| 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 | 36.6 | Very low | 43.4 | Very low | 226 Ų | 226 | 160.9 Ų | 160.9 | 100% | 1.113 | 80% | 0.8 | S | S | * | * | 0 | 90.4 | 0 | -56.8 | -60.3 | -172.8 | 0 | 0 | 106.7 | |||||
| 2 | Q | 38.2 | Very low | 44 | Very low | 186 Ų | 186 | 160 Ų | 160 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | 110.8 | 141.8 | 76.2 | -113.4 | -177.9 | -13.5 | 0 | 0 | 109.4 | |||||
| 3 | F | 36.6 | Very low | 44.1 | Very low | 172 Ų | 172 | 159.6 Ų | 159.6 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | -81.7 | 148.9 | -161.6 | -91.6 | -121.4 | 0 | 0 | 0 | 113.6 | ||||
| 4 | R | 40.7 | Very low | 43.6 | Very low | 204 Ų | 204 | 160 Ų | 160 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | 65.9 | 125.6 | 133.5 | -67.3 | -168 | -173.6 | -143.6 | 4 | 121.6 | ||||
| 5 | L | 47.1 | Very low | 43.8 | Very low | 138 Ų | 138 | 157.5 Ų | 157.5 | 72% | 0.723 | 81% | 0.806 | S | S | * | * | 29.6 | 138.1 | 118.6 | -67.5 | 165.2 | 0 | 0 | 0 | 119.6 | |||||
| 6 | F | 41.3 | Very low | 43.3 | Very low | 184 Ų | 184 | 157.2 Ų | 157.2 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | trans | 69.2 | 113.4 | 160.8 | -75.9 | -79 | 0 | 0 | 0 | 116.6 | ||||
| 7 | S | 45 | Very low | 42.6 | Very low | 91 Ų | 91 | 158 Ų | 158 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | 161.4 | 122.7 | 105.8 | -84.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 8 | F | 45.8 | Very low | 42.2 | Very low | 171 Ų | 171 | 160.6 Ų | 160.6 | 75% | 0.75 | 81% | 0.809 | S | S | * | * | trans | 52.7 | 77.7 | 145 | -66.3 | -85.9 | 0 | 0 | 0 | 117.8 | I11 | F8-I11 HydrophobicContact CD1-CD1 4.26Š| ||
| 9 | A | 45.8 | Very low | 41.7 | Very low | 100 Ų | 100 | 157.2 Ų | 157.2 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -119.3 | 43.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 10 | L | 48.3 | Very low | 41.1 | Very low | 171 Ų | 171 | 157.7 Ų | 157.7 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -139 | 29.3 | 169.3 | -85.1 | 179.3 | 0 | 0 | 0 | 112.6 | ||
| 11 | I | 52.1 | Low | 40.8 | Very low | 127 Ų | 127 | 154.8 Ų | 154.8 | 65% | 0.651 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -138.1 | 131.8 | 167 | -47.7 | 179.9 | 0 | 0 | 0 | 106.5 | F8 | F8-I11 HydrophobicContact CD1-CD1 4.26Š|
| 12 | I | 50.5 | Low | 40.7 | Very low | 150 Ų | 150 | 153.2 Ų | 153.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 80.6 | 80.7 | 173.5 | -36 | -177.5 | 0 | 0 | 0 | 115.5 | ||
| 13 | L | 45.6 | Very low | 40.4 | Very low | 155 Ų | 155 | 147.8 Ų | 147.8 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | -174 | 83.9 | 141.4 | -103.6 | 143.6 | 0 | 0 | 0 | 111.2 | ||||
| 14 | N | 36.8 | Very low | 40.9 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -158.7 | 59.6 | 141.4 | -96.3 | -44.9 | 0 | 0 | 0 | 108.1 | ||||
| 15 | C | 46.9 | Very low | 40.6 | Very low | 123 Ų | 123 | 148.6 Ų | 148.6 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -115.3 | 83.7 | 159.5 | -76 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 16 | M | 35.5 | Very low | 40 | Very low | 152 Ų | 152 | 153.1 Ų | 153.1 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | -149.4 | 55.3 | 165.3 | -89.9 | -149.3 | 75.4 | 0 | 0 | 110.2 | ||||
| 17 | D | 31.9 | Very low | 39.9 | Very low | 171 Ų | 171 | 155.9 Ų | 155.9 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | trans | -102.8 | 98.9 | 151.6 | -90.5 | -46 | 0 | 0 | 0 | 108.1 | S19 | D17-S19 PolarHBondContact O-N 3.44Š| ||
| 18 | Y | 34.2 | Very low | 40.1 | Very low | 205 Ų | 205 | 163.1 Ų | 163.1 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -64.9 | 112.8 | 177.8 | -147.8 | -100.3 | 0 | 0 | 0 | 108.9 | ||||
| 19 | S | 32.8 | Very low | 40.2 | Very low | 96 Ų | 96 | 160.3 Ų | 160.3 | 67% | 0.671 | 81% | 0.814 | S | S | * | * | trans | 28.5 | 110.7 | 134.3 | -49.9 | 0 | 0 | 0 | 0 | 117.8 | D17 | D17-S19 PolarHBondContact O-N 3.44Š| ||
| 20 | H | 30.8 | Very low | 40.1 | Very low | 167 Ų | 167 | 164.8 Ų | 164.8 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | 166.7 | 111.4 | 96.6 | -163.3 | 69.7 | 0 | 0 | 0 | 112.5 | |||||
| 21 | C | 34.1 | Very low | 39.9 | Very low | 96 Ų | 96 | 168.6 Ų | 168.6 | 65% | 0.649 | 82% | 0.817 | S | S | * | * | trans | 31 | 130.9 | 137 | -57.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 22 | Q | 35.3 | Very low | 39.5 | Very low | 194 Ų | 194 | 165.2 Ų | 165.2 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | trans | 113.6 | 128.2 | 138.5 | -58.4 | -158.8 | 3.5 | 0 | 0 | 116.6 | ||||
| 23 | G | 32 | Very low | 39.6 | Very low | 72 Ų | 72 | 164 Ų | 164 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | 131.8 | 84.1 | 149.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R25 | G23-R25 PolarHBondContact O-N 3.01Å; G23-R25 VanDerWaalsContact O-N 3.12Å | ||
| 24 | N | 45.6 | Very low | 39.8 | Very low | 152 Ų | 152 | 166 Ų | 166 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | -19.5 | 106.9 | 153.6 | -68.5 | -26.2 | 0 | 0 | 0 | 114.9 | ||||
| 25 | R | 34.3 | Very low | 40.3 | Very low | 240 Ų | 240 | 164.4 Ų | 164.4 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -138.6 | 90.8 | 146.6 | -73.2 | -169.5 | -164.4 | 172.2 | 7.2 | 109.1 | G23 R27 | G23-R25 PolarHBondContact O-N 3.01Å; G23-R25 VanDerWaalsContact O-N 3.12Å; R25-R27 PolarHBondContact O-N 3.1Å | ||
| 26 | W | 36.1 | Very low | 40.9 | Very low | 233 Ų | 233 | 163.5 Ų | 163.5 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -41.6 | 112.3 | 160.2 | -80.5 | 58.6 | 0 | 0 | 0 | 108.8 | R28 | W26-R28 VanDerWaalsContact C-N 3.26Å; W26-R28 PolarHBondContact O-N 3.49Å | ||
| 27 | R | 39.3 | Very low | 42.3 | Very low | 243 Ų | 243 | 159.2 Ų | 159.2 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | trans | -58 | 101.8 | 159.5 | -81.8 | -172.1 | -178.7 | -141.8 | 1.4 | 105.5 | R25 S29 | R25-R27 PolarHBondContact O-N 3.1Å; R27-S29 PolarHBondContact O-N 3.25Å | ||
| 28 | R | 47.3 | Very low | 44.3 | Very low | 242 Ų | 242 | 156.2 Ų | 156.2 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | trans | -57.6 | 91.8 | 166 | -115.2 | 176.2 | 179 | 162.4 | -0.2 | 105.8 | W26 K30 | W26-R28 VanDerWaalsContact C-N 3.26Å; W26-R28 PolarHBondContact O-N 3.49Å; R28-K30 PolarHBondContact O-N 2.84Å; R28-K30 VanDerWaalsContact O-N 3.13Å | ||
| 29 | S | 49.5 | Very low | 46.4 | Very low | 112 Ų | 112 | 149 Ų | 149 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | -52.8 | 121.1 | 166.5 | -174.7 | 0 | 0 | 0 | 0 | 105.9 | R27 R31 | R27-S29 PolarHBondContact O-N 3.25Å; S29-R31 PolarHBondContact O-N 3.36Å; S29-R31 VanDerWaalsContact O-N 3.1Å | ||
| 30 | K | 41.9 | Very low | 48.8 | Very low | 195 Ų | 195 | 146.2 Ų | 146.2 | 85% | 0.848 | 73% | 0.727 | S | S | * | * | trans | -45.7 | 121.7 | -179.2 | -74.9 | 179.6 | 176 | 179.6 | 0 | 107.9 | R28 A32 | R28-K30 PolarHBondContact O-N 2.84Å; R28-K30 VanDerWaalsContact O-N 3.13Å; K30-A32 PolarHBondContact O-N 2.98Å | ||
| 31 | R | 45.1 | Very low | 51.5 | Low | 251 Ų | 251 | 146.5 Ų | 146.5 | 95% | 0.947 | 73% | 0.726 | S | S | * | * | trans | -64.4 | 87.2 | 170.8 | -155.7 | 179.3 | -142.1 | 173 | 3.5 | 106.2 | S29 S33 | S29-R31 PolarHBondContact O-N 3.36Å; S29-R31 VanDerWaalsContact O-N 3.1Å; R31-S33 PolarHBondContact O-N 3.3Å; R31-S33 VanDerWaalsContact O-N 3.08Å | ||
| 32 | A | 42.8 | Very low | 54.1 | Low | 55 Ų | 55 | 143 Ų | 143 | 46% | 0.455 | 71% | 0.706 | S | S | . | * | trans | -59.3 | 114.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | K30 Y34 | K30-A32 PolarHBondContact O-N 2.98Å; A32-Y34 HydrophobicContact CB-CD2 3.52Å; A32-Y34 HydrophobicContact CB-CE2 3.25Å; A32-Y34 HydrophobicContact CB-CG 4.47Å; A32-Y34 WeakPolarHBondContact O-CD2 3.49Å; A32-Y34 PolarHBondContact O-N 3.09Å | ||
| 33 | S | 53.4 | Low | 56.8 | Low | 126 Ų | 126 | 134.9 Ų | 134.9 | 88% | 0.881 | 67% | 0.67 | S | S | * | * | trans | -64.2 | 82.9 | 167.8 | -168.4 | 0 | 0 | 0 | 0 | 106.8 | R31 V35 | R31-S33 PolarHBondContact O-N 3.3Å; R31-S33 VanDerWaalsContact O-N 3.08Å; S33-V35 PolarHBondContact O-N 3.23Å | ||
| 34 | Y | 50.2 | Low | 59.7 | Low | 196 Ų | 196 | 136.8 Ų | 136.8 | 77% | 0.769 | 66% | 0.663 | S | S | * | * | trans | -78.4 | 111.9 | 173.9 | -81.7 | -79 | 0 | 0 | 0 | 106.6 | A32 S36 | A32-Y34 HydrophobicContact CB-CD2 3.52Å; A32-Y34 HydrophobicContact CB-CE2 3.25Å; A32-Y34 HydrophobicContact CB-CG 4.47Å; A32-Y34 WeakPolarHBondContact O-CD2 3.49Å; A32-Y34 PolarHBondContact O-N 3.09Å; Y34-S36 PolarHBondContact O-N 3.32Å | ||
| 35 | V | 46.8 | Very low | 61.9 | Low | 132 Ų | 132 | 132 Ų | 132 | 80% | 0.8 | 64% | 0.641 | S | S | * | * | trans | -35.4 | 111.9 | 147.2 | 175.9 | 0 | 0 | 0 | 0 | 106.1 | S33 N37 | S33-V35 PolarHBondContact O-N 3.23Å; V35-N37 VanDerWaalsContact C-N 3.34Å; V35-N37 PolarHBondContact O-N 2.96Å | ||
| 36 | S | 59.5 | Low | 64.7 | Low | 103 Ų | 103 | 123.1 Ų | 123.1 | 72% | 0.72 | 62% | 0.615 | S | S | * | * | trans | -61.3 | 102 | -176.7 | 48.6 | 0 | 0 | 0 | 0 | 106.9 | Y34 P38 | Y34-S36 PolarHBondContact O-N 3.32Å; S36-P38 WeakPolarHBondContact O-CD 3.48Å | ||
| 37 | N | 64.8 | Low | 67.2 | Low | 63 Ų | 63 | 114.7 Ų | 114.7 | 34% | 0.337 | 59% | 0.592 | S | S | . | * | trans | -56.4 | 113.2 | 174.9 | -177.7 | -18.5 | 0 | 0 | 0 | 106.1 | V35 I39 C40 | V35-N37 VanDerWaalsContact C-N 3.34Å; V35-N37 PolarHBondContact O-N 2.96Å; N37-I39 PolarHBondContact O-N 3.39Å; N37-I39 WeakPolarHBondContact OD1-CB 3.47Å; N37-I39 WeakPolarHBondContact OD1-CG1 3.5Å; N37-I39 PolarHBondContact OD1-N 2.97Å; N37-C40 PolarHBondContact O-N 3.41Å | ||
| 38 | P | 73.6 | Confident | 69.5 | Low | 108 Ų | 108 | 112.2 Ų | 112.2 | 70% | 0.701 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -59.1 | -24.7 | -171.1 | 21.6 | -32.4 | 0 | 0 | 0 | 112 | S36 C40 K41 | S36-P38 WeakPolarHBondContact O-CD 3.48Å; P38-C40 VanDerWaalsContact C-N 3.31Å; P38-C40 PolarHBondContact O-N 3.41Å; P38-K41 PolarHBondContact O-N 3.03Å |
| 39 | I | 78.1 | Confident | 71.3 | Confident | 52 Ų | 52 | 106.9 Ų | 106.9 | 27% | 0.267 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -66.6 | -30.2 | 178.1 | -55.1 | 170.8 | 0 | 0 | 0 | 112.1 | N37 Y71 E73 | N37-I39 PolarHBondContact O-N 3.39Å; N37-I39 WeakPolarHBondContact OD1-CB 3.47Å; N37-I39 WeakPolarHBondContact OD1-CG1 3.5Å; N37-I39 PolarHBondContact OD1-N 2.97Å; I39-Y71 HydrophobicContact CD1-CD2 4.43Å; I39-Y71 HydrophobicContact CD1-CE2 4.29Å; I39-Y71 HydrophobicContact CG1-CE2 4.33Å; I39-Y71 HydrophobicContact CG2-CD2 3.72Å; I39-Y71 HydrophobicContact CG2-CE2 4.11Å; I39-E73 HydrophobicContact CG2-CG 4.41Å |
| 40 | C | 83.8 | Confident | 73.3 | Confident | 39 Ų | 39 | 106.7 Ų | 106.7 | 26% | 0.264 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -92.3 | 8.5 | -176 | -59.6 | 0 | 0 | 0 | 0 | 114 | N37 P38 G42 C43 C46 | N37-C40 PolarHBondContact O-N 3.41Å; P38-C40 VanDerWaalsContact C-N 3.31Å; P38-C40 PolarHBondContact O-N 3.41Å; C40-G42 PolarHBondContact O-N 2.98Å; C40-C43 VanDerWaalsContact O-CB 3.27Å; C40-C43 WeakPolarHBondContact O-CB 3.48Å; C40-C43 PolarHBondContact O-N 3.1Å; C40-C46 VanDerWaalsContact CA-SG 3.59Å; C40-C46 HydrophobicContact CB-CB 3.7Å; C40-C46 WeakPolarHBondContact CB-SG 3.36Å; C40-C46 WeakPolarHBondContact SG-CB 3.44Å; C40-C46 CovalentContact SG-SG 2.02Å; C40-C46 PolarHBondContact SG-SG 3.43Å |
| 41 | K | 87.4 | Confident | 75.7 | Confident | 173 Ų | 173 | 97.6 Ų | 97.6 | 75% | 0.752 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 127.6 | -179.7 | -169.5 | 178.5 | 179 | -177.8 | 0 | 110.3 | P38 C43 | P38-K41 PolarHBondContact O-N 3.03Å; K41-C43 VanDerWaalsContact C-N 3.25Å; K41-C43 PolarHBondContact O-N 3.06Å |
| 42 | G | 88.4 | Confident | 78 | Confident | 21 Ų | 21 | 85.8 Ų | 85.8 | 22% | 0.216 | 49% | 0.485 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 15.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | C40 Q56 L59 | C40-G42 PolarHBondContact O-N 2.98Å; G42-Q56 WeakPolarHBondContact O-CG 3.38Å; G42-Q56 PolarHBondContact O-N 3.45Å; G42-Q56 VanDerWaalsContact O-N 3.08Å; G42-L59 WeakPolarHBondContact O-CD1 3.37Å |
| 43 | C | 92.9 | Very high | 80.4 | Confident | 24 Ų | 24 | 86.2 Ų | 86.2 | 16% | 0.162 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 138.6 | 179.9 | -170.3 | 0 | 0 | 0 | 0 | 112.2 | C40 K41 S45 C46 C52 R54 | C40-C43 VanDerWaalsContact O-CB 3.27Å; C40-C43 WeakPolarHBondContact O-CB 3.48Å; C40-C43 PolarHBondContact O-N 3.1Å; K41-C43 VanDerWaalsContact C-N 3.25Å; K41-C43 PolarHBondContact O-N 3.06Å; C43-S45 PolarHBondContact SG-N 3.48Å; C43-S45 PolarHBondContact SG-O 3.36Å; C43-C46 HydrophobicContact CB-CB 4.39Å; C43-C52 HydrophobicContact CB-CB 3.73Å; C43-C52 WeakPolarHBondContact CB-SG 3.48Å; C43-C52 WeakPolarHBondContact SG-CA 3.03Å; C43-C52 WeakPolarHBondContact SG-CB 3.37Å; C43-C52 CovalentContact SG-SG 2.02Å; C43-C52 PolarHBondContact SG-SG 3.01Å; C43-R54 PolarHBondContact SG-O 2.88Å |
| 44 | L | 92.6 | Very high | 82.2 | Confident | 112 Ų | 112 | 88 Ų | 88 | 59% | 0.586 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -31.3 | 172.9 | -63.2 | 175.4 | 0 | 0 | 0 | 112.5 | R54 Q56 | L44-R54 HydrophobicContact CB-CB 4.36Å; L44-R54 WeakPolarHBondContact CB-O 3.31Å; L44-R54 PolarHBondContact N-O 2.73Å; L44-Q56 HydrophobicContact CD2-CG 3.93Å; L44-Q56 HydrophobicContact CG-CG 4.19Å |
| 45 | S | 91.8 | Very high | 84.3 | Confident | 52 Ų | 52 | 79.5 Ų | 79.5 | 36% | 0.364 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 107.6 | -178.8 | -58.5 | 0 | 0 | 0 | 0 | 109.4 | C43 S53 | C43-S45 PolarHBondContact SG-N 3.48Å; C43-S45 PolarHBondContact SG-O 3.36Å; S45-S53 WeakPolarHBondContact CB-OG 3.48Å; S45-S53 PolarHBondContact O-N 3.42Å; S45-S53 PolarHBondContact O-OG 2.04Å |
| 46 | C | 92.4 | Very high | 86.5 | Confident | 53 Ų | 53 | 77.8 Ų | 77.8 | 36% | 0.358 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 139.2 | -175.2 | -155.9 | 0 | 0 | 0 | 0 | 111.7 | C40 C43 G51 | C40-C46 VanDerWaalsContact CA-SG 3.59Å; C40-C46 HydrophobicContact CB-CB 3.7Å; C40-C46 WeakPolarHBondContact CB-SG 3.36Å; C40-C46 WeakPolarHBondContact SG-CB 3.44Å; C40-C46 CovalentContact SG-SG 2.02Å; C40-C46 PolarHBondContact SG-SG 3.43Å; C43-C46 HydrophobicContact CB-CB 4.39Å; C46-G51 VanDerWaalsContact SG-C 3.52Å; C46-G51 PolarHBondContact SG-O 3.09Å |
| 47 | S | 90.1 | Very high | 87.8 | Confident | 57 Ų | 57 | 81.5 Ų | 81.5 | 40% | 0.399 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 152.5 | 174.6 | -61.5 | 0 | 0 | 0 | 0 | 110.1 | D49 G51 | S47-D49 PolarHBondContact O-N 3.32Å; S47-G51 PolarHBondContact N-O 2.99Å; S47-G51 WeakPolarHBondContact O-CA 3.03Å; S47-G51 PolarHBondContact O-N 2.87Å |
| 48 | K | 86.2 | Confident | 89.1 | Confident | 190 Ų | 190 | 87.6 Ų | 87.6 | 83% | 0.826 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -39.9 | 179.8 | -169.9 | 179.8 | 177.5 | -175.2 | 0 | 112.4 | ||
| 49 | D | 87 | Confident | 90.1 | Very high | 130 Ų | 130 | 82.9 Ų | 82.9 | 70% | 0.695 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -36.6 | -172.4 | -53.7 | -61.2 | 0 | 0 | 0 | 113.5 | S47 | S47-D49 PolarHBondContact O-N 3.32Š|
| 50 | N | 90.8 | Very high | 91 | Very high | 109 Ų | 109 | 81.1 Ų | 81.1 | 58% | 0.583 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 0 | -176.4 | -63.3 | -31.8 | 0 | 0 | 0 | 113.4 | Y71 G72 | N50-Y71 CarbonylContact O-C 3.48Å; N50-Y71 WeakPolarHBondContact O-CA 3.35Å; N50-G72 PolarHBondContact O-N 3.49Å |
| 51 | G | 92.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 81 Ų | 81 | 3% | 0.031 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 63.8 | -142.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C46 S47 | C46-G51 VanDerWaalsContact SG-C 3.52Å; C46-G51 PolarHBondContact SG-O 3.09Å; S47-G51 PolarHBondContact N-O 2.99Å; S47-G51 WeakPolarHBondContact O-CA 3.03Å; S47-G51 PolarHBondContact O-N 2.87Å |
| 52 | C | 93.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 73.8 Ų | 73.8 | 2% | 0.02 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 139 | 179.2 | -171.2 | 0 | 0 | 0 | 0 | 112.2 | C43 R54 F61 G72 C74 | C43-C52 HydrophobicContact CB-CB 3.73Å; C43-C52 WeakPolarHBondContact CB-SG 3.48Å; C43-C52 WeakPolarHBondContact SG-CA 3.03Å; C43-C52 WeakPolarHBondContact SG-CB 3.37Å; C43-C52 CovalentContact SG-SG 2.02Å; C43-C52 PolarHBondContact SG-SG 3.01Å; C52-R54 VanDerWaalsContact SG-C 3.51Å; C52-R54 PolarHBondContact SG-O 3.31Å; C52-F61 VanDerWaalsContact O-CE2 3.32Å; C52-F61 WeakPolarHBondContact O-CE2 3.48Å; C52-G72 WeakPolarHBondContact CB-O 3.09Å; C52-G72 PolarHBondContact N-O 3.25Å; C52-G72 WeakPolarHBondContact O-CA 3.44Å; C52-C74 PolarHBondContact SG-SG 3.09Å |
| 53 | S | 91.9 | Very high | 92.2 | Very high | 64 Ų | 64 | 76.7 Ų | 76.7 | 45% | 0.448 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | -26.2 | 171 | 65.2 | 0 | 0 | 0 | 0 | 113.8 | S45 | S45-S53 WeakPolarHBondContact CB-OG 3.48Å; S45-S53 PolarHBondContact O-N 3.42Å; S45-S53 PolarHBondContact O-OG 2.04Å |
| 54 | R | 92 | Very high | 92.3 | Very high | 165 Ų | 165 | 80.7 Ų | 80.7 | 62% | 0.623 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 118.3 | 177.1 | -65.7 | -178.7 | 79.4 | 165.8 | 4.5 | 110.8 | C43 L44 C52 | C43-R54 PolarHBondContact SG-O 2.88Å; L44-R54 HydrophobicContact CB-CB 4.36Å; L44-R54 WeakPolarHBondContact CB-O 3.31Å; L44-R54 PolarHBondContact N-O 2.73Å; C52-R54 VanDerWaalsContact SG-C 3.51Å; C52-R54 PolarHBondContact SG-O 3.31Å |
| 55 | C | 93.9 | Very high | 92.3 | Very high | 17 Ų | 17 | 84.2 Ų | 84.2 | 12% | 0.115 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 157.9 | 176.3 | -63.7 | 0 | 0 | 0 | 0 | 112 | L59 C74 | C55-L59 HydrophobicContact CB-CB 4.16Å; C55-C74 WeakPolarHBondContact CA-SG 3.44Å; C55-C74 HydrophobicContact CB-CB 3.86Å; C55-C74 WeakPolarHBondContact CB-SG 3.21Å; C55-C74 WeakPolarHBondContact SG-CA 3.33Å; C55-C74 WeakPolarHBondContact SG-CB 3.5Å; C55-C74 CovalentContact SG-SG 2.03Å; C55-C74 PolarHBondContact SG-SG 3.14Å |
| 56 | Q | 92.8 | Very high | 92.3 | Very high | 96 Ų | 96 | 87.5 Ų | 87.5 | 45% | 0.449 | 41% | 0.414 | S | S | . | . | trans | -58.5 | 147.8 | 164.1 | -70.3 | 172 | -1.6 | 0 | 0 | 110.5 | G42 L44 K58 L59 | G42-Q56 WeakPolarHBondContact O-CG 3.38Å; G42-Q56 PolarHBondContact O-N 3.45Å; G42-Q56 VanDerWaalsContact O-N 3.08Å; L44-Q56 HydrophobicContact CD2-CG 3.93Å; L44-Q56 HydrophobicContact CG-CG 4.19Å; Q56-K58 PolarHBondContact O-N 3.45Å; Q56-L59 HydrophobicContact CB-CD1 4.25Å; Q56-L59 HydrophobicContact CB-CG 4.48Å; Q56-L59 PolarHBondContact O-N 3.07Å | ||
| 57 | Q | 87.2 | Confident | 92.3 | Very high | 181 Ų | 181 | 87.9 Ų | 87.9 | 85% | 0.846 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -24.8 | -171.5 | -71 | 174.9 | -26.9 | 0 | 0 | 115.2 | N91 | Q57-N91 PolarHBondContact O-ND2 2.91Š|
| 58 | K | 91.3 | Very high | 92.4 | Very high | 191 Ų | 191 | 94.2 Ų | 94.2 | 83% | 0.83 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -9.7 | 179.8 | -64.7 | -174.2 | 179.9 | -178.6 | 0 | 114.1 | Q56 | Q56-K58 PolarHBondContact O-N 3.45Š|
| 59 | L | 95.2 | Very high | 92.5 | Very high | 9 Ų | 9 | 94.5 Ų | 94.5 | 5% | 0.047 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -103.3 | 154.2 | -175.6 | -60.1 | 176.4 | 0 | 0 | 0 | 111.1 | G42 C55 Q56 C74 L75 H76 N91 | G42-L59 WeakPolarHBondContact O-CD1 3.37Å; C55-L59 HydrophobicContact CB-CB 4.16Å; Q56-L59 HydrophobicContact CB-CD1 4.25Å; Q56-L59 HydrophobicContact CB-CG 4.48Å; Q56-L59 PolarHBondContact O-N 3.07Å; L59-C74 HydrophobicContact CB-CB 4.1Å; L59-C74 HydrophobicContact CD1-CB 3.79Å; L59-L75 WeakPolarHBondContact CA-O 3.26Å; L59-H76 HydrophobicContact CD2-CB 4.5Å; L59-H76 VanDerWaalsContact CD2-CE1 3.43Å; L59-H76 WeakPolarHBondContact CD2-CE1 3.28Å; L59-H76 WeakPolarHBondContact CD2-ND1 3.31Å; L59-N91 WeakPolarHBondContact O-CB 3.32Å |
| 60 | F | 96.3 | Very high | 92.9 | Very high | 15 Ų | 15 | 93.1 Ų | 93.1 | 7% | 0.066 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 128.8 | 174.3 | -65.5 | -92.2 | 0 | 0 | 0 | 110.5 | F62 C74 L75 H76 G84 R86 N91 | F60-F62 PolarHBondContact O-N 3.17Å; F60-C74 WeakPolarHBondContact O-CA 3.3Å; F60-L75 PolarHBondContact N-O 3.5Å; F60-L75 PolarHBondContact O-N 2.85Å; F60-H76 WeakPolarHBondContact CD2-O 3.17Å; F60-G84 VanDerWaalsContact CE1-CA 3.43Å; F60-R86 HydrophobicContact CE1-CG 4.24Å; F60-N91 WeakPolarHBondContact CA-O 3.43Å; F60-N91 HydrophobicContact CD1-CB 3.68Å; F60-N91 HydrophobicContact CE1-CB 3.92Å; F60-N91 HydrophobicContact CG-CB 4.21Å |
| 61 | F | 95.6 | Very high | 93 | Very high | 35 Ų | 35 | 88.9 Ų | 88.9 | 15% | 0.154 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 122.7 | 168.6 | -179.9 | -90.8 | 0 | 0 | 0 | 110.4 | C52 L63 M90 N91 R92 C93 | C52-F61 VanDerWaalsContact O-CE2 3.32Å; C52-F61 WeakPolarHBondContact O-CE2 3.48Å; F61-L63 HydrophobicContact CE1-CB 4.18Å; F61-L63 HydrophobicContact CE1-CD1 4.49Å; F61-L63 HydrophobicContact CZ-CD1 4.37Å; F61-M90 HydrophobicContact CB-CE 4.45Å; F61-M90 HydrophobicContact CB-SD 4.07Å; F61-M90 HydrophobicContact CD1-CE 4.06Å; F61-M90 HydrophobicContact CG-CE 4.19Å; F61-M90 HydrophobicContact CG-SD 4.18Å; F61-N91 WeakPolarHBondContact CB-O 3.42Å; F61-N91 PolarHBondContact N-O 3.47Å; F61-R92 HydrophobicContact CB-CB 4.35Å; F61-R92 CarbonylContact O-C 3.6Å; F61-R92 VanDerWaalsContact O-CA 3.29Å; F61-R92 WeakPolarHBondContact O-CA 3.48Å; F61-C93 PolarHBondContact O-N 2.93Å |
| 62 | F | 95.8 | Very high | 93 | Very high | 22 Ų | 22 | 88.8 Ų | 88.8 | 10% | 0.096 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 125.9 | 175.6 | 176.7 | -114.3 | 0 | 0 | 0 | 110 | F60 R64 G72 E73 L75 P79 Y82 C93 | F60-F62 PolarHBondContact O-N 3.17Å; F62-R64 HydrophobicContact CD1-CB 4.06Å; F62-R64 HydrophobicContact CE1-CB 3.73Å; F62-R64 HydrophobicContact CE1-CG 4.05Å; F62-R64 PolarHBondContact O-N 2.68Å; F62-G72 WeakPolarHBondContact O-CA 3.41Å; F62-E73 PolarHBondContact N-O 3.33Å; F62-E73 PolarHBondContact O-N 2.91Å; F62-L75 HydrophobicContact CB-CD1 3.69Å; F62-L75 HydrophobicContact CB-CG 4.18Å; F62-L75 HydrophobicContact CD1-CD1 3.94Å; F62-L75 HydrophobicContact CG-CD1 3.9Å; F62-P79 HydrophobicContact CD2-CG 4.07Å; F62-P79 HydrophobicContact CE1-CG 4.26Å; F62-P79 HydrophobicContact CE2-CG 3.63Å; F62-P79 HydrophobicContact CZ-CG 3.74Å; F62-Y82 HydrophobicContact CD2-CD1 4.3Å; F62-Y82 HydrophobicContact CD2-CE1 4.37Å; F62-Y82 AromaticContact CE2-CD1 3.91Å; F62-Y82 HydrophobicContact CE2-CD1 3.91Å; F62-Y82 HydrophobicContact CE2-CD2 4.03Å; F62-Y82 AromaticContact CE2-CE1 3.74Å; F62-Y82 HydrophobicContact CE2-CE1 3.74Å; F62-Y82 AromaticContact CE2-CE2 3.89Å; F62-Y82 HydrophobicContact CE2-CE2 3.89Å; F62-Y82 HydrophobicContact CE2-CG 4.07Å; F62-Y82 AromaticContact CE2-CZ 3.74Å; F62-Y82 HydrophobicContact CZ-CE2 4.38Å; F62-C93 HydrophobicContact CB-CB 4.24Å; F62-C93 HydrophobicContact CD2-CB 3.78Å; F62-C93 HydrophobicContact CG-CB 4.49Å |
| 63 | L | 94.5 | Very high | 93.1 | Very high | 83 Ų | 83 | 90 Ų | 90 | 44% | 0.435 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 104 | 175.3 | -170.1 | 68.1 | 0 | 0 | 0 | 109.2 | F61 Q70 | F61-L63 HydrophobicContact CE1-CB 4.18Å; F61-L63 HydrophobicContact CE1-CD1 4.49Å; F61-L63 HydrophobicContact CZ-CD1 4.37Å; L63-Q70 HydrophobicContact CD1-CB 4.17Å; L63-Q70 HydrophobicContact CG-CB 4.46Å |
| 64 | R | 94.1 | Very high | 93.2 | Very high | 107 Ų | 107 | 87.8 Ų | 87.8 | 40% | 0.404 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 135.7 | 178.6 | -170.3 | 160.8 | 172.3 | -160.6 | -0.8 | 110 | F62 Q70 Y71 E73 | F62-R64 HydrophobicContact CD1-CB 4.06Å; F62-R64 HydrophobicContact CE1-CB 3.73Å; F62-R64 HydrophobicContact CE1-CG 4.05Å; F62-R64 PolarHBondContact O-N 2.68Å; R64-Q70 WeakPolarHBondContact O-CA 3.36Å; R64-Y71 HydrophobicContact CB-CE1 4.27Å; R64-Y71 HydrophobicContact CB-CE2 4.15Å; R64-Y71 WeakPolarHBondContact CD-OH 3.5Å; R64-Y71 HydrophobicContact CG-CE1 4.24Å; R64-Y71 PolarHBondContact N-O 3.43Å; R64-Y71 PolarHBondContact NE-OH 3.25Å; R64-Y71 PolarHBondContact NH1-OH 2.89Å; R64-Y71 PolarHBondContact O-N 3.15Å; R64-E73 VanDerWaalsContact CD-OE1 3.25Å; R64-E73 WeakPolarHBondContact CD-OE1 3.43Å; R64-E73 IonicContact CZ-OE1 2.91Å; R64-E73 IonicContact NE-OE1 3.96Å; R64-E73 IonicContact NH1-OE1 3.99Å; R64-E73 PolarHBondContact NH1-OE1 3.38Å; R64-E73 IonicContact NH1-OE2 3.15Å |
| 65 | R | 93.5 | Very high | 93.4 | Very high | 187 Ų | 187 | 82.1 Ų | 82.1 | 71% | 0.706 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 123 | 176.1 | -172.9 | 179 | -177.9 | -144.4 | 4.4 | 109.4 | G67 R69 Q70 | R65-G67 PolarHBondContact NE-O 2.85Å; R65-R69 WeakPolarHBondContact CA-O 3.39Å; R65-Q70 HydrophobicContact CB-CG 4.42Å; R65-Q70 HydrophobicContact CG-CG 4.22Å |
| 66 | E | 91.4 | Very high | 93.4 | Very high | 120 Ų | 120 | 88.5 Ų | 88.5 | 56% | 0.561 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 104.7 | 176.4 | -171.3 | 172.3 | -146.6 | 0 | 0 | 108.4 | M68 R69 Y71 | E66-M68 PolarHBondContact O-N 3.37Å; E66-R69 PolarHBondContact N-O 2.89Å; E66-R69 PolarHBondContact O-N 3.42Å; E66-Y71 HydrophobicContact CB-CE1 4.13Å |
| 67 | G | 91.7 | Very high | 93.5 | Very high | 61 Ų | 61 | 88.4 Ų | 88.4 | 63% | 0.629 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | -119.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R65 | R65-G67 PolarHBondContact NE-O 2.85Š|
| 68 | M | 92 | Very high | 93.8 | Very high | 190 Ų | 190 | 81.2 Ų | 81.2 | 94% | 0.936 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -10.6 | 177.5 | -63.9 | -171.6 | -71.4 | 0 | 0 | 113.5 | E66 | E66-M68 PolarHBondContact O-N 3.37Š|
| 69 | R | 90 | Very high | 94 | Very high | 196 Ų | 196 | 74.4 Ų | 74.4 | 74% | 0.74 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 146.1 | -178.5 | -68.2 | -178.3 | 173 | 146.2 | -1.3 | 110.8 | R65 E66 | R65-R69 WeakPolarHBondContact CA-O 3.39Å; E66-R69 PolarHBondContact N-O 2.89Å; E66-R69 PolarHBondContact O-N 3.42Å |
| 70 | Q | 93.9 | Very high | 93.7 | Very high | 101 Ų | 101 | 79.4 Ų | 79.4 | 47% | 0.472 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 132.3 | 169.5 | -65.7 | -177.3 | 5.5 | 0 | 0 | 108.2 | L63 R64 R65 | L63-Q70 HydrophobicContact CD1-CB 4.17Å; L63-Q70 HydrophobicContact CG-CB 4.46Å; R64-Q70 WeakPolarHBondContact O-CA 3.36Å; R65-Q70 HydrophobicContact CB-CG 4.42Å; R65-Q70 HydrophobicContact CG-CG 4.22Å |
| 71 | Y | 93.3 | Very high | 93.5 | Very high | 21 Ų | 21 | 79.9 Ų | 79.9 | 8% | 0.082 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 147.5 | 178.6 | 63.2 | -88 | 0 | 0 | 0 | 110.4 | I39 N50 R64 E66 E73 | I39-Y71 HydrophobicContact CD1-CD2 4.43Å; I39-Y71 HydrophobicContact CD1-CE2 4.29Å; I39-Y71 HydrophobicContact CG1-CE2 4.33Å; I39-Y71 HydrophobicContact CG2-CD2 3.72Å; I39-Y71 HydrophobicContact CG2-CE2 4.11Å; N50-Y71 CarbonylContact O-C 3.48Å; N50-Y71 WeakPolarHBondContact O-CA 3.35Å; R64-Y71 HydrophobicContact CB-CE1 4.27Å; R64-Y71 HydrophobicContact CB-CE2 4.15Å; R64-Y71 WeakPolarHBondContact CD-OH 3.5Å; R64-Y71 HydrophobicContact CG-CE1 4.24Å; R64-Y71 PolarHBondContact N-O 3.43Å; R64-Y71 PolarHBondContact NE-OH 3.25Å; R64-Y71 PolarHBondContact NH1-OH 2.89Å; R64-Y71 PolarHBondContact O-N 3.15Å; E66-Y71 HydrophobicContact CB-CE1 4.13Å; Y71-E73 HydrophobicContact CD2-CG 3.98Å; Y71-E73 HydrophobicContact CE2-CG 3.65Å; Y71-E73 WeakPolarHBondContact CE2-OE1 3.42Å; Y71-E73 PolarHBondContact OH-OE1 2.9Å |
| 72 | G | 93.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.01 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 135.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N50 C52 F62 | N50-G72 PolarHBondContact O-N 3.49Å; C52-G72 WeakPolarHBondContact CB-O 3.09Å; C52-G72 PolarHBondContact N-O 3.25Å; C52-G72 WeakPolarHBondContact O-CA 3.44Å; F62-G72 WeakPolarHBondContact O-CA 3.41Å |
| 73 | E | 94.4 | Very high | 93.4 | Very high | 29 Ų | 29 | 81.3 Ų | 81.3 | 14% | 0.136 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 149.2 | 170.9 | -67.2 | 179.4 | 171.7 | 0 | 0 | 109.1 | I39 F62 R64 Y71 | I39-E73 HydrophobicContact CG2-CG 4.41Å; F62-E73 PolarHBondContact N-O 3.33Å; F62-E73 PolarHBondContact O-N 2.91Å; R64-E73 VanDerWaalsContact CD-OE1 3.25Å; R64-E73 WeakPolarHBondContact CD-OE1 3.43Å; R64-E73 IonicContact CZ-OE1 2.91Å; R64-E73 IonicContact NE-OE1 3.96Å; R64-E73 IonicContact NH1-OE1 3.99Å; R64-E73 PolarHBondContact NH1-OE1 3.38Å; R64-E73 IonicContact NH1-OE2 3.15Å; Y71-E73 HydrophobicContact CD2-CG 3.98Å; Y71-E73 HydrophobicContact CE2-CG 3.65Å; Y71-E73 WeakPolarHBondContact CE2-OE1 3.42Å; Y71-E73 PolarHBondContact OH-OE1 2.9Å |
| 74 | C | 95.1 | Very high | 93.5 | Very high | 16 Ų | 16 | 78.8 Ų | 78.8 | 11% | 0.108 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119 | 174 | -60.1 | 0 | 0 | 0 | 0 | 110.1 | C52 C55 L59 F60 | C52-C74 PolarHBondContact SG-SG 3.09Å; C55-C74 WeakPolarHBondContact CA-SG 3.44Å; C55-C74 HydrophobicContact CB-CB 3.86Å; C55-C74 WeakPolarHBondContact CB-SG 3.21Å; C55-C74 WeakPolarHBondContact SG-CA 3.33Å; C55-C74 WeakPolarHBondContact SG-CB 3.5Å; C55-C74 CovalentContact SG-SG 2.03Å; C55-C74 PolarHBondContact SG-SG 3.14Å; L59-C74 HydrophobicContact CB-CB 4.1Å; L59-C74 HydrophobicContact CD1-CB 3.79Å; F60-C74 WeakPolarHBondContact O-CA 3.3Å |
| 75 | L | 95.4 | Very high | 93.5 | Very high | 47 Ų | 47 | 77.1 Ų | 77.1 | 25% | 0.246 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 150.6 | -174.4 | -56.1 | 178.5 | 0 | 0 | 0 | 111.4 | L59 F60 F62 S77 | L59-L75 WeakPolarHBondContact CA-O 3.26Å; F60-L75 PolarHBondContact N-O 3.5Å; F60-L75 PolarHBondContact O-N 2.85Å; F62-L75 HydrophobicContact CB-CD1 3.69Å; F62-L75 HydrophobicContact CB-CG 4.18Å; F62-L75 HydrophobicContact CD1-CD1 3.94Å; F62-L75 HydrophobicContact CG-CD1 3.9Å; L75-S77 WeakPolarHBondContact CB-O 3.04Å |
| 76 | H | 94.8 | Very high | 93.5 | Very high | 150 Ų | 150 | 76.8 Ų | 76.8 | 69% | 0.694 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -73.7 | -35.1 | 170.7 | -77.8 | -78.4 | 0 | 0 | 0 | 112.3 | L59 F60 | L59-H76 HydrophobicContact CD2-CB 4.5Å; L59-H76 VanDerWaalsContact CD2-CE1 3.43Å; L59-H76 WeakPolarHBondContact CD2-CE1 3.28Å; L59-H76 WeakPolarHBondContact CD2-ND1 3.31Å; F60-H76 WeakPolarHBondContact CD2-O 3.17Å |
| 77 | S | 93.9 | Very high | 93.4 | Very high | 95 Ų | 95 | 71.9 Ų | 71.9 | 66% | 0.664 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -137.7 | 143.8 | 179.1 | -58.3 | 0 | 0 | 0 | 0 | 109.1 | L75 | L75-S77 WeakPolarHBondContact CB-O 3.04Š|
| 78 | C | 94.7 | Very high | 93.4 | Very high | 29 Ų | 29 | 75.9 Ų | 75.9 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 146.4 | 177.9 | -63.9 | 0 | 0 | 0 | 0 | 111.4 | C93 | C78-C93 WeakPolarHBondContact CA-SG 3.43Å; C78-C93 HydrophobicContact CB-CB 3.82Å; C78-C93 WeakPolarHBondContact CB-SG 3.5Å; C78-C93 WeakPolarHBondContact SG-CA 3.27Å; C78-C93 WeakPolarHBondContact SG-CB 3.48Å; C78-C93 CovalentContact SG-SG 2.04Å; C78-C93 PolarHBondContact SG-SG 3.13Å |
| 79 | P | 93.9 | Very high | 93.2 | Very high | 48 Ų | 48 | 72 Ų | 72 | 31% | 0.312 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 168.2 | 178.7 | 30.4 | -35.2 | 0 | 0 | 0 | 112 | F62 Y82 | F62-P79 HydrophobicContact CD2-CG 4.07Å; F62-P79 HydrophobicContact CE1-CG 4.26Å; F62-P79 HydrophobicContact CE2-CG 3.63Å; F62-P79 HydrophobicContact CZ-CG 3.74Å; P79-Y82 HydrophobicContact CG-CD2 4.05Å; P79-Y82 HydrophobicContact CG-CG 4.4Å; P79-Y82 WeakPolarHBondContact O-CB 3.42Å; P79-Y82 PolarHBondContact O-N 3.33Å |
| 80 | S | 90.6 | Very high | 93.2 | Very high | 114 Ų | 114 | 65.9 Ų | 65.9 | 80% | 0.797 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 139.8 | 177.1 | -53.7 | 0 | 0 | 0 | 0 | 112.3 | Y82 | S80-Y82 VanDerWaalsContact C-N 3.25Å; S80-Y82 PolarHBondContact O-N 3.05Å |
| 81 | G | 90.9 | Very high | 93.2 | Very high | 26 Ų | 26 | 62.4 Ų | 62.4 | 27% | 0.268 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 4.3 | -173 | 0 | 0 | 0 | 0 | 0 | 114.9 | C96 | G81-C96 WeakPolarHBondContact O-CB 2.95Å; G81-C96 PolarHBondContact O-N 3.42Å |
| 82 | Y | 94.5 | Very high | 93.3 | Very high | 59 Ų | 59 | 66.2 Ų | 66.2 | 23% | 0.231 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 147.7 | 173 | -67.9 | -105.6 | 0 | 0 | 0 | 111 | F62 P79 S80 C93 A94 R95 | F62-Y82 HydrophobicContact CD2-CD1 4.3Å; F62-Y82 HydrophobicContact CD2-CE1 4.37Å; F62-Y82 AromaticContact CE2-CD1 3.91Å; F62-Y82 HydrophobicContact CE2-CD1 3.91Å; F62-Y82 HydrophobicContact CE2-CD2 4.03Å; F62-Y82 AromaticContact CE2-CE1 3.74Å; F62-Y82 HydrophobicContact CE2-CE1 3.74Å; F62-Y82 AromaticContact CE2-CE2 3.89Å; F62-Y82 HydrophobicContact CE2-CE2 3.89Å; F62-Y82 HydrophobicContact CE2-CG 4.07Å; F62-Y82 AromaticContact CE2-CZ 3.74Å; F62-Y82 HydrophobicContact CZ-CE2 4.38Å; P79-Y82 HydrophobicContact CG-CD2 4.05Å; P79-Y82 HydrophobicContact CG-CG 4.4Å; P79-Y82 WeakPolarHBondContact O-CB 3.42Å; P79-Y82 PolarHBondContact O-N 3.33Å; S80-Y82 VanDerWaalsContact C-N 3.25Å; S80-Y82 PolarHBondContact O-N 3.05Å; Y82-C93 HydrophobicContact CD1-CB 4.22Å; Y82-A94 CarbonylContact C-O 3.58Å; Y82-A94 WeakPolarHBondContact CA-O 3.32Å; Y82-A94 WeakPolarHBondContact CB-O 2.99Å; Y82-R95 HydrophobicContact CD1-CB 4.04Å; Y82-R95 HydrophobicContact CE1-CB 3.73Å; Y82-R95 HydrophobicContact CE1-CG 4.39Å; Y82-R95 PolarHBondContact OH-NE 2.97Å; Y82-R95 PolarHBondContact OH-NH2 2.86Å; Y82-R95 VanDerWaalsContact OH-NH2 3.13Å |
| 83 | Y | 95.6 | Very high | 93.4 | Very high | 27 Ų | 27 | 66.9 Ų | 66.9 | 11% | 0.106 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 149.6 | 174.4 | 71.4 | -86.6 | 0 | 0 | 0 | 110.7 | H85 A94 C104 F105 K107 | Y83-H85 HydrophobicContact CE2-CB 4.1Å; Y83-H85 PolarHBondContact O-N 3.16Å; Y83-A94 HydrophobicContact CD1-CB 4.18Å; Y83-A94 VanDerWaalsContact CD1-O 3.28Å; Y83-A94 WeakPolarHBondContact CD1-O 3.44Å; Y83-A94 HydrophobicContact CE1-CB 3.6Å; Y83-A94 HydrophobicContact CE2-CB 4.04Å; Y83-A94 PolarHBondContact N-O 3.22Å; Y83-A94 PolarHBondContact O-N 2.99Å; Y83-C104 WeakPolarHBondContact CB-O 3.26Å; Y83-F105 WeakPolarHBondContact CD2-O 3.35Å; Y83-K107 WeakPolarHBondContact OH-CB 3.36Å |
| 84 | G | 95.5 | Very high | 93.5 | Very high | 31 Ų | 31 | 66.5 Ų | 66.5 | 32% | 0.32 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 118.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F60 | F60-G84 VanDerWaalsContact CE1-CA 3.43Å |
| 85 | H | 95.1 | Very high | 93.4 | Very high | 71 Ų | 71 | 73.4 Ų | 73.4 | 33% | 0.329 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 117.9 | 175 | -178 | 71.7 | 0 | 0 | 0 | 109.9 | Y83 N91 R92 A94 | Y83-H85 HydrophobicContact CE2-CB 4.1Å; Y83-H85 PolarHBondContact O-N 3.16Å; H85-N91 WeakPolarHBondContact O-CA 3.31Å; H85-R92 HydrophobicContact CB-CG 4.35Å; H85-R92 PolarHBondContact N-O 3.2Å; H85-R92 PolarHBondContact O-N 2.85Å; H85-A94 HydrophobicContact CB-CB 4.38Å |
| 86 | R | 93.3 | Very high | 93.4 | Very high | 181 Ų | 181 | 72.2 Ų | 72.2 | 68% | 0.683 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 106.4 | 177.2 | -60.2 | -167 | 170.8 | 79.7 | -0.8 | 109.4 | F60 N91 | F60-R86 HydrophobicContact CE1-CG 4.24Å; R86-N91 VanDerWaalsContact CA-OD1 3.29Å; R86-N91 WeakPolarHBondContact CA-OD1 3.39Å; R86-N91 VanDerWaalsContact CB-OD1 3.28Å; R86-N91 WeakPolarHBondContact CB-OD1 3.42Å; R86-N91 VanDerWaalsContact CG-OD1 3.25Å; R86-N91 WeakPolarHBondContact CG-OD1 3.39Å |
| 87 | A | 89.7 | Confident | 93.4 | Very high | 16 Ų | 16 | 75 Ų | 75 | 13% | 0.132 | 39% | 0.393 | C | S | . | . | trans | -108.9 | 159.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | D89 M90 | A87-D89 WeakPolarHBondContact CB-OD1 3.42Å; A87-D89 PolarHBondContact O-N 3.45Å; A87-M90 PolarHBondContact N-O 3.11Å; A87-M90 PolarHBondContact O-N 3.3Å | ||
| 88 | P | 90.3 | Very high | 93.5 | Very high | 146 Ų | 146 | 71.9 Ų | 71.9 | 95% | 0.948 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -60.5 | -26.6 | -177.5 | -23.5 | 34.2 | 0 | 0 | 0 | 113.9 | ||
| 89 | D | 87.9 | Confident | 93.5 | Very high | 109 Ų | 109 | 77.9 Ų | 77.9 | 58% | 0.583 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -81.1 | -53 | 178.8 | 59.5 | -36.5 | 0 | 0 | 0 | 112.1 | A87 | A87-D89 WeakPolarHBondContact CB-OD1 3.42Å; A87-D89 PolarHBondContact O-N 3.45Å |
| 90 | M | 90.4 | Very high | 93.5 | Very high | 66 Ų | 66 | 78.1 Ų | 78.1 | 33% | 0.325 | 39% | 0.392 | S | S | . | . | trans | -162.4 | 156.1 | 175.9 | 62.7 | 178.2 | -179.5 | 0 | 0 | 112.5 | F61 A87 | F61-M90 HydrophobicContact CB-CE 4.45Å; F61-M90 HydrophobicContact CB-SD 4.07Å; F61-M90 HydrophobicContact CD1-CE 4.06Å; F61-M90 HydrophobicContact CG-CE 4.19Å; F61-M90 HydrophobicContact CG-SD 4.18Å; A87-M90 PolarHBondContact N-O 3.11Å; A87-M90 PolarHBondContact O-N 3.3Å | ||
| 91 | N | 94.9 | Very high | 93.7 | Very high | 28 Ų | 28 | 73.3 Ų | 73.3 | 15% | 0.15 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 131.1 | 168.7 | -58.8 | -36.1 | 0 | 0 | 0 | 109.2 | Q57 L59 F60 F61 H85 R86 | Q57-N91 PolarHBondContact O-ND2 2.91Å; L59-N91 WeakPolarHBondContact O-CB 3.32Å; F60-N91 WeakPolarHBondContact CA-O 3.43Å; F60-N91 HydrophobicContact CD1-CB 3.68Å; F60-N91 HydrophobicContact CE1-CB 3.92Å; F60-N91 HydrophobicContact CG-CB 4.21Å; F61-N91 WeakPolarHBondContact CB-O 3.42Å; F61-N91 PolarHBondContact N-O 3.47Å; H85-N91 WeakPolarHBondContact O-CA 3.31Å; R86-N91 VanDerWaalsContact CA-OD1 3.29Å; R86-N91 WeakPolarHBondContact CA-OD1 3.39Å; R86-N91 VanDerWaalsContact CB-OD1 3.28Å; R86-N91 WeakPolarHBondContact CB-OD1 3.42Å; R86-N91 VanDerWaalsContact CG-OD1 3.25Å; R86-N91 WeakPolarHBondContact CG-OD1 3.39Å |
| 92 | R | 95.5 | Very high | 93.9 | Very high | 101 Ų | 101 | 75.3 Ų | 75.3 | 38% | 0.381 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 153.3 | -179 | 63 | -177.4 | 170.4 | -156.8 | -9.9 | 112.2 | F61 H85 | F61-R92 HydrophobicContact CB-CB 4.35Å; F61-R92 CarbonylContact O-C 3.6Å; F61-R92 VanDerWaalsContact O-CA 3.29Å; F61-R92 WeakPolarHBondContact O-CA 3.48Å; H85-R92 HydrophobicContact CB-CG 4.35Å; H85-R92 PolarHBondContact N-O 3.2Å; H85-R92 PolarHBondContact O-N 2.85Å |
| 93 | C | 96 | Very high | 93.8 | Very high | 15 Ų | 15 | 74.4 Ų | 74.4 | 10% | 0.101 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 114.9 | 171 | -66 | 0 | 0 | 0 | 0 | 109.8 | F61 F62 C78 Y82 | F61-C93 PolarHBondContact O-N 2.93Å; F62-C93 HydrophobicContact CB-CB 4.24Å; F62-C93 HydrophobicContact CD2-CB 3.78Å; F62-C93 HydrophobicContact CG-CB 4.49Å; C78-C93 WeakPolarHBondContact CA-SG 3.43Å; C78-C93 HydrophobicContact CB-CB 3.82Å; C78-C93 WeakPolarHBondContact CB-SG 3.5Å; C78-C93 WeakPolarHBondContact SG-CA 3.27Å; C78-C93 WeakPolarHBondContact SG-CB 3.48Å; C78-C93 CovalentContact SG-SG 2.04Å; C78-C93 PolarHBondContact SG-SG 3.13Å; Y82-C93 HydrophobicContact CD1-CB 4.22Å |
| 94 | A | 94.9 | Very high | 93.7 | Very high | 22 Ų | 22 | 73.7 Ų | 73.7 | 18% | 0.182 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 139.1 | 176 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y82 Y83 H85 | Y82-A94 CarbonylContact C-O 3.58Å; Y82-A94 WeakPolarHBondContact CA-O 3.32Å; Y82-A94 WeakPolarHBondContact CB-O 2.99Å; Y83-A94 HydrophobicContact CD1-CB 4.18Å; Y83-A94 VanDerWaalsContact CD1-O 3.28Å; Y83-A94 WeakPolarHBondContact CD1-O 3.44Å; Y83-A94 HydrophobicContact CE1-CB 3.6Å; Y83-A94 HydrophobicContact CE2-CB 4.04Å; Y83-A94 PolarHBondContact N-O 3.22Å; Y83-A94 PolarHBondContact O-N 2.99Å; H85-A94 HydrophobicContact CB-CB 4.38Å |
| 95 | R | 94.1 | Very high | 93.7 | Very high | 161 Ų | 161 | 79.4 Ų | 79.4 | 61% | 0.608 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 138.4 | 179.1 | -175.6 | -178.9 | -71.4 | 166.7 | -3.5 | 110.5 | Y82 R97 | Y82-R95 HydrophobicContact CD1-CB 4.04Å; Y82-R95 HydrophobicContact CE1-CB 3.73Å; Y82-R95 HydrophobicContact CE1-CG 4.39Å; Y82-R95 PolarHBondContact OH-NE 2.97Å; Y82-R95 PolarHBondContact OH-NH2 2.86Å; Y82-R95 VanDerWaalsContact OH-NH2 3.13Å; R95-R97 PolarHBondContact O-N 3.24Å |
| 96 | C | 94.8 | Very high | 93.6 | Very high | 21 Ų | 21 | 77.8 Ų | 77.8 | 14% | 0.142 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 127.3 | 170.2 | -151.4 | 0 | 0 | 0 | 0 | 111.1 | G81 C104 | G81-C96 WeakPolarHBondContact O-CB 2.95Å; G81-C96 PolarHBondContact O-N 3.42Å; C96-C104 WeakPolarHBondContact CA-SG 3.28Å; C96-C104 HydrophobicContact CB-CB 4.38Å; C96-C104 WeakPolarHBondContact CB-SG 3.39Å; C96-C104 WeakPolarHBondContact SG-CB 3.4Å; C96-C104 CovalentContact SG-SG 2.03Å; C96-C104 PolarHBondContact SG-SG 3.37Å |
| 97 | R | 94.8 | Very high | 93.6 | Very high | 210 Ų | 210 | 75.1 Ų | 75.1 | 79% | 0.792 | 37% | 0.37 | S | S | * | . | trans | -115.7 | 3.9 | 178.8 | -62.9 | -172.2 | -177.1 | -177.6 | -0.1 | 113.5 | R95 | R95-R97 PolarHBondContact O-N 3.24Š| ||
| 98 | I | 95.7 | Very high | 93.8 | Very high | 28 Ų | 28 | 78.9 Ų | 78.9 | 14% | 0.144 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -73.9 | 131.7 | 178.7 | -54.1 | 172.6 | 0 | 0 | 0 | 108.2 | C101 C104 K107 F109 C110 | I98-C101 HydrophobicContact CB-CB 3.75Å; I98-C101 HydrophobicContact CG2-CB 3.95Å; I98-C101 WeakPolarHBondContact O-CB 3.25Å; I98-C104 HydrophobicContact CD1-CB 3.91Å; I98-K107 WeakPolarHBondContact CG1-O 3.49Å; I98-F109 VanDerWaalsContact CD1-C 3.41Å; I98-C110 HydrophobicContact CD1-CB 3.9Å; I98-C110 VanDerWaalsContact CD1-N 3.29Å; I98-C110 HydrophobicContact CG2-CB 4.26Å |
| 99 | E | 94.8 | Very high | 94.1 | Very high | 156 Ų | 156 | 76.6 Ų | 76.6 | 73% | 0.729 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 141.2 | 178.3 | -62.5 | -168.8 | 173.7 | 0 | 0 | 111 | C101 | E99-C101 PolarHBondContact O-N 3.42Š|
| 100 | N | 94.6 | Very high | 94.4 | Very high | 53 Ų | 53 | 71.4 Ų | 71.4 | 28% | 0.283 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 23 | 179.4 | -53.9 | -44.3 | 0 | 0 | 0 | 115.6 | K114 F117 C124 | N100-K114 WeakPolarHBondContact O-CG 3.42Å; N100-K114 PolarHBondContact O-N 3.07Å; N100-F117 HydrophobicContact CB-CD1 3.65Å; N100-F117 HydrophobicContact CB-CD2 3.85Å; N100-F117 HydrophobicContact CB-CE1 3.71Å; N100-F117 HydrophobicContact CB-CE2 3.88Å; N100-F117 HydrophobicContact CB-CG 3.74Å; N100-F117 HydrophobicContact CB-CZ 3.82Å; N100-F117 WeakPolarHBondContact ND2-CE1 3Å; N100-F117 WeakPolarHBondContact ND2-CZ 3.41Å; N100-C124 HydrophobicContact CB-CB 4.06Å; N100-C124 PolarHBondContact O-SG 3.25Å |
| 101 | C | 95.3 | Very high | 94.6 | Very high | 13 Ų | 13 | 71.5 Ų | 71.5 | 9% | 0.088 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 134.8 | 177 | -171.7 | 0 | 0 | 0 | 0 | 111.6 | I98 E99 S103 C110 | I98-C101 HydrophobicContact CB-CB 3.75Å; I98-C101 HydrophobicContact CG2-CB 3.95Å; I98-C101 WeakPolarHBondContact O-CB 3.25Å; E99-C101 PolarHBondContact O-N 3.42Å; C101-S103 PolarHBondContact SG-O 3.12Å; C101-C110 VanDerWaalsContact CA-SG 3.59Å; C101-C110 HydrophobicContact CB-CB 4.01Å; C101-C110 WeakPolarHBondContact CB-SG 3.37Å; C101-C110 WeakPolarHBondContact SG-CB 3.02Å; C101-C110 CovalentContact SG-SG 2.04Å; C101-C110 PolarHBondContact SG-SG 3.18Å |
| 102 | D | 93.3 | Very high | 94.5 | Very high | 67 Ų | 67 | 75.9 Ų | 75.9 | 36% | 0.358 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -45.8 | 174.5 | -175.4 | 35.6 | 0 | 0 | 0 | 110.6 | K112 K114 | D102-K112 WeakPolarHBondContact CB-O 3.38Å; D102-K112 PolarHBondContact N-O 2.97Å; D102-K112 IonicContact OD2-NZ 2.68Å; D102-K112 PolarHBondContact OD2-NZ 3.35Å; D102-K112 VanDerWaalsContact OD2-NZ 3.14Å; D102-K114 HydrophobicContact CB-CG 4.41Å |
| 103 | S | 92.7 | Very high | 94.5 | Very high | 41 Ų | 41 | 71.8 Ų | 71.8 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 137.2 | 175 | 66 | 0 | 0 | 0 | 0 | 111.2 | C101 C110 T111 K112 | C101-S103 PolarHBondContact SG-O 3.12Å; S103-C110 PolarHBondContact O-SG 3.48Å; S103-T111 PolarHBondContact O-N 2.9Å; S103-T111 PolarHBondContact O-OG1 3.43Å; S103-T111 PolarHBondContact OG-OG1 2.98Å; S103-K112 PolarHBondContact N-O 2.97Å; S103-K112 VanDerWaalsContact N-O 3.14Å; S103-K112 PolarHBondContact O-N 3.41Å; S103-K112 VanDerWaalsContact O-N 3.08Å; S103-K112 WeakPolarHBondContact OG-CB 3.3Å |
| 104 | C | 95.1 | Very high | 94.4 | Very high | 11 Ų | 11 | 76.2 Ų | 76.2 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 150.1 | 175.5 | 52 | 0 | 0 | 0 | 0 | 112 | Y83 C96 I98 F109 | Y83-C104 WeakPolarHBondContact CB-O 3.26Å; C96-C104 WeakPolarHBondContact CA-SG 3.28Å; C96-C104 HydrophobicContact CB-CB 4.38Å; C96-C104 WeakPolarHBondContact CB-SG 3.39Å; C96-C104 WeakPolarHBondContact SG-CB 3.4Å; C96-C104 CovalentContact SG-SG 2.03Å; C96-C104 PolarHBondContact SG-SG 3.37Å; I98-C104 HydrophobicContact CD1-CB 3.91Å; C104-F109 CarbonylContact C-O 3.53Å; C104-F109 WeakPolarHBondContact CA-O 3.42Å; C104-F109 VanDerWaalsContact CB-O 3.23Å; C104-F109 WeakPolarHBondContact CB-O 3.45Å |
| 105 | F | 94.3 | Very high | 94.4 | Very high | 151 Ų | 151 | 82 Ų | 82 | 66% | 0.662 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -85.7 | -38.8 | 175 | 176.1 | -102.6 | 0 | 0 | 0 | 111.4 | Y83 F109 T111 | Y83-F105 WeakPolarHBondContact CD2-O 3.35Å; F105-F109 HydrophobicContact CB-CD1 4.06Å; F105-F109 PolarHBondContact N-O 2.93Å; F105-T111 HydrophobicContact CB-CG2 3.67Å |
| 106 | S | 94.3 | Very high | 94.3 | Very high | 37 Ų | 37 | 76.4 Ų | 76.4 | 26% | 0.259 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -138.5 | -175.9 | -178.6 | 80.5 | 0 | 0 | 0 | 0 | 110.9 | D108 F109 | S106-D108 PolarHBondContact O-N 2.93Å; S106-D108 PolarHBondContact OG-N 1.99Å; S106-F109 PolarHBondContact N-O 2.8Å; S106-F109 VanDerWaalsContact OG-CB 3.24Å; S106-F109 WeakPolarHBondContact OG-CB 3.37Å; S106-F109 PolarHBondContact OG-N 2.88Å; S106-F109 VanDerWaalsContact OG-N 3.17Å |
| 107 | K | 92.9 | Very high | 94.3 | Very high | 126 Ų | 126 | 77.7 Ų | 77.7 | 55% | 0.548 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -56.7 | -36.3 | 176.1 | -171.1 | -174.7 | 171.7 | -166.1 | 0 | 112.5 | Y83 I98 | Y83-K107 WeakPolarHBondContact OH-CB 3.36Å; I98-K107 WeakPolarHBondContact CG1-O 3.49Å |
| 108 | D | 93.4 | Very high | 94.3 | Very high | 95 Ų | 95 | 69.6 Ų | 69.6 | 51% | 0.508 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -120.1 | 3.3 | -169.1 | -55.2 | -58.8 | 0 | 0 | 0 | 112.9 | S106 | S106-D108 PolarHBondContact O-N 2.93Å; S106-D108 PolarHBondContact OG-N 1.99Å |
| 109 | F | 95.9 | Very high | 94.3 | Very high | 97 Ų | 97 | 69.4 Ų | 69.4 | 43% | 0.425 | 36% | 0.36 | S | S | . | . | trans | -126.6 | 108.7 | -177.3 | -162.3 | -82.9 | 0 | 0 | 0 | 111.9 | I98 C104 F105 S106 T111 | I98-F109 VanDerWaalsContact CD1-C 3.41Å; C104-F109 CarbonylContact C-O 3.53Å; C104-F109 WeakPolarHBondContact CA-O 3.42Å; C104-F109 VanDerWaalsContact CB-O 3.23Å; C104-F109 WeakPolarHBondContact CB-O 3.45Å; F105-F109 HydrophobicContact CB-CD1 4.06Å; F105-F109 PolarHBondContact N-O 2.93Å; S106-F109 PolarHBondContact N-O 2.8Å; S106-F109 VanDerWaalsContact OG-CB 3.24Å; S106-F109 WeakPolarHBondContact OG-CB 3.37Å; S106-F109 PolarHBondContact OG-N 2.88Å; S106-F109 VanDerWaalsContact OG-N 3.17Å; F109-T111 HydrophobicContact CD1-CG2 4.39Å; F109-T111 HydrophobicContact CE1-CG2 4.4Å | ||
| 110 | C | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 139.2 | 172.3 | -165.9 | 0 | 0 | 0 | 0 | 110.5 | I98 C101 S103 K112 L119 G122 C124 | I98-C110 HydrophobicContact CD1-CB 3.9Å; I98-C110 VanDerWaalsContact CD1-N 3.29Å; I98-C110 HydrophobicContact CG2-CB 4.26Å; C101-C110 VanDerWaalsContact CA-SG 3.59Å; C101-C110 HydrophobicContact CB-CB 4.01Å; C101-C110 WeakPolarHBondContact CB-SG 3.37Å; C101-C110 WeakPolarHBondContact SG-CB 3.02Å; C101-C110 CovalentContact SG-SG 2.04Å; C101-C110 PolarHBondContact SG-SG 3.18Å; S103-C110 PolarHBondContact O-SG 3.48Å; C110-K112 VanDerWaalsContact SG-C 3.55Å; C110-K112 PolarHBondContact SG-O 2.66Å; C110-L119 HydrophobicContact CB-CD1 4.09Å; C110-L119 WeakPolarHBondContact O-CD1 3.42Å; C110-G122 VanDerWaalsContact CB-O 3.23Å; C110-G122 WeakPolarHBondContact CB-O 3.03Å; C110-G122 PolarHBondContact N-O 3.01Å; C110-C124 PolarHBondContact SG-SG 2.89Å |
| 111 | T | 94.1 | Very high | 94.2 | Very high | 69 Ų | 69 | 69.9 Ų | 69.9 | 42% | 0.423 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | -26.5 | 175.1 | 44.4 | 0 | 0 | 0 | 0 | 112.3 | S103 F105 F109 | S103-T111 PolarHBondContact O-N 2.9Å; S103-T111 PolarHBondContact O-OG1 3.43Å; S103-T111 PolarHBondContact OG-OG1 2.98Å; F105-T111 HydrophobicContact CB-CG2 3.67Å; F109-T111 HydrophobicContact CD1-CG2 4.39Å; F109-T111 HydrophobicContact CE1-CG2 4.4Å |
| 112 | K | 93.3 | Very high | 94.1 | Very high | 120 Ų | 120 | 69.3 Ų | 69.3 | 52% | 0.522 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 123.3 | 178.5 | -167.1 | -174 | 170.8 | -154.6 | 0 | 110.1 | D102 S103 C110 | D102-K112 WeakPolarHBondContact CB-O 3.38Å; D102-K112 PolarHBondContact N-O 2.97Å; D102-K112 IonicContact OD2-NZ 2.68Å; D102-K112 PolarHBondContact OD2-NZ 3.35Å; D102-K112 VanDerWaalsContact OD2-NZ 3.14Å; S103-K112 PolarHBondContact N-O 2.97Å; S103-K112 VanDerWaalsContact N-O 3.14Å; S103-K112 PolarHBondContact O-N 3.41Å; S103-K112 VanDerWaalsContact O-N 3.08Å; S103-K112 WeakPolarHBondContact OG-CB 3.3Å; C110-K112 VanDerWaalsContact SG-C 3.55Å; C110-K112 PolarHBondContact SG-O 2.66Å |
| 113 | C | 95.2 | Very high | 94.2 | Very high | 15 Ų | 15 | 72.6 Ų | 72.6 | 10% | 0.101 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 160.8 | 175.3 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | F117 C124 | C113-F117 HydrophobicContact CB-CB 3.95Å; C113-F117 WeakPolarHBondContact CB-O 3.44Å; C113-C124 WeakPolarHBondContact CA-SG 3.44Å; C113-C124 HydrophobicContact CB-CB 3.77Å; C113-C124 WeakPolarHBondContact CB-SG 3.29Å; C113-C124 WeakPolarHBondContact SG-CA 3.43Å; C113-C124 WeakPolarHBondContact SG-CB 3.09Å; C113-C124 CovalentContact SG-SG 2.03Å; C113-C124 PolarHBondContact SG-SG 3.21Å |
| 114 | K | 94.3 | Very high | 94.4 | Very high | 107 Ų | 107 | 71.3 Ų | 71.3 | 47% | 0.465 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 159.4 | 168.3 | -67.5 | -179.3 | -172.6 | 175.7 | 0 | 109.8 | N100 D102 G116 F117 | N100-K114 WeakPolarHBondContact O-CG 3.42Å; N100-K114 PolarHBondContact O-N 3.07Å; D102-K114 HydrophobicContact CB-CG 4.41Å; K114-G116 PolarHBondContact O-N 2.82Å; K114-F117 HydrophobicContact CB-CD2 4.19Å; K114-F117 PolarHBondContact O-N 2.66Å |
| 115 | V | 93 | Very high | 94.4 | Very high | 143 Ų | 143 | 74.2 Ų | 74.2 | 87% | 0.867 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 134.6 | 178.1 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 116 | G | 92.1 | Very high | 94.4 | Very high | 45 Ų | 45 | 72.4 Ų | 72.4 | 46% | 0.464 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 7.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | K114 | K114-G116 PolarHBondContact O-N 2.82Š|
| 117 | F | 95.6 | Very high | 94.2 | Very high | 48 Ų | 48 | 78 Ų | 78 | 21% | 0.211 | 38% | 0.378 | C | S | . | . | trans | -122.8 | 139.9 | 174.6 | -66.8 | -93.5 | 0 | 0 | 0 | 111.1 | N100 C113 K114 C124 F125 D126 | N100-F117 HydrophobicContact CB-CD1 3.65Å; N100-F117 HydrophobicContact CB-CD2 3.85Å; N100-F117 HydrophobicContact CB-CE1 3.71Å; N100-F117 HydrophobicContact CB-CE2 3.88Å; N100-F117 HydrophobicContact CB-CG 3.74Å; N100-F117 HydrophobicContact CB-CZ 3.82Å; N100-F117 WeakPolarHBondContact ND2-CE1 3Å; N100-F117 WeakPolarHBondContact ND2-CZ 3.41Å; C113-F117 HydrophobicContact CB-CB 3.95Å; C113-F117 WeakPolarHBondContact CB-O 3.44Å; K114-F117 HydrophobicContact CB-CD2 4.19Å; K114-F117 PolarHBondContact O-N 2.66Å; F117-C124 HydrophobicContact CB-CB 4.12Å; F117-F125 CarbonylContact C-O 3.58Å; F117-F125 VanDerWaalsContact CA-O 3.25Å; F117-F125 WeakPolarHBondContact CA-O 2.99Å; F117-D126 HydrophobicContact CD1-CB 4.45Å; F117-D126 HydrophobicContact CE1-CB 4.26Å | ||
| 118 | Y | 94.8 | Very high | 94.1 | Very high | 39 Ų | 39 | 73.2 Ų | 73.2 | 15% | 0.153 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 134.9 | 177.8 | -57.5 | -83.7 | 0 | 0 | 0 | 111.5 | C124 F125 D126 P134 E136 M139 C141 | Y118-C124 WeakPolarHBondContact O-CA 3.3Å; Y118-F125 PolarHBondContact N-O 2.94Å; Y118-F125 PolarHBondContact O-N 3.07Å; Y118-D126 WeakPolarHBondContact CD2-O 3.43Å; Y118-D126 WeakPolarHBondContact CE2-O 3.16Å; Y118-P134 HydrophobicContact CD1-CB 3.79Å; Y118-P134 HydrophobicContact CD2-CB 4.46Å; Y118-P134 HydrophobicContact CE1-CB 3.36Å; Y118-P134 HydrophobicContact CE2-CB 4.1Å; Y118-P134 HydrophobicContact CG-CB 4.32Å; Y118-E136 PolarHBondContact OH-OE2 2.91Å; Y118-M139 WeakPolarHBondContact CA-O 3.41Å; Y118-M139 HydrophobicContact CD1-SD 4.32Å; Y118-M139 HydrophobicContact CE1-SD 3.94Å; Y118-C141 WeakPolarHBondContact CB-SG 3.44Å |
| 119 | L | 95.1 | Very high | 93.9 | Very high | 25 Ų | 25 | 70.8 Ų | 70.8 | 13% | 0.131 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 123.8 | 175.3 | -177.2 | 69.6 | 0 | 0 | 0 | 110.5 | C110 R123 M139 E140 C141 | C110-L119 HydrophobicContact CB-CD1 4.09Å; C110-L119 WeakPolarHBondContact O-CD1 3.42Å; L119-R123 WeakPolarHBondContact CA-O 3.43Å; L119-M139 PolarHBondContact N-O 3.03Å; L119-E140 HydrophobicContact CB-CG 4.27Å; L119-C141 PolarHBondContact O-N 2.85Å |
| 120 | H | 94.6 | Very high | 93.3 | Very high | 22 Ų | 22 | 74 Ų | 74 | 10% | 0.102 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 119.3 | 173.1 | -174.6 | 68.2 | 0 | 0 | 0 | 110.9 | G122 R123 F125 F132 C141 | H120-G122 PolarHBondContact O-N 3Å; H120-G122 VanDerWaalsContact O-N 3.12Å; H120-R123 PolarHBondContact N-O 2.98Å; H120-R123 PolarHBondContact O-N 3.36Å; H120-F125 HydrophobicContact CB-CD2 3.83Å; H120-F125 HydrophobicContact CB-CE2 3.89Å; H120-F132 AromaticContact CE1-CD1 3.58Å; H120-F132 AromaticContact CE1-CD2 3.73Å; H120-F132 AromaticContact CE1-CE1 3.47Å; H120-F132 VanDerWaalsContact CE1-CE1 3.47Å; H120-F132 WeakPolarHBondContact CE1-CE1 3.36Å; H120-F132 AromaticContact CE1-CE2 3.6Å; H120-F132 AromaticContact CE1-CG 3.74Å; H120-F132 AromaticContact CE1-CZ 3.49Å; H120-F132 VanDerWaalsContact CE1-CZ 3.49Å; H120-F132 WeakPolarHBondContact CE1-CZ 3.06Å; H120-F132 AromaticContact ND1-CD1 3.89Å; H120-C141 HydrophobicContact CB-CB 3.76Å |
| 121 | R | 93.1 | Very high | 92.4 | Very high | 196 Ų | 196 | 76.4 Ų | 76.4 | 74% | 0.74 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 40.8 | 177.6 | -64.3 | 179.9 | 174.2 | -176.5 | -0.4 | 113.5 | ||
| 122 | G | 93.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 75.6 Ų | 75.6 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 12 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | C110 H120 | C110-G122 VanDerWaalsContact CB-O 3.23Å; C110-G122 WeakPolarHBondContact CB-O 3.03Å; C110-G122 PolarHBondContact N-O 3.01Å; H120-G122 PolarHBondContact O-N 3Å; H120-G122 VanDerWaalsContact O-N 3.12Å |
| 123 | R | 95.8 | Very high | 91.5 | Very high | 135 Ų | 135 | 70.6 Ų | 70.6 | 51% | 0.509 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 159.8 | 173.1 | -67.2 | -169.7 | 175.6 | 93 | 2.3 | 110.9 | L119 H120 F125 | L119-R123 WeakPolarHBondContact CA-O 3.43Å; H120-R123 PolarHBondContact N-O 2.98Å; H120-R123 PolarHBondContact O-N 3.36Å; R123-F125 HydrophobicContact CB-CD2 4.48Å; R123-F125 HydrophobicContact CB-CE2 3.65Å; R123-F125 HydrophobicContact CB-CZ 4.01Å |
| 124 | C | 96.1 | Very high | 91.1 | Very high | 14 Ų | 14 | 73 Ų | 73 | 10% | 0.095 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.3 | -176.2 | -59.3 | 0 | 0 | 0 | 0 | 110.1 | N100 C110 C113 F117 Y118 | N100-C124 HydrophobicContact CB-CB 4.06Å; N100-C124 PolarHBondContact O-SG 3.25Å; C110-C124 PolarHBondContact SG-SG 2.89Å; C113-C124 WeakPolarHBondContact CA-SG 3.44Å; C113-C124 HydrophobicContact CB-CB 3.77Å; C113-C124 WeakPolarHBondContact CB-SG 3.29Å; C113-C124 WeakPolarHBondContact SG-CA 3.43Å; C113-C124 WeakPolarHBondContact SG-CB 3.09Å; C113-C124 CovalentContact SG-SG 2.03Å; C113-C124 PolarHBondContact SG-SG 3.21Å; F117-C124 HydrophobicContact CB-CB 4.12Å; Y118-C124 WeakPolarHBondContact O-CA 3.3Å |
| 125 | F | 95.4 | Very high | 90.7 | Very high | 72 Ų | 72 | 68.8 Ų | 68.8 | 32% | 0.316 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 149.2 | -179.1 | -61 | -89.8 | 0 | 0 | 0 | 110.4 | F117 Y118 H120 R123 E127 | F117-F125 CarbonylContact C-O 3.58Å; F117-F125 VanDerWaalsContact CA-O 3.25Å; F117-F125 WeakPolarHBondContact CA-O 2.99Å; Y118-F125 PolarHBondContact N-O 2.94Å; Y118-F125 PolarHBondContact O-N 3.07Å; H120-F125 HydrophobicContact CB-CD2 3.83Å; H120-F125 HydrophobicContact CB-CE2 3.89Å; R123-F125 HydrophobicContact CB-CD2 4.48Å; R123-F125 HydrophobicContact CB-CE2 3.65Å; R123-F125 HydrophobicContact CB-CZ 4.01Å; F125-E127 VanDerWaalsContact CB-O 3.3Å; F125-E127 WeakPolarHBondContact CB-O 3.04Å |
| 126 | D | 94.4 | Very high | 90.3 | Very high | 113 Ų | 113 | 67.9 Ų | 67.9 | 60% | 0.604 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -71.9 | -41.2 | 172.3 | 53 | -18 | 0 | 0 | 0 | 111.5 | F117 Y118 | F117-D126 HydrophobicContact CD1-CB 4.45Å; F117-D126 HydrophobicContact CE1-CB 4.26Å; Y118-D126 WeakPolarHBondContact CD2-O 3.43Å; Y118-D126 WeakPolarHBondContact CE2-O 3.16Å |
| 127 | E | 91.1 | Very high | 89.9 | Confident | 156 Ų | 156 | 73 Ų | 73 | 73% | 0.729 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -123.8 | 145.9 | 171.5 | -65.2 | -174.9 | 178.3 | 0 | 0 | 111 | F125 | F125-E127 VanDerWaalsContact CB-O 3.3Å; F125-E127 WeakPolarHBondContact CB-O 3.04Å |
| 128 | C | 90.2 | Very high | 89.5 | Confident | 25 Ų | 25 | 73.8 Ų | 73.8 | 17% | 0.169 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 140.8 | 178.3 | -71.9 | 0 | 0 | 0 | 0 | 111.7 | F132 P134 C141 | C128-F132 HydrophobicContact CB-CB 4.15Å; C128-P134 VanDerWaalsContact SG-CA 3.59Å; C128-C141 WeakPolarHBondContact CA-SG 3.43Å; C128-C141 HydrophobicContact CB-CB 3.89Å; C128-C141 WeakPolarHBondContact CB-SG 3.5Å; C128-C141 WeakPolarHBondContact SG-CA 3.49Å; C128-C141 WeakPolarHBondContact SG-CB 3.47Å; C128-C141 CovalentContact SG-SG 2.05Å; C128-C141 PolarHBondContact SG-SG 2.02Å |
| 129 | P | 89.4 | Confident | 89.3 | Confident | 43 Ų | 43 | 74.8 Ų | 74.8 | 28% | 0.279 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 163.2 | 179.2 | 27.2 | -33.7 | 0 | 0 | 0 | 112.2 | G131 F132 | P129-G131 PolarHBondContact O-N 3.32Å; P129-F132 HydrophobicContact CG-CB 4.48Å; P129-F132 HydrophobicContact CG-CD2 3.96Å; P129-F132 HydrophobicContact CG-CG 4.44Å; P129-F132 WeakPolarHBondContact O-CB 3.43Å; P129-F132 PolarHBondContact O-N 3.32Å |
| 130 | D | 82.3 | Confident | 89.1 | Confident | 165 Ų | 165 | 77.6 Ų | 77.6 | 88% | 0.882 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 132.6 | -179 | -68.7 | -40.3 | 0 | 0 | 0 | 112.8 | F132 | D130-F132 VanDerWaalsContact C-N 3.29Š|
| 131 | G | 76.6 | Confident | 88.9 | Confident | 50 Ų | 50 | 77.2 Ų | 77.2 | 52% | 0.515 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -5.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P129 G144 | P129-G131 PolarHBondContact O-N 3.32Å; G131-G144 WeakPolarHBondContact O-CA 3.26Å; G131-G144 PolarHBondContact O-N 3.35Å |
| 132 | F | 84.2 | Confident | 88.6 | Confident | 52 Ų | 52 | 69.7 Ų | 69.7 | 23% | 0.228 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 150.2 | 174.1 | -63 | -91.9 | 0 | 0 | 0 | 110.9 | H120 C128 P129 D130 C141 V142 E143 | H120-F132 AromaticContact CE1-CD1 3.58Å; H120-F132 AromaticContact CE1-CD2 3.73Å; H120-F132 AromaticContact CE1-CE1 3.47Å; H120-F132 VanDerWaalsContact CE1-CE1 3.47Å; H120-F132 WeakPolarHBondContact CE1-CE1 3.36Å; H120-F132 AromaticContact CE1-CE2 3.6Å; H120-F132 AromaticContact CE1-CG 3.74Å; H120-F132 AromaticContact CE1-CZ 3.49Å; H120-F132 VanDerWaalsContact CE1-CZ 3.49Å; H120-F132 WeakPolarHBondContact CE1-CZ 3.06Å; H120-F132 AromaticContact ND1-CD1 3.89Å; C128-F132 HydrophobicContact CB-CB 4.15Å; P129-F132 HydrophobicContact CG-CB 4.48Å; P129-F132 HydrophobicContact CG-CD2 3.96Å; P129-F132 HydrophobicContact CG-CG 4.44Å; P129-F132 WeakPolarHBondContact O-CB 3.43Å; P129-F132 PolarHBondContact O-N 3.32Å; D130-F132 VanDerWaalsContact C-N 3.29Å; F132-C141 HydrophobicContact CB-CB 4.08Å; F132-V142 CarbonylContact C-O 3.53Å; F132-V142 VanDerWaalsContact CA-O 3.26Å; F132-V142 WeakPolarHBondContact CA-O 3.44Å; F132-V142 WeakPolarHBondContact CB-O 3.42Å; F132-V142 WeakPolarHBondContact CD1-O 3.04Å; F132-E143 HydrophobicContact CD1-CG 4.35Å; F132-E143 HydrophobicContact CE1-CB 4.49Å; F132-E143 HydrophobicContact CE1-CG 3.7Å; F132-E143 HydrophobicContact CZ-CG 4.44Å |
| 133 | A | 84.6 | Confident | 88 | Confident | 15 Ų | 15 | 74.5 Ų | 74.5 | 12% | 0.124 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 144.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V142 I185 | A133-V142 PolarHBondContact N-O 3.42Å; A133-V142 WeakPolarHBondContact O-CG2 3.05Å; A133-V142 PolarHBondContact O-N 3.27Å; A133-I185 HydrophobicContact CB-CG2 3.33Å |
| 134 | P | 88 | Confident | 87 | Confident | 67 Ų | 67 | 68.3 Ų | 68.3 | 44% | 0.435 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 134.2 | 174.5 | 28.3 | -32.7 | 0 | 0 | 0 | 110.5 | Y118 C128 | Y118-P134 HydrophobicContact CD1-CB 3.79Å; Y118-P134 HydrophobicContact CD2-CB 4.46Å; Y118-P134 HydrophobicContact CE1-CB 3.36Å; Y118-P134 HydrophobicContact CE2-CB 4.1Å; Y118-P134 HydrophobicContact CG-CB 4.32Å; C128-P134 VanDerWaalsContact SG-CA 3.59Å |
| 135 | L | 85.1 | Confident | 86.1 | Confident | 17 Ų | 17 | 68.1 Ų | 68.1 | 9% | 0.089 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 106.2 | 170.3 | -177.9 | 61.1 | 0 | 0 | 0 | 109.6 | E137 T138 M139 E140 V142 K182 | L135-E137 VanDerWaalsContact C-N 3.29Å; L135-E137 HydrophobicContact CD1-CB 4.48Å; L135-E137 HydrophobicContact CG-CB 4.42Å; L135-E137 PolarHBondContact O-N 3.18Å; L135-T138 HydrophobicContact CD2-CG2 4.28Å; L135-T138 WeakPolarHBondContact CD2-OG1 3.23Å; L135-T138 PolarHBondContact O-N 2.87Å; L135-M139 WeakPolarHBondContact O-CA 3.49Å; L135-M139 PolarHBondContact O-N 2.93Å; L135-E140 WeakPolarHBondContact CB-O 3.43Å; L135-E140 PolarHBondContact N-O 3.12Å; L135-E140 PolarHBondContact O-N 2.82Å; L135-V142 HydrophobicContact CB-CG1 4.22Å; L135-V142 HydrophobicContact CB-CG2 4.12Å; L135-V142 HydrophobicContact CD2-CG1 4.02Å; L135-K182 HydrophobicContact CD1-CD 4.25Å; L135-K182 HydrophobicContact CD2-CD 4.39Å |
| 136 | E | 84.1 | Confident | 85.2 | Confident | 124 Ų | 124 | 69.1 Ų | 69.1 | 58% | 0.579 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -32.3 | -174.2 | -159.8 | 61.5 | -156.2 | 0 | 0 | 113.3 | Y118 T138 | Y118-E136 PolarHBondContact OH-OE2 2.91Å; E136-T138 VanDerWaalsContact C-N 3.3Å; E136-T138 PolarHBondContact O-N 3.42Å |
| 137 | E | 84.5 | Confident | 84.7 | Confident | 153 Ų | 153 | 65.7 Ų | 65.7 | 72% | 0.715 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -36.6 | -179.5 | -173.8 | -176.8 | -169.3 | 0 | 0 | 112.6 | L135 K182 | L135-E137 VanDerWaalsContact C-N 3.29Å; L135-E137 HydrophobicContact CD1-CB 4.48Å; L135-E137 HydrophobicContact CG-CB 4.42Å; L135-E137 PolarHBondContact O-N 3.18Å; E137-K182 IonicContact OE2-NZ 3.57Å; E137-K182 PolarHBondContact OE2-NZ 3.01Å |
| 138 | T | 86.1 | Confident | 84.3 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 39% | 0.393 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -7.9 | -174.8 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | L135 E136 E140 | L135-T138 HydrophobicContact CD2-CG2 4.28Å; L135-T138 WeakPolarHBondContact CD2-OG1 3.23Å; L135-T138 PolarHBondContact O-N 2.87Å; E136-T138 VanDerWaalsContact C-N 3.3Å; E136-T138 PolarHBondContact O-N 3.42Å; T138-E140 VanDerWaalsContact C-N 3.29Å; T138-E140 PolarHBondContact O-N 3.2Å; T138-E140 PolarHBondContact OG1-OE2 3.32Å |
| 139 | M | 90.8 | Very high | 84.3 | Confident | 60 Ų | 60 | 66.8 Ų | 66.8 | 30% | 0.296 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 43.4 | -171.7 | -66.8 | -68.7 | -154.2 | 0 | 0 | 112.3 | Y118 L119 L135 | Y118-M139 WeakPolarHBondContact CA-O 3.41Å; Y118-M139 HydrophobicContact CD1-SD 4.32Å; Y118-M139 HydrophobicContact CE1-SD 3.94Å; L119-M139 PolarHBondContact N-O 3.03Å; L135-M139 WeakPolarHBondContact O-CA 3.49Å; L135-M139 PolarHBondContact O-N 2.93Å |
| 140 | E | 91.4 | Very high | 84.3 | Confident | 84 Ų | 84 | 68 Ų | 68 | 39% | 0.393 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 150 | -179.4 | -63.7 | 179.7 | 147.4 | 0 | 0 | 111.3 | L119 L135 T138 | L119-E140 HydrophobicContact CB-CG 4.27Å; L135-E140 WeakPolarHBondContact CB-O 3.43Å; L135-E140 PolarHBondContact N-O 3.12Å; L135-E140 PolarHBondContact O-N 2.82Å; T138-E140 VanDerWaalsContact C-N 3.29Å; T138-E140 PolarHBondContact O-N 3.2Å; T138-E140 PolarHBondContact OG1-OE2 3.32Å |
| 141 | C | 90.1 | Very high | 84.7 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 10% | 0.095 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 110 | 170.3 | -64.6 | 0 | 0 | 0 | 0 | 109.8 | Y118 L119 H120 C128 F132 | Y118-C141 WeakPolarHBondContact CB-SG 3.44Å; L119-C141 PolarHBondContact O-N 2.85Å; H120-C141 HydrophobicContact CB-CB 3.76Å; C128-C141 WeakPolarHBondContact CA-SG 3.43Å; C128-C141 HydrophobicContact CB-CB 3.89Å; C128-C141 WeakPolarHBondContact CB-SG 3.5Å; C128-C141 WeakPolarHBondContact SG-CA 3.49Å; C128-C141 WeakPolarHBondContact SG-CB 3.47Å; C128-C141 CovalentContact SG-SG 2.05Å; C128-C141 PolarHBondContact SG-SG 2.02Å; F132-C141 HydrophobicContact CB-CB 4.08Å |
| 142 | V | 87.1 | Confident | 85.5 | Confident | 39 Ų | 39 | 68.1 Ų | 68.1 | 24% | 0.236 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 156.2 | 178.1 | -64.6 | 0 | 0 | 0 | 0 | 110.6 | F132 A133 L135 G144 I185 | F132-V142 CarbonylContact C-O 3.53Å; F132-V142 VanDerWaalsContact CA-O 3.26Å; F132-V142 WeakPolarHBondContact CA-O 3.44Å; F132-V142 WeakPolarHBondContact CB-O 3.42Å; F132-V142 WeakPolarHBondContact CD1-O 3.04Å; A133-V142 PolarHBondContact N-O 3.42Å; A133-V142 WeakPolarHBondContact O-CG2 3.05Å; A133-V142 PolarHBondContact O-N 3.27Å; L135-V142 HydrophobicContact CB-CG1 4.22Å; L135-V142 HydrophobicContact CB-CG2 4.12Å; L135-V142 HydrophobicContact CD2-CG1 4.02Å; V142-G144 PolarHBondContact O-N 2.87Å; V142-I185 HydrophobicContact CG2-CD1 3.46Å; V142-I185 VanDerWaalsContact CG2-CD1 3.46Å |
| 143 | E | 81.4 | Confident | 85.8 | Confident | 103 Ų | 103 | 68.1 Ų | 68.1 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 116.4 | 175.9 | -72 | -176.2 | -176.8 | 0 | 0 | 109.5 | F132 K178 | F132-E143 HydrophobicContact CD1-CG 4.35Å; F132-E143 HydrophobicContact CE1-CB 4.49Å; F132-E143 HydrophobicContact CE1-CG 3.7Å; F132-E143 HydrophobicContact CZ-CG 4.44Å; E143-K178 IonicContact OE2-NZ 3.88Å; E143-K178 PolarHBondContact OE2-NZ 2.81Å |
| 144 | G | 74.1 | Confident | 86 | Confident | 5 Ų | 5 | 69 Ų | 69 | 5% | 0.052 | 36% | 0.357 | C | S | . | . | trans | -80.3 | -170.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | G131 V142 E146 | G131-G144 WeakPolarHBondContact O-CA 3.26Å; G131-G144 PolarHBondContact O-N 3.35Å; V142-G144 PolarHBondContact O-N 2.87Å; G144-E146 PolarHBondContact O-N 3.45Å | ||
| 145 | C | 78.1 | Confident | 86.1 | Confident | 9 Ų | 9 | 72.3 Ų | 72.3 | 6% | 0.061 | 38% | 0.377 | C | S | . | . | trans | -71.9 | 123.2 | 174.9 | -48 | 0 | 0 | 0 | 0 | 110.7 | V147 I176 K178 P180 C187 | C145-V147 PolarHBondContact O-N 3.34Å; C145-I176 HydrophobicContact CB-CG2 4.23Å; C145-K178 VanDerWaalsContact CA-O 3.3Å; C145-K178 WeakPolarHBondContact CA-O 3.4Å; C145-P180 WeakPolarHBondContact SG-CD 3.47Å; C145-P180 VanDerWaalsContact SG-CG 3.57Å; C145-C187 HydrophobicContact CB-CB 3.6Å; C145-C187 WeakPolarHBondContact CB-SG 3.36Å; C145-C187 WeakPolarHBondContact SG-CA 3.22Å; C145-C187 WeakPolarHBondContact SG-CB 3.39Å; C145-C187 CovalentContact SG-SG 2.02Å; C145-C187 PolarHBondContact SG-SG 3.25Å | ||
| 146 | E | 75.5 | Confident | 86.4 | Confident | 93 Ų | 93 | 73.3 Ų | 73.3 | 44% | 0.435 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 124.2 | 167.2 | -61.9 | 175.1 | -173.1 | 0 | 0 | 108.3 | G144 V177 K178 | G144-E146 PolarHBondContact O-N 3.45Å; E146-V177 PolarHBondContact O-N 3.09Å; E146-K178 HydrophobicContact CB-CB 3.7Å; E146-K178 HydrophobicContact CG-CB 3.95Å; E146-K178 HydrophobicContact CG-CD 4.22Å; E146-K178 PolarHBondContact N-O 2.84Å; E146-K178 VanDerWaalsContact N-O 3.08Å; E146-K178 PolarHBondContact O-N 3.14Å; E146-K178 VanDerWaalsContact O-N 3.09Å; E146-K178 IonicContact OE1-NZ 3.85Å |
| 147 | V | 83.4 | Confident | 86.6 | Confident | 41 Ų | 41 | 70.1 Ų | 70.1 | 25% | 0.248 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 141.5 | 176.9 | -70.4 | 0 | 0 | 0 | 0 | 109.8 | C145 R174 Q175 I176 P188 | C145-V147 PolarHBondContact O-N 3.34Å; V147-R174 HydrophobicContact CB-CG 4.46Å; V147-Q175 WeakPolarHBondContact CA-O 3.23Å; V147-I176 HydrophobicContact CG1-CG1 4.14Å; V147-P188 HydrophobicContact CG1-CG 3.95Å; V147-P188 HydrophobicContact CG2-CG 4.34Å |
| 148 | G | 84 | Confident | 86.6 | Confident | 21 Ų | 21 | 68.6 Ų | 68.6 | 22% | 0.216 | 36% | 0.363 | C | S | . | . | trans | -74.4 | -179.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q175 | G148-Q175 PolarHBondContact N-O 2.75Š| ||
| 149 | H | 88.7 | Confident | 86.2 | Confident | 184 Ų | 184 | 70.2 Ų | 70.2 | 85% | 0.852 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 146.7 | 173.1 | -65.5 | 92.6 | 0 | 0 | 0 | 111 | ||
| 150 | W | 90.1 | Very high | 85.7 | Confident | 68 Ų | 68 | 75 Ų | 75 | 26% | 0.258 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -62 | 139.7 | 169.3 | -74.2 | 109.7 | 0 | 0 | 0 | 110.4 | R172 R174 I190 E192 | W150-R172 HydrophobicContact CD2-CG 4.2Å; W150-R172 HydrophobicContact CE3-CB 4.42Å; W150-R172 HydrophobicContact CE3-CG 3.65Å; W150-R172 HydrophobicContact CZ3-CG 4.12Å; W150-R174 HydrophobicContact CD2-CB 4.07Å; W150-R174 HydrophobicContact CD2-CG 4.09Å; W150-R174 HydrophobicContact CE3-CB 3.74Å; W150-R174 HydrophobicContact CE3-CG 3.78Å; W150-R174 HydrophobicContact CH2-CG 3.88Å; W150-R174 HydrophobicContact CZ2-CG 4.18Å; W150-R174 VanDerWaalsContact CZ2-NE 3.27Å; W150-R174 HydrophobicContact CZ3-CB 4.11Å; W150-R174 HydrophobicContact CZ3-CG 3.68Å; W150-I190 WeakPolarHBondContact CZ3-O 3.45Å; W150-E192 HydrophobicContact CH2-CB 3.79Å; W150-E192 HydrophobicContact CZ2-CB 4.31Å; W150-E192 HydrophobicContact CZ3-CB 4.03Å |
| 151 | S | 90.4 | Very high | 85.1 | Confident | 49 Ų | 49 | 78 Ų | 78 | 34% | 0.343 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 160.4 | 164.9 | 74.4 | 0 | 0 | 0 | 0 | 110.3 | T173 | S151-T173 VanDerWaalsContact CB-O 3.26Å; S151-T173 WeakPolarHBondContact CB-O 3.17Å; S151-T173 PolarHBondContact N-O 3.08Å; S151-T173 PolarHBondContact OG-N 3.33Å; S151-T173 PolarHBondContact OG-O 3.48Å |
| 152 | E | 93.3 | Very high | 84.7 | Confident | 169 Ų | 169 | 82.7 Ų | 82.7 | 79% | 0.79 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 152 | 160.1 | -69.5 | -55.9 | 135.4 | 0 | 0 | 110.5 | G154 | E152-G154 PolarHBondContact O-N 2.03Š|
| 153 | W | 91.3 | Very high | 84.5 | Confident | 52 Ų | 52 | 82.6 Ų | 82.6 | 20% | 0.197 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 128.6 | 176.8 | -71.7 | 95.6 | 0 | 0 | 0 | 110 | E170 R172 E192 R194 | W153-E170 HydrophobicContact CB-CG 4.47Å; W153-E170 WeakPolarHBondContact CB-OE2 3.43Å; W153-E170 HydrophobicContact CD2-CG 4.21Å; W153-E170 HydrophobicContact CE3-CB 4.34Å; W153-E170 HydrophobicContact CE3-CG 3.69Å; W153-E170 HydrophobicContact CZ3-CG 4.31Å; W153-R172 HydrophobicContact CD2-CB 4.08Å; W153-R172 HydrophobicContact CD2-CG 4.1Å; W153-R172 VanDerWaalsContact CE2-CD 3.48Å; W153-R172 HydrophobicContact CE3-CB 3.77Å; W153-R172 HydrophobicContact CE3-CG 3.77Å; W153-R172 HydrophobicContact CH2-CG 3.7Å; W153-R172 VanDerWaalsContact CZ2-CD 3.4Å; W153-R172 HydrophobicContact CZ2-CG 4Å; W153-R172 VanDerWaalsContact CZ2-NE 3.26Å; W153-R172 HydrophobicContact CZ3-CB 4.05Å; W153-R172 HydrophobicContact CZ3-CG 3.57Å; W153-E192 HydrophobicContact CH2-CB 4.41Å; W153-E192 HydrophobicContact CH2-CG 4.05Å; W153-R194 VanDerWaalsContact CD1-CZ 3.48Å; W153-R194 VanDerWaalsContact CD1-NH2 3.25Å; W153-R194 HydrophobicContact CD2-CG 4.33Å; W153-R194 HydrophobicContact CE3-CG 3.96Å; W153-R194 HydrophobicContact CH2-CB 3.96Å; W153-R194 HydrophobicContact CH2-CG 3.63Å; W153-R194 VanDerWaalsContact CZ2-CD 3.47Å; W153-R194 HydrophobicContact CZ2-CG 4.05Å; W153-R194 HydrophobicContact CZ3-CB 4.12Å; W153-R194 HydrophobicContact CZ3-CG 3.59Å; W153-R194 VanDerWaalsContact NE1-CZ 3.27Å; W153-R194 VanDerWaalsContact NE1-NH1 3.11Å |
| 154 | G | 89.4 | Confident | 84.4 | Confident | 33 Ų | 33 | 80 Ų | 80 | 34% | 0.34 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 166.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | E152 E170 T171 | E152-G154 PolarHBondContact O-N 2.03Å; G154-E170 WeakPolarHBondContact O-CB 3.2Å; G154-T171 WeakPolarHBondContact CA-O 3.03Å; G154-T171 PolarHBondContact N-O 3.03Å |
| 155 | T | 90.1 | Very high | 84.8 | Confident | 137 Ų | 137 | 80.4 Ų | 80.4 | 84% | 0.84 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 144.6 | 177.9 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | S157 | T155-S157 PolarHBondContact O-N 2.74Š|
| 156 | C | 90.4 | Very high | 85.1 | Confident | 37 Ų | 37 | 85.7 Ų | 85.7 | 25% | 0.25 | 46% | 0.457 | C | S | . | . | trans | -65.6 | 106.1 | 179.4 | -172.6 | 0 | 0 | 0 | 0 | 110.8 | C196 M198 | C156-C196 WeakPolarHBondContact CA-SG 3.35Å; C156-C196 HydrophobicContact CB-CB 3.73Å; C156-C196 WeakPolarHBondContact CB-SG 3.49Å; C156-C196 WeakPolarHBondContact SG-CB 3.47Å; C156-C196 CovalentContact SG-SG 1.99Å; C156-C196 PolarHBondContact SG-SG 3.01Å; C156-M198 HydrophobicContact CB-CE 4.25Å; C156-M198 HydrophobicContact CB-CG 4.34Å; C156-M198 WeakPolarHBondContact O-CE 3.43Å; C156-M198 WeakPolarHBondContact SG-CG 3.48Å | ||
| 157 | S | 88.6 | Confident | 85.5 | Confident | 58 Ų | 58 | 87.3 Ų | 87.3 | 41% | 0.406 | 46% | 0.459 | S | S | . | . | B | Isolated β-bridge | trans | -81.8 | 140.2 | -178.9 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | T155 N159 G168 L169 | T155-S157 PolarHBondContact O-N 2.74Å; S157-N159 VanDerWaalsContact C-N 3.35Å; S157-G168 CarbonylContact O-C 3.53Å; S157-G168 WeakPolarHBondContact O-CA 2.9Å; S157-L169 WeakPolarHBondContact CB-O 3.4Å; S157-L169 PolarHBondContact N-O 3.31Å; S157-L169 PolarHBondContact O-N 2.9Å |
| 158 | R | 84 | Confident | 85.8 | Confident | 120 Ų | 120 | 85.7 Ų | 85.7 | 45% | 0.453 | 45% | 0.45 | S | S | . | . | trans | -90.8 | 9.5 | -178.5 | 69.1 | -174.7 | 88 | 170.1 | 6.5 | 114 | N160 R161 M198 | R158-N160 VanDerWaalsContact C-N 3.27Å; R158-N160 PolarHBondContact O-N 2.94Å; R158-R161 WeakPolarHBondContact CD-O 3.18Å; R158-R161 WeakPolarHBondContact CG-O 3.25Å; R158-R161 WeakPolarHBondContact O-CB 3.11Å; R158-R161 PolarHBondContact O-N 2.98Å; R158-M198 HydrophobicContact CB-CE 4.34Å; R158-M198 HydrophobicContact CB-SD 4.3Å | ||
| 159 | N | 77.7 | Confident | 86.1 | Confident | 98 Ų | 98 | 87.3 Ų | 87.3 | 52% | 0.524 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.2 | 48.3 | -176.8 | -63.6 | -1.9 | 0 | 0 | 0 | 112.7 | S157 R161 | S157-N159 VanDerWaalsContact C-N 3.35Å; N159-R161 PolarHBondContact O-N 3.38Å; N159-R161 VanDerWaalsContact O-N 3.13Å |
| 160 | N | 81.5 | Confident | 86.2 | Confident | 162 Ų | 162 | 79.8 Ų | 79.8 | 87% | 0.866 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 15 | -178.3 | -62.7 | -17.9 | 0 | 0 | 0 | 116.8 | R158 | R158-N160 VanDerWaalsContact C-N 3.27Å; R158-N160 PolarHBondContact O-N 2.94Å |
| 161 | R | 77.8 | Confident | 86.3 | Confident | 146 Ų | 146 | 79.7 Ų | 79.7 | 55% | 0.551 | 43% | 0.426 | S | S | * | . | trans | -85.9 | 131.8 | 174.7 | -60.7 | -177.8 | -178.2 | -152.2 | -5.9 | 111.4 | R158 N159 F165 | R158-R161 WeakPolarHBondContact CD-O 3.18Å; R158-R161 WeakPolarHBondContact CG-O 3.25Å; R158-R161 WeakPolarHBondContact O-CB 3.11Å; R158-R161 PolarHBondContact O-N 2.98Å; N159-R161 PolarHBondContact O-N 3.38Å; N159-R161 VanDerWaalsContact O-N 3.13Å; R161-F165 HydrophobicContact CB-CD1 4.15Å; R161-F165 WeakPolarHBondContact O-CE1 3.34Å | ||
| 162 | T | 81.3 | Confident | 86.3 | Confident | 113 Ų | 113 | 80 Ų | 80 | 69% | 0.693 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -91.9 | -23.8 | 179.9 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 163 | C | 82.9 | Confident | 86.1 | Confident | 36 Ų | 36 | 75 Ų | 75 | 24% | 0.243 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -151.8 | 170.5 | 176.7 | 69.5 | 0 | 0 | 0 | 0 | 111.3 | F165 C203 | C163-F165 PolarHBondContact O-N 3.49Å; C163-C203 HydrophobicContact CB-CB 3.85Å; C163-C203 WeakPolarHBondContact CB-SG 2.97Å; C163-C203 WeakPolarHBondContact SG-CA 3.49Å; C163-C203 WeakPolarHBondContact SG-CB 3.08Å; C163-C203 CovalentContact SG-SG 2.04Å; C163-C203 PolarHBondContact SG-SG 3.13Å |
| 164 | G | 80.4 | Confident | 86 | Confident | 49 Ų | 49 | 74.7 Ų | 74.7 | 51% | 0.505 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 75.5 | 17.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R201 C203 | G164-R201 WeakPolarHBondContact CA-O 3.42Å; G164-R201 PolarHBondContact N-O 3.5Å; G164-C203 PolarHBondContact N-SG 3.32Å; G164-C203 VanDerWaalsContact N-SG 3.42Å |
| 165 | F | 81.8 | Confident | 85.8 | Confident | 13 Ų | 13 | 79.6 Ų | 79.6 | 6% | 0.057 | 41% | 0.414 | C | S | . | . | trans | -108 | 142 | -179.8 | 59.7 | -95.2 | 0 | 0 | 0 | 111.7 | R161 C163 M198 M200 R201 | R161-F165 HydrophobicContact CB-CD1 4.15Å; R161-F165 WeakPolarHBondContact O-CE1 3.34Å; C163-F165 PolarHBondContact O-N 3.49Å; F165-M198 HydrophobicContact CD2-CB 4.19Å; F165-M198 HydrophobicContact CD2-SD 4.08Å; F165-M198 HydrophobicContact CE2-CB 4.3Å; F165-M198 HydrophobicContact CE2-CE 4.45Å; F165-M198 HydrophobicContact CE2-SD 4.23Å; F165-M200 WeakPolarHBondContact O-CA 3.38Å; F165-R201 HydrophobicContact CE1-CB 3.99Å; F165-R201 HydrophobicContact CE1-CG 4.29Å; F165-R201 HydrophobicContact CE2-CB 4.48Å; F165-R201 HydrophobicContact CE2-CG 4.31Å; F165-R201 HydrophobicContact CZ-CB 3.91Å; F165-R201 HydrophobicContact CZ-CG 3.75Å | ||
| 166 | K | 84.1 | Confident | 85.4 | Confident | 120 Ų | 120 | 76.2 Ų | 76.2 | 52% | 0.522 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -122 | -14 | 172.3 | -179.7 | 169.2 | -179.5 | 166 | 0 | 112.1 | M198 | K166-M198 PolarHBondContact O-N 2.9Š|
| 167 | W | 84.6 | Confident | 85 | Confident | 127 Ų | 127 | 79.4 Ų | 79.4 | 48% | 0.481 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 140 | -175.6 | -57.8 | 95.2 | 0 | 0 | 0 | 108.4 | C196 K197 | W167-C196 CarbonylContact C-O 3.45Å; W167-C196 VanDerWaalsContact CA-O 3.26Å; W167-C196 WeakPolarHBondContact CA-O 2.95Å; W167-K197 HydrophobicContact CE3-CB 4.43Å; W167-K197 HydrophobicContact CE3-CG 3.68Å; W167-K197 HydrophobicContact CH2-CD 4.02Å; W167-K197 HydrophobicContact CH2-CG 3.5Å; W167-K197 VanDerWaalsContact CH2-CG 3.5Å; W167-K197 HydrophobicContact CZ2-CG 4.32Å; W167-K197 HydrophobicContact CZ3-CB 4.28Å; W167-K197 HydrophobicContact CZ3-CD 4.07Å; W167-K197 HydrophobicContact CZ3-CG 3.13Å |
| 168 | G | 89 | Confident | 84.4 | Confident | 7 Ų | 7 | 80.7 Ų | 80.7 | 7% | 0.072 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | -171.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S157 R195 C196 | S157-G168 CarbonylContact O-C 3.53Å; S157-G168 WeakPolarHBondContact O-CA 2.9Å; G168-R195 WeakPolarHBondContact O-CA 3.41Å; G168-C196 PolarHBondContact N-O 2.9Å; G168-C196 PolarHBondContact O-N 2.05Å; G168-C196 VanDerWaalsContact O-N 3.12Å; G168-C196 PolarHBondContact O-SG 2.89Å |
| 169 | L | 90.1 | Very high | 83.7 | Confident | 55 Ų | 55 | 83 Ų | 83 | 29% | 0.288 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128.4 | 173 | -158.8 | 79.6 | 0 | 0 | 0 | 108.7 | S157 R194 C196 | S157-L169 WeakPolarHBondContact CB-O 3.4Å; S157-L169 PolarHBondContact N-O 3.31Å; S157-L169 PolarHBondContact O-N 2.9Å; L169-R194 WeakPolarHBondContact CA-O 3.42Å; L169-R194 WeakPolarHBondContact CD1-O 3.44Å; L169-C196 VanDerWaalsContact C-SG 3.56Å |
| 170 | E | 91.8 | Very high | 83.6 | Confident | 26 Ų | 26 | 79.2 Ų | 79.2 | 12% | 0.121 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141.6 | 168.4 | 62.8 | -167.4 | 139.4 | 0 | 0 | 108.1 | W153 G154 S193 R194 C196 | W153-E170 HydrophobicContact CB-CG 4.47Å; W153-E170 WeakPolarHBondContact CB-OE2 3.43Å; W153-E170 HydrophobicContact CD2-CG 4.21Å; W153-E170 HydrophobicContact CE3-CB 4.34Å; W153-E170 HydrophobicContact CE3-CG 3.69Å; W153-E170 HydrophobicContact CZ3-CG 4.31Å; G154-E170 WeakPolarHBondContact O-CB 3.2Å; E170-S193 CarbonylContact O-C 3.56Å; E170-S193 WeakPolarHBondContact O-CA 3.28Å; E170-R194 VanDerWaalsContact CD-NH2 3.33Å; E170-R194 HydrophobicContact CG-CG 3.45Å; E170-R194 VanDerWaalsContact CG-CG 3.45Å; E170-R194 PolarHBondContact N-O 2.95Å; E170-R194 PolarHBondContact O-N 3.12Å; E170-R194 WeakPolarHBondContact OE1-CG 3.5Å; E170-R194 IonicContact OE1-CZ 3.91Å; E170-R194 IonicContact OE1-NE 2.98Å; E170-R194 PolarHBondContact OE1-NE 2.68Å; E170-R194 IonicContact OE1-NH2 3.72Å; E170-R194 PolarHBondContact OE1-NH2 3.2Å; E170-R194 IonicContact OE2-CZ 3.33Å; E170-R194 IonicContact OE2-NE 2.66Å; E170-R194 IonicContact OE2-NH2 3.18Å; E170-R194 PolarHBondContact OE2-NH2 3.01Å; E170-C196 HydrophobicContact CB-CB 4.41Å; E170-C196 HydrophobicContact CG-CB 4.13Å; E170-C196 WeakPolarHBondContact OE1-CB 3.02Å |
| 171 | T | 91.4 | Very high | 82.9 | Confident | 66 Ų | 66 | 76.4 Ų | 76.4 | 41% | 0.405 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.1 | -177.1 | -55.6 | 0 | 0 | 0 | 0 | 108.2 | G154 E192 | G154-T171 WeakPolarHBondContact CA-O 3.03Å; G154-T171 PolarHBondContact N-O 3.03Å; T171-E192 CarbonylContact C-O 3.48Å; T171-E192 VanDerWaalsContact CA-O 3.31Å; T171-E192 WeakPolarHBondContact CA-O 3.29Å; T171-E192 WeakPolarHBondContact CG2-O 3.19Å |
| 172 | R | 90.7 | Very high | 82.4 | Confident | 55 Ų | 55 | 73.5 Ų | 73.5 | 21% | 0.208 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 155.2 | 167.9 | 67.2 | 178.6 | -177.6 | 175.7 | -2.9 | 109.8 | W150 W153 E192 | W150-R172 HydrophobicContact CD2-CG 4.2Å; W150-R172 HydrophobicContact CE3-CB 4.42Å; W150-R172 HydrophobicContact CE3-CG 3.65Å; W150-R172 HydrophobicContact CZ3-CG 4.12Å; W153-R172 HydrophobicContact CD2-CB 4.08Å; W153-R172 HydrophobicContact CD2-CG 4.1Å; W153-R172 VanDerWaalsContact CE2-CD 3.48Å; W153-R172 HydrophobicContact CE3-CB 3.77Å; W153-R172 HydrophobicContact CE3-CG 3.77Å; W153-R172 HydrophobicContact CH2-CG 3.7Å; W153-R172 VanDerWaalsContact CZ2-CD 3.4Å; W153-R172 HydrophobicContact CZ2-CG 4Å; W153-R172 VanDerWaalsContact CZ2-NE 3.26Å; W153-R172 HydrophobicContact CZ3-CB 4.05Å; W153-R172 HydrophobicContact CZ3-CG 3.57Å; R172-E192 HydrophobicContact CG-CB 4.09Å; R172-E192 IonicContact CZ-OE2 2.82Å; R172-E192 PolarHBondContact N-O 2.04Å; R172-E192 IonicContact NE-OE2 3.14Å; R172-E192 PolarHBondContact NE-OE2 2.81Å; R172-E192 IonicContact NH2-OE1 2.66Å; R172-E192 IonicContact NH2-OE2 2.87Å; R172-E192 PolarHBondContact NH2-OE2 2.92Å; R172-E192 PolarHBondContact O-N 3.16Å |
| 173 | T | 90.1 | Very high | 81.5 | Confident | 65 Ų | 65 | 76 Ų | 76 | 40% | 0.399 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 153.6 | -179.5 | 58.8 | 0 | 0 | 0 | 0 | 110.4 | S151 I190 A191 | S151-T173 VanDerWaalsContact CB-O 3.26Å; S151-T173 WeakPolarHBondContact CB-O 3.17Å; S151-T173 PolarHBondContact N-O 3.08Å; S151-T173 PolarHBondContact OG-N 3.33Å; S151-T173 PolarHBondContact OG-O 3.48Å; T173-I190 CarbonylContact C-O 3.56Å; T173-I190 VanDerWaalsContact CA-O 3.27Å; T173-I190 WeakPolarHBondContact CA-O 3.38Å; T173-A191 HydrophobicContact CG2-CB 4.31Å |
| 174 | R | 88.1 | Confident | 80.7 | Confident | 46 Ų | 46 | 79.6 Ų | 79.6 | 17% | 0.174 | 42% | 0.422 | C | S | . | . | trans | -130.5 | 154.3 | 170.4 | 61.6 | -177.2 | 174.3 | 177.8 | -0 | 109 | V147 W150 T189 I190 | V147-R174 HydrophobicContact CB-CG 4.46Å; W150-R174 HydrophobicContact CD2-CB 4.07Å; W150-R174 HydrophobicContact CD2-CG 4.09Å; W150-R174 HydrophobicContact CE3-CB 3.74Å; W150-R174 HydrophobicContact CE3-CG 3.78Å; W150-R174 HydrophobicContact CH2-CG 3.88Å; W150-R174 HydrophobicContact CZ2-CG 4.18Å; W150-R174 VanDerWaalsContact CZ2-NE 3.27Å; W150-R174 HydrophobicContact CZ3-CB 4.11Å; W150-R174 HydrophobicContact CZ3-CG 3.68Å; R174-T189 PolarHBondContact NE-O 3.14Å; R174-T189 PolarHBondContact NH2-O 2.83Å; R174-I190 HydrophobicContact CG-CB 4.42Å; R174-I190 PolarHBondContact N-O 3.5Å; R174-I190 WeakPolarHBondContact O-CB 3.45Å | ||
| 175 | Q | 84.6 | Confident | 80.1 | Confident | 135 Ų | 135 | 78 Ų | 78 | 63% | 0.631 | 40% | 0.401 | S | S | * | . | trans | -96.2 | 153.7 | 178.5 | -59.1 | -58.5 | -50.6 | 0 | 0 | 110.6 | V147 G148 | V147-Q175 WeakPolarHBondContact CA-O 3.23Å; G148-Q175 PolarHBondContact N-O 2.75Å | ||
| 176 | I | 83.2 | Confident | 79.5 | Confident | 66 Ų | 66 | 83 Ų | 83 | 34% | 0.338 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 117.5 | 166.9 | -63.9 | 158.8 | 0 | 0 | 0 | 106.9 | C145 V147 K178 K179 C187 I190 | C145-I176 HydrophobicContact CB-CG2 4.23Å; V147-I176 HydrophobicContact CG1-CG1 4.14Å; I176-K178 VanDerWaalsContact CG2-O 3.29Å; I176-K178 WeakPolarHBondContact CG2-O 3.41Å; I176-K179 HydrophobicContact CG2-CG 4.31Å; I176-C187 HydrophobicContact CD1-CB 3.86Å; I176-C187 HydrophobicContact CG1-CB 4.32Å; I176-I190 HydrophobicContact CD1-CG2 4.15Å; I176-I190 HydrophobicContact CG1-CG2 3.84Å |
| 177 | V | 81.1 | Confident | 78.9 | Confident | 104 Ų | 104 | 79.3 Ų | 79.3 | 63% | 0.63 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -42.2 | 179.6 | 176.7 | 0 | 0 | 0 | 0 | 110 | E146 | E146-V177 PolarHBondContact O-N 3.09Å |
| 178 | K | 75.7 | Confident | 78.5 | Confident | 85 Ų | 85 | 76.1 Ų | 76.1 | 37% | 0.37 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 129.1 | 178.1 | -161.5 | -175.2 | -178.5 | -173.3 | 0 | 110 | E143 C145 E146 I176 | E143-K178 IonicContact OE2-NZ 3.88Å; E143-K178 PolarHBondContact OE2-NZ 2.81Å; C145-K178 VanDerWaalsContact CA-O 3.3Å; C145-K178 WeakPolarHBondContact CA-O 3.4Å; E146-K178 HydrophobicContact CB-CB 3.7Å; E146-K178 HydrophobicContact CG-CB 3.95Å; E146-K178 HydrophobicContact CG-CD 4.22Å; E146-K178 PolarHBondContact N-O 2.84Å; E146-K178 VanDerWaalsContact N-O 3.08Å; E146-K178 PolarHBondContact O-N 3.14Å; E146-K178 VanDerWaalsContact O-N 3.09Å; E146-K178 IonicContact OE1-NZ 3.85Å; I176-K178 VanDerWaalsContact CG2-O 3.29Å; I176-K178 WeakPolarHBondContact CG2-O 3.41Å |
| 179 | K | 70.1 | Confident | 78.1 | Confident | 168 Ų | 168 | 81 Ų | 81 | 73% | 0.73 | 45% | 0.448 | S | S | * | . | trans | -79.3 | 151.8 | 172.9 | -72.7 | -174 | -179.6 | -177.9 | 0 | 110.1 | I176 | I176-K179 HydrophobicContact CG2-CG 4.31Š| ||
| 180 | P | 74.6 | Confident | 77.9 | Confident | 19 Ų | 19 | 82 Ų | 82 | 12% | 0.123 | 45% | 0.453 | C | S | . | . | trans | -70.1 | 158 | 179.2 | 28 | -22.8 | 0 | 0 | 0 | 109.8 | C145 K182 I185 | C145-P180 WeakPolarHBondContact SG-CD 3.47Å; C145-P180 VanDerWaalsContact SG-CG 3.57Å; P180-K182 PolarHBondContact O-N 3.46Å; P180-I185 HydrophobicContact CB-CB 3.87Å; P180-I185 HydrophobicContact CB-CD1 4.12Å; P180-I185 HydrophobicContact CB-CG2 4.06Å; P180-I185 HydrophobicContact CG-CB 3.95Å; P180-I185 HydrophobicContact CG-CG2 4.31Å; P180-I185 WeakPolarHBondContact CG-O 3.24Å | ||
| 181 | A | 68.4 | Low | 77.8 | Confident | 104 Ų | 104 | 83.5 Ų | 83.5 | 86% | 0.86 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -68.5 | -23 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 182 | K | 66.9 | Low | 77.9 | Confident | 84 Ų | 84 | 84 Ų | 84 | 37% | 0.365 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -118.8 | 133.3 | 173.8 | -73.9 | -172.7 | 172.6 | -175.7 | 0 | 109.5 | L135 E137 P180 T184 I185 | L135-K182 HydrophobicContact CD1-CD 4.25Å; L135-K182 HydrophobicContact CD2-CD 4.39Å; E137-K182 IonicContact OE2-NZ 3.57Å; E137-K182 PolarHBondContact OE2-NZ 3.01Å; P180-K182 PolarHBondContact O-N 3.46Å; K182-T184 PolarHBondContact O-N 2.94Å; K182-T184 VanDerWaalsContact O-N 3.12Å; K182-I185 HydrophobicContact CB-CD1 4.09Å; K182-I185 HydrophobicContact CB-CG1 4.46Å; K182-I185 PolarHBondContact O-N 3.08Å |
| 183 | D | 62.9 | Low | 77.9 | Confident | 165 Ų | 165 | 84.8 Ų | 84.8 | 88% | 0.882 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -12.9 | 179.4 | -67.1 | -43.1 | 0 | 0 | 0 | 113.8 | I185 | D183-I185 VanDerWaalsContact C-N 3.26Å; D183-I185 PolarHBondContact O-N 2.85Å |
| 184 | T | 65.8 | Low | 77.9 | Confident | 113 Ų | 113 | 86.9 Ų | 86.9 | 69% | 0.693 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -7.3 | 177.9 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | K182 P186 | K182-T184 PolarHBondContact O-N 2.94Å; K182-T184 VanDerWaalsContact O-N 3.12Å; T184-P186 VanDerWaalsContact O-CD 3.32Å; T184-P186 WeakPolarHBondContact O-CD 3.34Å |
| 185 | I | 68.1 | Low | 78 | Confident | 14 Ų | 14 | 92.7 Ų | 92.7 | 7% | 0.072 | 50% | 0.504 | C | S | . | . | S | Bend | trans | -96.1 | 109.5 | -175.4 | -61.5 | 164.7 | 0 | 0 | 0 | 109.5 | A133 V142 P180 K182 D183 | A133-I185 HydrophobicContact CB-CG2 3.33Å; V142-I185 HydrophobicContact CG2-CD1 3.46Å; V142-I185 VanDerWaalsContact CG2-CD1 3.46Å; P180-I185 HydrophobicContact CB-CB 3.87Å; P180-I185 HydrophobicContact CB-CD1 4.12Å; P180-I185 HydrophobicContact CB-CG2 4.06Å; P180-I185 HydrophobicContact CG-CB 3.95Å; P180-I185 HydrophobicContact CG-CG2 4.31Å; P180-I185 WeakPolarHBondContact CG-O 3.24Å; K182-I185 HydrophobicContact CB-CD1 4.09Å; K182-I185 HydrophobicContact CB-CG1 4.46Å; K182-I185 PolarHBondContact O-N 3.08Å; D183-I185 VanDerWaalsContact C-N 3.26Å; D183-I185 PolarHBondContact O-N 2.85Å |
| 186 | P | 68 | Low | 78.3 | Confident | 118 Ų | 118 | 86.8 Ų | 86.8 | 77% | 0.766 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 133.8 | 179.7 | 28 | -32.9 | 0 | 0 | 0 | 111.3 | T184 | T184-P186 VanDerWaalsContact O-CD 3.32Å; T184-P186 WeakPolarHBondContact O-CD 3.34Å |
| 187 | C | 72.1 | Confident | 78.6 | Confident | 44 Ų | 44 | 91.8 Ų | 91.8 | 30% | 0.297 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 151.4 | 175.8 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | C145 I176 | C145-C187 HydrophobicContact CB-CB 3.6Å; C145-C187 WeakPolarHBondContact CB-SG 3.36Å; C145-C187 WeakPolarHBondContact SG-CA 3.22Å; C145-C187 WeakPolarHBondContact SG-CB 3.39Å; C145-C187 CovalentContact SG-SG 2.02Å; C145-C187 PolarHBondContact SG-SG 3.25Å; I176-C187 HydrophobicContact CD1-CB 3.86Å; I176-C187 HydrophobicContact CG1-CB 4.32Å |
| 188 | P | 76.3 | Confident | 78.8 | Confident | 60 Ų | 60 | 89 Ų | 89 | 39% | 0.39 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -63 | 160.2 | 173.3 | 28 | -34.3 | 0 | 0 | 0 | 111.4 | V147 I190 | V147-P188 HydrophobicContact CG1-CG 3.95Å; V147-P188 HydrophobicContact CG2-CG 4.34Å; P188-I190 PolarHBondContact O-N 3.06Å |
| 189 | T | 80.3 | Confident | 79.2 | Confident | 108 Ų | 108 | 89 Ų | 89 | 66% | 0.663 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 131.3 | -176.7 | 38.3 | 0 | 0 | 0 | 0 | 112.9 | R174 | R174-T189 PolarHBondContact NE-O 3.14Å; R174-T189 PolarHBondContact NH2-O 2.83Å |
| 190 | I | 86.6 | Confident | 79.8 | Confident | 76 Ų | 76 | 85.8 Ų | 85.8 | 39% | 0.39 | 48% | 0.482 | S | S | . | . | trans | -101 | -3.9 | -177.8 | 59.1 | 166.6 | 0 | 0 | 0 | 114 | W150 T173 R174 I176 P188 | W150-I190 WeakPolarHBondContact CZ3-O 3.45Å; T173-I190 CarbonylContact C-O 3.56Å; T173-I190 VanDerWaalsContact CA-O 3.27Å; T173-I190 WeakPolarHBondContact CA-O 3.38Å; R174-I190 HydrophobicContact CG-CB 4.42Å; R174-I190 PolarHBondContact N-O 3.5Å; R174-I190 WeakPolarHBondContact O-CB 3.45Å; I176-I190 HydrophobicContact CD1-CG2 4.15Å; I176-I190 HydrophobicContact CG1-CG2 3.84Å; P188-I190 PolarHBondContact O-N 3.06Å | ||
| 191 | A | 89.8 | Confident | 80.1 | Confident | 58 Ų | 58 | 92 Ų | 92 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 135.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110 | T173 | T173-A191 HydrophobicContact CG2-CB 4.31Å |
| 192 | E | 92.1 | Very high | 80.6 | Confident | 76 Ų | 76 | 93.7 Ų | 93.7 | 36% | 0.355 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 139.3 | 177.3 | -170.9 | -174 | 173.2 | 0 | 0 | 109.4 | W150 W153 T171 R172 | W150-E192 HydrophobicContact CH2-CB 3.79Å; W150-E192 HydrophobicContact CZ2-CB 4.31Å; W150-E192 HydrophobicContact CZ3-CB 4.03Å; W153-E192 HydrophobicContact CH2-CB 4.41Å; W153-E192 HydrophobicContact CH2-CG 4.05Å; T171-E192 CarbonylContact C-O 3.48Å; T171-E192 VanDerWaalsContact CA-O 3.31Å; T171-E192 WeakPolarHBondContact CA-O 3.29Å; T171-E192 WeakPolarHBondContact CG2-O 3.19Å; R172-E192 HydrophobicContact CG-CB 4.09Å; R172-E192 IonicContact CZ-OE2 2.82Å; R172-E192 PolarHBondContact N-O 2.04Å; R172-E192 IonicContact NE-OE2 3.14Å; R172-E192 PolarHBondContact NE-OE2 2.81Å; R172-E192 IonicContact NH2-OE1 2.66Å; R172-E192 IonicContact NH2-OE2 2.87Å; R172-E192 PolarHBondContact NH2-OE2 2.92Å; R172-E192 PolarHBondContact O-N 3.16Å |
| 193 | S | 90.7 | Very high | 81.4 | Confident | 72 Ų | 72 | 92.1 Ų | 92.1 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 137.9 | 178.4 | 65.9 | 0 | 0 | 0 | 0 | 111.4 | E170 | E170-S193 CarbonylContact O-C 3.56Å; E170-S193 WeakPolarHBondContact O-CA 3.28Å |
| 194 | R | 90.8 | Very high | 82.1 | Confident | 109 Ų | 109 | 90.3 Ų | 90.3 | 41% | 0.411 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 163.2 | 176.5 | 76.8 | 175.9 | -173.7 | -165.5 | -6.4 | 112 | W153 L169 E170 | W153-R194 VanDerWaalsContact CD1-CZ 3.48Å; W153-R194 VanDerWaalsContact CD1-NH2 3.25Å; W153-R194 HydrophobicContact CD2-CG 4.33Å; W153-R194 HydrophobicContact CE3-CG 3.96Å; W153-R194 HydrophobicContact CH2-CB 3.96Å; W153-R194 HydrophobicContact CH2-CG 3.63Å; W153-R194 VanDerWaalsContact CZ2-CD 3.47Å; W153-R194 HydrophobicContact CZ2-CG 4.05Å; W153-R194 HydrophobicContact CZ3-CB 4.12Å; W153-R194 HydrophobicContact CZ3-CG 3.59Å; W153-R194 VanDerWaalsContact NE1-CZ 3.27Å; W153-R194 VanDerWaalsContact NE1-NH1 3.11Å; L169-R194 WeakPolarHBondContact CA-O 3.42Å; L169-R194 WeakPolarHBondContact CD1-O 3.44Å; E170-R194 VanDerWaalsContact CD-NH2 3.33Å; E170-R194 HydrophobicContact CG-CG 3.45Å; E170-R194 VanDerWaalsContact CG-CG 3.45Å; E170-R194 PolarHBondContact N-O 2.95Å; E170-R194 PolarHBondContact O-N 3.12Å; E170-R194 WeakPolarHBondContact OE1-CG 3.5Å; E170-R194 IonicContact OE1-CZ 3.91Å; E170-R194 IonicContact OE1-NE 2.98Å; E170-R194 PolarHBondContact OE1-NE 2.68Å; E170-R194 IonicContact OE1-NH2 3.72Å; E170-R194 PolarHBondContact OE1-NH2 3.2Å; E170-R194 IonicContact OE2-CZ 3.33Å; E170-R194 IonicContact OE2-NE 2.66Å; E170-R194 IonicContact OE2-NH2 3.18Å; E170-R194 PolarHBondContact OE2-NH2 3.01Å |
| 195 | R | 90.6 | Very high | 82.4 | Confident | 168 Ų | 168 | 88.9 Ų | 88.9 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 127.5 | 177.6 | -71.5 | -175.5 | 179.1 | 170.9 | 4.9 | 111.2 | G168 | G168-R195 WeakPolarHBondContact O-CA 3.41Å |
| 196 | C | 90 | Very high | 82.1 | Confident | 11 Ų | 11 | 91 Ų | 91 | 7% | 0.074 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 146 | 174.5 | 42 | 0 | 0 | 0 | 0 | 111.1 | C156 W167 G168 L169 E170 | C156-C196 WeakPolarHBondContact CA-SG 3.35Å; C156-C196 HydrophobicContact CB-CB 3.73Å; C156-C196 WeakPolarHBondContact CB-SG 3.49Å; C156-C196 WeakPolarHBondContact SG-CB 3.47Å; C156-C196 CovalentContact SG-SG 1.99Å; C156-C196 PolarHBondContact SG-SG 3.01Å; W167-C196 CarbonylContact C-O 3.45Å; W167-C196 VanDerWaalsContact CA-O 3.26Å; W167-C196 WeakPolarHBondContact CA-O 2.95Å; G168-C196 PolarHBondContact N-O 2.9Å; G168-C196 PolarHBondContact O-N 2.05Å; G168-C196 VanDerWaalsContact O-N 3.12Å; G168-C196 PolarHBondContact O-SG 2.89Å; L169-C196 VanDerWaalsContact C-SG 3.56Å; E170-C196 HydrophobicContact CB-CB 4.41Å; E170-C196 HydrophobicContact CG-CB 4.13Å; E170-C196 WeakPolarHBondContact OE1-CB 3.02Å |
| 197 | K | 89.3 | Confident | 81.9 | Confident | 171 Ų | 171 | 94.9 Ų | 94.9 | 74% | 0.743 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 137.6 | 173.1 | -73.5 | 177.2 | -176.1 | 166.7 | 0 | 109.3 | W167 | W167-K197 HydrophobicContact CE3-CB 4.43Å; W167-K197 HydrophobicContact CE3-CG 3.68Å; W167-K197 HydrophobicContact CH2-CD 4.02Å; W167-K197 HydrophobicContact CH2-CG 3.5Å; W167-K197 VanDerWaalsContact CH2-CG 3.5Å; W167-K197 HydrophobicContact CZ2-CG 4.32Å; W167-K197 HydrophobicContact CZ3-CB 4.28Å; W167-K197 HydrophobicContact CZ3-CD 4.07Å; W167-K197 HydrophobicContact CZ3-CG 3.13Å |
| 198 | M | 86.6 | Confident | 81.3 | Confident | 45 Ų | 45 | 104.6 Ų | 104.6 | 22% | 0.222 | 56% | 0.558 | C | S | . | * | trans | -125 | 159 | 176.6 | -60.5 | -171.8 | 88.6 | 0 | 0 | 111.4 | C156 R158 F165 K166 M200 | C156-M198 HydrophobicContact CB-CE 4.25Å; C156-M198 HydrophobicContact CB-CG 4.34Å; C156-M198 WeakPolarHBondContact O-CE 3.43Å; C156-M198 WeakPolarHBondContact SG-CG 3.48Å; R158-M198 HydrophobicContact CB-CE 4.34Å; R158-M198 HydrophobicContact CB-SD 4.3Å; F165-M198 HydrophobicContact CD2-CB 4.19Å; F165-M198 HydrophobicContact CD2-SD 4.08Å; F165-M198 HydrophobicContact CE2-CB 4.3Å; F165-M198 HydrophobicContact CE2-CE 4.45Å; F165-M198 HydrophobicContact CE2-SD 4.23Å; K166-M198 PolarHBondContact O-N 2.9Å; M198-M200 PolarHBondContact O-N 3.34Å | ||
| 199 | A | 84.3 | Confident | 80.6 | Confident | 85 Ų | 85 | 105.7 Ų | 105.7 | 70% | 0.702 | 56% | 0.564 | S | S | * | * | trans | -58.6 | 123.1 | 168 | 0 | 0 | 0 | 0 | 0 | 109.6 | R201 | A199-R201 PolarHBondContact O-N 3.05Å; A199-R201 VanDerWaalsContact O-N 3.16Å | ||
| 200 | M | 81.1 | Confident | 80 | Confident | 102 Ų | 102 | 104.9 Ų | 104.9 | 50% | 0.502 | 56% | 0.56 | S | S | . | * | trans | -70.6 | 111.9 | -175.4 | -175.1 | 172.5 | -178.5 | 0 | 0 | 110.2 | F165 M198 H202 | F165-M200 WeakPolarHBondContact O-CA 3.38Å; M198-M200 PolarHBondContact O-N 3.34Å; M200-H202 WeakPolarHBondContact CE-NE2 3.06Å | ||
| 201 | R | 81.5 | Confident | 78.9 | Confident | 148 Ų | 148 | 109.8 Ų | 109.8 | 56% | 0.558 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 120.4 | 170.5 | -70.4 | -159.7 | 175.4 | -160.1 | -3.2 | 109.9 | G164 F165 A199 | G164-R201 WeakPolarHBondContact CA-O 3.42Å; G164-R201 PolarHBondContact N-O 3.5Å; F165-R201 HydrophobicContact CE1-CB 3.99Å; F165-R201 HydrophobicContact CE1-CG 4.29Å; F165-R201 HydrophobicContact CE2-CB 4.48Å; F165-R201 HydrophobicContact CE2-CG 4.31Å; F165-R201 HydrophobicContact CZ-CB 3.91Å; F165-R201 HydrophobicContact CZ-CG 3.75Å; A199-R201 PolarHBondContact O-N 3.05Å; A199-R201 VanDerWaalsContact O-N 3.16Å |
| 202 | H | 79.8 | Confident | 77.8 | Confident | 140 Ų | 140 | 110.7 Ų | 110.7 | 65% | 0.648 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 143 | 173.7 | -65.1 | 78.5 | 0 | 0 | 0 | 109.3 | M200 | M200-H202 WeakPolarHBondContact CE-NE2 3.06Š|
| 203 | C | 81.9 | Confident | 76.5 | Confident | 52 Ų | 52 | 113.3 Ų | 113.3 | 35% | 0.351 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -76.5 | 136.8 | 174.5 | -64.8 | 0 | 0 | 0 | 0 | 110 | C163 G164 G205 G206 | C163-C203 HydrophobicContact CB-CB 3.85Å; C163-C203 WeakPolarHBondContact CB-SG 2.97Å; C163-C203 WeakPolarHBondContact SG-CA 3.49Å; C163-C203 WeakPolarHBondContact SG-CB 3.08Å; C163-C203 CovalentContact SG-SG 2.04Å; C163-C203 PolarHBondContact SG-SG 3.13Å; G164-C203 PolarHBondContact N-SG 3.32Å; G164-C203 VanDerWaalsContact N-SG 3.42Å; C203-G205 PolarHBondContact O-N 3.25Å; C203-G206 PolarHBondContact O-N 2.91Å |
| 204 | P | 79.3 | Confident | 75.5 | Confident | 127 Ų | 127 | 115.1 Ų | 115.1 | 83% | 0.825 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | 128.7 | 169.2 | -19.2 | 31.2 | 0 | 0 | 0 | 109.4 | ||
| 205 | G | 72.1 | Confident | 74.7 | Confident | 83 Ų | 83 | 117.7 Ų | 117.7 | 86% | 0.856 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.4 | 5.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | C203 K207 | C203-G205 PolarHBondContact O-N 3.25Å; G205-K207 PolarHBondContact O-N 3.27Å; G205-K207 VanDerWaalsContact O-N 3.09Å |
| 206 | G | 61.8 | Low | 73.9 | Confident | 59 Ų | 59 | 119.1 Ų | 119.1 | 61% | 0.608 | 62% | 0.616 | S | S | * | * | trans | -70.6 | 101.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | C203 R208 | C203-G206 PolarHBondContact O-N 2.91Å; G206-R208 PolarHBondContact O-N 3.31Å | ||
| 207 | K | 62.6 | Low | 73.2 | Confident | 199 Ų | 199 | 123.1 Ų | 123.1 | 87% | 0.865 | 64% | 0.637 | S | S | * | * | trans | -59.4 | 124.6 | 168.6 | -66.6 | -174.9 | -178.2 | -179 | 0 | 109.4 | G205 T209 | G205-K207 PolarHBondContact O-N 3.27Å; G205-K207 VanDerWaalsContact O-N 3.09Å; K207-T209 PolarHBondContact O-N 2.81Å | ||
| 208 | R | 59.1 | Low | 72.8 | Confident | 248 Ų | 248 | 122.5 Ų | 122.5 | 94% | 0.936 | 63% | 0.634 | S | S | * | * | trans | -58.9 | 106.9 | 175.5 | -76.1 | -177.7 | 172.3 | 174.3 | -0.8 | 109.1 | G206 | G206-R208 PolarHBondContact O-N 3.31Š| ||
| 209 | T | 61.8 | Low | 72.6 | Confident | 83 Ų | 83 | 127.3 Ų | 127.3 | 51% | 0.509 | 65% | 0.654 | S | S | . | * | trans | -66.7 | 140.9 | 171.3 | 50.5 | 0 | 0 | 0 | 0 | 109.6 | K207 K211 | K207-T209 PolarHBondContact O-N 2.81Å; T209-K211 PolarHBondContact O-N 3.47Å | ||
| 210 | P | 69.2 | Low | 72.6 | Confident | 91 Ų | 91 | 130.7 Ų | 130.7 | 59% | 0.591 | 65% | 0.653 | S | S | * | * | trans | -53.7 | 134.1 | 179.3 | -24.5 | 31.7 | 0 | 0 | 0 | 111.5 | A212 K213 E214 | P210-A212 PolarHBondContact O-N 2.03Å; P210-K213 WeakPolarHBondContact O-CB 2.96Å; P210-K213 PolarHBondContact O-N 2.76Å; P210-E214 PolarHBondContact O-N 3.28Å | ||
| 211 | K | 62.1 | Low | 72.7 | Confident | 179 Ų | 179 | 132.2 Ų | 132.2 | 78% | 0.778 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -50.1 | -29.8 | -176.9 | -77 | -175.5 | 176 | 174.6 | 0 | 113.6 | T209 K215 | T209-K211 PolarHBondContact O-N 3.47Å; K211-K215 WeakPolarHBondContact O-CG 3.32Å; K211-K215 PolarHBondContact O-N 2.87Å; K211-K215 VanDerWaalsContact O-N 3.1Å |
| 212 | A | 66.3 | Low | 72.9 | Confident | 76 Ų | 76 | 133.2 Ų | 133.2 | 63% | 0.628 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.4 | -42 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P210 K215 R216 | P210-A212 PolarHBondContact O-N 2.03Å; A212-K215 PolarHBondContact O-N 3.01Å; A212-R216 PolarHBondContact O-N 2.84Å; A212-R216 VanDerWaalsContact O-N 3.1Å |
| 213 | K | 66 | Low | 73.2 | Confident | 131 Ų | 131 | 132.6 Ų | 132.6 | 57% | 0.57 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.5 | -37.2 | 179.3 | -159.1 | 172.7 | -175.3 | 175.3 | 0 | 110.9 | P210 R216 N217 | P210-K213 WeakPolarHBondContact O-CB 2.96Å; P210-K213 PolarHBondContact O-N 2.76Å; K213-R216 PolarHBondContact O-N 3.3Å; K213-N217 WeakPolarHBondContact O-CB 3.36Å; K213-N217 PolarHBondContact O-N 3.17Å |
| 214 | E | 70.5 | Confident | 73.4 | Confident | 111 Ų | 111 | 136.1 Ų | 136.1 | 52% | 0.519 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -66.4 | -45.2 | 175 | -166 | -176 | 168.9 | 0 | 0 | 112.3 | P210 R216 N217 K218 | P210-E214 PolarHBondContact O-N 3.28Å; E214-R216 VanDerWaalsContact C-N 3.33Å; E214-R216 PolarHBondContact O-N 3.21Å; E214-N217 PolarHBondContact O-N 3.48Å; E214-K218 WeakPolarHBondContact O-CB 3.27Å; E214-K218 PolarHBondContact O-N 2.83Å |
| 215 | K | 72.1 | Confident | 73.4 | Confident | 163 Ų | 163 | 132.8 Ų | 132.8 | 71% | 0.709 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -58.9 | -42.6 | 174.2 | -80.8 | -175.2 | 177.8 | -178.1 | 0 | 111.9 | K211 A212 K218 K219 | K211-K215 WeakPolarHBondContact O-CG 3.32Å; K211-K215 PolarHBondContact O-N 2.87Å; K211-K215 VanDerWaalsContact O-N 3.1Å; A212-K215 PolarHBondContact O-N 3.01Å; K215-K218 PolarHBondContact O-N 2.93Å; K215-K219 PolarHBondContact O-N 3.49Å |
| 216 | R | 75.3 | Confident | 74 | Confident | 197 Ų | 197 | 132.6 Ų | 132.6 | 74% | 0.743 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.7 | -45.3 | 177.9 | -161.8 | 172.8 | 101.5 | 174 | 6.8 | 111.7 | A212 K213 E214 K219 K220 | A212-R216 PolarHBondContact O-N 2.84Å; A212-R216 VanDerWaalsContact O-N 3.1Å; K213-R216 PolarHBondContact O-N 3.3Å; E214-R216 VanDerWaalsContact C-N 3.33Å; E214-R216 PolarHBondContact O-N 3.21Å; R216-K219 PolarHBondContact O-N 2.83Å; R216-K220 WeakPolarHBondContact O-CB 3.48Å; R216-K220 PolarHBondContact O-N 2.85Å |
| 217 | N | 74.9 | Confident | 74.9 | Confident | 95 Ų | 95 | 138.1 Ų | 138.1 | 51% | 0.508 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.3 | -39.3 | 177 | -77.9 | -5.3 | 0 | 0 | 0 | 112.4 | K213 E214 K220 K221 | K213-N217 WeakPolarHBondContact O-CB 3.36Å; K213-N217 PolarHBondContact O-N 3.17Å; E214-N217 PolarHBondContact O-N 3.48Å; N217-K220 PolarHBondContact O-N 3.34Å; N217-K221 WeakPolarHBondContact O-CB 3.43Å; N217-K221 PolarHBondContact O-N 3.49Å |
| 218 | K | 80.4 | Confident | 75.6 | Confident | 158 Ų | 158 | 131.1 Ų | 131.1 | 69% | 0.687 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.9 | -41.7 | 175.9 | -168.2 | 177.5 | -178.7 | -177.4 | 0 | 112.1 | E214 K215 K221 R222 | E214-K218 WeakPolarHBondContact O-CB 3.27Å; E214-K218 PolarHBondContact O-N 2.83Å; K215-K218 PolarHBondContact O-N 2.93Å; K218-K221 PolarHBondContact O-N 3.43Å; K218-R222 WeakPolarHBondContact O-CB 3.33Å; K218-R222 PolarHBondContact O-N 2.82Å |
| 219 | K | 82.6 | Confident | 76.4 | Confident | 146 Ų | 146 | 125.5 Ų | 125.5 | 64% | 0.635 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.8 | -42.6 | 174.5 | -169.4 | 174.3 | -176.8 | 176.7 | 0 | 111.4 | K215 R216 R222 K223 | K215-K219 PolarHBondContact O-N 3.49Å; R216-K219 PolarHBondContact O-N 2.83Å; K219-R222 PolarHBondContact O-N 2.82Å; K219-K223 PolarHBondContact O-N 2.91Å; K219-K223 VanDerWaalsContact O-N 3.09Å |
| 220 | K | 84.1 | Confident | 77.2 | Confident | 156 Ų | 156 | 127.4 Ų | 127.4 | 68% | 0.678 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.8 | -43 | 177.5 | -155.2 | 178 | -175.1 | -174.8 | 0 | 111.8 | R216 N217 K223 L224 | R216-K220 WeakPolarHBondContact O-CB 3.48Å; R216-K220 PolarHBondContact O-N 2.85Å; N217-K220 PolarHBondContact O-N 3.34Å; K220-K223 PolarHBondContact O-N 2.79Å; K220-L224 PolarHBondContact O-N 2.94Å |
| 221 | K | 84.4 | Confident | 77.6 | Confident | 134 Ų | 134 | 129.7 Ų | 129.7 | 58% | 0.583 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65 | -39.6 | 176.5 | -172.8 | 173.9 | -178.9 | 176.1 | 0 | 112.6 | N217 K218 L224 I225 | N217-K221 WeakPolarHBondContact O-CB 3.43Å; N217-K221 PolarHBondContact O-N 3.49Å; K218-K221 PolarHBondContact O-N 3.43Å; K221-L224 PolarHBondContact O-N 3.5Å; K221-I225 HydrophobicContact CG-CD1 4.21Å; K221-I225 WeakPolarHBondContact O-CG1 3.4Å; K221-I225 PolarHBondContact O-N 2.95Å; K221-I225 VanDerWaalsContact O-N 3.09Å |
| 222 | R | 84.9 | Confident | 78.1 | Confident | 169 Ų | 169 | 126.7 Ų | 126.7 | 64% | 0.638 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.1 | -45.8 | 176.2 | -173.4 | 178.3 | 136.1 | -169.5 | -6.1 | 111.7 | K218 K219 L224 I225 E226 | K218-R222 WeakPolarHBondContact O-CB 3.33Å; K218-R222 PolarHBondContact O-N 2.82Å; K219-R222 PolarHBondContact O-N 2.82Å; R222-L224 VanDerWaalsContact C-N 3.25Å; R222-L224 PolarHBondContact O-N 3.02Å; R222-I225 PolarHBondContact O-N 2.89Å; R222-I225 VanDerWaalsContact O-N 3.17Å; R222-E226 IonicContact CZ-OE1 3.69Å; R222-E226 IonicContact NE-OE1 3.07Å; R222-E226 PolarHBondContact NE-OE1 3.44Å; R222-E226 VanDerWaalsContact NE-OE1 3.07Å; R222-E226 IonicContact NH2-OE1 3.37Å; R222-E226 PolarHBondContact NH2-OE1 3.34Å; R222-E226 PolarHBondContact O-N 2.04Å |
| 223 | K | 85.3 | Confident | 78.3 | Confident | 128 Ų | 128 | 126.2 Ų | 126.2 | 56% | 0.557 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.8 | -34.6 | 174 | -78.3 | -168.4 | 172 | -162.8 | 0 | 113.2 | K219 K220 R227 | K219-K223 PolarHBondContact O-N 2.91Å; K219-K223 VanDerWaalsContact O-N 3.09Å; K220-K223 PolarHBondContact O-N 2.79Å; K223-R227 PolarHBondContact O-N 2.79Å |
| 224 | L | 85.9 | Confident | 78.6 | Confident | 125 Ų | 125 | 124.2 Ų | 124.2 | 65% | 0.654 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.7 | -39.3 | 177.3 | -145.6 | 93.3 | 0 | 0 | 0 | 111.8 | K220 K221 R222 A228 | K220-L224 PolarHBondContact O-N 2.94Å; K221-L224 PolarHBondContact O-N 3.5Å; R222-L224 VanDerWaalsContact C-N 3.25Å; R222-L224 PolarHBondContact O-N 3.02Å; L224-A228 WeakPolarHBondContact O-CB 3Å; L224-A228 PolarHBondContact O-N 3.18Å |
| 225 | I | 80.8 | Confident | 78.7 | Confident | 58 Ų | 58 | 124.6 Ų | 124.6 | 30% | 0.297 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.6 | -43.1 | 176.8 | -66 | 166.5 | 0 | 0 | 0 | 110.6 | K221 R222 R227 A228 Q229 | K221-I225 HydrophobicContact CG-CD1 4.21Å; K221-I225 WeakPolarHBondContact O-CG1 3.4Å; K221-I225 PolarHBondContact O-N 2.95Å; K221-I225 VanDerWaalsContact O-N 3.09Å; R222-I225 PolarHBondContact O-N 2.89Å; R222-I225 VanDerWaalsContact O-N 3.17Å; I225-R227 PolarHBondContact O-N 3.47Å; I225-A228 PolarHBondContact O-N 3.27Å; I225-Q229 WeakPolarHBondContact O-CG 3.36Å; I225-Q229 PolarHBondContact O-N 2.82Å |
| 226 | E | 83.2 | Confident | 78.2 | Confident | 78 Ų | 78 | 120.9 Ų | 120.9 | 36% | 0.364 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -57.5 | -47.3 | 174.1 | -83.6 | 162.9 | -175.7 | 0 | 0 | 110.7 | R222 A228 Q229 E230 | R222-E226 IonicContact CZ-OE1 3.69Å; R222-E226 IonicContact NE-OE1 3.07Å; R222-E226 PolarHBondContact NE-OE1 3.44Å; R222-E226 VanDerWaalsContact NE-OE1 3.07Å; R222-E226 IonicContact NH2-OE1 3.37Å; R222-E226 PolarHBondContact NH2-OE1 3.34Å; R222-E226 PolarHBondContact O-N 2.04Å; E226-A228 PolarHBondContact O-N 2.02Å; E226-Q229 PolarHBondContact O-N 2.02Å; E226-E230 PolarHBondContact O-N 3.08Å |
| 227 | R | 82.4 | Confident | 77.3 | Confident | 176 Ų | 176 | 114.4 Ų | 114.4 | 66% | 0.664 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62 | -39.9 | 175.4 | -83.7 | -175.4 | 176.6 | -176.9 | -3.6 | 113.8 | K223 I225 Q229 E230 Q231 | K223-R227 PolarHBondContact O-N 2.79Å; I225-R227 PolarHBondContact O-N 3.47Å; R227-Q229 VanDerWaalsContact C-N 3.34Å; R227-E230 PolarHBondContact O-N 2.8Å; R227-Q231 WeakPolarHBondContact O-CB 3.06Å; R227-Q231 VanDerWaalsContact O-CG 3.28Å; R227-Q231 WeakPolarHBondContact O-CG 3.47Å; R227-Q231 PolarHBondContact O-N 2.86Å |
| 228 | A | 75.9 | Confident | 76.6 | Confident | 52 Ų | 52 | 113 Ų | 113 | 43% | 0.43 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68 | -35.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L224 I225 E226 H232 | L224-A228 WeakPolarHBondContact O-CB 3Å; L224-A228 PolarHBondContact O-N 3.18Å; I225-A228 PolarHBondContact O-N 3.27Å; E226-A228 PolarHBondContact O-N 2.02Å; A228-H232 WeakPolarHBondContact O-CB 3.29Å; A228-H232 PolarHBondContact O-N 3.38Å |
| 229 | Q | 77.4 | Confident | 75.1 | Confident | 130 Ų | 130 | 109.1 Ų | 109.1 | 61% | 0.607 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.3 | -41.8 | 173.2 | -76 | -178.5 | -63.4 | 0 | 0 | 111.8 | I225 E226 R227 H232 S233 | I225-Q229 WeakPolarHBondContact O-CG 3.36Å; I225-Q229 PolarHBondContact O-N 2.82Å; E226-Q229 PolarHBondContact O-N 2.02Å; R227-Q229 VanDerWaalsContact C-N 3.34Å; Q229-H232 PolarHBondContact O-N 3.08Å; Q229-S233 PolarHBondContact O-N 3.22Å; Q229-S233 PolarHBondContact O-OG 2.81Å |
| 230 | E | 77.4 | Confident | 73.5 | Confident | 122 Ų | 122 | 112.5 Ų | 112.5 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60 | -48.3 | 173.1 | -81 | 173.6 | 167.9 | 0 | 0 | 111.1 | E226 R227 H232 S233 V234 | E226-E230 PolarHBondContact O-N 3.08Å; R227-E230 PolarHBondContact O-N 2.8Å; E230-H232 VanDerWaalsContact C-N 3.31Å; E230-H232 PolarHBondContact O-N 3.36Å; E230-S233 VanDerWaalsContact CA-OG 3.31Å; E230-S233 WeakPolarHBondContact CA-OG 3.46Å; E230-S233 PolarHBondContact O-N 3.27Å; E230-S233 VanDerWaalsContact O-N 3.15Å; E230-S233 PolarHBondContact O-OG 3.44Å; E230-V234 VanDerWaalsContact O-CG2 3.31Å; E230-V234 WeakPolarHBondContact O-CG2 3.28Å; E230-V234 PolarHBondContact O-N 3.49Å |
| 231 | Q | 77.3 | Confident | 71.5 | Confident | 140 Ų | 140 | 108.7 Ų | 108.7 | 65% | 0.654 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.2 | -40.1 | 176.8 | -75.2 | 177 | -31.3 | 0 | 0 | 112.5 | R227 V234 F235 | R227-Q231 WeakPolarHBondContact O-CB 3.06Å; R227-Q231 VanDerWaalsContact O-CG 3.28Å; R227-Q231 WeakPolarHBondContact O-CG 3.47Å; R227-Q231 PolarHBondContact O-N 2.86Å; Q231-V234 PolarHBondContact O-N 2.83Å; Q231-F235 WeakPolarHBondContact O-CB 3.42Å; Q231-F235 PolarHBondContact O-N 2.99Å |
| 232 | H | 74 | Confident | 69.6 | Low | 116 Ų | 116 | 109 Ų | 109 | 54% | 0.537 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 175.2 | -173.8 | -115.1 | 0 | 0 | 0 | 111.9 | A228 Q229 E230 F235 L236 | A228-H232 WeakPolarHBondContact O-CB 3.29Å; A228-H232 PolarHBondContact O-N 3.38Å; Q229-H232 PolarHBondContact O-N 3.08Å; E230-H232 VanDerWaalsContact C-N 3.31Å; E230-H232 PolarHBondContact O-N 3.36Å; H232-F235 PolarHBondContact O-N 2.76Å; H232-L236 WeakPolarHBondContact O-CB 3.43Å; H232-L236 VanDerWaalsContact O-CG 3.3Å; H232-L236 WeakPolarHBondContact O-CG 3.41Å; H232-L236 PolarHBondContact O-N 2.03Å |
| 233 | S | 68.9 | Low | 67.4 | Low | 66 Ų | 66 | 111.5 Ų | 111.5 | 46% | 0.462 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.8 | -36.8 | 174.7 | 59.9 | 0 | 0 | 0 | 0 | 112.9 | Q229 E230 A237 | Q229-S233 PolarHBondContact O-N 3.22Å; Q229-S233 PolarHBondContact O-OG 2.81Å; E230-S233 VanDerWaalsContact CA-OG 3.31Å; E230-S233 WeakPolarHBondContact CA-OG 3.46Å; E230-S233 PolarHBondContact O-N 3.27Å; E230-S233 VanDerWaalsContact O-N 3.15Å; E230-S233 PolarHBondContact O-OG 3.44Å; S233-A237 WeakPolarHBondContact O-CB 2.97Å; S233-A237 PolarHBondContact O-N 2.77Å |
| 234 | V | 73.3 | Confident | 66.5 | Low | 89 Ų | 89 | 110.7 Ų | 110.7 | 54% | 0.539 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68 | -42.8 | 174.8 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | E230 Q231 L236 A237 T238 | E230-V234 VanDerWaalsContact O-CG2 3.31Å; E230-V234 WeakPolarHBondContact O-CG2 3.28Å; E230-V234 PolarHBondContact O-N 3.49Å; Q231-V234 PolarHBondContact O-N 2.83Å; V234-L236 PolarHBondContact O-N 2.89Å; V234-A237 CarbonylContact O-C 3.59Å; V234-A237 WeakPolarHBondContact O-CB 3.25Å; V234-A237 PolarHBondContact O-N 2.94Å; V234-A237 VanDerWaalsContact O-N 3.14Å; V234-T238 HydrophobicContact CG1-CG2 4.48Å; V234-T238 PolarHBondContact O-N 2.8Å; V234-T238 PolarHBondContact O-OG1 3.01Å; V234-T238 VanDerWaalsContact O-OG1 3.05Å |
| 235 | F | 71.3 | Confident | 65.5 | Low | 119 Ų | 119 | 109.9 Ų | 109.9 | 52% | 0.522 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59 | -47.9 | 175.4 | -179.8 | -98.2 | 0 | 0 | 0 | 112 | Q231 H232 A237 T238 D239 | Q231-F235 WeakPolarHBondContact O-CB 3.42Å; Q231-F235 PolarHBondContact O-N 2.99Å; H232-F235 PolarHBondContact O-N 2.76Å; F235-A237 VanDerWaalsContact C-N 3.26Å; F235-A237 PolarHBondContact O-N 3.45Å; F235-T238 WeakPolarHBondContact CA-OG1 3.47Å; F235-T238 PolarHBondContact O-N 3.1Å; F235-T238 PolarHBondContact O-OG1 2.76Å; F235-D239 WeakPolarHBondContact CE1-OD2 3.39Å; F235-D239 PolarHBondContact O-N 2.84Å |
| 236 | L | 63.1 | Low | 64.6 | Low | 85 Ų | 85 | 112.8 Ų | 112.8 | 45% | 0.445 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.6 | -30.4 | 175.3 | -69.7 | 173.6 | 0 | 0 | 0 | 113 | H232 V234 R240 | H232-L236 WeakPolarHBondContact O-CB 3.43Å; H232-L236 VanDerWaalsContact O-CG 3.3Å; H232-L236 WeakPolarHBondContact O-CG 3.41Å; H232-L236 PolarHBondContact O-N 2.03Å; V234-L236 PolarHBondContact O-N 2.89Å; L236-R240 PolarHBondContact O-N 3.02Å |
| 237 | A | 56.8 | Low | 63.5 | Low | 60 Ų | 60 | 114.9 Ų | 114.9 | 50% | 0.496 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -75.4 | -34.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S233 V234 F235 A241 | S233-A237 WeakPolarHBondContact O-CB 2.97Å; S233-A237 PolarHBondContact O-N 2.77Å; V234-A237 CarbonylContact O-C 3.59Å; V234-A237 WeakPolarHBondContact O-CB 3.25Å; V234-A237 PolarHBondContact O-N 2.94Å; V234-A237 VanDerWaalsContact O-N 3.14Å; F235-A237 VanDerWaalsContact C-N 3.26Å; F235-A237 PolarHBondContact O-N 3.45Å; A237-A241 PolarHBondContact O-N 3.41Å |
| 238 | T | 58.4 | Low | 62.4 | Low | 66 Ų | 66 | 111.1 Ų | 111.1 | 41% | 0.405 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -76.7 | -33.3 | 176.2 | 47.3 | 0 | 0 | 0 | 0 | 113.2 | V234 F235 R240 A241 N242 | V234-T238 HydrophobicContact CG1-CG2 4.48Å; V234-T238 PolarHBondContact O-N 2.8Å; V234-T238 PolarHBondContact O-OG1 3.01Å; V234-T238 VanDerWaalsContact O-OG1 3.05Å; F235-T238 WeakPolarHBondContact CA-OG1 3.47Å; F235-T238 PolarHBondContact O-N 3.1Å; F235-T238 PolarHBondContact O-OG1 2.76Å; T238-R240 VanDerWaalsContact C-N 3.27Å; T238-R240 PolarHBondContact O-N 3.19Å; T238-A241 PolarHBondContact O-N 2.96Å; T238-A241 VanDerWaalsContact O-N 3.11Å; T238-N242 PolarHBondContact O-N 3.13Å; T238-N242 PolarHBondContact O-ND2 3.31Å |
| 239 | D | 49 | Very low | 61.5 | Low | 76 Ų | 76 | 115 Ų | 115 | 41% | 0.406 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.2 | -33 | 173 | -112.3 | -9.9 | 0 | 0 | 0 | 111.4 | F235 A241 | F235-D239 WeakPolarHBondContact CE1-OD2 3.39Å; F235-D239 PolarHBondContact O-N 2.84Å; D239-A241 VanDerWaalsContact C-N 3.27Å; D239-A241 PolarHBondContact O-N 3.12Å |
| 240 | R | 49 | Very low | 60.3 | Low | 217 Ų | 217 | 113.9 Ų | 113.9 | 82% | 0.819 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -15.3 | 171.1 | -85.9 | -179.3 | 172.4 | 168.6 | -4.7 | 114.8 | L236 T238 | L236-R240 PolarHBondContact O-N 3.02Å; T238-R240 VanDerWaalsContact C-N 3.27Å; T238-R240 PolarHBondContact O-N 3.19Å |
| 241 | A | 43.5 | Very low | 59 | Low | 76 Ų | 76 | 113.3 Ų | 113.3 | 63% | 0.628 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -10.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | A237 T238 D239 | A237-A241 PolarHBondContact O-N 3.41Å; T238-A241 PolarHBondContact O-N 2.96Å; T238-A241 VanDerWaalsContact O-N 3.11Å; D239-A241 VanDerWaalsContact C-N 3.27Å; D239-A241 PolarHBondContact O-N 3.12Å |
| 242 | N | 43 | Very low | 57.5 | Low | 140 Ų | 140 | 111.1 Ų | 111.1 | 75% | 0.749 | 59% | 0.587 | S | S | * | * | trans | -112.6 | 6.2 | -177.4 | -73.9 | -30.8 | 0 | 0 | 0 | 113.6 | T238 | T238-N242 PolarHBondContact O-N 3.13Å; T238-N242 PolarHBondContact O-ND2 3.31Å | ||
| 243 | Q | 39.3 | Very low | 56 | Low | 223 Ų | 223 | 110.6 Ų | 110.6 | 100% | 1.042 | 59% | 0.592 | S | S | * | * | trans | -112.7 | 0 | 166 | -77.5 | 178.6 | 8.5 | 0 | 0 | 108.9 |
Retrieved 243 of 243 residues in 367.4 ms
(Link to these results)