 WeakPolarHBondContact O-CD1 3.39Å; H47-H57 AromaticContact CG-CE1 3.86Å; H47-H57 AromaticContact ND1-CE1 3.58Å; H47-H57 AromaticContact ND1-NE2 3.93Å | ||
| 48 | K | 94.1 | Very high | 91.8 | Very high | 148 Ų | 148 | 73.4 Ų | 73.4 | 64% | 0.643 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.1 | 168.6 | -64.5 | 179.7 | -177.2 | -177.8 | 0 | 109.4 | L39 | L39-K48 WeakPolarHBondContact O-CA 3.42Å |
| 49 | I | 94 | Very high | 91.8 | Very high | 20 Ų | 20 | 72.8 Ų | 72.8 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.7 | -170.9 | -46.4 | 92.9 | 0 | 0 | 0 | 109.5 | L38 L39 C41 H47 R53 F54 H57 | L38-I49 CarbonylContact C-O 3.51Å; L39-I49 PolarHBondContact N-O 2.8Å; L39-I49 PolarHBondContact O-N 3.09Å; C41-I49 HydrophobicContact CB-CD1 3.84Å; H47-I49 HydrophobicContact CB-CD1 3.75Å; H47-I49 HydrophobicContact CB-CG1 4.48Å; H47-I49 WeakPolarHBondContact O-CD1 3.39Å; I49-R53 HydrophobicContact CG2-CB 3.97Å; I49-F54 HydrophobicContact CB-CD2 4.16Å; I49-F54 HydrophobicContact CD1-CD2 4.22Å; I49-F54 HydrophobicContact CD1-CE2 4.2Å; I49-H57 VanDerWaalsContact CD1-CD2 3.44Å; I49-H57 WeakPolarHBondContact CD1-CD2 3.25Å; I49-H57 WeakPolarHBondContact CD1-NE2 3.15Å; I49-H57 HydrophobicContact CG1-CB 4.2Å; I49-H57 HydrophobicContact CG2-CB 4.04Å |
| 50 | R | 94.3 | Very high | 91.9 | Very high | 137 Ų | 137 | 78.3 Ų | 78.3 | 52% | 0.517 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 143.9 | 174.1 | -61.8 | -176.1 | -172.6 | -174.6 | 6.8 | 111.7 | D36 K37 L38 C52 R53 F54 | D36-R50 WeakPolarHBondContact OD1-CD 3.31Å; D36-R50 IonicContact OD1-CZ 3.49Å; D36-R50 IonicContact OD1-NE 3.66Å; D36-R50 IonicContact OD1-NH1 2.83Å; D36-R50 PolarHBondContact OD1-NH1 2.77Å; K37-R50 CarbonylContact O-C 3.6Å; K37-R50 WeakPolarHBondContact O-CA 3.39Å; L38-R50 HydrophobicContact CD2-CG 3.73Å; R50-C52 VanDerWaalsContact C-N 3.26Å; R50-C52 PolarHBondContact O-N 2.86Å; R50-R53 PolarHBondContact O-N 3.05Å; R50-F54 PolarHBondContact O-N 3Å |
| 51 | S | 92.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 74.7 Ų | 74.7 | 8% | 0.077 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -50.2 | -46.3 | -179.4 | -172 | 0 | 0 | 0 | 0 | 112.1 | K37 R53 F54 R80 | K37-S51 PolarHBondContact O-N 3.15Å; S51-R53 PolarHBondContact O-N 2.88Å; S51-F54 WeakPolarHBondContact O-CB 3.18Å; S51-F54 PolarHBondContact O-N 3.37Å; S51-R80 PolarHBondContact OG-NH1 3.23Å |
| 52 | C | 90.1 | Very high | 91.8 | Very high | 75 Ų | 75 | 80.2 Ų | 80.2 | 51% | 0.507 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -60.6 | -29.5 | 179.4 | 64 | 0 | 0 | 0 | 0 | 114.3 | P35 R50 | P35-C52 HydrophobicContact CB-CB 4.37Å; P35-C52 PolarHBondContact O-N 2.85Å; P35-C52 PolarHBondContact O-SG 2.95Å; R50-C52 VanDerWaalsContact C-N 3.26Å; R50-C52 PolarHBondContact O-N 2.86Å |
| 53 | R | 92.5 | Very high | 91.9 | Very high | 168 Ų | 168 | 84.4 Ų | 84.4 | 63% | 0.634 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -100.4 | -6.7 | -177.5 | -149.3 | -171.4 | -177.6 | 98.5 | -3 | 112.7 | I49 R50 S51 Y56 H57 | I49-R53 HydrophobicContact CG2-CB 3.97Å; R50-R53 PolarHBondContact O-N 3.05Å; S51-R53 PolarHBondContact O-N 2.88Å; R53-Y56 PolarHBondContact O-N 3.3Å; R53-H57 PolarHBondContact O-N 3.31Å |
| 54 | F | 92.8 | Very high | 92 | Very high | 9 Ų | 9 | 89.8 Ų | 89.8 | 4% | 0.039 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.2 | -46.4 | -174.1 | -162.6 | -104.6 | 0 | 0 | 0 | 113.2 | L39 I49 R50 S51 Y56 H57 L58 R80 | L39-F54 HydrophobicContact CB-CD2 3.65Å; L39-F54 HydrophobicContact CB-CE2 3.61Å; L39-F54 HydrophobicContact CB-CG 4.32Å; L39-F54 HydrophobicContact CB-CZ 4.23Å; L39-F54 HydrophobicContact CD1-CB 4.13Å; L39-F54 HydrophobicContact CD1-CD1 4.16Å; L39-F54 HydrophobicContact CD1-CD2 4.08Å; L39-F54 HydrophobicContact CD1-CE2 4.5Å; L39-F54 HydrophobicContact CD1-CG 3.89Å; L39-F54 HydrophobicContact CG-CD2 4.48Å; I49-F54 HydrophobicContact CB-CD2 4.16Å; I49-F54 HydrophobicContact CD1-CD2 4.22Å; I49-F54 HydrophobicContact CD1-CE2 4.2Å; R50-F54 PolarHBondContact O-N 3Å; S51-F54 WeakPolarHBondContact O-CB 3.18Å; S51-F54 PolarHBondContact O-N 3.37Å; F54-Y56 VanDerWaalsContact C-N 3.34Å; F54-Y56 PolarHBondContact O-N 3.37Å; F54-H57 WeakPolarHBondContact O-CB 3.16Å; F54-H57 PolarHBondContact O-N 3.25Å; F54-H57 VanDerWaalsContact O-N 3.09Å; F54-L58 HydrophobicContact CD1-CD1 3.94Å; F54-L58 HydrophobicContact CD1-CD2 4.48Å; F54-L58 HydrophobicContact CD1-CG 4.09Å; F54-L58 HydrophobicContact CE1-CD1 3.77Å; F54-L58 HydrophobicContact CE1-CD2 3.99Å; F54-L58 HydrophobicContact CE1-CG 4.02Å; F54-L58 HydrophobicContact CZ-CD2 4.06Å; F54-L58 WeakPolarHBondContact O-CG 3.4Å; F54-L58 PolarHBondContact O-N 3.47Å; F54-R80 HydrophobicContact CD1-CB 4.19Å; F54-R80 HydrophobicContact CD1-CG 4.07Å; F54-R80 HydrophobicContact CE1-CB 4.45Å |
| 55 | P | 91 | Very high | 92.2 | Very high | 42 Ų | 42 | 90.6 Ų | 90.6 | 27% | 0.273 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 179.1 | -23.5 | 34.8 | 0 | 0 | 0 | 112.6 | H57 L58 I59 A79 R80 | P55-H57 VanDerWaalsContact C-N 3.33Å; P55-H57 PolarHBondContact O-N 2.82Å; P55-L58 PolarHBondContact O-N 2.92Å; P55-I59 PolarHBondContact O-N 2.99Å; P55-A79 HydrophobicContact CB-CB 4.46Å; P55-R80 HydrophobicContact CG-CG 4.34Å |
| 56 | Y | 93 | Very high | 92.2 | Very high | 161 Ų | 161 | 86.2 Ų | 86.2 | 63% | 0.631 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.2 | -37.1 | 176.6 | -59.6 | -75.5 | 0 | 0 | 0 | 112.4 | R53 F54 K60 | R53-Y56 PolarHBondContact O-N 3.3Å; F54-Y56 VanDerWaalsContact C-N 3.34Å; F54-Y56 PolarHBondContact O-N 3.37Å; Y56-K60 PolarHBondContact O-N 2.7Å |
| 57 | H | 93.7 | Very high | 92.1 | Very high | 34 Ų | 34 | 87.9 Ų | 87.9 | 16% | 0.157 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 174.6 | 170.9 | 81.6 | 0 | 0 | 0 | 111.2 | C41 H47 I49 R53 F54 P55 I59 K60 C61 | C41-H57 WeakPolarHBondContact CB-NE2 3.36Å; C41-H57 PolarHBondContact SG-NE2 3.19Å; H47-H57 AromaticContact CG-CE1 3.86Å; H47-H57 AromaticContact ND1-CE1 3.58Å; H47-H57 AromaticContact ND1-NE2 3.93Å; I49-H57 VanDerWaalsContact CD1-CD2 3.44Å; I49-H57 WeakPolarHBondContact CD1-CD2 3.25Å; I49-H57 WeakPolarHBondContact CD1-NE2 3.15Å; I49-H57 HydrophobicContact CG1-CB 4.2Å; I49-H57 HydrophobicContact CG2-CB 4.04Å; R53-H57 PolarHBondContact O-N 3.31Å; F54-H57 WeakPolarHBondContact O-CB 3.16Å; F54-H57 PolarHBondContact O-N 3.25Å; F54-H57 VanDerWaalsContact O-N 3.09Å; P55-H57 VanDerWaalsContact C-N 3.33Å; P55-H57 PolarHBondContact O-N 2.82Å; H57-I59 VanDerWaalsContact C-N 3.3Å; H57-I59 PolarHBondContact O-N 3.11Å; H57-K60 PolarHBondContact O-N 3.5Å; H57-K60 VanDerWaalsContact O-N 3.12Å; H57-C61 VanDerWaalsContact O-CB 3.27Å; H57-C61 WeakPolarHBondContact O-CB 3.4Å; H57-C61 PolarHBondContact O-N 3.24Å |
| 58 | L | 92.4 | Very high | 92 | Very high | 9 Ų | 9 | 87.4 Ų | 87.4 | 5% | 0.047 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.5 | -42.3 | -179.6 | -66.6 | -175.3 | 0 | 0 | 0 | 112 | F43 F54 P55 K60 C61 R62 A79 L82 | F43-L58 HydrophobicContact CD2-CD2 4.36Å; F43-L58 HydrophobicContact CE2-CD2 4.17Å; F54-L58 HydrophobicContact CD1-CD1 3.94Å; F54-L58 HydrophobicContact CD1-CD2 4.48Å; F54-L58 HydrophobicContact CD1-CG 4.09Å; F54-L58 HydrophobicContact CE1-CD1 3.77Å; F54-L58 HydrophobicContact CE1-CD2 3.99Å; F54-L58 HydrophobicContact CE1-CG 4.02Å; F54-L58 HydrophobicContact CZ-CD2 4.06Å; F54-L58 WeakPolarHBondContact O-CG 3.4Å; F54-L58 PolarHBondContact O-N 3.47Å; P55-L58 PolarHBondContact O-N 2.92Å; L58-K60 VanDerWaalsContact C-N 3.32Å; L58-K60 PolarHBondContact O-N 2.8Å; L58-C61 PolarHBondContact O-N 3.36Å; L58-R62 WeakPolarHBondContact O-CB 3.47Å; L58-R62 PolarHBondContact O-N 3.45Å; L58-A79 WeakPolarHBondContact CD1-O 3.24Å; L58-L82 HydrophobicContact CD1-CD1 3.88Å; L58-L82 HydrophobicContact CD1-CD2 4.49Å; L58-L82 HydrophobicContact CD1-CG 4.02Å; L58-L82 HydrophobicContact CD2-CD1 3.56Å; L58-L82 HydrophobicContact CG-CD1 4.27Å |
| 59 | I | 92 | Very high | 91.7 | Very high | 91 Ų | 91 | 81.3 Ų | 81.3 | 47% | 0.467 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.1 | -42 | 178.3 | -62.9 | 167.4 | 0 | 0 | 0 | 111.6 | P55 H57 | P55-I59 PolarHBondContact O-N 2.99Å; H57-I59 VanDerWaalsContact C-N 3.3Å; H57-I59 PolarHBondContact O-N 3.11Å |
| 60 | K | 92.8 | Very high | 91.5 | Very high | 146 Ų | 146 | 83.2 Ų | 83.2 | 64% | 0.635 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -75.8 | -47.7 | -179.7 | -67.3 | -176.6 | -179 | -173.9 | 0 | 111.5 | Y56 H57 L58 R62 K63 | Y56-K60 PolarHBondContact O-N 2.7Å; H57-K60 PolarHBondContact O-N 3.5Å; H57-K60 VanDerWaalsContact O-N 3.12Å; L58-K60 VanDerWaalsContact C-N 3.32Å; L58-K60 PolarHBondContact O-N 2.8Å; K60-R62 VanDerWaalsContact C-N 3.28Å; K60-R62 PolarHBondContact O-N 3.02Å; K60-K63 WeakPolarHBondContact O-CB 3.46Å; K60-K63 PolarHBondContact O-N 3.17Å; K60-K63 VanDerWaalsContact O-N 3.09Å |
| 61 | C | 92.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 82 Ų | 82 | 3% | 0.027 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63 | -36.9 | -177.6 | -164.9 | 0 | 0 | 0 | 0 | 111.3 | F43 H57 L58 K63 N64 H65 | F43-C61 HydrophobicContact CD2-CB 4.09Å; H57-C61 VanDerWaalsContact O-CB 3.27Å; H57-C61 WeakPolarHBondContact O-CB 3.4Å; H57-C61 PolarHBondContact O-N 3.24Å; L58-C61 PolarHBondContact O-N 3.36Å; C61-K63 PolarHBondContact O-N 2.75Å; C61-N64 PolarHBondContact O-N 2.86Å; C61-H65 PolarHBondContact O-CD2 3.21Å; C61-H65 PolarHBondContact O-N 3.09Å; C61-H65 VanDerWaalsContact O-N 3.16Å |
| 62 | R | 91.9 | Very high | 91.3 | Very high | 118 Ų | 118 | 83 Ų | 83 | 45% | 0.445 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -55.5 | -35.8 | 173.9 | -170.6 | 179.7 | 71 | -178.1 | 2.2 | 113.4 | F43 L58 K60 N64 A69 | F43-R62 HydrophobicContact CE2-CB 4.02Å; F43-R62 HydrophobicContact CZ-CB 4.08Å; F43-R62 HydrophobicContact CZ-CG 4.13Å; L58-R62 WeakPolarHBondContact O-CB 3.47Å; L58-R62 PolarHBondContact O-N 3.45Å; K60-R62 VanDerWaalsContact C-N 3.28Å; K60-R62 PolarHBondContact O-N 3.02Å; R62-N64 VanDerWaalsContact C-N 3.29Å; R62-N64 PolarHBondContact O-N 3.17Å; R62-A69 HydrophobicContact CG-CB 3.36Å |
| 63 | K | 91.4 | Very high | 91.4 | Very high | 154 Ų | 154 | 84 Ų | 84 | 67% | 0.67 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -68.3 | -31.3 | 178.2 | -63 | -179.3 | -179.5 | -173.8 | 0 | 112.1 | K60 C61 | K60-K63 WeakPolarHBondContact O-CB 3.46Å; K60-K63 PolarHBondContact O-N 3.17Å; K60-K63 VanDerWaalsContact O-N 3.09Å; C61-K63 PolarHBondContact O-N 2.75Å |
| 64 | N | 91.4 | Very high | 91.4 | Very high | 125 Ų | 125 | 78.7 Ų | 78.7 | 67% | 0.668 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -83 | -22.7 | -178.3 | -63.2 | -3 | 0 | 0 | 0 | 112.5 | C61 R62 P66 | C61-N64 PolarHBondContact O-N 2.86Å; R62-N64 VanDerWaalsContact C-N 3.29Å; R62-N64 PolarHBondContact O-N 3.17Å; N64-P66 VanDerWaalsContact C-CD 3.44Å; N64-P66 VanDerWaalsContact O-CD 3.29Å; N64-P66 WeakPolarHBondContact O-CD 3.38Å |
| 65 | H | 91.3 | Very high | 91.4 | Very high | 58 Ų | 58 | 78.6 Ų | 78.6 | 27% | 0.269 | 38% | 0.383 | S | S | . | . | trans | -120 | 68.4 | -178.8 | -59.6 | -85.3 | 0 | 0 | 0 | 112 | F43 C61 K67 L68 A69 | F43-H65 HydrophobicContact CB-CB 4.29Å; C61-H65 PolarHBondContact O-CD2 3.21Å; C61-H65 PolarHBondContact O-N 3.09Å; C61-H65 VanDerWaalsContact O-N 3.16Å; H65-K67 VanDerWaalsContact C-N 3.27Å; H65-K67 PolarHBondContact O-N 2.69Å; H65-L68 PolarHBondContact O-N 3.39Å; H65-A69 VanDerWaalsContact O-CB 3.24Å; H65-A69 WeakPolarHBondContact O-CB 3.39Å; H65-A69 PolarHBondContact O-N 3.28Å | ||
| 66 | P | 90.2 | Very high | 91.4 | Very high | 91 Ų | 91 | 81.1 Ų | 81.1 | 59% | 0.591 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.5 | -28.8 | -173 | 24.7 | -34.8 | 0 | 0 | 0 | 114 | N64 S70 | N64-P66 VanDerWaalsContact C-CD 3.44Å; N64-P66 VanDerWaalsContact O-CD 3.29Å; N64-P66 WeakPolarHBondContact O-CD 3.38Å; P66-S70 PolarHBondContact O-N 3.17Å; P66-S70 VanDerWaalsContact O-N 3.1Å |
| 67 | K | 89.6 | Confident | 91.2 | Very high | 173 Ų | 173 | 78.1 Ų | 78.1 | 75% | 0.752 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.1 | -57.4 | 178.4 | -63 | -177.2 | -179.3 | -179.2 | 0 | 111.1 | H65 A69 S70 | H65-K67 VanDerWaalsContact C-N 3.27Å; H65-K67 PolarHBondContact O-N 2.69Å; K67-A69 VanDerWaalsContact C-N 3.32Å; K67-A69 PolarHBondContact O-N 2.89Å; K67-S70 WeakPolarHBondContact O-CB 3.47Å; K67-S70 PolarHBondContact O-N 2.85Å; K67-S70 PolarHBondContact O-OG 2.76Å |
| 68 | L | 88.4 | Confident | 91 | Very high | 62 Ų | 62 | 77.9 Ų | 77.9 | 33% | 0.325 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.4 | -34.2 | 177.5 | -63.2 | 176.3 | 0 | 0 | 0 | 112.1 | F43 H65 S70 E71 L72 | F43-L68 HydrophobicContact CD1-CB 3.79Å; F43-L68 HydrophobicContact CE1-CB 4.28Å; F43-L68 WeakPolarHBondContact O-CD1 3.46Å; H65-L68 PolarHBondContact O-N 3.39Å; L68-S70 PolarHBondContact O-N 2.94Å; L68-E71 PolarHBondContact O-N 3.34Å; L68-L72 PolarHBondContact O-N 2.99Å |
| 69 | A | 88.6 | Confident | 90.7 | Very high | 20 Ų | 20 | 80 Ų | 80 | 17% | 0.165 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.3 | -25.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R62 H65 K67 | R62-A69 HydrophobicContact CG-CB 3.36Å; H65-A69 VanDerWaalsContact O-CB 3.24Å; H65-A69 WeakPolarHBondContact O-CB 3.39Å; H65-A69 PolarHBondContact O-N 3.28Å; K67-A69 VanDerWaalsContact C-N 3.32Å; K67-A69 PolarHBondContact O-N 2.89Å |
| 70 | S | 88.5 | Confident | 90.5 | Very high | 60 Ų | 60 | 79 Ų | 79 | 42% | 0.42 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -79.2 | -24 | 175 | 83.9 | 0 | 0 | 0 | 0 | 112.3 | P66 K67 L68 K85 | P66-S70 PolarHBondContact O-N 3.17Å; P66-S70 VanDerWaalsContact O-N 3.1Å; K67-S70 WeakPolarHBondContact O-CB 3.47Å; K67-S70 PolarHBondContact O-N 2.85Å; K67-S70 PolarHBondContact O-OG 2.76Å; L68-S70 PolarHBondContact O-N 2.94Å; S70-K85 VanDerWaalsContact O-CD 3.24Å; S70-K85 WeakPolarHBondContact O-CD 3.48Å; S70-K85 WeakPolarHBondContact O-CE 3.35Å; S70-K85 PolarHBondContact O-NZ 3.42Å |
| 71 | E | 91.1 | Very high | 90.4 | Very high | 111 Ų | 111 | 74.6 Ų | 74.6 | 52% | 0.519 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -92.2 | -36.9 | -178.1 | -68.2 | 167 | -162.8 | 0 | 0 | 111.6 | L68 P84 K85 | L68-E71 PolarHBondContact O-N 3.34Å; E71-P84 WeakPolarHBondContact O-CA 3.29Å; E71-K85 WeakPolarHBondContact O-CG 3.44Å; E71-K85 PolarHBondContact O-N 2.83Å |
| 72 | L | 92.1 | Very high | 90.4 | Very high | 32 Ų | 32 | 75.9 Ų | 75.9 | 17% | 0.168 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 138.7 | -178.1 | -60 | 172.6 | 0 | 0 | 0 | 111.8 | P42 F43 L68 P84 | P42-L72 HydrophobicContact CB-CD1 4.41Å; F43-L72 HydrophobicContact CD1-CD1 4.19Å; F43-L72 HydrophobicContact CE1-CB 4.38Å; F43-L72 HydrophobicContact CE1-CD1 3.89Å; L68-L72 PolarHBondContact O-N 2.99Å; L72-P84 HydrophobicContact CD2-CG 4.13Å |
| 73 | K | 91.5 | Very high | 90.4 | Very high | 97 Ų | 97 | 71 Ų | 71 | 42% | 0.422 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 150.5 | 173.9 | -71 | -66.7 | -173.4 | 174.3 | 0 | 110.5 | L82 V83 K85 L88 | K73-L82 WeakPolarHBondContact O-CA 2.81Å; K73-V83 PolarHBondContact N-O 2.94Å; K73-V83 PolarHBondContact O-N 2.91Å; K73-K85 VanDerWaalsContact CE-CE 3.49Å; K73-K85 HydrophobicContact CG-CG 3.59Å; K73-L88 HydrophobicContact CB-CD1 4.48Å; K73-L88 HydrophobicContact CB-CD2 3.94Å; K73-L88 HydrophobicContact CG-CD2 4.43Å |
| 74 | T | 92.7 | Very high | 90.5 | Very high | 56 Ų | 56 | 65.4 Ų | 65.4 | 34% | 0.344 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 137.1 | 177.1 | -52 | 0 | 0 | 0 | 0 | 109.5 | A79 H81 | T74-A79 HydrophobicContact CG2-CB 4.45Å; T74-H81 WeakPolarHBondContact CA-O 3.24Å |
| 75 | C | 93.1 | Very high | 90.5 | Very high | 6 Ų | 6 | 64.8 Ų | 64.8 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | trans | -62.9 | 142 | 173.7 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | F77 N78 H81 H91 | C75-F77 VanDerWaalsContact C-N 3.3Å; C75-F77 PolarHBondContact O-N 3.2Å; C75-F77 PolarHBondContact SG-N 3.16Å; C75-N78 WeakPolarHBondContact CB-O 3.45Å; C75-H81 HydrophobicContact CB-CB 3.55Å; C75-H81 PolarHBondContact N-O 2.66Å; C75-H91 WeakPolarHBondContact CB-NE2 3.47Å; C75-H91 VanDerWaalsContact SG-CD2 3.56Å; C75-H91 PolarHBondContact SG-NE2 3.34Å | ||
| 76 | P | 90.4 | Very high | 90.6 | Very high | 96 Ų | 96 | 68.9 Ų | 68.9 | 62% | 0.623 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -63.5 | -30.9 | 173.9 | -22.1 | 33.4 | 0 | 0 | 0 | 114.4 | T92 | P76-T92 HydrophobicContact CG-CG2 4Š|
| 77 | F | 90.1 | Very high | 90.7 | Very high | 97 Ų | 97 | 69 Ų | 69 | 43% | 0.425 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -90.6 | -33.3 | -173.4 | -52.3 | -63.5 | 0 | 0 | 0 | 112.8 | C75 T92 C95 D97 R98 | C75-F77 VanDerWaalsContact C-N 3.3Å; C75-F77 PolarHBondContact O-N 3.2Å; C75-F77 PolarHBondContact SG-N 3.16Å; F77-T92 HydrophobicContact CE2-CG2 4.29Å; F77-C95 HydrophobicContact CD2-CB 4.12Å; F77-D97 HydrophobicContact CB-CB 4.34Å; F77-R98 HydrophobicContact CD2-CB 4.11Å; F77-R98 HydrophobicContact CD2-CG 4.46Å; F77-R98 HydrophobicContact CE1-CG 4.4Å; F77-R98 HydrophobicContact CE2-CB 4.18Å; F77-R98 HydrophobicContact CE2-CG 4.08Å; F77-R98 HydrophobicContact CG-CB 4.44Å; F77-R98 HydrophobicContact CZ-CG 4.05Å |
| 78 | N | 89.1 | Confident | 90.9 | Very high | 29 Ų | 29 | 62.8 Ų | 62.8 | 16% | 0.155 | 33% | 0.327 | C | S | . | . | trans | -137.4 | 118.9 | 178.2 | -171.6 | -16.9 | 0 | 0 | 0 | 112 | C75 R80 H81 D97 | C75-N78 WeakPolarHBondContact CB-O 3.45Å; N78-R80 PolarHBondContact O-N 2.96Å; N78-R80 VanDerWaalsContact O-N 3.09Å; N78-R80 VanDerWaalsContact OD1-CB 3.28Å; N78-R80 WeakPolarHBondContact OD1-CB 3.45Å; N78-R80 WeakPolarHBondContact OD1-CG 3.27Å; N78-R80 PolarHBondContact OD1-N 3.22Å; N78-H81 PolarHBondContact O-N 3.1Å; N78-H81 VanDerWaalsContact O-N 3.09Å; N78-D97 HydrophobicContact CB-CB 4.09Å; N78-D97 WeakPolarHBondContact CB-OD2 3.13Å; N78-D97 PolarHBondContact ND2-OD2 3.37Å | ||
| 79 | A | 86.8 | Confident | 91.1 | Very high | 53 Ų | 53 | 62.8 Ų | 62.8 | 44% | 0.438 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -13.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P55 L58 T74 | P55-A79 HydrophobicContact CB-CB 4.46Å; L58-A79 WeakPolarHBondContact CD1-O 3.24Å; T74-A79 HydrophobicContact CG2-CB 4.45Å |
| 80 | R | 87.5 | Confident | 91.4 | Very high | 70 Ų | 70 | 69.3 Ų | 69.3 | 26% | 0.264 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -23.9 | 175.8 | -62.8 | 169.6 | 57.8 | -170.4 | -8 | 112.4 | C33 L39 S51 F54 P55 N78 L82 | C33-R80 PolarHBondContact SG-NH1 3.44Å; L39-R80 VanDerWaalsContact CD1-NH2 3.32Å; S51-R80 PolarHBondContact OG-NH1 3.23Å; F54-R80 HydrophobicContact CD1-CB 4.19Å; F54-R80 HydrophobicContact CD1-CG 4.07Å; F54-R80 HydrophobicContact CE1-CB 4.45Å; P55-R80 HydrophobicContact CG-CG 4.34Å; N78-R80 PolarHBondContact O-N 2.96Å; N78-R80 VanDerWaalsContact O-N 3.09Å; N78-R80 VanDerWaalsContact OD1-CB 3.28Å; N78-R80 WeakPolarHBondContact OD1-CB 3.45Å; N78-R80 WeakPolarHBondContact OD1-CG 3.27Å; N78-R80 PolarHBondContact OD1-N 3.22Å; R80-L82 PolarHBondContact O-N 3.03Å |
| 81 | H | 90.5 | Very high | 91.7 | Very high | 54 Ų | 54 | 68 Ų | 68 | 25% | 0.25 | 34% | 0.344 | C | S | . | . | trans | -79.8 | 119.2 | -179.6 | -65.3 | 167.8 | 0 | 0 | 0 | 110.4 | T74 C75 N78 H91 D97 | T74-H81 WeakPolarHBondContact CA-O 3.24Å; C75-H81 HydrophobicContact CB-CB 3.55Å; C75-H81 PolarHBondContact N-O 2.66Å; N78-H81 PolarHBondContact O-N 3.1Å; N78-H81 VanDerWaalsContact O-N 3.09Å; H81-H91 AromaticContact ND1-CE1 3.5Å; H81-H91 PolarHBondContact ND1-CE1 3.46Å; H81-H91 AromaticContact ND1-NE2 3.54Å; H81-D97 IonicContact CE1-OD2 3.39Å; H81-D97 PolarHBondContact CE1-OD2 3.32Å; H81-D97 IonicContact ND1-OD2 3.69Å; H81-D97 IonicContact NE2-OD2 3.83Å | ||
| 82 | L | 91.3 | Very high | 91.7 | Very high | 31 Ų | 31 | 64.4 Ų | 64.4 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 116.4 | 171.8 | -73.6 | 174.9 | 0 | 0 | 0 | 108.5 | P42 F43 L58 K73 R80 | P42-L82 HydrophobicContact CB-CD1 3.98Å; P42-L82 HydrophobicContact CG-CB 4.32Å; P42-L82 HydrophobicContact CG-CD1 3.7Å; F43-L82 HydrophobicContact CD2-CD1 4.36Å; F43-L82 HydrophobicContact CE2-CD1 3.7Å; F43-L82 HydrophobicContact CZ-CD1 3.83Å; F43-L82 HydrophobicContact CZ-CD2 4.3Å; L58-L82 HydrophobicContact CD1-CD1 3.88Å; L58-L82 HydrophobicContact CD1-CD2 4.49Å; L58-L82 HydrophobicContact CD1-CG 4.02Å; L58-L82 HydrophobicContact CD2-CD1 3.56Å; L58-L82 HydrophobicContact CG-CD1 4.27Å; K73-L82 WeakPolarHBondContact O-CA 2.81Å; R80-L82 PolarHBondContact O-N 3.03Å |
| 83 | V | 92 | Very high | 91.6 | Very high | 15 Ų | 15 | 69.5 Ų | 69.5 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.1 | -171.8 | -174.6 | 0 | 0 | 0 | 0 | 109 | K73 E87 L88 H91 | K73-V83 PolarHBondContact N-O 2.94Å; K73-V83 PolarHBondContact O-N 2.91Å; V83-E87 HydrophobicContact CG1-CB 3.76Å; V83-L88 HydrophobicContact CB-CD1 4.35Å; V83-H91 HydrophobicContact CG1-CB 3.95Å; V83-H91 HydrophobicContact CG2-CB 4.19Å |
| 84 | P | 93.9 | Very high | 91.5 | Very high | 37 Ų | 37 | 68.3 Ų | 68.3 | 24% | 0.24 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 144.9 | 171.4 | -25.7 | 35.7 | 0 | 0 | 0 | 112.2 | E71 L72 H86 E87 L88 | E71-P84 WeakPolarHBondContact O-CA 3.29Å; L72-P84 HydrophobicContact CD2-CG 4.13Å; P84-H86 WeakPolarHBondContact CB-CE1 3.48Å; P84-H86 PolarHBondContact O-N 2.77Å; P84-H86 VanDerWaalsContact O-N 3.15Å; P84-E87 HydrophobicContact CB-CB 4.46Å; P84-E87 PolarHBondContact O-N 3.09Å; P84-L88 PolarHBondContact O-N 3Å; P84-L88 VanDerWaalsContact O-N 3.09Å |
| 85 | K | 91.6 | Very high | 91.5 | Very high | 113 Ų | 113 | 66 Ų | 66 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -41 | -178.5 | -82.1 | 173.3 | 166 | 170.5 | 0 | 114.2 | S70 E71 K73 | S70-K85 VanDerWaalsContact O-CD 3.24Å; S70-K85 WeakPolarHBondContact O-CD 3.48Å; S70-K85 WeakPolarHBondContact O-CE 3.35Å; S70-K85 PolarHBondContact O-NZ 3.42Å; E71-K85 WeakPolarHBondContact O-CG 3.44Å; E71-K85 PolarHBondContact O-N 2.83Å; K73-K85 VanDerWaalsContact CE-CE 3.49Å; K73-K85 HydrophobicContact CG-CG 3.59Å |
| 86 | H | 92.8 | Very high | 91.2 | Very high | 144 Ų | 144 | 74.5 Ų | 74.5 | 67% | 0.667 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -27.4 | -177 | 64.7 | -78.2 | 0 | 0 | 0 | 112.8 | P84 | P84-H86 WeakPolarHBondContact CB-CE1 3.48Å; P84-H86 PolarHBondContact O-N 2.77Å; P84-H86 VanDerWaalsContact O-N 3.15Å |
| 87 | E | 94.1 | Very high | 91 | Very high | 93 Ų | 93 | 73.1 Ų | 73.1 | 44% | 0.435 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -10.1 | 179.1 | -84.5 | 159.1 | -148.5 | 0 | 0 | 113.2 | V83 P84 A89 Y90 H91 | V83-E87 HydrophobicContact CG1-CB 3.76Å; P84-E87 HydrophobicContact CB-CB 4.46Å; P84-E87 PolarHBondContact O-N 3.09Å; E87-A89 VanDerWaalsContact C-N 3.29Å; E87-A89 PolarHBondContact O-N 3.34Å; E87-Y90 PolarHBondContact O-N 2.87Å; E87-H91 WeakPolarHBondContact O-CB 3.47Å; E87-H91 PolarHBondContact O-N 3.04Å |
| 88 | L | 93.6 | Very high | 90.8 | Very high | 42 Ų | 42 | 74.8 Ų | 74.8 | 22% | 0.22 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.2 | -39.7 | -174.9 | -175.1 | 65.7 | 0 | 0 | 0 | 112.7 | K73 V83 P84 H91 T92 | K73-L88 HydrophobicContact CB-CD1 4.48Å; K73-L88 HydrophobicContact CB-CD2 3.94Å; K73-L88 HydrophobicContact CG-CD2 4.43Å; V83-L88 HydrophobicContact CB-CD1 4.35Å; P84-L88 PolarHBondContact O-N 3Å; P84-L88 VanDerWaalsContact O-N 3.09Å; L88-H91 PolarHBondContact O-N 3.18Å; L88-T92 WeakPolarHBondContact O-CG2 3.35Å; L88-T92 PolarHBondContact O-N 2.96Å; L88-T92 PolarHBondContact O-OG1 2.94Å |
| 89 | A | 92.1 | Very high | 90.3 | Very high | 63 Ų | 63 | 80.6 Ų | 80.6 | 52% | 0.521 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.7 | -48.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E87 H91 T92 E93 | E87-A89 VanDerWaalsContact C-N 3.29Å; E87-A89 PolarHBondContact O-N 3.34Å; A89-H91 VanDerWaalsContact C-N 3.33Å; A89-H91 PolarHBondContact O-N 3.09Å; A89-T92 PolarHBondContact O-N 3.3Å; A89-T92 PolarHBondContact O-OG1 3.45Å; A89-E93 PolarHBondContact O-N 3.09Å |
| 90 | Y | 94.3 | Very high | 89.3 | Confident | 157 Ų | 157 | 81.2 Ų | 81.2 | 62% | 0.616 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.4 | -41.9 | 175.5 | 177.2 | -101 | 0 | 0 | 0 | 111.7 | E87 T92 E93 T94 | E87-Y90 PolarHBondContact O-N 2.87Å; Y90-T92 VanDerWaalsContact C-N 3.33Å; Y90-T92 PolarHBondContact O-N 2.96Å; Y90-E93 PolarHBondContact O-N 3.2Å; Y90-T94 HydrophobicContact CD2-CG2 4.46Å; Y90-T94 HydrophobicContact CE1-CG2 4.2Å; Y90-T94 HydrophobicContact CE2-CG2 3.93Å; Y90-T94 PolarHBondContact O-N 3.24Å; Y90-T94 VanDerWaalsContact O-N 3.17Å; Y90-T94 PolarHBondContact O-OG1 3.31Å |
| 91 | H | 94.6 | Very high | 88.1 | Confident | 31 Ų | 31 | 84 Ų | 84 | 14% | 0.144 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 175.4 | 175.9 | 72.9 | 0 | 0 | 0 | 111.9 | C75 H81 V83 E87 L88 A89 E93 T94 C95 | C75-H91 WeakPolarHBondContact CB-NE2 3.47Å; C75-H91 VanDerWaalsContact SG-CD2 3.56Å; C75-H91 PolarHBondContact SG-NE2 3.34Å; H81-H91 AromaticContact ND1-CE1 3.5Å; H81-H91 PolarHBondContact ND1-CE1 3.46Å; H81-H91 AromaticContact ND1-NE2 3.54Å; V83-H91 HydrophobicContact CG1-CB 3.95Å; V83-H91 HydrophobicContact CG2-CB 4.19Å; E87-H91 WeakPolarHBondContact O-CB 3.47Å; E87-H91 PolarHBondContact O-N 3.04Å; L88-H91 PolarHBondContact O-N 3.18Å; A89-H91 VanDerWaalsContact C-N 3.33Å; A89-H91 PolarHBondContact O-N 3.09Å; H91-E93 PolarHBondContact O-N 3.44Å; H91-T94 CarbonylContact O-C 3.43Å; H91-T94 PolarHBondContact O-N 3.33Å; H91-C95 WeakPolarHBondContact O-CA 3.34Å; H91-C95 WeakPolarHBondContact O-CB 3.4Å; H91-C95 PolarHBondContact O-N 3.34Å |
| 92 | T | 91.2 | Very high | 86.1 | Confident | 37 Ų | 37 | 87.1 Ų | 87.1 | 23% | 0.227 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.4 | -26.8 | 179.1 | 48.2 | 0 | 0 | 0 | 0 | 113.3 | P76 F77 L88 A89 Y90 R98 | P76-T92 HydrophobicContact CG-CG2 4Å; F77-T92 HydrophobicContact CE2-CG2 4.29Å; L88-T92 WeakPolarHBondContact O-CG2 3.35Å; L88-T92 PolarHBondContact O-N 2.96Å; L88-T92 PolarHBondContact O-OG1 2.94Å; A89-T92 PolarHBondContact O-N 3.3Å; A89-T92 PolarHBondContact O-OG1 3.45Å; Y90-T92 VanDerWaalsContact C-N 3.33Å; Y90-T92 PolarHBondContact O-N 2.96Å; T92-R98 WeakPolarHBondContact O-CD 3.28Å |
| 93 | E | 90.8 | Very high | 84.3 | Confident | 139 Ų | 139 | 91.5 Ų | 91.5 | 65% | 0.65 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -80.3 | -31.5 | 176.5 | -65.7 | 173.3 | -176.2 | 0 | 0 | 112.3 | A89 Y90 H91 | A89-E93 PolarHBondContact O-N 3.09Å; Y90-E93 PolarHBondContact O-N 3.2Å; H91-E93 PolarHBondContact O-N 3.44Å |
| 94 | T | 90.3 | Very high | 82.3 | Confident | 72 Ų | 72 | 99.2 Ų | 99.2 | 44% | 0.442 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -109.1 | 2.6 | -171.6 | 54.9 | 0 | 0 | 0 | 0 | 114.6 | Y90 H91 E96 | Y90-T94 HydrophobicContact CD2-CG2 4.46Å; Y90-T94 HydrophobicContact CE1-CG2 4.2Å; Y90-T94 HydrophobicContact CE2-CG2 3.93Å; Y90-T94 PolarHBondContact O-N 3.24Å; Y90-T94 VanDerWaalsContact O-N 3.17Å; Y90-T94 PolarHBondContact O-OG1 3.31Å; H91-T94 CarbonylContact O-C 3.43Å; H91-T94 PolarHBondContact O-N 3.33Å; T94-E96 PolarHBondContact O-N 3.5Å |
| 95 | C | 90.9 | Very high | 80.4 | Confident | 8 Ų | 8 | 104.5 Ų | 104.5 | 5% | 0.054 | 53% | 0.534 | C | S | . | . | trans | -63.7 | 128.5 | -175.5 | -178 | 0 | 0 | 0 | 0 | 111.2 | F77 H91 D97 R98 | F77-C95 HydrophobicContact CD2-CB 4.12Å; H91-C95 WeakPolarHBondContact O-CA 3.34Å; H91-C95 WeakPolarHBondContact O-CB 3.4Å; H91-C95 PolarHBondContact O-N 3.34Å; C95-D97 VanDerWaalsContact C-N 3.26Å; C95-D97 PolarHBondContact O-N 3.43Å; C95-R98 HydrophobicContact CB-CB 4.21Å; C95-R98 WeakPolarHBondContact O-CB 3.42Å; C95-R98 PolarHBondContact O-N 2.8Å | ||
| 96 | E | 87.7 | Confident | 78.3 | Confident | 184 Ų | 184 | 104 Ų | 104 | 86% | 0.86 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -35.7 | 178 | -62 | 170.7 | -169.1 | 0 | 0 | 112.3 | T94 R98 | T94-E96 PolarHBondContact O-N 3.5Å; E96-R98 PolarHBondContact O-N 3.12Å |
| 97 | D | 86 | Confident | 76.3 | Confident | 66 Ų | 66 | 100.3 Ų | 100.3 | 35% | 0.353 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82 | 4.2 | 177.3 | -56.7 | -62.6 | 0 | 0 | 0 | 113.7 | F77 N78 H81 C95 I99 | F77-D97 HydrophobicContact CB-CB 4.34Å; N78-D97 HydrophobicContact CB-CB 4.09Å; N78-D97 WeakPolarHBondContact CB-OD2 3.13Å; N78-D97 PolarHBondContact ND2-OD2 3.37Å; H81-D97 IonicContact CE1-OD2 3.39Å; H81-D97 PolarHBondContact CE1-OD2 3.32Å; H81-D97 IonicContact ND1-OD2 3.69Å; H81-D97 IonicContact NE2-OD2 3.83Å; C95-D97 VanDerWaalsContact C-N 3.26Å; C95-D97 PolarHBondContact O-N 3.43Å; D97-I99 PolarHBondContact O-N 2.92Å |
| 98 | R | 86.5 | Confident | 74.3 | Confident | 133 Ų | 133 | 100.8 Ų | 100.8 | 50% | 0.502 | 57% | 0.565 | S | S | . | * | trans | -73.7 | 97.6 | 174.1 | -179.3 | 170.1 | 175.8 | -108.7 | -1.9 | 108.2 | F77 T92 C95 E96 S100 | F77-R98 HydrophobicContact CD2-CB 4.11Å; F77-R98 HydrophobicContact CD2-CG 4.46Å; F77-R98 HydrophobicContact CE1-CG 4.4Å; F77-R98 HydrophobicContact CE2-CB 4.18Å; F77-R98 HydrophobicContact CE2-CG 4.08Å; F77-R98 HydrophobicContact CG-CB 4.44Å; F77-R98 HydrophobicContact CZ-CG 4.05Å; T92-R98 WeakPolarHBondContact O-CD 3.28Å; C95-R98 HydrophobicContact CB-CB 4.21Å; C95-R98 WeakPolarHBondContact O-CB 3.42Å; C95-R98 PolarHBondContact O-N 2.8Å; E96-R98 PolarHBondContact O-N 3.12Å; R98-S100 PolarHBondContact O-N 3.36Å; R98-S100 VanDerWaalsContact O-N 3.09Å | ||
| 99 | I | 78.8 | Confident | 72.3 | Confident | 150 Ų | 150 | 109.5 Ų | 109.5 | 77% | 0.769 | 60% | 0.595 | S | S | * | * | trans | -68.3 | 107.7 | 171.2 | -56 | 171 | 0 | 0 | 0 | 107.1 | D97 V101 | D97-I99 PolarHBondContact O-N 2.92Å; I99-V101 PolarHBondContact O-N 3.09Å | ||
| 100 | S | 65.6 | Low | 70.7 | Confident | 67 Ų | 67 | 115 Ų | 115 | 47% | 0.469 | 62% | 0.616 | S | S | . | * | trans | -64.9 | 116.4 | 167.1 | 53.5 | 0 | 0 | 0 | 0 | 107.2 | R98 D102 | R98-S100 PolarHBondContact O-N 3.36Å; R98-S100 VanDerWaalsContact O-N 3.09Å; S100-D102 WeakPolarHBondContact CB-OD2 3.43Å; S100-D102 PolarHBondContact O-N 3.48Å; S100-D102 PolarHBondContact OG-OD2 2.94Å | ||
| 101 | V | 60.8 | Low | 68.6 | Low | 128 Ų | 128 | 110.3 Ų | 110.3 | 78% | 0.776 | 62% | 0.615 | S | S | * | * | trans | -76.7 | 73.2 | 161.5 | -171.5 | 0 | 0 | 0 | 0 | 105 | I99 T103 | I99-V101 PolarHBondContact O-N 3.09Å; V101-T103 PolarHBondContact O-N 2.98Å; V101-T103 PolarHBondContact O-OG1 3.09Å | ||
| 102 | D | 50.1 | Low | 66.7 | Low | 120 Ų | 120 | 117.4 Ų | 117.4 | 64% | 0.642 | 65% | 0.648 | S | S | * | * | trans | -63 | 107.5 | 172 | -84.3 | -47.4 | 0 | 0 | 0 | 106.9 | S100 E104 | S100-D102 WeakPolarHBondContact CB-OD2 3.43Å; S100-D102 PolarHBondContact O-N 3.48Å; S100-D102 PolarHBondContact OG-OD2 2.94Å; D102-E104 PolarHBondContact O-N 3.45Å | ||
| 103 | T | 52.5 | Low | 65.1 | Low | 123 Ų | 123 | 122 Ų | 122 | 76% | 0.755 | 68% | 0.675 | S | S | * | * | trans | -77.9 | 68.8 | 169.5 | -44.2 | 0 | 0 | 0 | 0 | 105.3 | V101 D105 | V101-T103 PolarHBondContact O-N 2.98Å; V101-T103 PolarHBondContact O-OG1 3.09Å; T103-D105 PolarHBondContact O-N 3.2Å; T103-D105 VanDerWaalsContact O-N 3.09Å | ||
| 104 | E | 51.3 | Low | 63.4 | Low | 176 Ų | 176 | 116.6 Ų | 116.6 | 82% | 0.822 | 66% | 0.657 | S | S | * | * | trans | -72.8 | 104.9 | 170.5 | 56.6 | -175.4 | 163.8 | 0 | 0 | 108.5 | D102 A106 | D102-E104 PolarHBondContact O-N 3.45Å; E104-A106 PolarHBondContact O-N 3.46Å; E104-A106 VanDerWaalsContact O-N 3.12Å | ||
| 105 | D | 53.6 | Low | 61.9 | Low | 149 Ų | 149 | 124.2 Ų | 124.2 | 80% | 0.797 | 68% | 0.678 | S | S | * | * | trans | -41.3 | 106.7 | 164.2 | -96 | -51.2 | 0 | 0 | 0 | 111.9 | T103 | T103-D105 PolarHBondContact O-N 3.2Å; T103-D105 VanDerWaalsContact O-N 3.09Å | ||
| 106 | A | 46.4 | Very low | 60.7 | Low | 102 Ų | 102 | 131 Ų | 131 | 84% | 0.843 | 71% | 0.713 | S | S | * | * | trans | -97.1 | 92.4 | 143.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | E104 S108 | E104-A106 PolarHBondContact O-N 3.46Å; E104-A106 VanDerWaalsContact O-N 3.12Å; A106-S108 PolarHBondContact O-N 3.12Å | ||
| 107 | G | 52.2 | Low | 60.1 | Low | 67 Ų | 67 | 127.3 Ų | 127.3 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | trans | -45.3 | 128.9 | -158.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 108 | S | 51.1 | Low | 59.5 | Low | 102 Ų | 102 | 129.7 Ų | 129.7 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | trans | -161.6 | 104.2 | 148.4 | -151.8 | 0 | 0 | 0 | 0 | 110.5 | A106 | A106-S108 PolarHBondContact O-N 3.12Š| ||
| 109 | R | 50.8 | Low | 59 | Low | 225 Ų | 225 | 129.4 Ų | 129.4 | 85% | 0.849 | 74% | 0.735 | S | S | * | * | trans | 38.5 | 112.9 | 142.3 | -57.7 | 170.5 | 65 | -159.3 | -0.7 | 116.7 | G111 | R109-G111 PolarHBondContact O-N 3.06Š| ||
| 110 | N | 60 | Low | 59 | Low | 180 Ų | 180 | 128.1 Ų | 128.1 | 96% | 0.963 | 73% | 0.73 | S | S | * | * | trans | 25 | 75.4 | 146.2 | -64.6 | -7.6 | 0 | 0 | 0 | 114.9 | ||||
| 111 | G | 50 | Low | 59.6 | Low | 57 Ų | 57 | 130.9 Ų | 130.9 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | trans | -143.5 | 110.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | R109 V113 | R109-G111 PolarHBondContact O-N 3.06Å; G111-V113 PolarHBondContact O-N 3.44Å; G111-V113 VanDerWaalsContact O-N 3.11Å | ||
| 112 | H | 54 | Low | 60.6 | Low | 181 Ų | 181 | 134.1 Ų | 134.1 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | -26.2 | 116 | 157.2 | 178.7 | -108.5 | 0 | 0 | 0 | 109.9 | G114 | H112-G114 WeakPolarHBondContact ND1-CA 3.38Å; H112-G114 PolarHBondContact ND1-N 3.29Å; H112-G114 PolarHBondContact O-N 3.11Å | ||
| 113 | V | 57.3 | Low | 61.8 | Low | 133 Ų | 133 | 133.3 Ų | 133.3 | 81% | 0.806 | 74% | 0.741 | S | S | * | * | trans | -71.4 | 66.5 | 169.7 | -168.4 | 0 | 0 | 0 | 0 | 106.6 | G111 W115 | G111-V113 PolarHBondContact O-N 3.44Å; G111-V113 VanDerWaalsContact O-N 3.11Å; V113-W115 PolarHBondContact O-N 2.7Å | ||
| 114 | G | 55.6 | Low | 63 | Low | 26 Ų | 26 | 131.1 Ų | 131.1 | 27% | 0.268 | 73% | 0.725 | S | S | . | * | trans | -67.3 | 118.3 | 171 | 0 | 0 | 0 | 0 | 0 | 105.5 | H112 D116 | H112-G114 WeakPolarHBondContact ND1-CA 3.38Å; H112-G114 PolarHBondContact ND1-N 3.29Å; H112-G114 PolarHBondContact O-N 3.11Å; G114-D116 PolarHBondContact O-N 2.83Å | ||
| 115 | W | 58.2 | Low | 64.2 | Low | 232 Ų | 232 | 128.4 Ų | 128.4 | 88% | 0.879 | 72% | 0.723 | S | S | * | * | trans | -60.5 | 79.7 | 152.7 | -80.4 | 45.7 | 0 | 0 | 0 | 106.9 | V113 V117 | V113-W115 PolarHBondContact O-N 2.7Å; W115-V117 PolarHBondContact O-N 2.74Å | ||
| 116 | D | 66.9 | Low | 65 | Low | 149 Ų | 149 | 124.1 Ų | 124.1 | 80% | 0.797 | 70% | 0.7 | S | S | * | * | trans | -72.7 | 81.7 | 169 | -83.6 | -14.4 | 0 | 0 | 0 | 105.9 | G114 P118 | G114-D116 PolarHBondContact O-N 2.83Å; D116-P118 WeakPolarHBondContact O-CD 3.2Å | ||
| 117 | V | 73.9 | Confident | 66 | Low | 107 Ų | 107 | 125.6 Ų | 125.6 | 65% | 0.648 | 69% | 0.691 | S | S | * | * | trans | -60.4 | 114.3 | 165.1 | -179.9 | 0 | 0 | 0 | 0 | 105.2 | W115 V119 | W115-V117 PolarHBondContact O-N 2.74Å; V117-V119 PolarHBondContact O-N 2.9Å | ||
| 118 | P | 74.9 | Confident | 67 | Low | 116 Ų | 116 | 128.2 Ų | 128.2 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | trans | -57 | 117.4 | 178.4 | -20.5 | 31.6 | 0 | 0 | 0 | 107.6 | D116 N120 | D116-P118 WeakPolarHBondContact O-CD 3.2Å; P118-N120 PolarHBondContact O-N 2.97Å | ||
| 119 | V | 74.5 | Confident | 67.9 | Low | 128 Ų | 128 | 129.8 Ų | 129.8 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | trans | -65.6 | 104.3 | 174.4 | 177 | 0 | 0 | 0 | 0 | 106.1 | V117 T121 | V117-V119 PolarHBondContact O-N 2.9Å; V119-T121 PolarHBondContact O-N 2.95Å | ||
| 120 | N | 78.9 | Confident | 69 | Low | 122 Ų | 122 | 121.7 Ų | 121.7 | 65% | 0.652 | 66% | 0.663 | S | S | * | * | trans | -62.5 | 109.2 | 172.8 | -179.2 | 25.9 | 0 | 0 | 0 | 108 | P118 W122 | P118-N120 PolarHBondContact O-N 2.97Å; N120-W122 PolarHBondContact O-N 3.22Å; N120-W122 WeakPolarHBondContact OD1-CB 3.1Å; N120-W122 PolarHBondContact OD1-N 2.81Å; N120-W122 VanDerWaalsContact OD1-N 3.11Å | ||
| 121 | T | 78.3 | Confident | 69.7 | Low | 125 Ų | 125 | 123.5 Ų | 123.5 | 77% | 0.767 | 66% | 0.657 | S | S | * | * | trans | -81.9 | 2.3 | 175.4 | 53.8 | 0 | 0 | 0 | 0 | 112.4 | V119 V123 | V119-T121 PolarHBondContact O-N 2.95Å; T121-V123 PolarHBondContact O-N 3.42Å | ||
| 122 | W | 82.1 | Confident | 70.8 | Confident | 197 Ų | 197 | 127.8 Ų | 127.8 | 75% | 0.746 | 67% | 0.666 | S | S | * | * | trans | -64.3 | 109.8 | 175.1 | -174.4 | -7 | 0 | 0 | 0 | 110 | N120 | N120-W122 PolarHBondContact O-N 3.22Å; N120-W122 WeakPolarHBondContact OD1-CB 3.1Å; N120-W122 PolarHBondContact OD1-N 2.81Å; N120-W122 VanDerWaalsContact OD1-N 3.11Å | ||
| 123 | V | 76.1 | Confident | 71.5 | Confident | 102 Ų | 102 | 125.6 Ų | 125.6 | 62% | 0.618 | 65% | 0.654 | S | S | * | * | trans | -98.5 | 131.1 | 166.3 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | T121 P125 M127 | T121-V123 PolarHBondContact O-N 3.42Å; V123-P125 WeakPolarHBondContact O-CD 3.36Å; V123-M127 HydrophobicContact CG1-CE 3.19Å | ||
| 124 | N | 76.1 | Confident | 71.8 | Confident | 78 Ų | 78 | 126 Ų | 126 | 42% | 0.417 | 65% | 0.647 | S | S | . | * | trans | -56.6 | 121.6 | 177.7 | -178.5 | 38.7 | 0 | 0 | 0 | 110.9 | N126 M127 | N124-N126 VanDerWaalsContact C-N 3.3Å; N124-N126 PolarHBondContact ND2-O 3.09Å; N124-N126 VanDerWaalsContact ND2-O 3.09Å; N124-N126 PolarHBondContact ND2-OD1 3.03Å; N124-N126 PolarHBondContact O-N 3.44Å; N124-N126 PolarHBondContact OD1-OD1 3.14Å; N124-M127 HydrophobicContact CB-CE 4.22Å; N124-M127 WeakPolarHBondContact O-CE 3.42Å | ||
| 125 | P | 76.4 | Confident | 72.1 | Confident | 119 Ų | 119 | 128.7 Ų | 128.7 | 77% | 0.773 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -70.3 | -21.8 | -176.6 | 25.6 | -33.3 | 0 | 0 | 0 | 113.7 | V123 M127 | V123-P125 WeakPolarHBondContact O-CD 3.36Å; P125-M127 PolarHBondContact O-N 3.11Å |
| 126 | N | 72.3 | Confident | 72.2 | Confident | 58 Ų | 58 | 124 Ų | 124 | 31% | 0.31 | 66% | 0.659 | S | S | . | * | trans | -97.3 | 78.9 | 174.6 | 87.6 | -33.2 | 0 | 0 | 0 | 111.8 | N124 T128 E129 | N124-N126 VanDerWaalsContact C-N 3.3Å; N124-N126 PolarHBondContact ND2-O 3.09Å; N124-N126 VanDerWaalsContact ND2-O 3.09Å; N124-N126 PolarHBondContact ND2-OD1 3.03Å; N124-N126 PolarHBondContact O-N 3.44Å; N124-N126 PolarHBondContact OD1-OD1 3.14Å; N126-T128 PolarHBondContact O-N 3.38Å; N126-E129 PolarHBondContact ND2-OE1 3.49Å; N126-E129 PolarHBondContact ND2-OE2 2.96Å | ||
| 127 | M | 67.3 | Low | 71.9 | Confident | 133 Ų | 133 | 123 Ų | 123 | 66% | 0.655 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 15.8 | 170.9 | -65.8 | -64.9 | -178.6 | 0 | 0 | 113.4 | V123 N124 P125 | V123-M127 HydrophobicContact CG1-CE 3.19Å; N124-M127 HydrophobicContact CB-CE 4.22Å; N124-M127 WeakPolarHBondContact O-CE 3.42Å; P125-M127 PolarHBondContact O-N 3.11Å |
| 128 | T | 71.8 | Confident | 71.4 | Confident | 122 Ų | 122 | 123.8 Ų | 123.8 | 75% | 0.748 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -13.6 | -173.1 | -25.7 | 0 | 0 | 0 | 0 | 112.7 | N126 D130 | N126-T128 PolarHBondContact O-N 3.38Å; T128-D130 PolarHBondContact O-N 3.44Å |
| 129 | E | 70.3 | Confident | 70.6 | Confident | 136 Ų | 136 | 126.3 Ų | 126.3 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | trans | -93.4 | 87.5 | 174 | -72.4 | 175.8 | 173.8 | 0 | 0 | 109.2 | N126 | N126-E129 PolarHBondContact ND2-OE1 3.49Å; N126-E129 PolarHBondContact ND2-OE2 2.96Å | ||
| 130 | D | 73.4 | Confident | 70.2 | Confident | 54 Ų | 54 | 125.4 Ų | 125.4 | 29% | 0.289 | 66% | 0.655 | S | S | . | * | trans | -93.3 | 108.7 | 171.5 | 45.8 | 4 | 0 | 0 | 0 | 110.9 | T128 D132 K133 | T128-D130 PolarHBondContact O-N 3.44Å; D130-D132 PolarHBondContact O-N 3.03Å; D130-K133 VanDerWaalsContact CG-CG 3.45Å; D130-K133 PolarHBondContact O-N 3.21Å; D130-K133 WeakPolarHBondContact OD1-CB 3.39Å; D130-K133 WeakPolarHBondContact OD2-CD 3.19Å; D130-K133 WeakPolarHBondContact OD2-CE 3.34Å; D130-K133 WeakPolarHBondContact OD2-CG 3.32Å; D130-K133 IonicContact OD2-NZ 2.64Å; D130-K133 PolarHBondContact OD2-NZ 3.45Å | ||
| 131 | W | 75.8 | Confident | 69.8 | Low | 219 Ų | 219 | 125 Ų | 125 | 83% | 0.83 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | -19.3 | 171.4 | -67.5 | 85.4 | 0 | 0 | 0 | 113 | ||
| 132 | D | 73.8 | Confident | 69.2 | Low | 146 Ų | 146 | 126.6 Ų | 126.6 | 78% | 0.781 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -26.3 | 174.6 | -82.2 | -8.3 | 0 | 0 | 0 | 114.1 | D130 | D130-D132 PolarHBondContact O-N 3.03Š|
| 133 | K | 67.4 | Low | 68.9 | Low | 136 Ų | 136 | 121.2 Ų | 121.2 | 59% | 0.591 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -17.3 | 179.6 | -71.3 | -172.6 | -167.7 | 130.2 | 0 | 114.2 | D130 A135 D136 | D130-K133 VanDerWaalsContact CG-CG 3.45Å; D130-K133 PolarHBondContact O-N 3.21Å; D130-K133 WeakPolarHBondContact OD1-CB 3.39Å; D130-K133 WeakPolarHBondContact OD2-CD 3.19Å; D130-K133 WeakPolarHBondContact OD2-CE 3.34Å; D130-K133 WeakPolarHBondContact OD2-CG 3.32Å; D130-K133 IonicContact OD2-NZ 2.64Å; D130-K133 PolarHBondContact OD2-NZ 3.45Å; K133-A135 PolarHBondContact O-N 3.37Å; K133-D136 PolarHBondContact O-N 3Å; K133-D136 VanDerWaalsContact O-N 3.14Å |
| 134 | E | 63.7 | Low | 68.4 | Low | 141 Ų | 141 | 127.1 Ų | 127.1 | 66% | 0.659 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -19.8 | 175.2 | -69.9 | -163.5 | 165.9 | 0 | 0 | 112.8 | D136 | E134-D136 VanDerWaalsContact C-N 3.27Å; E134-D136 PolarHBondContact O-N 2.71Å |
| 135 | A | 62.2 | Low | 67.9 | Low | 82 Ų | 82 | 127.1 Ų | 127.1 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -26.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K133 | K133-A135 PolarHBondContact O-N 3.37Š|
| 136 | D | 59.3 | Low | 67.2 | Low | 134 Ų | 134 | 126.2 Ų | 126.2 | 72% | 0.717 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -10.5 | -174.6 | -68.4 | -27.2 | 0 | 0 | 0 | 113.3 | K133 E134 V138 | K133-D136 PolarHBondContact O-N 3Å; K133-D136 VanDerWaalsContact O-N 3.14Å; E134-D136 VanDerWaalsContact C-N 3.27Å; E134-D136 PolarHBondContact O-N 2.71Å; D136-V138 PolarHBondContact O-N 3.09Å |
| 137 | N | 61.2 | Low | 66.5 | Low | 128 Ų | 128 | 126.7 Ų | 126.7 | 68% | 0.684 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -78.2 | 76 | 177 | -168 | 12.2 | 0 | 0 | 0 | 111.1 | Q139 | N137-Q139 PolarHBondContact O-N 2.97Š|
| 138 | V | 63.1 | Low | 66.2 | Low | 123 Ų | 123 | 126.1 Ų | 126.1 | 75% | 0.745 | 68% | 0.683 | S | S | * | * | trans | 38.3 | 50.7 | 154.7 | -160.1 | 0 | 0 | 0 | 0 | 113.6 | D136 T140 | D136-V138 PolarHBondContact O-N 3.09Å; V138-T140 PolarHBondContact O-N 3.09Å; V138-T140 VanDerWaalsContact O-N 3.09Å | ||
| 139 | Q | 59.4 | Low | 65.4 | Low | 170 Ų | 170 | 128.5 Ų | 128.5 | 79% | 0.794 | 68% | 0.683 | S | S | * | * | trans | -70.5 | 111.4 | 166.1 | -171.5 | 129.4 | -73.9 | 0 | 0 | 106.5 | N137 | N137-Q139 PolarHBondContact O-N 2.97Š| ||
| 140 | T | 64.7 | Low | 64.4 | Low | 109 Ų | 109 | 126.7 Ų | 126.7 | 67% | 0.669 | 68% | 0.677 | S | S | * | * | trans | -49.6 | 130.7 | 169.3 | 51.8 | 0 | 0 | 0 | 0 | 107.8 | V138 F142 | V138-T140 PolarHBondContact O-N 3.09Å; V138-T140 VanDerWaalsContact O-N 3.09Å; T140-F142 PolarHBondContact O-N 3.05Å | ||
| 141 | P | 71 | Confident | 63.4 | Low | 113 Ų | 113 | 131.9 Ų | 131.9 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | trans | -53 | 122.2 | -175.2 | 20.3 | -31.5 | 0 | 0 | 0 | 108.3 | V143 | P141-V143 PolarHBondContact O-N 3.06Š| ||
| 142 | F | 65.9 | Low | 62.1 | Low | 158 Ų | 158 | 129.9 Ų | 129.9 | 69% | 0.693 | 71% | 0.705 | S | S | * | * | trans | -66.8 | 113.5 | 175 | 108.6 | -94.4 | 0 | 0 | 0 | 105.9 | T140 W144 | T140-F142 PolarHBondContact O-N 3.05Å; F142-W144 HydrophobicContact CE2-CB 3.98Å; F142-W144 AromaticContact CE2-CE3 3.81Å; F142-W144 HydrophobicContact CE2-CE3 3.81Å; F142-W144 HydrophobicContact CZ-CE3 4.28Å | ||
| 143 | V | 75.4 | Confident | 60.8 | Low | 84 Ų | 84 | 128.6 Ų | 128.6 | 51% | 0.509 | 70% | 0.697 | S | S | . | * | trans | -99.9 | 112.3 | 174.8 | -179.7 | 0 | 0 | 0 | 0 | 106.8 | P141 G145 V146 | P141-V143 PolarHBondContact O-N 3.06Å; V143-G145 PolarHBondContact O-N 3.48Å; V143-V146 HydrophobicContact CB-CB 4.17Å; V143-V146 HydrophobicContact CB-CG2 4.3Å; V143-V146 HydrophobicContact CG1-CB 4.17Å; V143-V146 HydrophobicContact CG1-CG2 3.74Å; V143-V146 PolarHBondContact O-N 3.47Å; V143-V146 VanDerWaalsContact O-N 3.09Å | ||
| 144 | W | 66.6 | Low | 59.7 | Low | 226 Ų | 226 | 128 Ų | 128 | 86% | 0.856 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | 114.6 | 176.5 | -170.4 | -82.4 | 0 | 0 | 0 | 109.6 | F142 | F142-W144 HydrophobicContact CE2-CB 3.98Å; F142-W144 AromaticContact CE2-CE3 3.81Å; F142-W144 HydrophobicContact CE2-CE3 3.81Å; F142-W144 HydrophobicContact CZ-CE3 4.28Å |
| 145 | G | 64.2 | Low | 58.9 | Low | 78 Ų | 78 | 125.9 Ų | 125.9 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99.9 | -1.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | V143 | V143-G145 PolarHBondContact O-N 3.48Š|
| 146 | V | 61.7 | Low | 58.4 | Low | 101 Ų | 101 | 125.4 Ų | 125.4 | 61% | 0.612 | 70% | 0.702 | S | S | * | * | trans | -119.9 | 109.3 | 175.7 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | V143 | V143-V146 HydrophobicContact CB-CB 4.17Å; V143-V146 HydrophobicContact CB-CG2 4.3Å; V143-V146 HydrophobicContact CG1-CB 4.17Å; V143-V146 HydrophobicContact CG1-CG2 3.74Å; V143-V146 PolarHBondContact O-N 3.47Å; V143-V146 VanDerWaalsContact O-N 3.09Å | ||
| 147 | S | 59.3 | Low | 58 | Low | 68 Ų | 68 | 129.7 Ų | 129.7 | 48% | 0.476 | 71% | 0.708 | S | S | . | * | trans | -103 | 110 | 175 | 78 | 0 | 0 | 0 | 0 | 111.2 | K149 L150 | S147-K149 PolarHBondContact O-N 3.03Å; S147-L150 PolarHBondContact O-N 3.44Å; S147-L150 WeakPolarHBondContact OG-CB 3.33Å; S147-L150 VanDerWaalsContact OG-CD1 3.32Å; S147-L150 WeakPolarHBondContact OG-CD1 3.08Å; S147-L150 WeakPolarHBondContact OG-CG 2.89Å | ||
| 148 | S | 59.4 | Low | 57.4 | Low | 120 Ų | 120 | 128.4 Ų | 128.4 | 84% | 0.839 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -8.3 | 176.4 | -44.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 149 | K | 55.5 | Low | 56.7 | Low | 172 Ų | 172 | 127 Ų | 127 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 20.6 | 178.2 | -79.4 | -176.3 | 177.1 | 176.2 | 0 | 114.4 | S147 N151 | S147-K149 PolarHBondContact O-N 3.03Å; K149-N151 VanDerWaalsContact C-N 3.26Å; K149-N151 PolarHBondContact O-N 3.44Å |
| 150 | L | 50.3 | Low | 56.8 | Low | 98 Ų | 98 | 125.2 Ų | 125.2 | 51% | 0.513 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.8 | -18.8 | 178 | -121.7 | 173.1 | 0 | 0 | 0 | 113.8 | S147 Q152 L154 | S147-L150 PolarHBondContact O-N 3.44Å; S147-L150 WeakPolarHBondContact OG-CB 3.33Å; S147-L150 VanDerWaalsContact OG-CD1 3.32Å; S147-L150 WeakPolarHBondContact OG-CD1 3.08Å; S147-L150 WeakPolarHBondContact OG-CG 2.89Å; L150-Q152 PolarHBondContact O-N 3.46Å; L150-L154 HydrophobicContact CD2-CD1 3.95Å |
| 151 | N | 50.7 | Low | 56.6 | Low | 164 Ų | 164 | 127.3 Ų | 127.3 | 88% | 0.877 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -10.9 | -177.2 | -73.9 | -24.3 | 0 | 0 | 0 | 115.2 | K149 | K149-N151 VanDerWaalsContact C-N 3.26Å; K149-N151 PolarHBondContact O-N 3.44Å |
| 152 | Q | 49.4 | Very low | 56.1 | Low | 177 Ų | 177 | 128.5 Ų | 128.5 | 83% | 0.827 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -18.8 | 179.2 | -152.5 | 173.3 | 62.6 | 0 | 0 | 113.8 | L150 | L150-Q152 PolarHBondContact O-N 3.46Š|
| 153 | I | 46.9 | Very low | 55.8 | Low | 119 Ų | 119 | 122.9 Ų | 122.9 | 61% | 0.61 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | 8.5 | -177.9 | -53.6 | 174.5 | 0 | 0 | 0 | 112.1 | A155 | I153-A155 VanDerWaalsContact C-N 3.29Š|
| 154 | L | 44.5 | Very low | 55 | Low | 122 Ų | 122 | 125.1 Ų | 125.1 | 64% | 0.639 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -8.6 | 171 | -110 | 125.5 | 0 | 0 | 0 | 113.7 | L150 | L150-L154 HydrophobicContact CD2-CD1 3.95Š|
| 155 | A | 46.8 | Very low | 54.5 | Low | 98 Ų | 98 | 121.4 Ų | 121.4 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -91.8 | -11.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | I153 | I153-A155 VanDerWaalsContact C-N 3.29Š|
| 156 | A | 51.2 | Low | 54.1 | Low | 72 Ų | 72 | 126 Ų | 126 | 60% | 0.595 | 70% | 0.703 | S | S | * | * | trans | -143.6 | 86.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | P158 | A156-P158 WeakPolarHBondContact O-CD 2.92Š| ||
| 157 | R | 50.1 | Low | 54.3 | Low | 223 Ų | 223 | 132.5 Ų | 132.5 | 84% | 0.842 | 72% | 0.717 | S | S | * | * | trans | -71.1 | 123.5 | 169 | -73.3 | -178.6 | 158.6 | -168.4 | -5.6 | 109.2 | S159 | R157-S159 PolarHBondContact O-N 3.14Š| ||
| 158 | P | 48.2 | Very low | 54.2 | Low | 101 Ų | 101 | 133.6 Ų | 133.6 | 66% | 0.656 | 73% | 0.73 | S | S | * | * | trans | -71.6 | 124.2 | 155.9 | -0.6 | 18.1 | 0 | 0 | 0 | 107.1 | A156 N160 | A156-P158 WeakPolarHBondContact O-CD 2.92Å; P158-N160 PolarHBondContact O-N 2.93Å | ||
| 159 | S | 49.8 | Very low | 54.2 | Low | 95 Ų | 95 | 133.3 Ų | 133.3 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | trans | -69.3 | 96.1 | 175.4 | 61.9 | 0 | 0 | 0 | 0 | 109.5 | R157 N161 | R157-S159 PolarHBondContact O-N 3.14Å; S159-N161 PolarHBondContact O-N 3.3Å | ||
| 160 | N | 61.6 | Low | 54.3 | Low | 131 Ų | 131 | 130.9 Ų | 130.9 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | trans | -81 | 109 | 168.6 | -61.6 | -24.4 | 0 | 0 | 0 | 107.6 | P158 L162 | P158-N160 PolarHBondContact O-N 2.93Å; N160-L162 PolarHBondContact O-N 2.64Å | ||
| 161 | N | 59.8 | Low | 54.9 | Low | 153 Ų | 153 | 131.3 Ų | 131.3 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -76.9 | 38.9 | -177.3 | -68.2 | -65 | 0 | 0 | 0 | 113.7 | S159 | S159-N161 PolarHBondContact O-N 3.3Š| ||
| 162 | L | 60.5 | Low | 55.5 | Low | 139 Ų | 139 | 129.7 Ų | 129.7 | 73% | 0.728 | 73% | 0.727 | S | S | * | * | trans | -89.2 | 123.5 | 175.9 | -63.7 | 178.1 | 0 | 0 | 0 | 109.5 | N160 | N160-L162 PolarHBondContact O-N 2.64Š| ||
| 163 | G | 59.9 | Low | 56.2 | Low | 40 Ų | 40 | 126.4 Ų | 126.4 | 41% | 0.412 | 72% | 0.721 | S | S | . | * | trans | -62.4 | 163.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N165 | G163-N165 PolarHBondContact O-N 3.33Š| ||
| 164 | P | 59.3 | Low | 56.8 | Low | 130 Ų | 130 | 130 Ų | 130 | 84% | 0.844 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -5.9 | -168.5 | -20.5 | 31.4 | 0 | 0 | 0 | 116.2 | ||
| 165 | N | 55.5 | Low | 57.6 | Low | 148 Ų | 148 | 129.9 Ų | 129.9 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 0.1 | -166.2 | -57.7 | -28.1 | 0 | 0 | 0 | 113.9 | G163 | G163-N165 PolarHBondContact O-N 3.33Š|
| 166 | F | 56.5 | Low | 58.2 | Low | 175 Ų | 175 | 132.2 Ų | 132.2 | 77% | 0.768 | 73% | 0.732 | S | S | * | * | trans | -100.8 | 94.9 | 174.8 | -70.4 | -80.5 | 0 | 0 | 0 | 110.4 | ||||
| 167 | R | 65.7 | Low | 58.4 | Low | 238 Ų | 238 | 138.6 Ų | 138.6 | 90% | 0.898 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 133.7 | 161.9 | -92.6 | -171.6 | -174.7 | -122.6 | 2.2 | 109.4 | ||
| 168 | A | 57.3 | Low | 58.6 | Low | 90 Ų | 90 | 136.9 Ų | 136.9 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 136 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | S170 | A168-S170 PolarHBondContact O-N 3.46Š|
| 169 | P | 57.7 | Low | 58.3 | Low | 115 Ų | 115 | 143 Ų | 143 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -56 | 134.3 | 174.7 | -22.2 | 32 | 0 | 0 | 0 | 110.6 | T171 | P169-T171 PolarHBondContact O-N 3.22Š|
| 170 | S | 58 | Low | 58.7 | Low | 121 Ų | 121 | 145.5 Ų | 145.5 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -78.5 | 3.6 | -176.2 | 70.7 | 0 | 0 | 0 | 0 | 114.1 | A168 | A168-S170 PolarHBondContact O-N 3.46Š|
| 171 | T | 63.5 | Low | 58.5 | Low | 106 Ų | 106 | 146.2 Ų | 146.2 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -131.9 | 119.7 | -176.8 | 54.9 | 0 | 0 | 0 | 0 | 109 | P169 | P169-T171 PolarHBondContact O-N 3.22Š|
| 172 | L | 63.2 | Low | 58.4 | Low | 130 Ų | 130 | 145.8 Ų | 145.8 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | trans | -68.8 | 143.5 | 171.7 | -65.4 | 169.3 | 0 | 0 | 0 | 109 | W174 | L172-W174 PolarHBondContact O-N 3.09Å; L172-W174 VanDerWaalsContact O-N 3.09Å | ||
| 173 | P | 64.4 | Low | 58.3 | Low | 108 Ų | 108 | 146.2 Ų | 146.2 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -74.9 | 6.7 | -174.3 | 29 | -34.1 | 0 | 0 | 0 | 114.6 | ||
| 174 | W | 59.7 | Low | 58.2 | Low | 196 Ų | 196 | 152.9 Ų | 152.9 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -113.2 | 137.4 | -177.5 | -28.4 | 98 | 0 | 0 | 0 | 109.7 | L172 N176 | L172-W174 PolarHBondContact O-N 3.09Å; L172-W174 VanDerWaalsContact O-N 3.09Å; W174-N176 PolarHBondContact O-N 2.87Å |
| 175 | P | 60.7 | Low | 58.2 | Low | 119 Ų | 119 | 154.4 Ų | 154.4 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -67.4 | 130 | 173.9 | 26.4 | -30.5 | 0 | 0 | 0 | 109.9 | Y177 | P175-Y177 PolarHBondContact O-N 3.03Å; P175-Y177 VanDerWaalsContact O-N 3.14Å | ||
| 176 | N | 58.8 | Low | 58.3 | Low | 146 Ų | 146 | 154.9 Ų | 154.9 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | -62.7 | 113.1 | 170.8 | -69 | -34.3 | 0 | 0 | 0 | 108.1 | W174 E178 | W174-N176 PolarHBondContact O-N 2.87Å; N176-E178 PolarHBondContact O-N 2.86Å | ||
| 177 | Y | 56.5 | Low | 58.5 | Low | 207 Ų | 207 | 153.3 Ų | 153.3 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -79.8 | 110.3 | 160.5 | 52.5 | -90.5 | 0 | 0 | 0 | 106.5 | P175 | P175-Y177 PolarHBondContact O-N 3.03Å; P175-Y177 VanDerWaalsContact O-N 3.14Å | ||
| 178 | E | 54.7 | Low | 57.9 | Low | 186 Ų | 186 | 146.3 Ų | 146.3 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | -71 | 130.6 | 168.2 | -64.8 | -170.1 | 164 | 0 | 0 | 108.1 | N176 | N176-E178 PolarHBondContact O-N 2.86Š| ||
| 179 | L | 40.2 | Very low | 57.9 | Low | 231 Ų | 231 | 151.4 Ų | 151.4 | 100% | 1.209 | 80% | 0.801 | S | S | * | * | trans | -83.1 | 0 | 174.5 | -111.8 | 160.4 | 0 | 0 | 0 | 109.9 |
Retrieved 179 of 179 residues in 69 ms
(Link to these results)