| 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 | 42.2 | Very low | 37.9 | Very low | 244 Ų | 244 | 159.2 Ų | 159.2 | 100% | 1.202 | 84% | 0.838 | S | S | * | * | 0 | 98.2 | 0 | -85.9 | 122.9 | 91.4 | 0 | 0 | 108.8 | |||||
| 2 | S | 36 | Very low | 38.5 | Very low | 109 Ų | 109 | 155.8 Ų | 155.8 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -121.5 | 114.3 | 171.4 | 39.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 3 | L | 43.8 | Very low | 38.6 | Very low | 169 Ų | 169 | 160.6 Ų | 160.6 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -64.6 | 127.1 | 171.6 | -77 | 85.6 | 0 | 0 | 0 | 109.1 | ||||
| 4 | F | 37 | Very low | 38.7 | Very low | 192 Ų | 192 | 164.4 Ų | 164.4 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | trans | -106.3 | 121.4 | 156.1 | -99.2 | -88.6 | 0 | 0 | 0 | 108.9 | S6 | F4-S6 PolarHBondContact O-N 3.41Š| ||
| 5 | P | 38.3 | Very low | 38.9 | Very low | 112 Ų | 112 | 162.5 Ų | 162.5 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -75.3 | 114.7 | 177.2 | 28.2 | -29.8 | 0 | 0 | 0 | 110.1 | K7 | P5-K7 PolarHBondContact O-N 2.99Å; P5-K7 VanDerWaalsContact O-N 3.17Å | ||
| 6 | S | 41.8 | Very low | 38.6 | Very low | 124 Ų | 124 | 164.1 Ų | 164.1 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -72.4 | 97.3 | 169.5 | 46 | 0 | 0 | 0 | 0 | 110.2 | F4 | F4-S6 PolarHBondContact O-N 3.41Š| ||
| 7 | K | 43.6 | Very low | 38.4 | Very low | 189 Ų | 189 | 160.5 Ų | 160.5 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -122.5 | 163.1 | 161.2 | -72.3 | -165.7 | 179 | -175.6 | 0 | 109.3 | P5 | P5-K7 PolarHBondContact O-N 2.99Å; P5-K7 VanDerWaalsContact O-N 3.17Å | ||
| 8 | P | 35.3 | Very low | 38.3 | Very low | 113 Ų | 113 | 157.4 Ų | 157.4 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | -108.5 | 152.9 | -74.3 | 22.6 | -4.3 | 0 | 0 | 0 | 108.4 | C10 | P8-C10 PolarHBondContact O-N 3.2Š| |||
| 9 | W | 27.2 | Very low | 38.3 | Very low | 227 Ų | 227 | 155.1 Ų | 155.1 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -49.6 | 101.7 | 169.4 | -91.9 | 38.4 | 0 | 0 | 0 | 110.7 | E11 | W9-E11 HydrophobicContact CE3-CG 4.44Å; W9-E11 PolarHBondContact O-N 2.92Å | ||
| 10 | C | 33.1 | Very low | 38.6 | Very low | 120 Ų | 120 | 152.4 Ų | 152.4 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | trans | -68.1 | 88.9 | 151.7 | -92.8 | 0 | 0 | 0 | 0 | 105.2 | P8 Y12 | P8-C10 PolarHBondContact O-N 3.2Å; C10-Y12 PolarHBondContact O-N 3.32Å | ||
| 11 | E | 39 | Very low | 38.6 | Very low | 152 Ų | 152 | 151 Ų | 151 | 71% | 0.71 | 76% | 0.755 | S | S | * | * | trans | -66.7 | 83 | 175.9 | -166.7 | 160.3 | -173.4 | 0 | 0 | 108.4 | W9 R13 | W9-E11 HydrophobicContact CE3-CG 4.44Å; W9-E11 PolarHBondContact O-N 2.92Å; E11-R13 VanDerWaalsContact C-N 3.28Å; E11-R13 PolarHBondContact O-N 2.91Å | ||
| 12 | Y | 44.2 | Very low | 38.5 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 46% | 0.463 | 73% | 0.731 | S | S | . | * | trans | -63.1 | 99.6 | 164.2 | -135.3 | -89.9 | 0 | 0 | 0 | 104.4 | C10 R14 F146 M148 | C10-Y12 PolarHBondContact O-N 3.32Å; Y12-R14 PolarHBondContact O-N 2.97Å; Y12-F146 AromaticContact CD1-CD1 3.85Å; Y12-F146 HydrophobicContact CD1-CD1 3.85Å; Y12-F146 HydrophobicContact CD1-CE1 4.35Å; Y12-F146 HydrophobicContact CE1-CB 4.01Å; Y12-F146 AromaticContact CE1-CD1 3.59Å; Y12-F146 HydrophobicContact CE1-CD1 3.59Å; Y12-F146 HydrophobicContact CE1-CE1 4.47Å; Y12-F146 HydrophobicContact CE1-CG 4.11Å; Y12-M148 HydrophobicContact CE2-CE 4.48Å | ||
| 13 | R | 40.1 | Very low | 38.8 | Very low | 219 Ų | 219 | 147.5 Ų | 147.5 | 83% | 0.826 | 72% | 0.724 | S | S | * | * | trans | -57.8 | 94.1 | 173.5 | -176 | -179.4 | -71.4 | 163.9 | -0.9 | 106.9 | E11 R15 | E11-R13 VanDerWaalsContact C-N 3.28Å; E11-R13 PolarHBondContact O-N 2.91Å; R13-R15 VanDerWaalsContact C-N 3.27Å; R13-R15 PolarHBondContact O-N 3.23Å | ||
| 14 | R | 40.1 | Very low | 38.7 | Very low | 213 Ų | 213 | 144.3 Ų | 144.3 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | -57.6 | 96.9 | 167.6 | -172.1 | -173 | -70.7 | 163.4 | -2.9 | 104.4 | Y12 K16 | Y12-R14 PolarHBondContact O-N 2.97Å; R14-K16 VanDerWaalsContact C-N 3.28Å; R14-K16 PolarHBondContact O-N 3.47Å | ||
| 15 | R | 41.4 | Very low | 39.1 | Very low | 137 Ų | 137 | 141 Ų | 141 | 52% | 0.517 | 70% | 0.697 | S | S | . | * | trans | -59.5 | 107.7 | 160.6 | -89.7 | -166.1 | -163.8 | 145.2 | 12.7 | 103.9 | R13 D17 R149 | R13-R15 VanDerWaalsContact C-N 3.27Å; R13-R15 PolarHBondContact O-N 3.23Å; R15-D17 VanDerWaalsContact C-N 3.35Å; R15-D17 PolarHBondContact O-N 2.72Å; R15-D17 VanDerWaalsContact O-N 3.12Å; R15-R149 VanDerWaalsContact NH2-CZ 3.33Å | ||
| 16 | K | 34.6 | Very low | 39.2 | Very low | 187 Ų | 187 | 143.5 Ų | 143.5 | 81% | 0.813 | 70% | 0.697 | S | S | * | * | trans | -57.9 | 113 | 152.9 | -81.6 | -171.8 | 175.3 | -177 | 0 | 103.9 | R14 S18 | R14-K16 VanDerWaalsContact C-N 3.28Å; R14-K16 PolarHBondContact O-N 3.47Å; K16-S18 PolarHBondContact O-N 3.09Å | ||
| 17 | D | 35.4 | Very low | 39.5 | Very low | 103 Ų | 103 | 146.4 Ų | 146.4 | 55% | 0.551 | 69% | 0.689 | S | S | * | * | trans | -60.9 | 93.8 | 165.2 | -65.3 | -40.8 | 0 | 0 | 0 | 106.1 | R15 | R15-D17 VanDerWaalsContact C-N 3.35Å; R15-D17 PolarHBondContact O-N 2.72Å; R15-D17 VanDerWaalsContact O-N 3.12Å | ||
| 18 | S | 36.1 | Very low | 39.6 | Very low | 105 Ų | 105 | 146 Ų | 146 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | trans | -89 | 102.7 | 147.4 | 49.1 | 0 | 0 | 0 | 0 | 104.4 | K16 | K16-S18 PolarHBondContact O-N 3.09Š| ||
| 19 | D | 38.7 | Very low | 40 | Very low | 113 Ų | 113 | 149 Ų | 149 | 60% | 0.604 | 69% | 0.691 | S | S | * | * | trans | -53.4 | 123.4 | -179 | -65.9 | -55.9 | 0 | 0 | 0 | 110.1 | D21 | D19-D21 PolarHBondContact O-N 3.14Å; D19-D21 VanDerWaalsContact O-N 3.1Å | ||
| 20 | P | 43.6 | Very low | 40.8 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 66% | 0.656 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 2.1 | 177.3 | 27.6 | -32.5 | 0 | 0 | 0 | 113.6 | ||
| 21 | D | 38.6 | Very low | 41.2 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 67% | 0.668 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -10.7 | -178.2 | -63.4 | -36.8 | 0 | 0 | 0 | 113.3 | D19 | D19-D21 PolarHBondContact O-N 3.14Å; D19-D21 VanDerWaalsContact O-N 3.1Å |
| 22 | E | 41.6 | Very low | 41 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 69% | 0.687 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -23.9 | 178.5 | -145.6 | 178.2 | -169.5 | 0 | 0 | 113.5 | ||
| 23 | E | 40.9 | Very low | 40.6 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 62% | 0.617 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -80.6 | -20.6 | -179.9 | -141.3 | -177.7 | 176.5 | 0 | 0 | 112.7 | I25 | E23-I25 VanDerWaalsContact C-N 3.34Å |
| 24 | N | 41.7 | Very low | 40.4 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 54% | 0.54 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -82.2 | -12.5 | 177.1 | -155.7 | 8 | 0 | 0 | 0 | 113.2 | ||
| 25 | I | 45.9 | Very low | 40 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -83.8 | -31.7 | 172.8 | -63.8 | 173.3 | 0 | 0 | 0 | 110.5 | E23 | E23-I25 VanDerWaalsContact C-N 3.34Å |
| 26 | K | 41.3 | Very low | 39.5 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -80 | -18.3 | 177 | -69 | -176.7 | 179.9 | 174.9 | 0 | 114.7 | ||
| 27 | R | 48.1 | Very low | 39.4 | Very low | 185 Ų | 185 | 130.5 Ų | 130.5 | 70% | 0.698 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -84.2 | -15.5 | 173.9 | -73.2 | -175.2 | -173.2 | -136.7 | 1.5 | 114.4 | Q29 | R27-Q29 VanDerWaalsContact C-N 3.26Å; R27-Q29 PolarHBondContact O-N 3.28Å |
| 28 | K | 44 | Very low | 39.2 | Very low | 179 Ų | 179 | 128.9 Ų | 128.9 | 78% | 0.778 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -83.8 | 1.9 | 174.6 | -76.7 | -174.9 | 175.3 | -177.9 | 0 | 114 | ||
| 29 | Q | 45.1 | Very low | 39.3 | Very low | 178 Ų | 178 | 128 Ų | 128 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -115.1 | 27.9 | 175.6 | -116.7 | 172.2 | 17.8 | 0 | 0 | 112.3 | R27 | R27-Q29 VanDerWaalsContact C-N 3.26Å; R27-Q29 PolarHBondContact O-N 3.28Å |
| 30 | A | 43.7 | Very low | 39.2 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 63% | 0.628 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -158.4 | 78.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 31 | S | 40.3 | Very low | 38.4 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | 157.2 | 59.7 | 150 | 49.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 32 | A | 36.3 | Very low | 38.1 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | -76.5 | 132.6 | 144.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 33 | C | 35 | Very low | 37.5 | Very low | 121 Ų | 121 | 129 Ų | 129 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -53.4 | 164.3 | 173.4 | -59.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 34 | P | 36.5 | Very low | 36.9 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | -133.2 | 146.3 | 106.7 | 34.7 | -24 | 0 | 0 | 0 | 115 | |||||
| 35 | F | 30.9 | Very low | 36.6 | Very low | 196 Ų | 196 | 129.5 Ų | 129.5 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -65.6 | 140.5 | 166.3 | -143.2 | -105.6 | 0 | 0 | 0 | 110.6 | ||||
| 36 | S | 30.8 | Very low | 36 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | 146.2 | 144.7 | 124.4 | 64.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 37 | C | 32.7 | Very low | 35.6 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 93% | 0.926 | 78% | 0.775 | S | S | * | * | trans | 66.9 | 128.9 | 165.6 | -80.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 38 | G | 31.3 | Very low | 34.8 | Very low | 70 Ų | 70 | 132.5 Ų | 132.5 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | 124 | 120.9 | 13.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 39 | A | 38.5 | Very low | 34.6 | Very low | 87 Ų | 87 | 131 Ų | 131 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | trans | 91.7 | 118 | 150.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 40 | N | 35.7 | Very low | 34.4 | Very low | 148 Ų | 148 | 128.2 Ų | 128.2 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | 102.9 | 124.9 | 125.5 | -65.8 | -10.7 | 0 | 0 | 0 | 122.8 | |||||
| 41 | H | 27.3 | Very low | 34.3 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | 106.2 | 106.5 | 129.1 | -102.5 | -116 | 0 | 0 | 0 | 121 | |||||
| 42 | V | 33.7 | Very low | 34 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | 66.6 | 110.6 | 126.9 | -174.4 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 43 | G | 28 | Very low | 33.9 | Very low | 72 Ų | 72 | 136.6 Ų | 136.6 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | 77.4 | 119.1 | 118.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 44 | S | 29.1 | Very low | 34.1 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | 177.9 | 126.3 | 114.9 | -176.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 45 | V | 34.2 | Very low | 34.1 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -30.6 | 138.1 | 157.5 | -157.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 46 | R | 34 | Very low | 34 | Very low | 226 Ų | 226 | 138 Ų | 138 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | -168.5 | 103.6 | 127 | -107 | 168.6 | 178.7 | 177.9 | 0.2 | 112.8 | |||||
| 47 | S | 32.1 | Very low | 33.8 | Very low | 85 Ų | 85 | 140.9 Ų | 140.9 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | trans | -47.9 | 140.9 | 148.7 | 150.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 48 | W | 31.6 | Very low | 33.9 | Very low | 225 Ų | 225 | 143.2 Ų | 143.2 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | trans | -140.5 | 103.5 | 139.4 | -82.5 | 89 | 0 | 0 | 0 | 109.1 | ||||
| 49 | L | 39.5 | Very low | 34 | Very low | 148 Ų | 148 | 147 Ų | 147 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | -81.1 | 133.9 | 151.7 | -88 | 150.2 | 0 | 0 | 0 | 108.2 | ||||
| 50 | T | 41.5 | Very low | 34.1 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | trans | -179.9 | 120 | 131.2 | 22.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 51 | A | 41.1 | Very low | 34.3 | Very low | 82 Ų | 82 | 152.4 Ų | 152.4 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | 71.5 | 134.1 | 97 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 52 | D | 34.3 | Very low | 34.7 | Very low | 153 Ų | 153 | 150.1 Ų | 150.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | cis | -176.6 | 171.4 | 40.7 | -129.1 | -35.1 | 0 | 0 | 0 | 111.1 | ||||
| 53 | R | 34.3 | Very low | 34.6 | Very low | 232 Ų | 232 | 147.8 Ų | 147.8 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | trans | 96.8 | 101.5 | 143.5 | -103.5 | 174.1 | 175.8 | -167.1 | -1.9 | 122.6 | ||||
| 54 | L | 39.6 | Very low | 35.1 | Very low | 156 Ų | 156 | 152.1 Ų | 152.1 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | -45.2 | 139.9 | 147.1 | -69.2 | 139.2 | 0 | 0 | 0 | 115.3 | ||||
| 55 | N | 36.3 | Very low | 35.5 | Very low | 144 Ų | 144 | 152.3 Ų | 152.3 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | 173.6 | 132.6 | 112.4 | -95.3 | -15.9 | 0 | 0 | 0 | 109.5 | |||||
| 56 | F | 28.5 | Very low | 35.7 | Very low | 180 Ų | 180 | 155.4 Ų | 155.4 | 79% | 0.789 | 78% | 0.784 | S | S | * | * | 77.8 | 89 | 58.9 | -156.4 | -87.5 | 0 | 0 | 0 | 113.5 | |||||
| 57 | F | 27.1 | Very low | 36 | Very low | 164 Ų | 164 | 152.9 Ų | 152.9 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | trans | 158.2 | 151.3 | 151.4 | -117.6 | -128.2 | 0 | 0 | 0 | 108 | ||||
| 58 | R | 33.3 | Very low | 36.7 | Very low | 186 Ų | 186 | 154 Ų | 154 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | cis | 177.5 | 128.9 | -16.1 | 162.4 | -177.7 | 168.5 | 173.8 | -5.6 | 104.7 | ||||
| 59 | L | 34.8 | Very low | 37.4 | Very low | 149 Ų | 149 | 151.7 Ų | 151.7 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | trans | 37.3 | 115.9 | 140.2 | -147.9 | 80.3 | 0 | 0 | 0 | 121.9 | ||||
| 60 | S | 40 | Very low | 37.6 | Very low | 113 Ų | 113 | 153.6 Ų | 153.6 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | -160.7 | 129.2 | 129.2 | 68.8 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 61 | R | 39.7 | Very low | 37.5 | Very low | 236 Ų | 236 | 154.7 Ų | 154.7 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | cis | 69.2 | 87.2 | 38.3 | -123.9 | -169.5 | -158.7 | -141.2 | 5.2 | 115.2 | ||||
| 62 | S | 35.9 | Very low | 37.8 | Very low | 120 Ų | 120 | 156.9 Ų | 156.9 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -178.1 | 108.6 | 147.1 | 50.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 63 | G | 31.4 | Very low | 38.4 | Very low | 70 Ų | 70 | 153.6 Ų | 153.6 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | 110.7 | 98.8 | 94.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 64 | I | 38.3 | Very low | 38.7 | Very low | 163 Ų | 163 | 151.9 Ų | 151.9 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | 43.7 | 103.1 | 95.1 | -47.5 | 173.2 | 0 | 0 | 0 | 113.8 | |||||
| 65 | T | 37.2 | Very low | 39 | Very low | 123 Ų | 123 | 148.8 Ų | 148.8 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | -152.4 | 106.2 | 129.7 | 39.6 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 66 | E | 38.5 | Very low | 39.5 | Very low | 189 Ų | 189 | 147.5 Ų | 147.5 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -66.2 | 137.6 | 158.5 | -72.7 | 177 | 132.9 | 0 | 0 | 108.9 | ||||
| 67 | M | 40.8 | Very low | 40.4 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -120.3 | 115.4 | 161.4 | -66.3 | -167 | -175 | 0 | 0 | 108.3 | F69 | M67-F69 PolarHBondContact O-N 3.25Š| ||
| 68 | A | 46.7 | Very low | 41.7 | Very low | 107 Ų | 107 | 146 Ų | 146 | 88% | 0.884 | 81% | 0.806 | S | S | * | * | trans | -58.2 | 123.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 69 | F | 45.8 | Very low | 43 | Very low | 178 Ų | 178 | 141.5 Ų | 141.5 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | -98.9 | 128.1 | 165 | -165.6 | -100.2 | 0 | 0 | 0 | 108.8 | M67 | M67-F69 PolarHBondContact O-N 3.25Š| ||
| 70 | K | 44.6 | Very low | 44.1 | Very low | 187 Ų | 187 | 143.5 Ų | 143.5 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -94.8 | 103.2 | -171.7 | -160.5 | 174.4 | -175.1 | 179.2 | 0 | 107.7 | T72 | K70-T72 PolarHBondContact O-N 2.91Å; K70-T72 VanDerWaalsContact O-N 3.08Å | ||
| 71 | D | 40.2 | Very low | 45.2 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | -72.6 | 96.4 | 177.9 | -67.9 | -42.6 | 0 | 0 | 0 | 110.7 | G73 | D71-G73 PolarHBondContact O-N 2.87Š| ||
| 72 | T | 45.7 | Very low | 46.7 | Very low | 128 Ų | 128 | 134 Ų | 134 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -82 | 98.7 | 160 | 51 | 0 | 0 | 0 | 0 | 108.3 | K70 K74 | K70-T72 PolarHBondContact O-N 2.91Å; K70-T72 VanDerWaalsContact O-N 3.08Å; T72-K74 PolarHBondContact O-N 3.25Å; T72-K74 VanDerWaalsContact O-N 3.16Å | ||
| 73 | G | 48.2 | Very low | 48.8 | Very low | 83 Ų | 83 | 135 Ų | 135 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -54.8 | 114.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D71 | D71-G73 PolarHBondContact O-N 2.87Š| ||
| 74 | K | 40.4 | Very low | 51.4 | Low | 196 Ų | 196 | 134.1 Ų | 134.1 | 85% | 0.852 | 75% | 0.746 | S | S | * | * | trans | -126 | 96.9 | 154.5 | -165.6 | 164.8 | -171.6 | 173.7 | 0 | 106.1 | T72 P76 | T72-K74 PolarHBondContact O-N 3.25Å; T72-K74 VanDerWaalsContact O-N 3.16Å; K74-P76 WeakPolarHBondContact O-CD 3.36Å | ||
| 75 | A | 45 | Very low | 53.7 | Low | 92 Ų | 92 | 134.1 Ų | 134.1 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 121.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 76 | P | 48.2 | Very low | 56.2 | Low | 116 Ų | 116 | 128.3 Ų | 128.3 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 129.4 | 165.8 | 30.4 | -27.1 | 0 | 0 | 0 | 107.3 | K74 E78 | K74-P76 WeakPolarHBondContact O-CD 3.36Å; P76-E78 PolarHBondContact O-N 3.49Å |
| 77 | V | 47.6 | Very low | 58.7 | Low | 125 Ų | 125 | 125.7 Ų | 125.7 | 76% | 0.758 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 117.3 | 170.6 | 178 | 0 | 0 | 0 | 0 | 108.6 | T79 | V77-T79 PolarHBondContact O-N 3.18Š|
| 78 | E | 54.5 | Low | 61.2 | Low | 187 Ų | 187 | 117.5 Ų | 117.5 | 87% | 0.874 | 64% | 0.641 | S | S | * | * | trans | -72.5 | 82.9 | 170.8 | -67.2 | 179.5 | 172.8 | 0 | 0 | 107.9 | P76 E80 | P76-E78 PolarHBondContact O-N 3.49Å; E78-E80 PolarHBondContact O-N 2.97Å | ||
| 79 | T | 59.3 | Low | 63.3 | Low | 92 Ų | 92 | 113.4 Ų | 113.4 | 56% | 0.564 | 61% | 0.605 | S | S | * | * | trans | -65.9 | 113.4 | 157.3 | 26.8 | 0 | 0 | 0 | 0 | 106.6 | V77 V81 | V77-T79 PolarHBondContact O-N 3.18Å; T79-V81 PolarHBondContact O-N 2.81Å | ||
| 80 | E | 57.5 | Low | 65.5 | Low | 191 Ų | 191 | 104.9 Ų | 104.9 | 89% | 0.893 | 57% | 0.568 | S | S | * | * | trans | -48.4 | 106.9 | 175.7 | -61.3 | -177.6 | -176.6 | 0 | 0 | 109.3 | E78 A82 | E78-E80 PolarHBondContact O-N 2.97Å; E80-A82 PolarHBondContact O-N 3.09Å | ||
| 81 | V | 64.2 | Low | 67.8 | Low | 93 Ų | 93 | 96.8 Ų | 96.8 | 56% | 0.564 | 53% | 0.534 | S | S | * | . | trans | -75.6 | 90.5 | -172 | -91.8 | 0 | 0 | 0 | 0 | 109.1 | T79 I83 P160 | T79-V81 PolarHBondContact O-N 2.81Å; V81-I83 PolarHBondContact O-N 3.28Å; V81-P160 HydrophobicContact CB-CB 4.18Å; V81-P160 HydrophobicContact CB-CG 4.19Å; V81-P160 HydrophobicContact CG1-CB 3.89Å; V81-P160 HydrophobicContact CG1-CG 3.85Å | ||
| 82 | A | 71.2 | Confident | 70.2 | Confident | 56 Ų | 56 | 90.4 Ų | 90.4 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | trans | -54.7 | 126.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | E80 H84 | E80-A82 PolarHBondContact O-N 3.09Å; A82-H84 WeakPolarHBondContact CB-NE2 3.29Å; A82-H84 PolarHBondContact O-CD2 3.05Å; A82-H84 PolarHBondContact O-N 3Å; A82-H84 VanDerWaalsContact O-N 3.14Å | ||
| 83 | I | 79.2 | Confident | 72.4 | Confident | 143 Ų | 143 | 92.2 Ų | 92.2 | 73% | 0.733 | 49% | 0.493 | S | S | * | . | trans | -83.1 | 94.9 | -176.2 | -58 | 173.4 | 0 | 0 | 0 | 108.3 | V81 | V81-I83 PolarHBondContact O-N 3.28Š| ||
| 84 | H | 85.3 | Confident | 74.4 | Confident | 51 Ų | 51 | 92.4 Ų | 92.4 | 24% | 0.236 | 47% | 0.474 | C | S | . | . | trans | -86.4 | 148.8 | 177.9 | -60.4 | -80.1 | 0 | 0 | 0 | 112.2 | A82 I86 S159 I182 D184 | A82-H84 WeakPolarHBondContact CB-NE2 3.29Å; A82-H84 PolarHBondContact O-CD2 3.05Å; A82-H84 PolarHBondContact O-N 3Å; A82-H84 VanDerWaalsContact O-N 3.14Å; H84-I86 HydrophobicContact CB-CD1 4.34Å; H84-I86 HydrophobicContact CB-CG1 4.04Å; H84-S159 PolarHBondContact O-N 3.1Å; H84-I182 HydrophobicContact CB-CG2 4.04Å; H84-D184 IonicContact CE1-OD1 3.8Å; H84-D184 PolarHBondContact CE1-OD1 3.17Å; H84-D184 VanDerWaalsContact CE1-OD1 3.25Å; H84-D184 IonicContact CG-OD1 3.86Å; H84-D184 IonicContact ND1-OD1 3.94Å; H84-D184 PolarHBondContact ND1-OD1 2.91Å | ||
| 85 | R | 87 | Confident | 76.7 | Confident | 163 Ų | 163 | 85.7 Ų | 85.7 | 62% | 0.615 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 107.7 | 167.5 | -61.3 | -176 | 179.1 | 175.6 | 2.4 | 107.6 | A183 | R85-A183 PolarHBondContact O-N 2.84Å |
| 86 | I | 90.8 | Very high | 78.9 | Confident | 1 Ų | 1 | 89.4 Ų | 89.4 | 1% | 0.005 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 136 | -175 | -61.1 | 171.9 | 0 | 0 | 0 | 108.6 | H84 I88 D156 L157 S159 V164 V180 T181 | H84-I86 HydrophobicContact CB-CD1 4.34Å; H84-I86 HydrophobicContact CB-CG1 4.04Å; I86-I88 HydrophobicContact CG2-CG1 4.4Å; I86-D156 WeakPolarHBondContact O-CA 3.45Å; I86-L157 PolarHBondContact N-O 3.1Å; I86-L157 PolarHBondContact O-N 3.08Å; I86-S159 VanDerWaalsContact CD1-O 3.3Å; I86-S159 WeakPolarHBondContact CD1-O 3.44Å; I86-V164 HydrophobicContact CD1-CB 4.35Å; I86-V164 HydrophobicContact CD1-CG2 3.66Å; I86-V164 HydrophobicContact CG2-CG1 4.4Å; I86-V180 HydrophobicContact CG2-CG1 3.59Å; I86-T181 WeakPolarHBondContact CA-O 2.73Å |
| 87 | R | 91.5 | Very high | 81 | Confident | 133 Ų | 133 | 84.9 Ų | 84.9 | 50% | 0.502 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.7 | 174.3 | -30.3 | -179 | 93.3 | 166 | 9.8 | 108.6 | D156 T181 | R87-D156 WeakPolarHBondContact CB-OD1 3.27Å; R87-D156 VanDerWaalsContact CG-OD1 3.29Å; R87-D156 WeakPolarHBondContact CG-OD1 3.35Å; R87-D156 IonicContact CZ-OD1 3.85Å; R87-D156 IonicContact NE-OD1 3Å; R87-D156 PolarHBondContact NE-OD1 3.44Å; R87-D156 IonicContact NH2-OD1 3.25Å; R87-D156 IonicContact NH2-OD2 2.72Å; R87-T181 WeakPolarHBondContact CB-OG1 3.29Å; R87-T181 PolarHBondContact N-O 2.94Å; R87-T181 PolarHBondContact O-N 2.72Å; R87-T181 PolarHBondContact O-OG1 2.87Å |
| 88 | I | 91.9 | Very high | 83 | Confident | 3 Ų | 3 | 78.9 Ų | 78.9 | 2% | 0.015 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121.6 | 176.4 | -56.5 | 175 | 0 | 0 | 0 | 107.5 | I86 L90 L154 I155 L157 V164 V178 E179 | I86-I88 HydrophobicContact CG2-CG1 4.4Å; I88-L90 HydrophobicContact CG2-CD2 4.24Å; I88-L154 WeakPolarHBondContact O-CA 3.22Å; I88-I155 HydrophobicContact CB-CB 4.47Å; I88-I155 PolarHBondContact N-O 3.41Å; I88-I155 PolarHBondContact O-N 3.3Å; I88-L157 HydrophobicContact CD1-CD1 3.59Å; I88-L157 HydrophobicContact CD1-CG 4.39Å; I88-V164 HydrophobicContact CD1-CG1 3.95Å; I88-V164 HydrophobicContact CG1-CG1 4.45Å; I88-V178 HydrophobicContact CG2-CG1 3.83Å; I88-E179 CarbonylContact C-O 3.6Å; I88-E179 WeakPolarHBondContact CA-O 3.45Å |
| 89 | T | 92 | Very high | 84.7 | Confident | 20 Ų | 20 | 74.3 Ų | 74.3 | 12% | 0.123 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.2 | 173.9 | -52.9 | 0 | 0 | 0 | 0 | 109.2 | T91 L154 E179 | T89-T91 HydrophobicContact CG2-CG2 3.98Å; T89-L154 HydrophobicContact CG2-CD2 3.84Å; T89-L154 WeakPolarHBondContact OG1-CD2 3.47Å; T89-E179 PolarHBondContact N-O 2.83Å; T89-E179 PolarHBondContact O-N 3.3Å |
| 90 | L | 92.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.2 | 172.4 | -58 | 174 | 0 | 0 | 0 | 108.6 | I88 L98 V101 C102 L105 K152 R153 I155 V176 V178 | I88-L90 HydrophobicContact CG2-CD2 4.24Å; L90-L98 HydrophobicContact CB-CD2 3.95Å; L90-V101 HydrophobicContact CD1-CG1 4.18Å; L90-V101 HydrophobicContact CD2-CG1 4.18Å; L90-C102 WeakPolarHBondContact CD1-SG 3.42Å; L90-L105 HydrophobicContact CD1-CD1 4.07Å; L90-L105 HydrophobicContact CD2-CD1 4.2Å; L90-K152 WeakPolarHBondContact O-CA 3.42Å; L90-R153 HydrophobicContact CB-CB 4.38Å; L90-R153 PolarHBondContact N-O 3Å; L90-R153 PolarHBondContact O-N 3.4Å; L90-I155 HydrophobicContact CD1-CD1 4.23Å; L90-V176 HydrophobicContact CD2-CG1 4.39Å; L90-V178 HydrophobicContact CD2-CB 4.19Å; L90-V178 HydrophobicContact CD2-CG1 3.91Å; L90-V178 HydrophobicContact CD2-CG2 3.64Å |
| 91 | T | 91.7 | Very high | 87.9 | Confident | 17 Ų | 17 | 66.8 Ų | 66.8 | 10% | 0.104 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 135.5 | 173.2 | 78.5 | 0 | 0 | 0 | 0 | 110.9 | T89 K152 E177 | T89-T91 HydrophobicContact CG2-CG2 3.98Å; T91-K152 HydrophobicContact CG2-CD 4.17Å; T91-K152 HydrophobicContact CG2-CG 4Å; T91-E177 PolarHBondContact N-O 3.02Å; T91-E177 PolarHBondContact O-N 3.3Å |
| 92 | S | 91.9 | Very high | 89.2 | Confident | 9 Ų | 9 | 62.6 Ų | 62.6 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 167.5 | 173.3 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | N94 L98 H151 G175 | S92-N94 PolarHBondContact OG-N 2.87Å; S92-N94 VanDerWaalsContact OG-N 3.15Å; S92-L98 VanDerWaalsContact CB-CG 3.47Å; S92-H151 PolarHBondContact N-O 3.5Å; S92-H151 VanDerWaalsContact N-O 3.14Å; S92-H151 PolarHBondContact O-N 2.91Å; S92-G175 WeakPolarHBondContact CB-O 3.42Å; S92-G175 PolarHBondContact OG-O 2.86Å |
| 93 | R | 90.1 | Very high | 90.2 | Very high | 166 Ų | 166 | 62.6 Ų | 62.6 | 63% | 0.626 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -88.5 | -26 | 169.4 | -60 | 179.8 | -68.4 | 170.5 | -0.5 | 112.3 | ||
| 94 | N | 90.6 | Very high | 90.7 | Very high | 86 Ų | 86 | 58.6 Ų | 58.6 | 46% | 0.46 | 27% | 0.274 | S | S | . | . | trans | -100 | 119.4 | -173.7 | -68.5 | -31.3 | 0 | 0 | 0 | 111.3 | S92 L98 | S92-N94 PolarHBondContact OG-N 2.87Å; S92-N94 VanDerWaalsContact OG-N 3.15Å; N94-L98 WeakPolarHBondContact O-CG 3.46Å; N94-L98 PolarHBondContact O-N 2.88Å | ||
| 95 | V | 89.9 | Confident | 90.9 | Very high | 56 Ų | 56 | 56.6 Ų | 56.6 | 34% | 0.339 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.7 | -40.5 | -178.3 | -176.7 | 0 | 0 | 0 | 0 | 112.3 | L98 E99 H151 | V95-L98 PolarHBondContact O-N 3.35Å; V95-E99 WeakPolarHBondContact CG1-OE1 3.38Å; V95-E99 WeakPolarHBondContact O-CG 3.19Å; V95-E99 PolarHBondContact O-N 2.93Å; V95-E99 VanDerWaalsContact O-N 3.08Å; V95-H151 WeakPolarHBondContact CG2-NE2 3.45Å |
| 96 | K | 90.9 | Very high | 91.1 | Very high | 170 Ų | 170 | 50.5 Ų | 50.5 | 74% | 0.739 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62.9 | -46.7 | -176.3 | -63 | -175 | 179 | -174.9 | 0 | 112.1 | E99 K100 | K96-E99 PolarHBondContact O-N 3.17Å; K96-K100 WeakPolarHBondContact O-CG 3.26Å; K96-K100 PolarHBondContact O-N 3.13Å |
| 97 | S | 90.8 | Very high | 91.1 | Very high | 20 Ų | 20 | 57.3 Ų | 57.3 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63 | -41.7 | 177.8 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | E99 K100 V101 | S97-E99 VanDerWaalsContact C-N 3.3Å; S97-E99 PolarHBondContact O-N 3.47Å; S97-K100 PolarHBondContact O-N 3.14Å; S97-V101 WeakPolarHBondContact O-CG2 3.48Å; S97-V101 PolarHBondContact O-N 3.29Å; S97-V101 VanDerWaalsContact O-N 3.08Å |
| 98 | L | 90.8 | Very high | 91 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.9 | -34.5 | 175.1 | -75.7 | 172.7 | 0 | 0 | 0 | 113.5 | L90 S92 N94 V95 C102 H151 R153 V176 | L90-L98 HydrophobicContact CB-CD2 3.95Å; S92-L98 VanDerWaalsContact CB-CG 3.47Å; N94-L98 WeakPolarHBondContact O-CG 3.46Å; N94-L98 PolarHBondContact O-N 2.88Å; V95-L98 PolarHBondContact O-N 3.35Å; L98-C102 WeakPolarHBondContact O-CB 3.4Å; L98-C102 PolarHBondContact O-N 3.5Å; L98-C102 PolarHBondContact O-SG 2.83Å; L98-H151 HydrophobicContact CD1-CB 3.49Å; L98-H151 VanDerWaalsContact CD1-CB 3.49Å; L98-R153 VanDerWaalsContact C-NH1 3.32Å; L98-R153 PolarHBondContact O-NH1 3.03Å; L98-V176 HydrophobicContact CD2-CG1 3.69Å; L98-V176 HydrophobicContact CD2-CG2 4.16Å; L98-V176 HydrophobicContact CG-CG2 4.49Å |
| 99 | E | 90.8 | Very high | 90.9 | Very high | 90 Ų | 90 | 51.5 Ų | 51.5 | 42% | 0.421 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.7 | -40.8 | 178.9 | -74.6 | 173.7 | 177.4 | 0 | 0 | 112.7 | V95 K96 S97 C102 A103 R153 | V95-E99 WeakPolarHBondContact CG1-OE1 3.38Å; V95-E99 WeakPolarHBondContact O-CG 3.19Å; V95-E99 PolarHBondContact O-N 2.93Å; V95-E99 VanDerWaalsContact O-N 3.08Å; K96-E99 PolarHBondContact O-N 3.17Å; S97-E99 VanDerWaalsContact C-N 3.3Å; S97-E99 PolarHBondContact O-N 3.47Å; E99-C102 PolarHBondContact O-N 3.13Å; E99-A103 WeakPolarHBondContact O-CB 3.47Å; E99-A103 PolarHBondContact O-N 3.33Å; E99-R153 VanDerWaalsContact CA-NH1 3.29Å; E99-R153 IonicContact OE1-NH2 3.48Å; E99-R153 PolarHBondContact OE1-NH2 2.95Å |
| 100 | K | 91.8 | Very high | 90.8 | Very high | 122 Ų | 122 | 57.3 Ų | 57.3 | 53% | 0.53 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.7 | -54.5 | 173.3 | -65.1 | 177.9 | 178.7 | -171.8 | 0 | 110.8 | K96 S97 C102 A103 D104 | K96-K100 WeakPolarHBondContact O-CG 3.26Å; K96-K100 PolarHBondContact O-N 3.13Å; S97-K100 PolarHBondContact O-N 3.14Å; K100-C102 VanDerWaalsContact C-N 3.33Å; K100-C102 PolarHBondContact O-N 2.96Å; K100-A103 WeakPolarHBondContact O-CB 3.43Å; K100-A103 PolarHBondContact O-N 2.84Å; K100-D104 PolarHBondContact O-N 2.91Å |
| 101 | V | 91.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59 | -43.2 | -180 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | L90 S97 A103 D104 L105 E173 V176 | L90-V101 HydrophobicContact CD1-CG1 4.18Å; L90-V101 HydrophobicContact CD2-CG1 4.18Å; S97-V101 WeakPolarHBondContact O-CG2 3.48Å; S97-V101 PolarHBondContact O-N 3.29Å; S97-V101 VanDerWaalsContact O-N 3.08Å; V101-A103 VanDerWaalsContact C-N 3.34Å; V101-A103 PolarHBondContact O-N 2.9Å; V101-D104 PolarHBondContact O-N 3.33Å; V101-L105 HydrophobicContact CG1-CD1 3.9Å; V101-L105 HydrophobicContact CG1-CG 4.24Å; V101-L105 WeakPolarHBondContact O-CB 3.3Å; V101-L105 VanDerWaalsContact O-CG 3.22Å; V101-L105 WeakPolarHBondContact O-CG 3.47Å; V101-L105 PolarHBondContact O-N 3.48Å; V101-E173 HydrophobicContact CG2-CB 3.73Å; V101-V176 HydrophobicContact CG2-CG2 4.41Å |
| 102 | C | 91.8 | Very high | 90.5 | Very high | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.034 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 174.6 | -73.2 | 0 | 0 | 0 | 0 | 112.6 | L90 L98 E99 K100 I106 R153 | L90-C102 WeakPolarHBondContact CD1-SG 3.42Å; L98-C102 WeakPolarHBondContact O-CB 3.4Å; L98-C102 PolarHBondContact O-N 3.5Å; L98-C102 PolarHBondContact O-SG 2.83Å; E99-C102 PolarHBondContact O-N 3.13Å; K100-C102 VanDerWaalsContact C-N 3.33Å; K100-C102 PolarHBondContact O-N 2.96Å; C102-I106 VanDerWaalsContact O-CD1 3.24Å; C102-I106 WeakPolarHBondContact O-CD1 3.05Å; C102-I106 WeakPolarHBondContact O-CG1 3.43Å; C102-I106 PolarHBondContact O-N 2.96Å; C102-I106 VanDerWaalsContact O-N 3.14Å; C102-R153 WeakPolarHBondContact SG-CD 3.47Å |
| 103 | A | 91.1 | Very high | 90.2 | Very high | 56 Ų | 56 | 73.1 Ų | 73.1 | 46% | 0.463 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E99 K100 V101 I106 R107 | E99-A103 WeakPolarHBondContact O-CB 3.47Å; E99-A103 PolarHBondContact O-N 3.33Å; K100-A103 WeakPolarHBondContact O-CB 3.43Å; K100-A103 PolarHBondContact O-N 2.84Å; V101-A103 VanDerWaalsContact C-N 3.34Å; V101-A103 PolarHBondContact O-N 2.9Å; A103-I106 PolarHBondContact O-N 3.01Å; A103-R107 WeakPolarHBondContact O-CB 3.15Å; A103-R107 PolarHBondContact O-N 3.29Å |
| 104 | D | 90.9 | Very high | 90 | Very high | 59 Ų | 59 | 66.8 Ų | 66.8 | 32% | 0.316 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 179.6 | -67.1 | -39.9 | 0 | 0 | 0 | 111.8 | K100 V101 I106 R107 G108 | K100-D104 PolarHBondContact O-N 2.91Å; V101-D104 PolarHBondContact O-N 3.33Å; D104-I106 PolarHBondContact O-N 3.07Å; D104-R107 PolarHBondContact O-N 3.11Å; D104-R107 IonicContact OD1-CZ 2.75Å; D104-R107 IonicContact OD1-NH1 3.93Å; D104-R107 IonicContact OD1-NH2 3.89Å; D104-R107 PolarHBondContact OD1-NH2 2.83Å; D104-G108 PolarHBondContact O-N 3.37Å |
| 105 | L | 90.1 | Very high | 89.8 | Confident | 9 Ų | 9 | 70.5 Ų | 70.5 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 174.8 | -70.4 | 174.9 | 0 | 0 | 0 | 112.1 | L90 V101 A109 I155 I167 | L90-L105 HydrophobicContact CD1-CD1 4.07Å; L90-L105 HydrophobicContact CD2-CD1 4.2Å; V101-L105 HydrophobicContact CG1-CD1 3.9Å; V101-L105 HydrophobicContact CG1-CG 4.24Å; V101-L105 WeakPolarHBondContact O-CB 3.3Å; V101-L105 VanDerWaalsContact O-CG 3.22Å; V101-L105 WeakPolarHBondContact O-CG 3.47Å; V101-L105 PolarHBondContact O-N 3.48Å; L105-A109 VanDerWaalsContact O-CB 3.27Å; L105-A109 WeakPolarHBondContact O-CB 3.39Å; L105-A109 PolarHBondContact O-N 3.44Å; L105-I155 HydrophobicContact CB-CD1 4.21Å; L105-I155 HydrophobicContact CD1-CD1 3.93Å; L105-I167 HydrophobicContact CD2-CG2 3.67Å |
| 106 | I | 90.9 | Very high | 89.8 | Confident | 35 Ų | 35 | 70 Ų | 70 | 18% | 0.179 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 176.4 | -66.3 | 161.1 | 0 | 0 | 0 | 110.5 | C102 A103 D104 K110 P119 | C102-I106 VanDerWaalsContact O-CD1 3.24Å; C102-I106 WeakPolarHBondContact O-CD1 3.05Å; C102-I106 WeakPolarHBondContact O-CG1 3.43Å; C102-I106 PolarHBondContact O-N 2.96Å; C102-I106 VanDerWaalsContact O-N 3.14Å; A103-I106 PolarHBondContact O-N 3.01Å; D104-I106 PolarHBondContact O-N 3.07Å; I106-K110 HydrophobicContact CG2-CD 4.15Å; I106-K110 WeakPolarHBondContact O-CB 3.24Å; I106-K110 VanDerWaalsContact O-CG 3.26Å; I106-K110 WeakPolarHBondContact O-CG 3.41Å; I106-K110 PolarHBondContact O-N 3.28Å; I106-P119 HydrophobicContact CD1-CG 3.81Å |
| 107 | R | 91.1 | Very high | 89.7 | Confident | 145 Ų | 145 | 67.3 Ų | 67.3 | 55% | 0.547 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.8 | -49.8 | 176.5 | -174.7 | 178 | 64.1 | -142.1 | -14.6 | 110.9 | A103 D104 A109 K110 E111 | A103-R107 WeakPolarHBondContact O-CB 3.15Å; A103-R107 PolarHBondContact O-N 3.29Å; D104-R107 PolarHBondContact O-N 3.11Å; D104-R107 IonicContact OD1-CZ 2.75Å; D104-R107 IonicContact OD1-NH1 3.93Å; D104-R107 IonicContact OD1-NH2 3.89Å; D104-R107 PolarHBondContact OD1-NH2 2.83Å; R107-A109 VanDerWaalsContact C-N 3.29Å; R107-A109 PolarHBondContact O-N 3.41Å; R107-K110 WeakPolarHBondContact O-CB 3.39Å; R107-K110 PolarHBondContact O-N 3.42Å; R107-K110 VanDerWaalsContact O-N 3.1Å; R107-E111 WeakPolarHBondContact CG-OE1 3.48Å; R107-E111 IonicContact NE-OE1 3.86Å; R107-E111 WeakPolarHBondContact O-CG 3.46Å; R107-E111 PolarHBondContact O-N 3.16Å |
| 108 | G | 89.2 | Confident | 89.4 | Confident | 13 Ų | 13 | 68.5 Ų | 68.5 | 13% | 0.134 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.3 | -32.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D104 K112 | D104-G108 PolarHBondContact O-N 3.37Å; G108-K112 WeakPolarHBondContact O-CG 3.16Å; G108-K112 PolarHBondContact O-N 3.32Å |
| 109 | A | 89.7 | Confident | 89.5 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.008 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -74.1 | -32.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | L105 R107 N113 L114 V116 L157 | L105-A109 VanDerWaalsContact O-CB 3.27Å; L105-A109 WeakPolarHBondContact O-CB 3.39Å; L105-A109 PolarHBondContact O-N 3.44Å; R107-A109 VanDerWaalsContact C-N 3.29Å; R107-A109 PolarHBondContact O-N 3.41Å; A109-N113 PolarHBondContact O-N 3.47Å; A109-L114 PolarHBondContact O-N 3Å; A109-V116 HydrophobicContact CB-CG2 3.37Å; A109-L157 HydrophobicContact CB-CD2 4.33Å |
| 110 | K | 89.1 | Confident | 89.6 | Confident | 141 Ų | 141 | 69.2 Ų | 69.2 | 61% | 0.613 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -70 | -41.2 | 174 | -76.3 | 175.1 | 178.7 | -175.2 | 0 | 112.3 | I106 R107 K112 N113 | I106-K110 HydrophobicContact CG2-CD 4.15Å; I106-K110 WeakPolarHBondContact O-CB 3.24Å; I106-K110 VanDerWaalsContact O-CG 3.26Å; I106-K110 WeakPolarHBondContact O-CG 3.41Å; I106-K110 PolarHBondContact O-N 3.28Å; R107-K110 WeakPolarHBondContact O-CB 3.39Å; R107-K110 PolarHBondContact O-N 3.42Å; R107-K110 VanDerWaalsContact O-N 3.1Å; K110-K112 PolarHBondContact O-N 3.39Å; K110-N113 PolarHBondContact O-N 3.21Å |
| 111 | E | 90.2 | Very high | 89.7 | Confident | 136 Ų | 136 | 71 Ų | 71 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -57.9 | -35.1 | 175.6 | -72.8 | 168.2 | -167.2 | 0 | 0 | 111.8 | R107 | R107-E111 WeakPolarHBondContact CG-OE1 3.48Å; R107-E111 IonicContact NE-OE1 3.86Å; R107-E111 WeakPolarHBondContact O-CG 3.46Å; R107-E111 PolarHBondContact O-N 3.16Å |
| 112 | K | 86.8 | Confident | 89.7 | Confident | 76 Ų | 76 | 75.2 Ų | 75.2 | 33% | 0.33 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 7.3 | 177 | -58.8 | -171.4 | -169.5 | -172.7 | 0 | 114.2 | G108 K110 L114 I163 I167 | G108-K112 WeakPolarHBondContact O-CG 3.16Å; G108-K112 PolarHBondContact O-N 3.32Å; K110-K112 PolarHBondContact O-N 3.39Å; K112-L114 VanDerWaalsContact C-N 3.31Å; K112-L114 HydrophobicContact CB-CG 4.26Å; K112-L114 PolarHBondContact O-N 3.19Å; K112-I163 HydrophobicContact CD-CG2 3.52Å; K112-I167 HydrophobicContact CD-CD1 4.08Å; K112-I167 HydrophobicContact CD-CG1 4.11Å |
| 113 | N | 85.8 | Confident | 89.8 | Confident | 147 Ų | 147 | 80 Ų | 80 | 79% | 0.786 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 37.4 | 179.2 | -58.1 | -62.7 | 0 | 0 | 0 | 114.9 | A109 K110 | A109-N113 PolarHBondContact O-N 3.47Å; K110-N113 PolarHBondContact O-N 3.21Å |
| 114 | L | 86.2 | Confident | 89.9 | Confident | 32 Ų | 32 | 80.4 Ų | 80.4 | 17% | 0.168 | 41% | 0.405 | C | S | . | . | trans | -85.7 | 150.9 | 176.5 | -60 | -179.8 | 0 | 0 | 0 | 111.9 | A109 K112 V116 I163 I167 | A109-L114 PolarHBondContact O-N 3Å; K112-L114 VanDerWaalsContact C-N 3.31Å; K112-L114 HydrophobicContact CB-CG 4.26Å; K112-L114 PolarHBondContact O-N 3.19Å; L114-V116 PolarHBondContact O-N 3.25Å; L114-I163 HydrophobicContact CD1-CG2 4.02Å; L114-I167 HydrophobicContact CD1-CD1 4.2Å | ||
| 115 | K | 87.1 | Confident | 90 | Very high | 164 Ų | 164 | 84 Ų | 84 | 71% | 0.713 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 103.9 | 173.7 | -66.9 | 179.6 | -177.6 | 176.6 | 0 | 109.5 | H158 | K115-H158 HydrophobicContact CB-CB 4.32Å; K115-H158 PolarHBondContact O-N 3.08Å |
| 116 | V | 89.4 | Confident | 90.1 | Very high | 45 Ų | 45 | 86.7 Ų | 86.7 | 27% | 0.273 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128.5 | -179.2 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | A109 L114 I155 L157 | A109-V116 HydrophobicContact CB-CG2 3.37Å; L114-V116 PolarHBondContact O-N 3.25Å; V116-I155 HydrophobicContact CG1-CG2 4.17Å; V116-L157 HydrophobicContact CB-CD2 4.02Å; V116-L157 HydrophobicContact CG1-CD2 3.85Å; V116-L157 HydrophobicContact CG2-CD2 3.63Å |
| 117 | K | 88.4 | Confident | 90.3 | Very high | 114 Ų | 114 | 89.6 Ų | 89.6 | 50% | 0.496 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 130.5 | 158.4 | -64.7 | -179.6 | -179.3 | 174.8 | 0 | 107.8 | D156 | K117-D156 HydrophobicContact CB-CB 4.13Å; K117-D156 HydrophobicContact CD-CB 4.16Å; K117-D156 PolarHBondContact N-O 3.35Å |
| 118 | G | 85.1 | Confident | 90.4 | Very high | 46 Ų | 46 | 91 Ų | 91 | 47% | 0.474 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 165.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V120 | G118-V120 PolarHBondContact O-N 3.33Å; G118-V120 VanDerWaalsContact O-N 3.09Å |
| 119 | P | 91.8 | Very high | 90.7 | Very high | 35 Ų | 35 | 95.3 Ų | 95.3 | 23% | 0.227 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 112.2 | -174.5 | 27.9 | -33.8 | 0 | 0 | 0 | 110.6 | I106 R121 L154 I155 | I106-P119 HydrophobicContact CD1-CG 3.81Å; P119-R121 PolarHBondContact O-N 3.42Å; P119-L154 CarbonylContact C-O 3.58Å; P119-L154 WeakPolarHBondContact CA-O 3.38Å; P119-I155 HydrophobicContact CB-CG1 4.17Å |
| 120 | V | 94 | Very high | 90.9 | Very high | 69 Ų | 69 | 99.2 Ų | 99.2 | 42% | 0.418 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 119.4 | 175.2 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | G118 R153 L154 | G118-V120 PolarHBondContact O-N 3.33Å; G118-V120 VanDerWaalsContact O-N 3.09Å; V120-R153 WeakPolarHBondContact O-CA 3.42Å; V120-L154 HydrophobicContact CB-CB 4.33Å; V120-L154 PolarHBondContact N-O 3.48Å; V120-L154 PolarHBondContact O-N 3Å |
| 121 | R | 92.8 | Very high | 91 | Very high | 159 Ų | 159 | 95.3 Ų | 95.3 | 60% | 0.6 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 112.6 | 178.7 | -70.3 | 175.5 | 173.6 | 76.9 | -4.8 | 109 | P119 | P119-R121 PolarHBondContact O-N 3.42Å |
| 122 | M | 93.2 | Very high | 91 | Very high | 92 Ų | 92 | 93 Ų | 93 | 45% | 0.453 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 150 | 171.4 | -67.9 | -62.4 | -76.8 | 0 | 0 | 110 | K152 L154 | M122-K152 HydrophobicContact CB-CB 4.17Å; M122-K152 PolarHBondContact N-O 3Å; M122-L154 HydrophobicContact CG-CD1 3.73Å; M122-L154 HydrophobicContact CG-CG 4.33Å; M122-L154 HydrophobicContact SD-CD1 4.08Å |
| 123 | P | 93.6 | Very high | 91.1 | Very high | 106 Ų | 106 | 95 Ų | 95 | 69% | 0.688 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 144.9 | 176.3 | 24.6 | -33.7 | 0 | 0 | 0 | 110.8 | ||
| 124 | T | 93.4 | Very high | 91.1 | Very high | 65 Ų | 65 | 89.9 Ų | 89.9 | 40% | 0.399 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -80 | 126 | -173.7 | 64.2 | 0 | 0 | 0 | 0 | 110 | T126 I150 H151 | T124-T126 PolarHBondContact O-N 3.22Å; T124-I150 WeakPolarHBondContact CA-O 3.36Å; T124-H151 VanDerWaalsContact CG2-CE1 3.43Å; T124-H151 WeakPolarHBondContact CG2-CE1 3.49Å; T124-H151 WeakPolarHBondContact CG2-ND1 3.27Å |
| 125 | K | 92.7 | Very high | 91.2 | Very high | 135 Ų | 135 | 94.8 Ų | 94.8 | 59% | 0.587 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 122.3 | 174.3 | -62.1 | -171.5 | 179.5 | -170.6 | 0 | 108.5 | I150 | K125-I150 PolarHBondContact N-O 3.37Å; K125-I150 VanDerWaalsContact N-O 3.13Å; K125-I150 PolarHBondContact O-N 3.49Å |
| 126 | T | 92.8 | Very high | 90.8 | Very high | 65 Ų | 65 | 91.4 Ų | 91.4 | 40% | 0.399 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 112.4 | 176.2 | 60.4 | 0 | 0 | 0 | 0 | 109.6 | T124 M148 R149 | T124-T126 PolarHBondContact O-N 3.22Å; T126-M148 CarbonylContact C-O 3.6Å; T126-M148 WeakPolarHBondContact CA-O 3.43Å; T126-R149 HydrophobicContact CG2-CG 4.25Å |
| 127 | L | 93.6 | Very high | 90.2 | Very high | 95 Ų | 95 | 92 Ų | 92 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 128.8 | 172.7 | -56 | 177.5 | 0 | 0 | 0 | 108 | Q147 M148 I150 | L127-Q147 WeakPolarHBondContact O-CA 3.36Å; L127-M148 HydrophobicContact CB-CB 4.35Å; L127-M148 PolarHBondContact N-O 2.86Å; L127-M148 PolarHBondContact O-N 2.91Å; L127-I150 HydrophobicContact CD1-CD1 3.89Å |
| 128 | R | 94.2 | Very high | 89.8 | Confident | 176 Ų | 176 | 94.5 Ų | 94.5 | 66% | 0.664 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 128.8 | -178.1 | -61.3 | 177.6 | 73.7 | 168.9 | 3 | 108.7 | F146 | R128-F146 WeakPolarHBondContact CA-O 3.44Å |
| 129 | I | 95.1 | Very high | 89.7 | Confident | 103 Ų | 103 | 95.1 Ų | 95.1 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 130.8 | 171.6 | -60.6 | 175.2 | 0 | 0 | 0 | 106.9 | T131 F146 | I129-T131 HydrophobicContact CG2-CG2 4.04Å; I129-F146 PolarHBondContact N-O 2.75Å; I129-F146 PolarHBondContact O-N 2.99Å |
| 130 | T | 93.8 | Very high | 89.3 | Confident | 82 Ų | 82 | 97.2 Ų | 97.2 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 120 | 175.3 | 54.8 | 0 | 0 | 0 | 0 | 109.7 | D144 R145 | T130-D144 VanDerWaalsContact CA-O 3.27Å; T130-D144 WeakPolarHBondContact CA-O 3.48Å; T130-R145 HydrophobicContact CG2-CG 4.11Å |
| 131 | T | 90.8 | Very high | 88.8 | Confident | 60 Ų | 60 | 102.8 Ų | 102.8 | 37% | 0.368 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124 | 160 | 177.6 | 53.8 | 0 | 0 | 0 | 0 | 109.8 | I129 W143 D144 | I129-T131 HydrophobicContact CG2-CG2 4.04Å; T131-W143 WeakPolarHBondContact O-CA 3.45Å; T131-D144 PolarHBondContact N-O 2.88Å; T131-D144 PolarHBondContact O-N 2.9Å |
| 132 | R | 89.9 | Confident | 88.7 | Confident | 88 Ų | 88 | 97.6 Ų | 97.6 | 33% | 0.332 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 145.6 | 165.9 | -70.4 | -168.5 | 67.3 | 178.7 | -1.9 | 109.3 | T134 G137 W143 | R132-T134 PolarHBondContact NH2-OG1 3.14Å; R132-G137 PolarHBondContact NH1-O 2.99Å; R132-G137 PolarHBondContact NH2-O 3.31Å; R132-W143 HydrophobicContact CG-CD2 4.43Å; R132-W143 HydrophobicContact CG-CE3 4.04Å; R132-W143 HydrophobicContact CG-CH2 3.96Å; R132-W143 HydrophobicContact CG-CZ2 4.33Å; R132-W143 HydrophobicContact CG-CZ3 3.8Å |
| 133 | K | 88.9 | Confident | 88.5 | Confident | 117 Ų | 117 | 100.2 Ų | 100.2 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -70.4 | -37 | 171.5 | -78.3 | 178.2 | 179.1 | 172.5 | 0 | 111.9 | T142 D144 | K133-T142 PolarHBondContact N-O 3.08Å; K133-D144 WeakPolarHBondContact CE-OD1 3.43Å; K133-D144 HydrophobicContact CG-CB 4.32Å; K133-D144 WeakPolarHBondContact CG-OD1 3.43Å; K133-D144 VanDerWaalsContact CG-OD2 3.29Å; K133-D144 WeakPolarHBondContact CG-OD2 3.36Å; K133-D144 IonicContact NZ-OD1 2.92Å |
| 134 | T | 87.2 | Confident | 88.5 | Confident | 40 Ų | 40 | 97.4 Ų | 97.4 | 25% | 0.245 | 52% | 0.523 | C | S | . | . | trans | -82.8 | 138.6 | -175.8 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | R132 | R132-T134 PolarHBondContact NH2-OG1 3.14Š| ||
| 135 | P | 87.7 | Confident | 88.4 | Confident | 134 Ų | 134 | 102.4 Ų | 102.4 | 87% | 0.87 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -76.9 | -38.7 | 179.3 | 29.1 | -33.5 | 0 | 0 | 0 | 112.5 | ||
| 136 | C | 78.8 | Confident | 88.5 | Confident | 94 Ų | 94 | 99.1 Ų | 99.1 | 64% | 0.635 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -112.7 | 141.5 | 177.4 | -53.9 | 0 | 0 | 0 | 0 | 108.1 | E138 | C136-E138 PolarHBondContact O-N 2.96Š|
| 137 | G | 76.8 | Confident | 88.5 | Confident | 57 Ų | 57 | 99.1 Ų | 99.1 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -60.2 | -7.6 | -163.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | R132 | R132-G137 PolarHBondContact NH1-O 2.99Å; R132-G137 PolarHBondContact NH2-O 3.31Å |
| 138 | E | 80.9 | Confident | 88.4 | Confident | 166 Ų | 166 | 97.4 Ų | 97.4 | 78% | 0.776 | 51% | 0.506 | S | S | * | . | trans | -66.8 | 146.3 | 173.8 | -75.4 | -65.9 | 163.2 | 0 | 0 | 112.7 | C136 | C136-E138 PolarHBondContact O-N 2.96Š| ||
| 139 | G | 80.9 | Confident | 88.3 | Confident | 59 Ų | 59 | 93.9 Ų | 93.9 | 61% | 0.608 | 49% | 0.493 | S | S | * | . | S | Bend | trans | 94.6 | -170 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 140 | S | 83.4 | Confident | 88.3 | Confident | 79 Ų | 79 | 91.3 Ų | 91.3 | 55% | 0.552 | 48% | 0.48 | S | S | * | . | trans | -70.5 | 145.2 | -172.3 | 56.4 | 0 | 0 | 0 | 0 | 113 | T142 | S140-T142 PolarHBondContact O-N 3.41Š| ||
| 141 | K | 84.4 | Confident | 88.2 | Confident | 186 Ų | 186 | 88.8 Ų | 88.8 | 81% | 0.809 | 46% | 0.462 | S | S | * | . | trans | -74.2 | 66.5 | 178.8 | -63.3 | -179.3 | -175.9 | 177.7 | 0 | 111.2 | ||||
| 142 | T | 89.8 | Confident | 88.4 | Confident | 50 Ų | 50 | 89.8 Ų | 89.8 | 31% | 0.307 | 46% | 0.461 | S | S | . | . | trans | -98.1 | 139.1 | 177.5 | 56.5 | 0 | 0 | 0 | 0 | 111 | K133 S140 | K133-T142 PolarHBondContact N-O 3.08Å; S140-T142 PolarHBondContact O-N 3.41Å | ||
| 143 | W | 90.6 | Very high | 88.5 | Confident | 147 Ų | 147 | 86.2 Ų | 86.2 | 56% | 0.557 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 138 | -175.7 | -61.3 | 87.4 | 0 | 0 | 0 | 110 | T131 R132 | T131-W143 WeakPolarHBondContact O-CA 3.45Å; R132-W143 HydrophobicContact CG-CD2 4.43Å; R132-W143 HydrophobicContact CG-CE3 4.04Å; R132-W143 HydrophobicContact CG-CH2 3.96Å; R132-W143 HydrophobicContact CG-CZ2 4.33Å; R132-W143 HydrophobicContact CG-CZ3 3.8Å |
| 144 | D | 92.1 | Very high | 88.7 | Confident | 48 Ų | 48 | 82.8 Ų | 82.8 | 26% | 0.257 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 140.6 | 167.7 | -83.9 | -31.7 | 0 | 0 | 0 | 110.2 | T130 T131 K133 F146 | T130-D144 VanDerWaalsContact CA-O 3.27Å; T130-D144 WeakPolarHBondContact CA-O 3.48Å; T131-D144 PolarHBondContact N-O 2.88Å; T131-D144 PolarHBondContact O-N 2.9Å; K133-D144 WeakPolarHBondContact CE-OD1 3.43Å; K133-D144 HydrophobicContact CG-CB 4.32Å; K133-D144 WeakPolarHBondContact CG-OD1 3.43Å; K133-D144 VanDerWaalsContact CG-OD2 3.29Å; K133-D144 WeakPolarHBondContact CG-OD2 3.36Å; K133-D144 IonicContact NZ-OD1 2.92Å; D144-F146 HydrophobicContact CB-CD2 4.16Å; D144-F146 HydrophobicContact CB-CE2 3.49Å; D144-F146 VanDerWaalsContact CB-CE2 3.49Å; D144-F146 HydrophobicContact CB-CZ 3.73Å |
| 145 | R | 93.3 | Very high | 89 | Confident | 170 Ų | 170 | 81 Ų | 81 | 64% | 0.642 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 92.5 | 177.2 | -68.2 | -176.3 | 163.2 | 134.5 | -1.4 | 109.7 | T130 | T130-R145 HydrophobicContact CG2-CG 4.11Å |
| 146 | F | 94 | Very high | 89.1 | Confident | 65 Ų | 65 | 76 Ų | 76 | 29% | 0.285 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 132.1 | 175 | -61.2 | -68.7 | 0 | 0 | 0 | 110.1 | Y12 R128 I129 D144 | Y12-F146 AromaticContact CD1-CD1 3.85Å; Y12-F146 HydrophobicContact CD1-CD1 3.85Å; Y12-F146 HydrophobicContact CD1-CE1 4.35Å; Y12-F146 HydrophobicContact CE1-CB 4.01Å; Y12-F146 AromaticContact CE1-CD1 3.59Å; Y12-F146 HydrophobicContact CE1-CD1 3.59Å; Y12-F146 HydrophobicContact CE1-CE1 4.47Å; Y12-F146 HydrophobicContact CE1-CG 4.11Å; R128-F146 WeakPolarHBondContact CA-O 3.44Å; I129-F146 PolarHBondContact N-O 2.75Å; I129-F146 PolarHBondContact O-N 2.99Å; D144-F146 HydrophobicContact CB-CD2 4.16Å; D144-F146 HydrophobicContact CB-CE2 3.49Å; D144-F146 VanDerWaalsContact CB-CE2 3.49Å; D144-F146 HydrophobicContact CB-CZ 3.73Å |
| 147 | Q | 92.6 | Very high | 89.6 | Confident | 66 Ų | 66 | 71.8 Ų | 71.8 | 31% | 0.308 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 128.1 | 174 | -174.5 | 177 | 62.3 | 0 | 0 | 110.5 | L127 R149 | L127-Q147 WeakPolarHBondContact O-CA 3.36Å; Q147-R149 HydrophobicContact CG-CG 4.32Å; Q147-R149 VanDerWaalsContact OE1-NE 3.09Å |
| 148 | M | 92.1 | Very high | 90.1 | Very high | 58 Ų | 58 | 71.7 Ų | 71.7 | 29% | 0.286 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 137.8 | 164.7 | -167.8 | 176.3 | -61.7 | 0 | 0 | 109.4 | Y12 T126 L127 | Y12-M148 HydrophobicContact CE2-CE 4.48Å; T126-M148 CarbonylContact C-O 3.6Å; T126-M148 WeakPolarHBondContact CA-O 3.43Å; L127-M148 HydrophobicContact CB-CB 4.35Å; L127-M148 PolarHBondContact N-O 2.86Å; L127-M148 PolarHBondContact O-N 2.91Å |
| 149 | R | 92.5 | Very high | 90.2 | Very high | 103 Ų | 103 | 63.9 Ų | 63.9 | 39% | 0.389 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.3 | 175.8 | -59.7 | -169.7 | 175.1 | -174.8 | -6.2 | 109 | R15 T126 Q147 | R15-R149 VanDerWaalsContact NH2-CZ 3.33Å; T126-R149 HydrophobicContact CG2-CG 4.25Å; Q147-R149 HydrophobicContact CG-CG 4.32Å; Q147-R149 VanDerWaalsContact OE1-NE 3.09Å |
| 150 | I | 94 | Very high | 90.5 | Very high | 48 Ų | 48 | 62.1 Ų | 62.1 | 25% | 0.246 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120.3 | 174.2 | -58 | 172 | 0 | 0 | 0 | 107.4 | T124 K125 L127 K152 | T124-I150 WeakPolarHBondContact CA-O 3.36Å; K125-I150 PolarHBondContact N-O 3.37Å; K125-I150 VanDerWaalsContact N-O 3.13Å; K125-I150 PolarHBondContact O-N 3.49Å; L127-I150 HydrophobicContact CD1-CD1 3.89Å; I150-K152 HydrophobicContact CG2-CG 4.31Å |
| 151 | H | 92.7 | Very high | 90.6 | Very high | 30 Ų | 30 | 60 Ų | 60 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126 | 177.4 | -61.7 | -84.4 | 0 | 0 | 0 | 108.1 | S92 V95 L98 T124 | S92-H151 PolarHBondContact N-O 3.5Å; S92-H151 VanDerWaalsContact N-O 3.14Å; S92-H151 PolarHBondContact O-N 2.91Å; V95-H151 WeakPolarHBondContact CG2-NE2 3.45Å; L98-H151 HydrophobicContact CD1-CB 3.49Å; L98-H151 VanDerWaalsContact CD1-CB 3.49Å; T124-H151 VanDerWaalsContact CG2-CE1 3.43Å; T124-H151 WeakPolarHBondContact CG2-CE1 3.49Å; T124-H151 WeakPolarHBondContact CG2-ND1 3.27Å |
| 152 | K | 93.2 | Very high | 90.7 | Very high | 80 Ų | 80 | 56.6 Ų | 56.6 | 35% | 0.348 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 136 | 176.2 | -62.9 | -161 | 173.2 | -156.1 | 0 | 109.8 | L90 T91 M122 I150 | L90-K152 WeakPolarHBondContact O-CA 3.42Å; T91-K152 HydrophobicContact CG2-CD 4.17Å; T91-K152 HydrophobicContact CG2-CG 4Å; M122-K152 HydrophobicContact CB-CB 4.17Å; M122-K152 PolarHBondContact N-O 3Å; I150-K152 HydrophobicContact CG2-CG 4.31Å |
| 153 | R | 93.3 | Very high | 90.6 | Very high | 13 Ų | 13 | 56.6 Ų | 56.6 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 145.3 | 175.5 | -61.9 | -179.7 | 180 | -177.8 | -3.6 | 109.3 | L90 L98 E99 C102 V120 | L90-R153 HydrophobicContact CB-CB 4.38Å; L90-R153 PolarHBondContact N-O 3Å; L90-R153 PolarHBondContact O-N 3.4Å; L98-R153 VanDerWaalsContact C-NH1 3.32Å; L98-R153 PolarHBondContact O-NH1 3.03Å; E99-R153 VanDerWaalsContact CA-NH1 3.29Å; E99-R153 IonicContact OE1-NH2 3.48Å; E99-R153 PolarHBondContact OE1-NH2 2.95Å; C102-R153 WeakPolarHBondContact SG-CD 3.47Å; V120-R153 WeakPolarHBondContact O-CA 3.42Å |
| 154 | L | 92.3 | Very high | 90.4 | Very high | 46 Ų | 46 | 49.7 Ų | 49.7 | 24% | 0.241 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.2 | -178.6 | -63.5 | 163 | 0 | 0 | 0 | 108.7 | I88 T89 P119 V120 M122 | I88-L154 WeakPolarHBondContact O-CA 3.22Å; T89-L154 HydrophobicContact CG2-CD2 3.84Å; T89-L154 WeakPolarHBondContact OG1-CD2 3.47Å; P119-L154 CarbonylContact C-O 3.58Å; P119-L154 WeakPolarHBondContact CA-O 3.38Å; V120-L154 HydrophobicContact CB-CB 4.33Å; V120-L154 PolarHBondContact N-O 3.48Å; V120-L154 PolarHBondContact O-N 3Å; M122-L154 HydrophobicContact CG-CD1 3.73Å; M122-L154 HydrophobicContact CG-CG 4.33Å; M122-L154 HydrophobicContact SD-CD1 4.08Å |
| 155 | I | 92.9 | Very high | 90.1 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.015 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 121.7 | 171.9 | -58.7 | 171.6 | 0 | 0 | 0 | 106.6 | I88 L90 L105 V116 P119 L157 | I88-I155 HydrophobicContact CB-CB 4.47Å; I88-I155 PolarHBondContact N-O 3.41Å; I88-I155 PolarHBondContact O-N 3.3Å; L90-I155 HydrophobicContact CD1-CD1 4.23Å; L105-I155 HydrophobicContact CB-CD1 4.21Å; L105-I155 HydrophobicContact CD1-CD1 3.93Å; V116-I155 HydrophobicContact CG1-CG2 4.17Å; P119-I155 HydrophobicContact CB-CG1 4.17Å; I155-L157 HydrophobicContact CG2-CD2 4.17Å; I155-L157 HydrophobicContact CG2-CG 4.3Å |
| 156 | D | 90.8 | Very high | 89.8 | Confident | 27 Ų | 27 | 51.3 Ų | 51.3 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130 | 175.4 | -61.4 | -49.1 | 0 | 0 | 0 | 109.4 | I86 R87 K117 | I86-D156 WeakPolarHBondContact O-CA 3.45Å; R87-D156 WeakPolarHBondContact CB-OD1 3.27Å; R87-D156 VanDerWaalsContact CG-OD1 3.29Å; R87-D156 WeakPolarHBondContact CG-OD1 3.35Å; R87-D156 IonicContact CZ-OD1 3.85Å; R87-D156 IonicContact NE-OD1 3Å; R87-D156 PolarHBondContact NE-OD1 3.44Å; R87-D156 IonicContact NH2-OD1 3.25Å; R87-D156 IonicContact NH2-OD2 2.72Å; K117-D156 HydrophobicContact CB-CB 4.13Å; K117-D156 HydrophobicContact CD-CB 4.16Å; K117-D156 PolarHBondContact N-O 3.35Å |
| 157 | L | 89.2 | Confident | 89.4 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 145.7 | 178.7 | -63.2 | 179.6 | 0 | 0 | 0 | 110.7 | I86 I88 A109 V116 I155 V164 | I86-L157 PolarHBondContact N-O 3.1Å; I86-L157 PolarHBondContact O-N 3.08Å; I88-L157 HydrophobicContact CD1-CD1 3.59Å; I88-L157 HydrophobicContact CD1-CG 4.39Å; A109-L157 HydrophobicContact CB-CD2 4.33Å; V116-L157 HydrophobicContact CB-CD2 4.02Å; V116-L157 HydrophobicContact CG1-CD2 3.85Å; V116-L157 HydrophobicContact CG2-CD2 3.63Å; I155-L157 HydrophobicContact CG2-CD2 4.17Å; I155-L157 HydrophobicContact CG2-CG 4.3Å; L157-V164 HydrophobicContact CD1-CG2 4.21Å |
| 158 | H | 87.6 | Confident | 89.1 | Confident | 54 Ų | 54 | 47.2 Ų | 47.2 | 25% | 0.25 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 97 | 171.4 | -64.2 | -70.9 | 0 | 0 | 0 | 108.8 | K115 | K115-H158 HydrophobicContact CB-CB 4.32Å; K115-H158 PolarHBondContact O-N 3.08Å |
| 159 | S | 83.9 | Confident | 88.4 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -169.4 | 158.9 | -173.2 | 50 | 0 | 0 | 0 | 0 | 111.2 | H84 I86 V164 | H84-S159 PolarHBondContact O-N 3.1Å; I86-S159 VanDerWaalsContact CD1-O 3.3Å; I86-S159 WeakPolarHBondContact CD1-O 3.44Å; S159-V164 WeakPolarHBondContact OG-CG2 3.4Å |
| 160 | P | 86.9 | Confident | 87.7 | Confident | 22 Ų | 22 | 50 Ų | 50 | 14% | 0.143 | 25% | 0.254 | C | S | . | . | trans | -64.5 | 152.6 | 169.8 | 28.7 | -35.9 | 0 | 0 | 0 | 111.7 | V81 E162 I163 | V81-P160 HydrophobicContact CB-CB 4.18Å; V81-P160 HydrophobicContact CB-CG 4.19Å; V81-P160 HydrophobicContact CG1-CB 3.89Å; V81-P160 HydrophobicContact CG1-CG 3.85Å; P160-E162 VanDerWaalsContact C-N 3.32Å; P160-E162 PolarHBondContact O-N 2.9Å; P160-I163 HydrophobicContact CG-CD1 3.68Å; P160-I163 HydrophobicContact CG-CG1 4.05Å; P160-I163 PolarHBondContact O-N 3.01Å | ||
| 161 | S | 84.8 | Confident | 86.9 | Confident | 34 Ų | 34 | 49 Ų | 49 | 24% | 0.238 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.4 | -25.8 | -171.5 | 66.8 | 0 | 0 | 0 | 0 | 114.1 | V164 K165 | S161-V164 PolarHBondContact O-N 3.15Å; S161-K165 WeakPolarHBondContact O-CG 3.41Å; S161-K165 PolarHBondContact O-N 3.12Å |
| 162 | E | 86.4 | Confident | 86.2 | Confident | 115 Ų | 115 | 54.3 Ų | 54.3 | 54% | 0.537 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 179.2 | -76 | 173.9 | 152.5 | 0 | 0 | 112.7 | P160 V164 K165 Q166 | P160-E162 VanDerWaalsContact C-N 3.32Å; P160-E162 PolarHBondContact O-N 2.9Å; E162-V164 VanDerWaalsContact C-N 3.29Å; E162-V164 PolarHBondContact O-N 2.65Å; E162-K165 PolarHBondContact O-N 2.84Å; E162-Q166 PolarHBondContact O-N 2.83Å |
| 163 | I | 86.7 | Confident | 85.6 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 26% | 0.256 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.3 | -35.3 | -178.8 | -55.8 | 176.6 | 0 | 0 | 0 | 110.5 | K112 L114 P160 Q166 I167 | K112-I163 HydrophobicContact CD-CG2 3.52Å; L114-I163 HydrophobicContact CD1-CG2 4.02Å; P160-I163 HydrophobicContact CG-CD1 3.68Å; P160-I163 HydrophobicContact CG-CG1 4.05Å; P160-I163 PolarHBondContact O-N 3.01Å; I163-Q166 PolarHBondContact O-N 2.92Å; I163-I167 HydrophobicContact CG2-CD1 4.23Å; I163-I167 WeakPolarHBondContact O-CG1 3.46Å; I163-I167 PolarHBondContact O-N 3.4Å |
| 164 | V | 86.6 | Confident | 85 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.1 | -42.8 | 179.4 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | I86 I88 L157 S159 S161 E162 Q166 I167 T168 V180 | I86-V164 HydrophobicContact CD1-CB 4.35Å; I86-V164 HydrophobicContact CD1-CG2 3.66Å; I86-V164 HydrophobicContact CG2-CG1 4.4Å; I88-V164 HydrophobicContact CD1-CG1 3.95Å; I88-V164 HydrophobicContact CG1-CG1 4.45Å; L157-V164 HydrophobicContact CD1-CG2 4.21Å; S159-V164 WeakPolarHBondContact OG-CG2 3.4Å; S161-V164 PolarHBondContact O-N 3.15Å; E162-V164 VanDerWaalsContact C-N 3.29Å; E162-V164 PolarHBondContact O-N 2.65Å; V164-Q166 VanDerWaalsContact C-N 3.25Å; V164-Q166 PolarHBondContact O-N 3.35Å; V164-I167 PolarHBondContact O-N 3.25Å; V164-T168 HydrophobicContact CG1-CG2 4.25Å; V164-T168 PolarHBondContact O-N 2.87Å; V164-T168 PolarHBondContact O-OG1 2.87Å; V164-T168 VanDerWaalsContact O-OG1 3.11Å; V164-V180 HydrophobicContact CG1-CG1 4.26Å |
| 165 | K | 86.4 | Confident | 84.5 | Confident | 140 Ų | 140 | 58.9 Ų | 58.9 | 61% | 0.609 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -57.3 | -39.4 | 177.2 | -70.3 | 172.4 | -176.4 | 175.9 | 0 | 112.2 | S161 E162 T168 S169 | S161-K165 WeakPolarHBondContact O-CG 3.41Å; S161-K165 PolarHBondContact O-N 3.12Å; E162-K165 PolarHBondContact O-N 2.84Å; K165-T168 WeakPolarHBondContact CA-OG1 3.37Å; K165-T168 PolarHBondContact O-OG1 2.92Å; K165-S169 PolarHBondContact O-N 3.2Å; K165-S169 PolarHBondContact O-OG 3.4Å |
| 166 | Q | 86.3 | Confident | 84.3 | Confident | 112 Ų | 112 | 59.7 Ų | 59.7 | 52% | 0.523 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.6 | -33.3 | 176.9 | -65.4 | 173.2 | -4 | 0 | 0 | 113.4 | E162 I163 V164 S169 I170 | E162-Q166 PolarHBondContact O-N 2.83Å; I163-Q166 PolarHBondContact O-N 2.92Å; V164-Q166 VanDerWaalsContact C-N 3.25Å; V164-Q166 PolarHBondContact O-N 3.35Å; Q166-S169 PolarHBondContact O-OG 3.28Å; Q166-I170 WeakPolarHBondContact O-CD1 3.47Å |
| 167 | I | 86.8 | Confident | 84.3 | Confident | 15 Ų | 15 | 64.1 Ų | 64.1 | 8% | 0.077 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -74.9 | -41.1 | 179 | -62.8 | 166.4 | 0 | 0 | 0 | 109.9 | L105 K112 L114 I163 V164 S169 I170 | L105-I167 HydrophobicContact CD2-CG2 3.67Å; K112-I167 HydrophobicContact CD-CD1 4.08Å; K112-I167 HydrophobicContact CD-CG1 4.11Å; L114-I167 HydrophobicContact CD1-CD1 4.2Å; I163-I167 HydrophobicContact CG2-CD1 4.23Å; I163-I167 WeakPolarHBondContact O-CG1 3.46Å; I163-I167 PolarHBondContact O-N 3.4Å; V164-I167 PolarHBondContact O-N 3.25Å; I167-S169 VanDerWaalsContact C-N 3.31Å; I167-S169 PolarHBondContact O-N 3.3Å; I167-I170 PolarHBondContact O-N 2.8Å |
| 168 | T | 84.9 | Confident | 84.3 | Confident | 30 Ų | 30 | 66.6 Ų | 66.6 | 18% | 0.184 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69 | -26.5 | -177.5 | 49.8 | 0 | 0 | 0 | 0 | 113.4 | V164 K165 V178 V180 | V164-T168 HydrophobicContact CG1-CG2 4.25Å; V164-T168 PolarHBondContact O-N 2.87Å; V164-T168 PolarHBondContact O-OG1 2.87Å; V164-T168 VanDerWaalsContact O-OG1 3.11Å; K165-T168 WeakPolarHBondContact CA-OG1 3.37Å; K165-T168 PolarHBondContact O-OG1 2.92Å; T168-V178 HydrophobicContact CG2-CG1 4.4Å; T168-V180 HydrophobicContact CG2-CG2 4.27Å |
| 169 | S | 78.4 | Confident | 84.4 | Confident | 73 Ų | 73 | 68.4 Ų | 68.4 | 51% | 0.51 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -72.8 | -27.2 | -179.5 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | K165 Q166 I167 S171 | K165-S169 PolarHBondContact O-N 3.2Å; K165-S169 PolarHBondContact O-OG 3.4Å; Q166-S169 PolarHBondContact O-OG 3.28Å; I167-S169 VanDerWaalsContact C-N 3.31Å; I167-S169 PolarHBondContact O-N 3.3Å; S169-S171 VanDerWaalsContact C-N 3.35Å |
| 170 | I | 78.6 | Confident | 84.7 | Confident | 147 Ų | 147 | 71.5 Ų | 71.5 | 75% | 0.754 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -78.8 | -19.6 | -174.7 | -60.9 | 167.5 | 0 | 0 | 0 | 112 | Q166 I167 | Q166-I170 WeakPolarHBondContact O-CD1 3.47Å; I167-I170 PolarHBondContact O-N 2.8Å |
| 171 | S | 75.5 | Confident | 84.8 | Confident | 26 Ų | 26 | 73.4 Ų | 73.4 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 30.7 | -166.7 | 55.7 | 0 | 0 | 0 | 0 | 115 | S169 E173 | S169-S171 VanDerWaalsContact C-N 3.35Å; S171-E173 VanDerWaalsContact C-N 3.33Å; S171-E173 PolarHBondContact O-N 3.24Å |
| 172 | I | 79.3 | Confident | 84.9 | Confident | 141 Ų | 141 | 75.5 Ų | 75.5 | 72% | 0.723 | 41% | 0.412 | S | S | * | . | trans | -74.3 | 87 | 179.5 | -52.7 | 172.5 | 0 | 0 | 0 | 109.9 | ||||
| 173 | E | 81 | Confident | 84.5 | Confident | 71 Ų | 71 | 72.5 Ų | 72.5 | 33% | 0.332 | 41% | 0.406 | S | S | . | . | trans | -79.3 | 133.9 | 170.7 | -172.2 | 81.7 | -178.8 | 0 | 0 | 109.8 | V101 S171 G175 V176 | V101-E173 HydrophobicContact CG2-CB 3.73Å; S171-E173 VanDerWaalsContact C-N 3.33Å; S171-E173 PolarHBondContact O-N 3.24Å; E173-G175 PolarHBondContact O-N 2.69Å; E173-V176 HydrophobicContact CB-CG2 4.5Å; E173-V176 PolarHBondContact O-N 2.94Å | ||
| 174 | P | 79.6 | Confident | 83.4 | Confident | 108 Ų | 108 | 75.2 Ų | 75.2 | 70% | 0.701 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 125.7 | -179.2 | 25.4 | -34.1 | 0 | 0 | 0 | 111.5 | ||
| 175 | G | 82.6 | Confident | 81.8 | Confident | 57 Ų | 57 | 82.9 Ų | 82.9 | 59% | 0.588 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.7 | 12 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S92 E173 | S92-G175 WeakPolarHBondContact CB-O 3.42Å; S92-G175 PolarHBondContact OG-O 2.86Å; E173-G175 PolarHBondContact O-N 2.69Å |
| 176 | V | 88.7 | Confident | 81.6 | Confident | 20 Ų | 20 | 80.1 Ų | 80.1 | 12% | 0.121 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128 | 164.4 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | L90 L98 V101 E173 V178 | L90-V176 HydrophobicContact CD2-CG1 4.39Å; L98-V176 HydrophobicContact CD2-CG1 3.69Å; L98-V176 HydrophobicContact CD2-CG2 4.16Å; L98-V176 HydrophobicContact CG-CG2 4.49Å; V101-V176 HydrophobicContact CG2-CG2 4.41Å; E173-V176 HydrophobicContact CB-CG2 4.5Å; E173-V176 PolarHBondContact O-N 2.94Å; V176-V178 HydrophobicContact CG1-CG2 4.39Å |
| 177 | E | 89.2 | Confident | 81.3 | Confident | 120 Ų | 120 | 78.4 Ų | 78.4 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 130.8 | 174.8 | -176.8 | 169.7 | -156 | 0 | 0 | 109.1 | T91 | T91-E177 PolarHBondContact N-O 3.02Å; T91-E177 PolarHBondContact O-N 3.3Å |
| 178 | V | 90 | Very high | 81 | Confident | 58 Ų | 58 | 81.9 Ų | 81.9 | 35% | 0.352 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 118.9 | -174.9 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | I88 L90 T168 V176 | I88-V178 HydrophobicContact CG2-CG1 3.83Å; L90-V178 HydrophobicContact CD2-CB 4.19Å; L90-V178 HydrophobicContact CD2-CG1 3.91Å; L90-V178 HydrophobicContact CD2-CG2 3.64Å; T168-V178 HydrophobicContact CG2-CG1 4.4Å; V176-V178 HydrophobicContact CG1-CG2 4.39Å |
| 179 | E | 89.8 | Confident | 80.8 | Confident | 93 Ų | 93 | 84.9 Ų | 84.9 | 44% | 0.435 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 132.5 | 174.4 | -64 | 172.8 | 179 | 0 | 0 | 109.1 | I88 T89 | I88-E179 CarbonylContact C-O 3.6Å; I88-E179 WeakPolarHBondContact CA-O 3.45Å; T89-E179 PolarHBondContact N-O 2.83Å; T89-E179 PolarHBondContact O-N 3.3Å |
| 180 | V | 89.4 | Confident | 80.9 | Confident | 68 Ų | 68 | 85.7 Ų | 85.7 | 41% | 0.412 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.1 | 176.2 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | I86 V164 T168 | I86-V180 HydrophobicContact CG2-CG1 3.59Å; V164-V180 HydrophobicContact CG1-CG1 4.26Å; T168-V180 HydrophobicContact CG2-CG2 4.27Å |
| 181 | T | 89.2 | Confident | 81.1 | Confident | 62 Ų | 62 | 81.6 Ų | 81.6 | 38% | 0.38 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 130 | 176.6 | 58.3 | 0 | 0 | 0 | 0 | 109.6 | I86 R87 | I86-T181 WeakPolarHBondContact CA-O 2.73Å; R87-T181 WeakPolarHBondContact CB-OG1 3.29Å; R87-T181 PolarHBondContact N-O 2.94Å; R87-T181 PolarHBondContact O-N 2.72Å; R87-T181 PolarHBondContact O-OG1 2.87Å |
| 182 | I | 88.4 | Confident | 81.5 | Confident | 78 Ų | 78 | 85.6 Ų | 85.6 | 40% | 0.4 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 117.6 | 175.3 | -51 | 175.4 | 0 | 0 | 0 | 106.1 | H84 D184 | H84-I182 HydrophobicContact CB-CG2 4.04Å; I182-D184 WeakPolarHBondContact CG2-OD1 3.35Å; I182-D184 PolarHBondContact O-N 2.81Å |
| 183 | A | 77.1 | Confident | 81.7 | Confident | 51 Ų | 51 | 81.3 Ų | 81.3 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 89.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | R85 A185 | R85-A183 PolarHBondContact O-N 2.84Å; A183-A185 PolarHBondContact O-N 3.33Å |
| 184 | D | 64.5 | Low | 81.7 | Confident | 108 Ų | 108 | 82.2 Ų | 82.2 | 58% | 0.578 | 53% | 0.525 | S | S | * | . | trans | -68.7 | 120.7 | 165.5 | -63.4 | -38 | 0 | 0 | 0 | 106.8 | H84 I182 | H84-D184 IonicContact CE1-OD1 3.8Å; H84-D184 PolarHBondContact CE1-OD1 3.17Å; H84-D184 VanDerWaalsContact CE1-OD1 3.25Å; H84-D184 IonicContact CG-OD1 3.86Å; H84-D184 IonicContact ND1-OD1 3.94Å; H84-D184 PolarHBondContact ND1-OD1 2.91Å; I182-D184 WeakPolarHBondContact CG2-OD1 3.35Å; I182-D184 PolarHBondContact O-N 2.81Å | ||
| 185 | A | 52.2 | Low | 81.9 | Confident | 163 Ų | 163 | 79.8 Ų | 79.8 | 100% | 1.347 | 51% | 0.509 | S | S | * | . | trans | -75.7 | 0 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | A183 | A183-A185 PolarHBondContact O-N 3.33Š|
Retrieved 185 of 185 residues in 181.9 ms
(Link to these results)