| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.5 | Very low | 46.9 | Very low | 225 Ų | 225 | 157.2 Ų | 157.2 | 100% | 1.108 | 83% | 0.834 | S | S | * | * | 0 | 116.3 | 0 | -71.5 | 127.6 | 75.8 | 0 | 0 | 106.9 | |||||
| 2 | N | 40.3 | Very low | 47.1 | Very low | 155 Ų | 155 | 155.4 Ų | 155.4 | 83% | 0.829 | 82% | 0.824 | S | S | * | * | cis | -156.3 | 134.8 | 14.1 | -69.7 | -39.7 | 0 | 0 | 0 | 106.8 | ||||
| 3 | G | 41.2 | Very low | 47.3 | Very low | 67 Ų | 67 | 152 Ų | 152 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | trans | -104.1 | 139.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4 | M | 52.7 | Low | 47.6 | Very low | 182 Ų | 182 | 155.6 Ų | 155.6 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | 56.9 | 119.3 | 146.8 | -44.9 | -107.1 | -156.5 | 0 | 0 | 117.4 | ||||
| 5 | I | 53.4 | Low | 47.3 | Very low | 172 Ų | 172 | 157.3 Ų | 157.3 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | -161.2 | 118.6 | 115.1 | -89.7 | 147.7 | 0 | 0 | 0 | 107.1 | |||||
| 6 | L | 46.8 | Very low | 47.4 | Very low | 179 Ų | 179 | 157.6 Ų | 157.6 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | trans | -88.1 | 137.9 | 172.5 | -148.9 | 98.3 | 0 | 0 | 0 | 107.9 | ||||
| 7 | G | 46.6 | Very low | 47.5 | Very low | 55 Ų | 55 | 156.9 Ų | 156.9 | 57% | 0.567 | 80% | 0.803 | S | S | * | * | trans | 98.5 | 115 | 152.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 8 | L | 46.6 | Very low | 47.6 | Very low | 156 Ų | 156 | 153.7 Ų | 153.7 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | -168.7 | 118.6 | 103.2 | -120.5 | 74.2 | 0 | 0 | 0 | 109.8 | H10 | L8-H10 PolarHBondContact O-N 3.14Š| |||
| 9 | F | 45.9 | Very low | 48.3 | Very low | 189 Ų | 189 | 154 Ų | 154 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | trans | -3 | 100.3 | 158.2 | -63.1 | -93.3 | 0 | 0 | 0 | 117.8 | H11 | F9-H11 PolarHBondContact O-N 2.93Š| ||
| 10 | H | 46.9 | Very low | 48.9 | Very low | 178 Ų | 178 | 151.2 Ų | 151.2 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -89.7 | 84.8 | 147 | -76.7 | -68.5 | 0 | 0 | 0 | 108.4 | L8 L12 | L8-H10 PolarHBondContact O-N 3.14Å; H10-L12 HydrophobicContact CB-CD1 4.15Å; H10-L12 PolarHBondContact O-N 3.29Å | ||
| 11 | H | 52.6 | Low | 49.8 | Very low | 171 Ų | 171 | 154 Ų | 154 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -70.6 | 80.8 | 160.9 | -127.3 | -68.6 | 0 | 0 | 0 | 107.3 | F9 | F9-H11 PolarHBondContact O-N 2.93Š| ||
| 12 | L | 50.3 | Low | 51.3 | Low | 136 Ų | 136 | 145.7 Ų | 145.7 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | trans | -67 | 128.4 | 161.9 | -104.2 | 79.1 | 0 | 0 | 0 | 106.9 | H10 R14 | H10-L12 HydrophobicContact CB-CD1 4.15Å; H10-L12 PolarHBondContact O-N 3.29Å; L12-R14 PolarHBondContact O-N 3.1Å | ||
| 13 | P | 49 | Very low | 52.8 | Low | 111 Ų | 111 | 144.9 Ų | 144.9 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | trans | -60.3 | 127 | 162.4 | 26.1 | -28.9 | 0 | 0 | 0 | 106.2 | F15 | P13-F15 PolarHBondContact O-N 2.65Š| ||
| 14 | R | 51.3 | Low | 54.5 | Low | 202 Ų | 202 | 146.5 Ų | 146.5 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | trans | -52.8 | 89.6 | 168.8 | -175.3 | -179.9 | -175.1 | 129.3 | -0.1 | 107.7 | L12 M16 E17 | L12-R14 PolarHBondContact O-N 3.1Å; R14-M16 PolarHBondContact O-N 2.93Å; R14-E17 IonicContact CZ-OE2 3.61Å; R14-E17 VanDerWaalsContact CZ-OE2 3.25Å; R14-E17 IonicContact NE-OE2 3.07Å; R14-E17 PolarHBondContact NE-OE2 3.04Å; R14-E17 IonicContact NH2-OE1 2.68Å; R14-E17 IonicContact NH2-OE2 3.82Å; R14-E17 PolarHBondContact NH2-OE2 2.89Å | ||
| 15 | F | 43.2 | Very low | 55.4 | Low | 181 Ų | 181 | 141 Ų | 141 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | trans | -56.6 | 111.5 | 168.5 | 177.2 | -100.4 | 0 | 0 | 0 | 105.4 | P13 E17 | P13-F15 PolarHBondContact O-N 2.65Å; F15-E17 PolarHBondContact O-N 3.37Å; F15-E17 VanDerWaalsContact O-N 3.15Å | ||
| 16 | M | 49.9 | Very low | 55.9 | Low | 162 Ų | 162 | 142 Ų | 142 | 80% | 0.798 | 72% | 0.721 | S | S | * | * | trans | -38.9 | 120.1 | -175.4 | -79.3 | 165.2 | 56.5 | 0 | 0 | 110.4 | R14 S18 | R14-M16 PolarHBondContact O-N 2.93Å; M16-S18 PolarHBondContact O-N 3Å | ||
| 17 | E | 48.1 | Very low | 56.9 | Low | 147 Ų | 147 | 138.8 Ų | 138.8 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | trans | -53.1 | 103.3 | 171.5 | -90 | 139.6 | 116.6 | 0 | 0 | 109.6 | R14 F15 N19 | R14-E17 IonicContact CZ-OE2 3.61Å; R14-E17 VanDerWaalsContact CZ-OE2 3.25Å; R14-E17 IonicContact NE-OE2 3.07Å; R14-E17 PolarHBondContact NE-OE2 3.04Å; R14-E17 IonicContact NH2-OE1 2.68Å; R14-E17 IonicContact NH2-OE2 3.82Å; R14-E17 PolarHBondContact NH2-OE2 2.89Å; F15-E17 PolarHBondContact O-N 3.37Å; F15-E17 VanDerWaalsContact O-N 3.15Å; E17-N19 PolarHBondContact O-N 3.28Å | ||
| 18 | S | 48.9 | Very low | 58.4 | Low | 99 Ų | 99 | 140.3 Ų | 140.3 | 69% | 0.692 | 69% | 0.692 | S | S | * | * | trans | -84.8 | 88.9 | 178.6 | 44.9 | 0 | 0 | 0 | 0 | 109.8 | M16 | M16-S18 PolarHBondContact O-N 3Š| ||
| 19 | N | 62.6 | Low | 59.6 | Low | 159 Ų | 159 | 142 Ų | 142 | 85% | 0.85 | 69% | 0.688 | S | S | * | * | trans | -110.6 | 79.9 | 151 | -165 | 11 | 0 | 0 | 0 | 109.8 | E17 | E17-N19 PolarHBondContact O-N 3.28Š| ||
| 20 | S | 58.6 | Low | 61 | Low | 98 Ų | 98 | 138.4 Ų | 138.4 | 69% | 0.685 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -177.8 | 123 | 148.3 | 44.1 | 0 | 0 | 0 | 0 | 107.2 | G22 | S20-G22 PolarHBondContact O-N 3.15Š|
| 21 | K | 67.9 | Low | 62.3 | Low | 211 Ų | 211 | 132.2 Ų | 132.2 | 92% | 0.917 | 66% | 0.66 | S | S | * | * | trans | 12.3 | 96.9 | 165.1 | -69.8 | 164.6 | -179.1 | 171.9 | 0 | 114.2 | F23 | K21-F23 PolarHBondContact O-N 3.26Š| ||
| 22 | G | 74.3 | Confident | 63.6 | Low | 50 Ų | 50 | 128.2 Ų | 128.2 | 52% | 0.515 | 64% | 0.644 | S | S | . | * | trans | -51.8 | 135.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S20 Q24 | S20-G22 PolarHBondContact O-N 3.15Å; G22-Q24 WeakPolarHBondContact O-CG 3.2Å; G22-Q24 PolarHBondContact O-N 2.85Å; G22-Q24 PolarHBondContact O-NE2 3.06Å | ||
| 23 | F | 71.3 | Confident | 64.9 | Low | 137 Ų | 137 | 122.9 Ų | 122.9 | 60% | 0.601 | 62% | 0.618 | S | S | * | * | trans | -49.4 | 120.1 | 178 | -176.1 | -101.1 | 0 | 0 | 0 | 110.6 | K21 P25 D28 | K21-F23 PolarHBondContact O-N 3.26Å; F23-P25 HydrophobicContact CD1-CG 4.45Å; F23-P25 WeakPolarHBondContact O-CD 3.4Å; F23-D28 HydrophobicContact CD2-CB 3.7Å; F23-D28 HydrophobicContact CE2-CB 3.34Å; F23-D28 HydrophobicContact CG-CB 4.48Å; F23-D28 HydrophobicContact CZ-CB 3.85Å | ||
| 24 | Q | 77.5 | Confident | 66.3 | Low | 101 Ų | 101 | 122.3 Ų | 122.3 | 47% | 0.472 | 61% | 0.609 | S | S | . | * | trans | -103.3 | 102.6 | -178.8 | -65.4 | -57.3 | -58.2 | 0 | 0 | 108.3 | G22 W26 R27 D28 | G22-Q24 WeakPolarHBondContact O-CG 3.2Å; G22-Q24 PolarHBondContact O-N 2.85Å; G22-Q24 PolarHBondContact O-NE2 3.06Å; Q24-W26 PolarHBondContact O-N 3.45Å; Q24-R27 HydrophobicContact CB-CB 3.99Å; Q24-R27 HydrophobicContact CB-CG 4.27Å; Q24-R27 PolarHBondContact O-N 3.33Å; Q24-D28 PolarHBondContact N-OD2 3.09Å; Q24-D28 PolarHBondContact O-N 3.44Å | ||
| 25 | P | 71.1 | Confident | 67.8 | Low | 67 Ų | 67 | 116.4 Ų | 116.4 | 44% | 0.435 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -52.8 | -39.1 | -170.9 | -28.8 | 35.6 | 0 | 0 | 0 | 114 | F23 R27 Y29 M30 | F23-P25 HydrophobicContact CD1-CG 4.45Å; F23-P25 WeakPolarHBondContact O-CD 3.4Å; P25-R27 VanDerWaalsContact C-N 3.34Å; P25-R27 PolarHBondContact O-N 3.3Å; P25-Y29 WeakPolarHBondContact O-CA 3.28Å; P25-Y29 VanDerWaalsContact O-CB 3.22Å; P25-Y29 WeakPolarHBondContact O-CB 3.29Å; P25-Y29 PolarHBondContact O-N 3.43Å; P25-M30 PolarHBondContact O-N 2.92Å |
| 26 | W | 64.8 | Low | 69.6 | Low | 192 Ų | 192 | 110.6 Ų | 110.6 | 73% | 0.727 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -70.3 | -28.8 | 180 | -43.9 | 101.2 | 0 | 0 | 0 | 113.6 | Q24 | Q24-W26 PolarHBondContact O-N 3.45Å |
| 27 | R | 66.9 | Low | 71.1 | Confident | 112 Ų | 112 | 109.3 Ų | 109.3 | 42% | 0.423 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -90 | -38.4 | 178 | -69.9 | -169.9 | 179.9 | -82.5 | 0.2 | 112.2 | Q24 P25 S33 | Q24-R27 HydrophobicContact CB-CB 3.99Å; Q24-R27 HydrophobicContact CB-CG 4.27Å; Q24-R27 PolarHBondContact O-N 3.33Å; P25-R27 VanDerWaalsContact C-N 3.34Å; P25-R27 PolarHBondContact O-N 3.3Å; R27-S33 PolarHBondContact O-OG 3.33Å |
| 28 | D | 78.6 | Confident | 72.8 | Confident | 88 Ų | 88 | 105.2 Ų | 105.2 | 47% | 0.471 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -102.2 | -31.2 | -166 | -57.3 | -30.3 | 0 | 0 | 0 | 112.9 | F23 Q24 | F23-D28 HydrophobicContact CD2-CB 3.7Å; F23-D28 HydrophobicContact CE2-CB 3.34Å; F23-D28 HydrophobicContact CG-CB 4.48Å; F23-D28 HydrophobicContact CZ-CB 3.85Å; Q24-D28 PolarHBondContact N-OD2 3.09Å; Q24-D28 PolarHBondContact O-N 3.44Å |
| 29 | Y | 71.1 | Confident | 74.5 | Confident | 191 Ų | 191 | 104.5 Ų | 104.5 | 75% | 0.749 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -39.9 | 178.4 | -170.2 | -101.4 | 0 | 0 | 0 | 112.5 | P25 | P25-Y29 WeakPolarHBondContact O-CA 3.28Å; P25-Y29 VanDerWaalsContact O-CB 3.22Å; P25-Y29 WeakPolarHBondContact O-CB 3.29Å; P25-Y29 PolarHBondContact O-N 3.43Å |
| 30 | M | 76.6 | Confident | 75.5 | Confident | 113 Ų | 113 | 101.5 Ų | 101.5 | 56% | 0.557 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -88.1 | -8 | -179.2 | -61.1 | -62.4 | -118.6 | 0 | 0 | 113.6 | P25 L32 | P25-M30 PolarHBondContact O-N 2.92Å; M30-L32 HydrophobicContact CB-CD1 4.09Å; M30-L32 HydrophobicContact CB-CG 3.97Å; M30-L32 PolarHBondContact O-N 3.26Å |
| 31 | G | 74.7 | Confident | 76.6 | Confident | 48 Ų | 48 | 102.9 Ų | 102.9 | 50% | 0.495 | 50% | 0.503 | S | S | . | . | trans | 64.9 | 18.6 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | S33 | G31-S33 VanDerWaalsContact C-N 3.28Å; G31-S33 PolarHBondContact O-N 3.44Å | ||
| 32 | L | 78.4 | Confident | 77 | Confident | 87 Ų | 87 | 100 Ų | 100 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | trans | -87.1 | 3.9 | -173.8 | -59.4 | 178.2 | 0 | 0 | 0 | 113.6 | M30 D34 T35 V36 | M30-L32 HydrophobicContact CB-CD1 4.09Å; M30-L32 HydrophobicContact CB-CG 3.97Å; M30-L32 PolarHBondContact O-N 3.26Å; L32-D34 VanDerWaalsContact C-N 3.33Å; L32-D34 PolarHBondContact O-N 3.3Å; L32-T35 PolarHBondContact O-N 3.34Å; L32-V36 VanDerWaalsContact O-CG2 3.32Å; L32-V36 WeakPolarHBondContact O-CG2 3.45Å; L32-V36 PolarHBondContact O-N 3.23Å | ||
| 33 | S | 77.4 | Confident | 76.8 | Confident | 25 Ų | 25 | 103.4 Ų | 103.4 | 18% | 0.175 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -61 | -39.4 | -172.6 | 47.6 | 0 | 0 | 0 | 0 | 112.8 | R27 G31 R37 | R27-S33 PolarHBondContact O-OG 3.33Å; G31-S33 VanDerWaalsContact C-N 3.28Å; G31-S33 PolarHBondContact O-N 3.44Å; S33-R37 WeakPolarHBondContact O-CB 3.39Å; S33-R37 PolarHBondContact O-N 2.83Å; S33-R37 VanDerWaalsContact O-N 3.13Å |
| 34 | D | 79.5 | Confident | 76.4 | Confident | 98 Ų | 98 | 101.7 Ų | 101.7 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.7 | -40.5 | 177.4 | -65.2 | -32.3 | 0 | 0 | 0 | 112.1 | L32 V36 R37 E38 | L32-D34 VanDerWaalsContact C-N 3.33Å; L32-D34 PolarHBondContact O-N 3.3Å; D34-V36 PolarHBondContact O-N 3.29Å; D34-R37 CarbonylContact O-C 3.6Å; D34-R37 WeakPolarHBondContact O-CB 3.28Å; D34-R37 PolarHBondContact O-N 3.32Å; D34-R37 VanDerWaalsContact O-N 3.17Å; D34-R37 IonicContact OD1-CZ 2.7Å; D34-R37 IonicContact OD1-NH1 2.88Å; D34-R37 PolarHBondContact OD1-NH1 2.93Å; D34-R37 IonicContact OD1-NH2 3.22Å; D34-E38 WeakPolarHBondContact O-CB 3.4Å; D34-E38 PolarHBondContact O-N 3.3Å |
| 35 | T | 82.1 | Confident | 75.5 | Confident | 79 Ų | 79 | 102.3 Ų | 102.3 | 49% | 0.485 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 176 | -47.2 | 0 | 0 | 0 | 0 | 111.7 | L32 R37 E38 I39 | L32-T35 PolarHBondContact O-N 3.34Å; T35-R37 VanDerWaalsContact C-N 3.33Å; T35-R37 PolarHBondContact O-N 3.33Å; T35-E38 WeakPolarHBondContact O-CB 3.42Å; T35-E38 PolarHBondContact O-N 3.3Å; T35-I39 HydrophobicContact CG2-CD1 4.23Å; T35-I39 VanDerWaalsContact O-CG1 3.3Å; T35-I39 WeakPolarHBondContact O-CG1 3.48Å; T35-I39 PolarHBondContact O-N 3.26Å |
| 36 | V | 80.6 | Confident | 74.9 | Confident | 58 Ų | 58 | 101.5 Ų | 101.5 | 35% | 0.352 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 175.5 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | L32 D34 E38 I39 L40 | L32-V36 VanDerWaalsContact O-CG2 3.32Å; L32-V36 WeakPolarHBondContact O-CG2 3.45Å; L32-V36 PolarHBondContact O-N 3.23Å; D34-V36 PolarHBondContact O-N 3.29Å; V36-E38 VanDerWaalsContact C-N 3.31Å; V36-E38 PolarHBondContact O-N 3.33Å; V36-I39 PolarHBondContact O-N 3.19Å; V36-L40 HydrophobicContact CG1-CD1 3.71Å; V36-L40 WeakPolarHBondContact O-CB 3.2Å; V36-L40 WeakPolarHBondContact O-CD1 3.33Å; V36-L40 WeakPolarHBondContact O-CG 3.45Å; V36-L40 PolarHBondContact O-N 3.47Å |
| 37 | R | 82.1 | Confident | 74.2 | Confident | 135 Ų | 135 | 100.1 Ų | 100.1 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.7 | -34.7 | 177.3 | -150.3 | -177.9 | -64.9 | 120.5 | 1.6 | 111.9 | S33 D34 T35 R41 | S33-R37 WeakPolarHBondContact O-CB 3.39Å; S33-R37 PolarHBondContact O-N 2.83Å; S33-R37 VanDerWaalsContact O-N 3.13Å; D34-R37 CarbonylContact O-C 3.6Å; D34-R37 WeakPolarHBondContact O-CB 3.28Å; D34-R37 PolarHBondContact O-N 3.32Å; D34-R37 VanDerWaalsContact O-N 3.17Å; D34-R37 IonicContact OD1-CZ 2.7Å; D34-R37 IonicContact OD1-NH1 2.88Å; D34-R37 PolarHBondContact OD1-NH1 2.93Å; D34-R37 IonicContact OD1-NH2 3.22Å; T35-R37 VanDerWaalsContact C-N 3.33Å; T35-R37 PolarHBondContact O-N 3.33Å; R37-R41 WeakPolarHBondContact O-CB 2.93Å; R37-R41 PolarHBondContact O-N 3.45Å; R37-R41 VanDerWaalsContact O-N 3.08Å |
| 38 | E | 84.4 | Confident | 73.3 | Confident | 62 Ų | 62 | 100.3 Ų | 100.3 | 29% | 0.29 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.1 | -45 | 175.3 | -170 | 76.7 | -156.6 | 0 | 0 | 112.1 | D34 T35 V36 R41 R42 | D34-E38 WeakPolarHBondContact O-CB 3.4Å; D34-E38 PolarHBondContact O-N 3.3Å; T35-E38 WeakPolarHBondContact O-CB 3.42Å; T35-E38 PolarHBondContact O-N 3.3Å; V36-E38 VanDerWaalsContact C-N 3.31Å; V36-E38 PolarHBondContact O-N 3.33Å; E38-R41 WeakPolarHBondContact O-CB 3.38Å; E38-R41 PolarHBondContact O-N 2.83Å; E38-R41 IonicContact OE1-NH1 2.7Å; E38-R41 PolarHBondContact OE1-NH1 3.07Å; E38-R41 IonicContact OE2-CZ 2.78Å; E38-R41 IonicContact OE2-NH1 3.57Å; E38-R41 PolarHBondContact OE2-NH1 3.16Å; E38-R41 IonicContact OE2-NH2 3.22Å; E38-R41 PolarHBondContact OE2-NH2 2.98Å; E38-R42 WeakPolarHBondContact O-CG 3.35Å; E38-R42 PolarHBondContact O-N 2.97Å; E38-R42 VanDerWaalsContact O-N 3.07Å; E38-R42 IonicContact OE1-CZ 3.44Å; E38-R42 IonicContact OE1-NE 3.86Å; E38-R42 IonicContact OE1-NH2 3.25Å; E38-R42 PolarHBondContact OE1-NH2 3.12Å |
| 39 | I | 84.3 | Confident | 71.5 | Confident | 84 Ų | 84 | 102.8 Ų | 102.8 | 43% | 0.431 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.7 | -47 | 177.5 | -66.8 | 163.8 | 0 | 0 | 0 | 110.5 | T35 V36 R41 R42 N43 | T35-I39 HydrophobicContact CG2-CD1 4.23Å; T35-I39 VanDerWaalsContact O-CG1 3.3Å; T35-I39 WeakPolarHBondContact O-CG1 3.48Å; T35-I39 PolarHBondContact O-N 3.26Å; V36-I39 PolarHBondContact O-N 3.19Å; I39-R41 VanDerWaalsContact C-N 3.27Å; I39-R41 PolarHBondContact O-N 2.99Å; I39-R42 PolarHBondContact O-N 2.96Å; I39-N43 VanDerWaalsContact O-CG 3.22Å; I39-N43 PolarHBondContact O-N 3.38Å; I39-N43 PolarHBondContact O-OD1 2.94Å |
| 40 | L | 83.9 | Confident | 70.1 | Confident | 96 Ų | 96 | 101.2 Ų | 101.2 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.1 | -39.7 | 176.3 | -78.4 | 154.9 | 0 | 0 | 0 | 111.6 | V36 N43 S44 | V36-L40 HydrophobicContact CG1-CD1 3.71Å; V36-L40 WeakPolarHBondContact O-CB 3.2Å; V36-L40 WeakPolarHBondContact O-CD1 3.33Å; V36-L40 WeakPolarHBondContact O-CG 3.45Å; V36-L40 PolarHBondContact O-N 3.47Å; L40-N43 CarbonylContact O-C 3.53Å; L40-N43 PolarHBondContact O-N 3.15Å; L40-S44 PolarHBondContact O-N 2.89Å; L40-S44 PolarHBondContact O-OG 3.38Å |
| 41 | R | 81.5 | Confident | 69.2 | Low | 127 Ų | 127 | 101 Ų | 101 | 48% | 0.479 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.6 | -44.7 | 177.4 | -160.2 | -171.6 | -44.5 | 125.5 | 12.7 | 111.9 | R37 E38 I39 N43 S44 T45 | R37-R41 WeakPolarHBondContact O-CB 2.93Å; R37-R41 PolarHBondContact O-N 3.45Å; R37-R41 VanDerWaalsContact O-N 3.08Å; E38-R41 WeakPolarHBondContact O-CB 3.38Å; E38-R41 PolarHBondContact O-N 2.83Å; E38-R41 IonicContact OE1-NH1 2.7Å; E38-R41 PolarHBondContact OE1-NH1 3.07Å; E38-R41 IonicContact OE2-CZ 2.78Å; E38-R41 IonicContact OE2-NH1 3.57Å; E38-R41 PolarHBondContact OE2-NH1 3.16Å; E38-R41 IonicContact OE2-NH2 3.22Å; E38-R41 PolarHBondContact OE2-NH2 2.98Å; I39-R41 VanDerWaalsContact C-N 3.27Å; I39-R41 PolarHBondContact O-N 2.99Å; R41-N43 VanDerWaalsContact C-N 3.27Å; R41-N43 PolarHBondContact O-N 3.34Å; R41-S44 PolarHBondContact O-N 3.42Å; R41-T45 PolarHBondContact O-N 3.23Å; R41-T45 VanDerWaalsContact O-N 3.09Å; R41-T45 PolarHBondContact O-OG1 3.31Å; R41-T45 VanDerWaalsContact O-OG1 3.14Å |
| 42 | R | 77 | Confident | 67 | Low | 150 Ų | 150 | 106.1 Ų | 106.1 | 57% | 0.566 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.8 | -33.6 | 176.1 | -69.9 | -179.2 | -172.6 | 125.1 | 6.8 | 112.5 | E38 I39 T45 | E38-R42 WeakPolarHBondContact O-CG 3.35Å; E38-R42 PolarHBondContact O-N 2.97Å; E38-R42 VanDerWaalsContact O-N 3.07Å; E38-R42 IonicContact OE1-CZ 3.44Å; E38-R42 IonicContact OE1-NE 3.86Å; E38-R42 IonicContact OE1-NH2 3.25Å; E38-R42 PolarHBondContact OE1-NH2 3.12Å; I39-R42 PolarHBondContact O-N 2.96Å; R42-T45 PolarHBondContact O-OG1 3.01Å |
| 43 | N | 69.2 | Low | 65.6 | Low | 121 Ų | 121 | 108.8 Ų | 108.8 | 65% | 0.647 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -80.7 | -18.7 | 178 | -64.3 | -2.3 | 0 | 0 | 0 | 113.1 | I39 L40 R41 | I39-N43 VanDerWaalsContact O-CG 3.22Å; I39-N43 PolarHBondContact O-N 3.38Å; I39-N43 PolarHBondContact O-OD1 2.94Å; L40-N43 CarbonylContact O-C 3.53Å; L40-N43 PolarHBondContact O-N 3.15Å; R41-N43 VanDerWaalsContact C-N 3.27Å; R41-N43 PolarHBondContact O-N 3.34Å |
| 44 | S | 61.9 | Low | 63.6 | Low | 102 Ų | 102 | 115.2 Ų | 115.2 | 71% | 0.713 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -88.4 | -21.4 | 173.1 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | L40 R41 G46 | L40-S44 PolarHBondContact O-N 2.89Å; L40-S44 PolarHBondContact O-OG 3.38Å; R41-S44 PolarHBondContact O-N 3.42Å; S44-G46 VanDerWaalsContact C-N 3.29Å; S44-G46 PolarHBondContact O-N 3.12Å |
| 45 | T | 59.9 | Low | 61.6 | Low | 113 Ų | 113 | 114 Ų | 114 | 69% | 0.693 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -95.8 | 51.8 | 172.3 | 57 | 0 | 0 | 0 | 0 | 110.9 | R41 R42 | R41-T45 PolarHBondContact O-N 3.23Å; R41-T45 VanDerWaalsContact O-N 3.09Å; R41-T45 PolarHBondContact O-OG1 3.31Å; R41-T45 VanDerWaalsContact O-OG1 3.14Å; R42-T45 PolarHBondContact O-OG1 3.01Å |
| 46 | G | 58.5 | Low | 59.5 | Low | 51 Ų | 51 | 119 Ų | 119 | 53% | 0.526 | 65% | 0.651 | S | S | . | * | trans | -131.6 | 73.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | S44 | S44-G46 VanDerWaalsContact C-N 3.29Å; S44-G46 PolarHBondContact O-N 3.12Å | ||
| 47 | D | 50.1 | Low | 57.4 | Low | 162 Ų | 162 | 124 Ų | 124 | 87% | 0.866 | 67% | 0.669 | S | S | * | * | trans | -163.6 | 136 | 141.9 | -96.2 | -25 | 0 | 0 | 0 | 111.9 | ||||
| 48 | S | 47.1 | Very low | 55.2 | Low | 116 Ų | 116 | 122.5 Ų | 122.5 | 81% | 0.811 | 68% | 0.68 | S | S | * | * | trans | 81.2 | 107.5 | 177.7 | -37 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 49 | V | 40.7 | Very low | 52.8 | Low | 141 Ų | 141 | 127.6 Ų | 127.6 | 86% | 0.855 | 70% | 0.704 | S | S | * | * | cis | -162.4 | 140.1 | 45.8 | 171.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 50 | L | 41.7 | Very low | 50.6 | Low | 157 Ų | 157 | 128.4 Ų | 128.4 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | trans | -109.1 | 170 | 155.2 | -85.8 | 177.3 | 0 | 0 | 0 | 108.1 | ||||
| 51 | P | 58.6 | Low | 48.3 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | cis | -123.2 | 169.2 | -37.1 | 35.2 | -20.3 | 0 | 0 | 0 | 110.2 | ||||
| 52 | D | 29 | Very low | 46.6 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | -137.3 | 125.7 | 154.1 | -159.5 | 15.5 | 0 | 0 | 0 | 111.2 | ||||
| 53 | L | 48.7 | Very low | 44.4 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | -76.6 | 123.5 | 171.2 | -78 | 110.8 | 0 | 0 | 0 | 107.1 | ||||
| 54 | N | 34 | Very low | 43.1 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | -156.8 | 137.1 | 132.3 | -102 | -35.4 | 0 | 0 | 0 | 112.9 | ||||
| 55 | A | 37.6 | Very low | 41.9 | Very low | 73 Ų | 73 | 134.9 Ų | 134.9 | 60% | 0.603 | 77% | 0.772 | S | S | * | * | trans | -60.6 | 159.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 56 | H | 38.6 | Very low | 41.2 | Very low | 185 Ų | 185 | 135.2 Ų | 135.2 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | -173.9 | 110.6 | 112.2 | -86.6 | -66.2 | 0 | 0 | 0 | 110.1 | |||||
| 57 | H | 37.5 | Very low | 40.4 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | trans | 58.8 | 110.5 | 132.4 | -146.1 | 55.5 | 0 | 0 | 0 | 118 | ||||
| 58 | S | 34 | Very low | 39.9 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | -168.7 | 154.5 | 81.7 | -62.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 59 | Q | 34.2 | Very low | 39.3 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -38.2 | 158.6 | -167.1 | -67.5 | -73.8 | -8.2 | 0 | 0 | 121.5 | ||||
| 60 | P | 39.7 | Very low | 39.6 | Very low | 101 Ų | 101 | 139 Ų | 139 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | trans | -96.6 | 143.3 | 173.9 | 36.9 | -25.2 | 0 | 0 | 0 | 112.2 | ||||
| 61 | D | 35.7 | Very low | 40.1 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 95% | 0.952 | 79% | 0.787 | S | S | * | * | trans | -111.6 | 133.7 | 156.8 | -85.4 | -41.5 | 0 | 0 | 0 | 110.6 | ||||
| 62 | H | 44.1 | Very low | 39.1 | Very low | 165 Ų | 165 | 144 Ų | 144 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -95.1 | 112.6 | -161.5 | 179 | -69.8 | 0 | 0 | 0 | 109.4 | ||||
| 63 | F | 32.3 | Very low | 39.5 | Very low | 212 Ų | 212 | 144.3 Ų | 144.3 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | trans | -143.1 | 102.7 | 155.7 | -111.1 | -85.2 | 0 | 0 | 0 | 112.4 | ||||
| 64 | S | 41.3 | Very low | 39.1 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -24.4 | 140.1 | 165.2 | -175.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 65 | G | 36.6 | Very low | 39 | Very low | 71 Ų | 71 | 143.7 Ų | 143.7 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | 164.6 | 62.5 | 160 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 66 | T | 44.7 | Very low | 38.9 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | 13.3 | 126.4 | 148.7 | -33.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 67 | L | 42.6 | Very low | 38.6 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | -158.2 | 126.5 | 126.1 | -98.3 | 176.7 | 0 | 0 | 0 | 110.6 | |||||
| 68 | S | 38.5 | Very low | 38.3 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -63.5 | 132.7 | -174.9 | -52.9 | 0 | 0 | 0 | 0 | 113.2 | I70 | S68-I70 PolarHBondContact O-N 3.27Š| ||
| 69 | S | 36.3 | Very low | 38.4 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -80.5 | 109.7 | 165.4 | -81.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 70 | I | 45.3 | Very low | 38.9 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -78.8 | 115.1 | 160.7 | -63.7 | 171.4 | 0 | 0 | 0 | 106.6 | S68 V72 | S68-I70 PolarHBondContact O-N 3.27Å; I70-V72 HydrophobicContact CG2-CG1 4.06Å | ||
| 71 | R | 51.9 | Low | 38.8 | Very low | 240 Ų | 240 | 144 Ų | 144 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -88.1 | 126.7 | 163.3 | -63.6 | -174 | -175.5 | -149.1 | 1.6 | 107.4 | ||||
| 72 | V | 38 | Very low | 38.9 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | -120.5 | 127.6 | 160.7 | -71.6 | 0 | 0 | 0 | 0 | 108.6 | I70 | I70-V72 HydrophobicContact CG2-CG1 4.06Š| ||
| 73 | N | 37.5 | Very low | 38.7 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -77.1 | 154.5 | -178.2 | -138 | 17 | 0 | 0 | 0 | 109.9 | ||||
| 74 | A | 41.6 | Very low | 39 | Very low | 91 Ų | 91 | 135.8 Ų | 135.8 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -77.8 | 124.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 75 | E | 31.7 | Very low | 38.8 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -142.1 | 149.6 | 155 | -63 | -170.1 | 156.7 | 0 | 0 | 110 | ||||
| 76 | S | 35.5 | Very low | 38.8 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -90.9 | 149.1 | -154.3 | 176.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 77 | C | 30.8 | Very low | 38.4 | Very low | 117 Ų | 117 | 139 Ų | 139 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -178 | 109.7 | 134.5 | 54 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 78 | E | 31.1 | Very low | 38.2 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | 66.6 | 114.5 | 93.3 | -100.6 | -76.5 | 121.3 | 0 | 0 | 115.2 | |||||
| 79 | S | 36.8 | Very low | 38.2 | Very low | 81 Ų | 81 | 140.3 Ų | 140.3 | 57% | 0.566 | 81% | 0.807 | S | S | * | * | trans | 68 | 113.5 | 143 | -72.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 80 | L | 44.7 | Very low | 38.3 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | 144.3 | 86.7 | 116.1 | -72 | -174.4 | 0 | 0 | 0 | 111.2 | |||||
| 81 | L | 37.9 | Very low | 38.1 | Very low | 180 Ų | 180 | 141.3 Ų | 141.3 | 94% | 0.942 | 80% | 0.804 | S | S | * | * | trans | -138.7 | 89.8 | 147.2 | -74 | -178.5 | 0 | 0 | 0 | 109.5 | ||||
| 82 | S | 36.8 | Very low | 37.3 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | -66.7 | 126.1 | 161.9 | -59.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 83 | N | 41.8 | Very low | 37.3 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | 45.1 | 126.4 | 134.6 | -51 | -15.7 | 0 | 0 | 0 | 117.3 | ||||
| 84 | T | 38.3 | Very low | 37.2 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | -168.3 | 138.2 | 64.5 | 32.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 85 | A | 37.5 | Very low | 36.8 | Very low | 95 Ų | 95 | 144.4 Ų | 144.4 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -79.5 | 140 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 86 | A | 35.8 | Very low | 36.8 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -129.7 | 118.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 87 | M | 37 | Very low | 36.8 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | trans | -65.3 | 132.3 | -177.7 | -71 | -79.8 | 176.6 | 0 | 0 | 111.5 | ||||
| 88 | L | 36.9 | Very low | 37.4 | Very low | 179 Ų | 179 | 146.4 Ų | 146.4 | 94% | 0.937 | 79% | 0.794 | S | S | * | * | trans | -87.9 | 110.5 | 160.6 | -87.8 | 143.7 | 0 | 0 | 0 | 107.8 | ||||
| 89 | T | 39.4 | Very low | 37.3 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -91.5 | 125.2 | 166 | 50.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 90 | T | 38.4 | Very low | 37.2 | Very low | 120 Ų | 120 | 148 Ų | 148 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -57.2 | 128 | 157.7 | 46.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 91 | E | 41 | Very low | 36.7 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -161 | 149.8 | 142.2 | -83 | -47.3 | 106.8 | 0 | 0 | 107.5 | ||||
| 92 | D | 35 | Very low | 36.4 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | 84.4 | 50 | 171 | -58 | -29.4 | 0 | 0 | 0 | 119.6 | ||||
| 93 | L | 38.8 | Very low | 36.3 | Very low | 158 Ų | 158 | 142.7 Ų | 142.7 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -83.4 | 101.1 | 137.5 | -171.1 | 72.7 | 0 | 0 | 0 | 108.3 | ||||
| 94 | F | 34.8 | Very low | 36 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | 171.3 | 149.2 | 131.3 | -107.1 | -84.4 | 0 | 0 | 0 | 112.5 | ||||
| 95 | R | 33.3 | Very low | 36.8 | Very low | 210 Ų | 210 | 141.4 Ų | 141.4 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | 103.3 | 87.7 | 164 | -55.8 | -68.9 | 158.5 | -172.6 | -4.9 | 116 | ||||
| 96 | F | 31.8 | Very low | 36.6 | Very low | 217 Ų | 217 | 143.5 Ų | 143.5 | 95% | 0.952 | 80% | 0.795 | S | S | * | * | trans | -135.4 | 110.7 | 136.8 | -101.2 | -81.6 | 0 | 0 | 0 | 109.8 | ||||
| 97 | A | 35.6 | Very low | 36.7 | Very low | 84 Ų | 84 | 146.4 Ų | 146.4 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | trans | -106.4 | 134.2 | 157 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 98 | Q | 42.3 | Very low | 36.7 | Very low | 171 Ų | 171 | 144.4 Ų | 144.4 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | 27.3 | 134.5 | 159.4 | -80.6 | 168.3 | -82.8 | 0 | 0 | 121.1 | ||||
| 99 | E | 29.2 | Very low | 37 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | -160.3 | 142.9 | 99.8 | -158.3 | 102.4 | 128.3 | 0 | 0 | 110.6 | |||||
| 100 | S | 36 | Very low | 37.1 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -101.4 | 143.1 | -173 | 47.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 101 | A | 33 | Very low | 36.8 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -179.3 | 139.5 | 146.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 102 | S | 31.3 | Very low | 37.1 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | cis | -171.8 | 160.1 | -2 | 37 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 103 | A | 34.5 | Very low | 37.4 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | -44.9 | 137.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 104 | D | 36.5 | Very low | 37.6 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | 27.5 | 161.2 | 116.7 | -100.8 | -14.4 | 0 | 0 | 0 | 123 | |||||
| 105 | P | 55.2 | Low | 37.7 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 62% | 0.623 | 80% | 0.801 | S | S | * | * | trans | -117.8 | 179.9 | -139.4 | 29.5 | -5.7 | 0 | 0 | 0 | 112.6 | ||||
| 106 | L | 33.8 | Very low | 38.5 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 73% | 0.728 | 80% | 0.799 | S | S | * | * | 160.3 | 134.9 | 128.2 | -84.2 | 157.4 | 0 | 0 | 0 | 113.1 | |||||
| 107 | Q | 37 | Very low | 39.1 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | 76.5 | 110.1 | 136.1 | -66.6 | 175.4 | 79.8 | 0 | 0 | 121.8 | ||||
| 108 | T | 37.3 | Very low | 39.4 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -24.6 | 152.4 | 132.5 | 14.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 109 | P | 42.2 | Very low | 39.7 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | -151.6 | 156 | 76.4 | 35.8 | -14.3 | 0 | 0 | 0 | 119 | |||||
| 110 | I | 41.3 | Very low | 40.2 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | 34.3 | 124.7 | 136.6 | -51.5 | 166.8 | 0 | 0 | 0 | 119.4 | ||||
| 111 | G | 32.7 | Very low | 40.7 | Very low | 76 Ų | 76 | 148.8 Ų | 148.8 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | -173.8 | 85.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 112 | S | 47.2 | Very low | 41.1 | Very low | 108 Ų | 108 | 150.8 Ų | 150.8 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | -53.5 | 140.5 | 172.3 | -39.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 113 | R | 41.9 | Very low | 41.8 | Very low | 251 Ų | 251 | 149.2 Ų | 149.2 | 95% | 0.947 | 81% | 0.806 | S | S | * | * | trans | -162.1 | 111.6 | 144.8 | -108.2 | -180 | -70.1 | -148.6 | 6.2 | 110.8 | ||||
| 114 | C | 42 | Very low | 42.5 | Very low | 136 Ų | 136 | 151.3 Ų | 151.3 | 92% | 0.919 | 81% | 0.809 | S | S | * | * | trans | -73.4 | 139.8 | 166 | -68.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 115 | R | 37.9 | Very low | 43.3 | Very low | 238 Ų | 238 | 154 Ų | 154 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | trans | -145.2 | 121 | 156.3 | -165.5 | 178.9 | -173.7 | -170.3 | 4.1 | 109.9 | ||||
| 116 | P | 49.2 | Very low | 43.2 | Very low | 117 Ų | 117 | 155.4 Ų | 155.4 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | trans | -88.2 | 146.3 | 175.1 | 33.4 | -29.3 | 0 | 0 | 0 | 110.6 | ||||
| 117 | K | 44.3 | Very low | 44.1 | Very low | 205 Ų | 205 | 157.1 Ų | 157.1 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | trans | -148.6 | 107.8 | 157.4 | -162.6 | 169.7 | -178.1 | 177.8 | 0 | 110.1 | ||||
| 118 | D | 42.2 | Very low | 44.9 | Very low | 140 Ų | 140 | 153.8 Ų | 153.8 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | trans | -57.9 | 146.7 | 167 | -64.9 | -57.7 | 0 | 0 | 0 | 111.9 | ||||
| 119 | R | 48.9 | Very low | 45.6 | Very low | 240 Ų | 240 | 153.6 Ų | 153.6 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | 140.8 | 113.4 | 123.2 | -75 | -177.7 | -177.9 | -163.6 | -1.7 | 111.3 | |||||
| 120 | R | 40.8 | Very low | 46.5 | Very low | 233 Ų | 233 | 151.8 Ų | 151.8 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | 148.1 | 121 | 104.6 | -176.9 | 165.2 | -112.8 | -101.4 | 0.8 | 110.5 | |||||
| 121 | S | 45.1 | Very low | 47.5 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | -58.6 | 136.8 | 169.5 | -54.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 122 | T | 42.3 | Very low | 48.8 | Very low | 140 Ų | 140 | 154.4 Ų | 154.4 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | -141.3 | 123.4 | 139.7 | 33.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 123 | A | 46.3 | Very low | 49.7 | Very low | 85 Ų | 85 | 154.3 Ų | 154.3 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | trans | -71.8 | 172.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 124 | T | 48.8 | Very low | 50.7 | Low | 141 Ų | 141 | 148.1 Ų | 148.1 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | 86.7 | 98.9 | 167.7 | 72.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 125 | R | 52.9 | Low | 51.3 | Low | 216 Ų | 216 | 146.2 Ų | 146.2 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | 179.1 | 104.9 | 106.7 | -176.4 | 164.2 | 164.3 | -167.9 | -2.4 | 109 | K127 | R125-K127 PolarHBondContact O-N 3.45Å; R125-K127 VanDerWaalsContact O-N 3.14Å | |||
| 126 | S | 54.1 | Low | 52.3 | Low | 126 Ų | 126 | 146 Ų | 146 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | trans | -52.7 | 113.1 | 162.9 | 39.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 127 | K | 51.2 | Low | 52.9 | Low | 174 Ų | 174 | 146 Ų | 146 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | trans | -127.1 | 112.2 | 159.8 | -159.3 | 159.3 | -176.6 | -177.8 | 0 | 106.8 | R125 | R125-K127 PolarHBondContact O-N 3.45Å; R125-K127 VanDerWaalsContact O-N 3.14Å | ||
| 128 | A | 54.9 | Low | 53.8 | Low | 89 Ų | 89 | 141 Ų | 141 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 136.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110 | A130 | A128-A130 PolarHBondContact O-N 3.46Š|
| 129 | P | 51.1 | Low | 55.3 | Low | 126 Ų | 126 | 139.2 Ų | 139.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 122.7 | 166.9 | -15.5 | 29.3 | 0 | 0 | 0 | 108.3 | ||
| 130 | A | 61.6 | Low | 57.3 | Low | 74 Ų | 74 | 133.1 Ų | 133.1 | 61% | 0.612 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 149.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | A128 E132 | A128-A130 PolarHBondContact O-N 3.46Å; A130-E132 PolarHBondContact O-N 3.3Å |
| 131 | P | 61.7 | Low | 59.9 | Low | 126 Ų | 126 | 126.3 Ų | 126.3 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -63.3 | 105.5 | 174.1 | 25.4 | -31.1 | 0 | 0 | 0 | 108.7 | ||||
| 132 | E | 60.3 | Low | 62.3 | Low | 169 Ų | 169 | 121.1 Ų | 121.1 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 126.4 | 168.5 | -70.8 | -75.7 | 135.7 | 0 | 0 | 108.2 | A130 | A130-E132 PolarHBondContact O-N 3.3Š|
| 133 | P | 67 | Low | 64.9 | Low | 105 Ų | 105 | 117.4 Ų | 117.4 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 139.2 | 172.5 | 24.7 | -31.5 | 0 | 0 | 0 | 108.6 | A135 | P133-A135 PolarHBondContact O-N 3.24Å; P133-A135 VanDerWaalsContact O-N 3.1Å |
| 134 | P | 61.3 | Low | 67.3 | Low | 122 Ų | 122 | 115.4 Ų | 115.4 | 79% | 0.792 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 124.9 | -174.9 | 22.2 | -32.1 | 0 | 0 | 0 | 109.3 | R136 | P134-R136 PolarHBondContact O-N 3.47Š|
| 135 | A | 56.1 | Low | 69.6 | Low | 95 Ų | 95 | 108.7 Ų | 108.7 | 79% | 0.785 | 62% | 0.621 | S | S | * | * | trans | -43.8 | 119.1 | 171 | 0 | 0 | 0 | 0 | 0 | 107.9 | P133 P137 | P133-A135 PolarHBondContact O-N 3.24Å; P133-A135 VanDerWaalsContact O-N 3.1Å; A135-P137 VanDerWaalsContact O-N 3.08Å | ||
| 136 | R | 58.8 | Low | 71.8 | Confident | 235 Ų | 235 | 104.2 Ų | 104.2 | 89% | 0.887 | 61% | 0.608 | S | S | * | * | trans | -47.3 | 122.9 | -178.6 | -62.9 | 172.7 | -167.1 | -101.8 | -0.9 | 106.9 | P134 S138 | P134-R136 PolarHBondContact O-N 3.47Å; R136-S138 PolarHBondContact O-N 3.34Å; R136-S138 VanDerWaalsContact O-N 3.09Å | ||
| 137 | P | 60.7 | Low | 73.8 | Confident | 117 Ų | 117 | 106 Ų | 106 | 76% | 0.76 | 60% | 0.602 | S | S | * | * | trans | -57.5 | 125.8 | -179.9 | 23.4 | -31.8 | 0 | 0 | 0 | 106.7 | A135 S139 | A135-P137 VanDerWaalsContact O-N 3.08Å; P137-S139 PolarHBondContact O-N 2.89Å | ||
| 138 | S | 63.1 | Low | 75.9 | Confident | 99 Ų | 99 | 101.6 Ų | 101.6 | 69% | 0.692 | 59% | 0.586 | S | S | * | * | trans | -47.4 | 109.3 | 169.7 | 54.4 | 0 | 0 | 0 | 0 | 107 | R136 K140 | R136-S138 PolarHBondContact O-N 3.34Å; R136-S138 VanDerWaalsContact O-N 3.09Å; S138-K140 PolarHBondContact O-N 3.49Å | ||
| 139 | S | 74.8 | Confident | 77.9 | Confident | 103 Ų | 103 | 100.5 Ų | 100.5 | 72% | 0.72 | 58% | 0.584 | S | S | * | * | trans | -64.5 | 128.4 | -170.3 | 48.8 | 0 | 0 | 0 | 0 | 108.4 | P137 | P137-S139 PolarHBondContact O-N 2.89Š| ||
| 140 | K | 89.8 | Confident | 80.1 | Confident | 111 Ų | 111 | 97.7 Ų | 97.7 | 48% | 0.483 | 56% | 0.56 | S | S | . | * | trans | -68.5 | 140.2 | 173.3 | -51.2 | 178.4 | 178.3 | 165.5 | 0 | 106.4 | S138 G156 S157 | S138-K140 PolarHBondContact O-N 3.49Å; K140-G156 CarbonylContact O-C 3.6Å; K140-G156 VanDerWaalsContact O-C 3.27Å; K140-G156 WeakPolarHBondContact O-CA 3.02Å; K140-S157 WeakPolarHBondContact CD-O 3.19Å | ||
| 141 | F | 95.2 | Very high | 81.8 | Confident | 90 Ų | 90 | 97.2 Ų | 97.2 | 40% | 0.395 | 55% | 0.552 | S | S | . | * | trans | -143.1 | 126.5 | -178 | 179.5 | -97.2 | 0 | 0 | 0 | 111.6 | K146 Y155 H158 | F141-K146 HydrophobicContact CE2-CD 3.71Å; F141-K146 HydrophobicContact CZ-CB 4.31Å; F141-K146 HydrophobicContact CZ-CD 3.37Å; F141-K146 HydrophobicContact CZ-CG 4.45Å; F141-Y155 CarbonylContact C-O 3.27Å; F141-Y155 WeakPolarHBondContact CA-O 3.45Å; F141-Y155 AromaticContact CD2-CD2 3.74Å; F141-Y155 HydrophobicContact CD2-CD2 3.74Å; F141-Y155 HydrophobicContact CD2-CE2 4.01Å; F141-Y155 AromaticContact CE2-CD2 3.69Å; F141-Y155 HydrophobicContact CE2-CD2 3.69Å; F141-Y155 AromaticContact CE2-CE2 3.79Å; F141-Y155 HydrophobicContact CE2-CE2 3.79Å; F141-H158 CarbonylContact C-O 3.16Å; F141-H158 PolarHBondContact N-O 3.03Å | ||
| 142 | C | 97.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 98 Ų | 98 | 0% | 0 | 55% | 0.545 | C | S | . | . | trans | -113.3 | 107.8 | 178.5 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | F144 C145 K146 Y155 H158 | C142-F144 VanDerWaalsContact C-N 3.3Å; C142-F144 PolarHBondContact O-N 3.3Å; C142-C145 HydrophobicContact CB-CB 4.31Å; C142-K146 PolarHBondContact O-N 3.49Å; C142-K146 VanDerWaalsContact O-N 3.15Å; C142-Y155 PolarHBondContact N-O 3.38Å; C142-H158 VanDerWaalsContact CB-NE2 3.35Å; C142-H158 WeakPolarHBondContact CB-NE2 3.29Å; C142-H158 WeakPolarHBondContact CB-O 3.27Å; C142-H158 PolarHBondContact N-O 2.92Å; C142-H158 PolarHBondContact SG-NE2 3.01Å | ||
| 143 | S | 96.1 | Very high | 85 | Confident | 63 Ų | 63 | 97.1 Ų | 97.1 | 44% | 0.441 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.1 | -30.6 | 178.6 | 54.1 | 0 | 0 | 0 | 0 | 114 | H147 L160 | S143-H147 WeakPolarHBondContact O-CB 3.43Å; S143-H147 PolarHBondContact O-N 3.35Å; S143-L160 VanDerWaalsContact OG-CD2 3.25Å; S143-L160 WeakPolarHBondContact OG-CD2 3.16Å |
| 144 | F | 97.3 | Very high | 86.4 | Confident | 42 Ų | 42 | 93.5 Ų | 93.5 | 18% | 0.184 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -64.4 | -54.6 | 178.2 | 179.2 | -102.9 | 0 | 0 | 0 | 111.8 | C142 K146 H147 N148 L160 L172 T189 | C142-F144 VanDerWaalsContact C-N 3.3Å; C142-F144 PolarHBondContact O-N 3.3Å; F144-K146 VanDerWaalsContact C-N 3.3Å; F144-K146 PolarHBondContact O-N 3.28Å; F144-H147 WeakPolarHBondContact O-CB 3.2Å; F144-H147 PolarHBondContact O-N 2.99Å; F144-H147 VanDerWaalsContact O-N 3.12Å; F144-N148 WeakPolarHBondContact CE1-ND2 3.45Å; F144-N148 VanDerWaalsContact CZ-ND2 3.29Å; F144-N148 WeakPolarHBondContact CZ-ND2 3.29Å; F144-N148 PolarHBondContact O-N 2.78Å; F144-L160 HydrophobicContact CB-CD1 3.57Å; F144-L160 HydrophobicContact CB-CD2 4.3Å; F144-L160 HydrophobicContact CG-CD1 4.42Å; F144-L172 HydrophobicContact CD1-CB 4.01Å; F144-L172 HydrophobicContact CD2-CD1 4.46Å; F144-L172 HydrophobicContact CE1-CB 3.96Å; F144-L172 HydrophobicContact CE1-CD1 4.39Å; F144-L172 HydrophobicContact CE2-CD1 4.02Å; F144-L172 HydrophobicContact CG-CB 4.47Å; F144-L172 HydrophobicContact CZ-CB 4.4Å; F144-L172 HydrophobicContact CZ-CD1 3.97Å; F144-T189 HydrophobicContact CE2-CG2 3.83Å |
| 145 | C | 97.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 89.9 Ų | 89.9 | 0% | 0 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -58.1 | -41.4 | 175.3 | -62.2 | 0 | 0 | 0 | 0 | 112 | C142 H147 N148 G149 E150 H158 C169 Y171 | C142-C145 HydrophobicContact CB-CB 4.31Å; C145-H147 VanDerWaalsContact C-N 3.34Å; C145-H147 PolarHBondContact O-N 3.19Å; C145-N148 PolarHBondContact O-N 2.97Å; C145-G149 PolarHBondContact O-N 2.93Å; C145-E150 HydrophobicContact CB-CB 3.93Å; C145-E150 HydrophobicContact CB-CG 3.85Å; C145-E150 VanDerWaalsContact O-CB 3.29Å; C145-E150 WeakPolarHBondContact O-CB 3.47Å; C145-E150 WeakPolarHBondContact O-CG 3.15Å; C145-E150 PolarHBondContact O-N 3.33Å; C145-H158 VanDerWaalsContact SG-CE1 3.55Å; C145-H158 PolarHBondContact SG-NE2 3.41Å; C145-C169 PolarHBondContact SG-SG 3.19Å; C145-Y171 WeakPolarHBondContact SG-CD2 3.32Å |
| 146 | K | 97.4 | Very high | 90 | Very high | 122 Ų | 122 | 86.8 Ų | 86.8 | 53% | 0.53 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 174.8 | -176.4 | 179.8 | 179.9 | -177.5 | 0 | 112.1 | F141 C142 F144 N148 G149 Y155 | F141-K146 HydrophobicContact CE2-CD 3.71Å; F141-K146 HydrophobicContact CZ-CB 4.31Å; F141-K146 HydrophobicContact CZ-CD 3.37Å; F141-K146 HydrophobicContact CZ-CG 4.45Å; C142-K146 PolarHBondContact O-N 3.49Å; C142-K146 VanDerWaalsContact O-N 3.15Å; F144-K146 VanDerWaalsContact C-N 3.3Å; F144-K146 PolarHBondContact O-N 3.28Å; K146-N148 VanDerWaalsContact C-N 3.27Å; K146-N148 PolarHBondContact O-N 2.94Å; K146-G149 PolarHBondContact O-N 3.45Å; K146-G149 VanDerWaalsContact O-N 3.12Å; K146-Y155 HydrophobicContact CB-CD1 4.27Å; K146-Y155 HydrophobicContact CB-CG 4.14Å |
| 147 | H | 96.7 | Very high | 91.7 | Very high | 164 Ų | 164 | 78.6 Ų | 78.6 | 76% | 0.759 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64 | -34.6 | 178.3 | -178.4 | 62.4 | 0 | 0 | 0 | 112.4 | S143 F144 C145 G149 | S143-H147 WeakPolarHBondContact O-CB 3.43Å; S143-H147 PolarHBondContact O-N 3.35Å; F144-H147 WeakPolarHBondContact O-CB 3.2Å; F144-H147 PolarHBondContact O-N 2.99Å; F144-H147 VanDerWaalsContact O-N 3.12Å; C145-H147 VanDerWaalsContact C-N 3.34Å; C145-H147 PolarHBondContact O-N 3.19Å; H147-G149 PolarHBondContact O-N 3.27Å |
| 148 | N | 96.1 | Very high | 93.4 | Very high | 81 Ų | 81 | 74 Ų | 74 | 43% | 0.433 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -1.6 | 176.3 | -63.5 | -11.5 | 0 | 0 | 0 | 113.5 | F144 C145 K146 E150 | F144-N148 WeakPolarHBondContact CE1-ND2 3.45Å; F144-N148 VanDerWaalsContact CZ-ND2 3.29Å; F144-N148 WeakPolarHBondContact CZ-ND2 3.29Å; F144-N148 PolarHBondContact O-N 2.78Å; C145-N148 PolarHBondContact O-N 2.97Å; K146-N148 VanDerWaalsContact C-N 3.27Å; K146-N148 PolarHBondContact O-N 2.94Å; N148-E150 HydrophobicContact CB-CG 4.43Å |
| 149 | G | 96.8 | Very high | 94.9 | Very high | 66 Ų | 66 | 75.6 Ų | 75.6 | 68% | 0.68 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 22.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | C145 K146 H147 | C145-G149 PolarHBondContact O-N 2.93Å; K146-G149 PolarHBondContact O-N 3.45Å; K146-G149 VanDerWaalsContact O-N 3.12Å; H147-G149 PolarHBondContact O-N 3.27Å |
| 150 | E | 97.4 | Very high | 95.9 | Very high | 68 Ų | 68 | 72.4 Ų | 72.4 | 32% | 0.318 | 38% | 0.382 | S | S | . | . | trans | -65.4 | 157.6 | 175 | -63.3 | -67.2 | 169.7 | 0 | 0 | 111.7 | C145 N148 V154 Y155 | C145-E150 HydrophobicContact CB-CB 3.93Å; C145-E150 HydrophobicContact CB-CG 3.85Å; C145-E150 VanDerWaalsContact O-CB 3.29Å; C145-E150 WeakPolarHBondContact O-CB 3.47Å; C145-E150 WeakPolarHBondContact O-CG 3.15Å; C145-E150 PolarHBondContact O-N 3.33Å; N148-E150 HydrophobicContact CB-CG 4.43Å; E150-V154 HydrophobicContact CB-CB 4.1Å; E150-V154 HydrophobicContact CB-CG1 3.85Å; E150-V154 HydrophobicContact CG-CG1 4.17Å; E150-Y155 VanDerWaalsContact O-CD1 3.31Å; E150-Y155 WeakPolarHBondContact O-CD1 3.19Å | ||
| 151 | S | 96.9 | Very high | 96.2 | Very high | 63 Ų | 63 | 72.8 Ų | 72.8 | 44% | 0.441 | 38% | 0.383 | S | S | . | . | trans | -64.5 | 157.6 | 178.5 | 70 | 0 | 0 | 0 | 0 | 113 | L153 V154 Y155 | S151-L153 PolarHBondContact O-N 3.09Å; S151-V154 WeakPolarHBondContact O-CA 3.37Å; S151-V154 WeakPolarHBondContact O-CB 3.37Å; S151-V154 PolarHBondContact O-N 3.02Å; S151-V154 VanDerWaalsContact OG-CG2 3.28Å; S151-V154 WeakPolarHBondContact OG-CG2 3.29Å; S151-Y155 WeakPolarHBondContact O-CD1 3.23Å; S151-Y155 PolarHBondContact O-N 3.04Å | ||
| 152 | E | 95.6 | Very high | 96.2 | Very high | 142 Ų | 142 | 72 Ų | 72 | 66% | 0.664 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58.9 | -35.1 | 178.1 | -178 | 168.7 | -169 | 0 | 0 | 113.7 | V154 Y155 G156 | E152-V154 PolarHBondContact O-N 3.3Å; E152-Y155 VanDerWaalsContact CA-CZ 3.44Å; E152-Y155 HydrophobicContact CB-CE1 3.83Å; E152-Y155 HydrophobicContact CB-CE2 4.35Å; E152-Y155 WeakPolarHBondContact CB-OH 3.21Å; E152-Y155 HydrophobicContact CG-CE1 4.38Å; E152-Y155 HydrophobicContact CG-CE2 4.02Å; E152-Y155 WeakPolarHBondContact CG-OH 3.31Å; E152-G156 VanDerWaalsContact O-CA 3.29Å; E152-G156 WeakPolarHBondContact O-CA 3.29Å; E152-G156 PolarHBondContact O-N 3.34Å |
| 153 | L | 94.3 | Very high | 96.1 | Very high | 151 Ų | 151 | 82 Ų | 82 | 79% | 0.791 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.9 | -37.5 | 173.5 | -59.6 | 179.2 | 0 | 0 | 0 | 111.4 | S151 S157 | S151-L153 PolarHBondContact O-N 3.09Å; L153-S157 VanDerWaalsContact O-CB 3.28Å; L153-S157 WeakPolarHBondContact O-CB 3.44Å; L153-S157 PolarHBondContact O-N 3.24Å |
| 154 | V | 95.8 | Very high | 95.9 | Very high | 29 Ų | 29 | 83 Ų | 83 | 18% | 0.176 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -76.6 | -56.4 | -178.9 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | E150 S151 E152 G156 S157 H158 Y171 | E150-V154 HydrophobicContact CB-CB 4.1Å; E150-V154 HydrophobicContact CB-CG1 3.85Å; E150-V154 HydrophobicContact CG-CG1 4.17Å; S151-V154 WeakPolarHBondContact O-CA 3.37Å; S151-V154 WeakPolarHBondContact O-CB 3.37Å; S151-V154 PolarHBondContact O-N 3.02Å; S151-V154 VanDerWaalsContact OG-CG2 3.28Å; S151-V154 WeakPolarHBondContact OG-CG2 3.29Å; E152-V154 PolarHBondContact O-N 3.3Å; V154-G156 PolarHBondContact O-N 3.44Å; V154-S157 PolarHBondContact O-N 3Å; V154-S157 PolarHBondContact O-OG 3.42Å; V154-H158 PolarHBondContact O-CE1 3.35Å; V154-H158 VanDerWaalsContact O-CE1 3.3Å; V154-H158 PolarHBondContact O-ND1 3.24Å; V154-Y171 HydrophobicContact CG1-CE2 3.44Å; V154-Y171 VanDerWaalsContact CG1-CE2 3.44Å; V154-Y171 VanDerWaalsContact CG1-OH 3.29Å; V154-Y171 WeakPolarHBondContact CG1-OH 3.11Å |
| 155 | Y | 96.9 | Very high | 95.6 | Very high | 47 Ų | 47 | 83.2 Ų | 83.2 | 18% | 0.184 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -69.7 | -21.9 | -178.8 | 71.9 | -112.6 | 0 | 0 | 0 | 112.7 | F141 C142 K146 E150 S151 E152 | F141-Y155 CarbonylContact C-O 3.27Å; F141-Y155 WeakPolarHBondContact CA-O 3.45Å; F141-Y155 AromaticContact CD2-CD2 3.74Å; F141-Y155 HydrophobicContact CD2-CD2 3.74Å; F141-Y155 HydrophobicContact CD2-CE2 4.01Å; F141-Y155 AromaticContact CE2-CD2 3.69Å; F141-Y155 HydrophobicContact CE2-CD2 3.69Å; F141-Y155 AromaticContact CE2-CE2 3.79Å; F141-Y155 HydrophobicContact CE2-CE2 3.79Å; C142-Y155 PolarHBondContact N-O 3.38Å; K146-Y155 HydrophobicContact CB-CD1 4.27Å; K146-Y155 HydrophobicContact CB-CG 4.14Å; E150-Y155 VanDerWaalsContact O-CD1 3.31Å; E150-Y155 WeakPolarHBondContact O-CD1 3.19Å; S151-Y155 WeakPolarHBondContact O-CD1 3.23Å; S151-Y155 PolarHBondContact O-N 3.04Å; E152-Y155 VanDerWaalsContact CA-CZ 3.44Å; E152-Y155 HydrophobicContact CB-CE1 3.83Å; E152-Y155 HydrophobicContact CB-CE2 4.35Å; E152-Y155 WeakPolarHBondContact CB-OH 3.21Å; E152-Y155 HydrophobicContact CG-CE1 4.38Å; E152-Y155 HydrophobicContact CG-CE2 4.02Å; E152-Y155 WeakPolarHBondContact CG-OH 3.31Å |
| 156 | G | 95.8 | Very high | 95.6 | Very high | 30 Ų | 30 | 88.1 Ų | 88.1 | 31% | 0.309 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -6.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | K140 E152 V154 | K140-G156 CarbonylContact O-C 3.6Å; K140-G156 VanDerWaalsContact O-C 3.27Å; K140-G156 WeakPolarHBondContact O-CA 3.02Å; E152-G156 VanDerWaalsContact O-CA 3.29Å; E152-G156 WeakPolarHBondContact O-CA 3.29Å; E152-G156 PolarHBondContact O-N 3.34Å; V154-G156 PolarHBondContact O-N 3.44Å |
| 157 | S | 94.8 | Very high | 95.6 | Very high | 63 Ų | 63 | 82.6 Ų | 82.6 | 44% | 0.441 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -86.1 | -21.1 | -175.3 | 64.1 | 0 | 0 | 0 | 0 | 114.6 | K140 L153 V154 | K140-S157 WeakPolarHBondContact CD-O 3.19Å; L153-S157 VanDerWaalsContact O-CB 3.28Å; L153-S157 WeakPolarHBondContact O-CB 3.44Å; L153-S157 PolarHBondContact O-N 3.24Å; V154-S157 PolarHBondContact O-N 3Å; V154-S157 PolarHBondContact O-OG 3.42Å |
| 158 | H | 95.4 | Very high | 95.6 | Very high | 21 Ų | 21 | 77.7 Ų | 77.7 | 10% | 0.097 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -150.4 | 165.9 | -171.2 | 61.4 | -84.6 | 0 | 0 | 0 | 112.8 | F141 C142 C145 V154 C169 | F141-H158 CarbonylContact C-O 3.16Å; F141-H158 PolarHBondContact N-O 3.03Å; C142-H158 VanDerWaalsContact CB-NE2 3.35Å; C142-H158 WeakPolarHBondContact CB-NE2 3.29Å; C142-H158 WeakPolarHBondContact CB-O 3.27Å; C142-H158 PolarHBondContact N-O 2.92Å; C142-H158 PolarHBondContact SG-NE2 3.01Å; C145-H158 VanDerWaalsContact SG-CE1 3.55Å; C145-H158 PolarHBondContact SG-NE2 3.41Å; V154-H158 PolarHBondContact O-CE1 3.35Å; V154-H158 VanDerWaalsContact O-CE1 3.3Å; V154-H158 PolarHBondContact O-ND1 3.24Å; H158-C169 PolarHBondContact NE2-SG 3.39Å |
| 159 | W | 95.9 | Very high | 95.7 | Very high | 131 Ų | 131 | 73.8 Ų | 73.8 | 50% | 0.496 | 41% | 0.414 | S | S | . | . | trans | -93.2 | 150.4 | 173.4 | -63.8 | 70.1 | 0 | 0 | 0 | 109.6 | L168 | W159-L168 HydrophobicContact CB-CD1 4.39Å; W159-L168 WeakPolarHBondContact O-CB 3.21Å | ||
| 160 | L | 96.2 | Very high | 95.7 | Very high | 37 Ų | 37 | 73.4 Ų | 73.4 | 19% | 0.194 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -67.6 | -48.4 | 174.6 | 178.7 | 56.1 | 0 | 0 | 0 | 111.5 | S143 F144 L168 C169 L172 | S143-L160 VanDerWaalsContact OG-CD2 3.25Å; S143-L160 WeakPolarHBondContact OG-CD2 3.16Å; F144-L160 HydrophobicContact CB-CD1 3.57Å; F144-L160 HydrophobicContact CB-CD2 4.3Å; F144-L160 HydrophobicContact CG-CD1 4.42Å; L160-L168 PolarHBondContact O-N 2.7Å; L160-C169 HydrophobicContact CD1-CB 3.87Å; L160-L172 HydrophobicContact CD1-CD2 3.79Å |
| 161 | K | 96.1 | Very high | 95.6 | Very high | 119 Ų | 119 | 74.6 Ų | 74.6 | 52% | 0.517 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -134.3 | 151.3 | -179.7 | -68.3 | 176.3 | -174.5 | -174.4 | 0 | 111.4 | E166 V167 | K161-E166 CarbonylContact C-O 3.57Å; K161-E166 WeakPolarHBondContact CA-O 3.49Å; K161-V167 HydrophobicContact CG-CG2 4.3Å |
| 162 | N | 95 | Very high | 95.7 | Very high | 73 Ų | 73 | 72 Ų | 72 | 39% | 0.39 | 38% | 0.383 | S | S | . | . | trans | -80.8 | 170.7 | 170 | -94 | -17.1 | 0 | 0 | 0 | 112.4 | A164 G165 E166 L168 | N162-A164 PolarHBondContact O-N 2.99Å; N162-G165 PolarHBondContact O-N 3.23Å; N162-E166 PolarHBondContact N-O 3.43Å; N162-L168 HydrophobicContact CB-CG 4.38Å; N162-L168 VanDerWaalsContact CG-CD1 3.46Å; N162-L168 WeakPolarHBondContact ND2-CD2 3.49Å; N162-L168 WeakPolarHBondContact OD1-CD1 3.25Å | ||
| 163 | Q | 93.6 | Very high | 95.8 | Very high | 211 Ų | 211 | 71 Ų | 71 | 99% | 0.986 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -29.9 | 172.7 | -62 | 179.4 | 19.6 | 0 | 0 | 112.5 | G165 | Q163-G165 PolarHBondContact O-N 3.46Š|
| 164 | A | 93.1 | Very high | 95.9 | Very high | 84 Ų | 84 | 71 Ų | 71 | 69% | 0.694 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N162 E166 | N162-A164 PolarHBondContact O-N 2.99Å; A164-E166 VanDerWaalsContact C-N 3.31Å; A164-E166 HydrophobicContact CB-CG 4.41Å; A164-E166 PolarHBondContact O-N 2.78Å |
| 165 | G | 91.7 | Very high | 96 | Very high | 46 Ų | 46 | 73.6 Ų | 73.6 | 47% | 0.474 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 83.4 | -1.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N162 Q163 | N162-G165 PolarHBondContact O-N 3.23Å; Q163-G165 PolarHBondContact O-N 3.46Å |
| 166 | E | 96.1 | Very high | 96 | Very high | 102 Ų | 102 | 75.4 Ų | 75.4 | 48% | 0.477 | 39% | 0.392 | S | S | . | . | trans | -72.3 | 142.5 | 176.8 | -60.4 | -173.9 | 139.2 | 0 | 0 | 112.2 | K161 N162 A164 L168 A185 | K161-E166 CarbonylContact C-O 3.57Å; K161-E166 WeakPolarHBondContact CA-O 3.49Å; N162-E166 PolarHBondContact N-O 3.43Å; A164-E166 VanDerWaalsContact C-N 3.31Å; A164-E166 HydrophobicContact CB-CG 4.41Å; A164-E166 PolarHBondContact O-N 2.78Å; E166-L168 PolarHBondContact O-N 3.05Å; E166-A185 HydrophobicContact CB-CB 4.27Å; E166-A185 HydrophobicContact CG-CB 4.46Å | ||
| 167 | V | 97.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 74 Ų | 74 | 4% | 0.036 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -76 | 123.1 | 177.3 | 178.3 | 0 | 0 | 0 | 0 | 111 | K161 C169 L172 R173 A185 A187 | K161-V167 HydrophobicContact CG-CG2 4.3Å; V167-C169 HydrophobicContact CG1-CB 4.27Å; V167-L172 HydrophobicContact CG1-CB 3.87Å; V167-L172 HydrophobicContact CG1-CD2 3.7Å; V167-L172 HydrophobicContact CG1-CG 3.86Å; V167-L172 HydrophobicContact CG2-CD2 4.12Å; V167-R173 HydrophobicContact CG1-CG 4.03Å; V167-R173 WeakPolarHBondContact O-CD 3Å; V167-A185 PolarHBondContact N-O 2.87Å; V167-A187 VanDerWaalsContact CG2-O 3.29Å; V167-A187 WeakPolarHBondContact CG2-O 3.4Å |
| 168 | L | 96.8 | Very high | 96 | Very high | 61 Ų | 61 | 75.4 Ų | 75.4 | 32% | 0.319 | 39% | 0.385 | S | S | . | . | trans | -96.9 | -28.2 | 175.4 | -78.8 | -165.5 | 0 | 0 | 0 | 113.7 | W159 L160 N162 E166 | W159-L168 HydrophobicContact CB-CD1 4.39Å; W159-L168 WeakPolarHBondContact O-CB 3.21Å; L160-L168 PolarHBondContact O-N 2.7Å; N162-L168 HydrophobicContact CB-CG 4.38Å; N162-L168 VanDerWaalsContact CG-CD1 3.46Å; N162-L168 WeakPolarHBondContact ND2-CD2 3.49Å; N162-L168 WeakPolarHBondContact OD1-CD1 3.25Å; E166-L168 PolarHBondContact O-N 3.05Å | ||
| 169 | C | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 39% | 0.394 | C | S | . | . | trans | -55.9 | 119.2 | -176 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | C145 H158 L160 V167 Y171 L172 R173 | C145-C169 PolarHBondContact SG-SG 3.19Å; H158-C169 PolarHBondContact NE2-SG 3.39Å; L160-C169 HydrophobicContact CD1-CB 3.87Å; V167-C169 HydrophobicContact CG1-CB 4.27Å; C169-Y171 VanDerWaalsContact C-N 3.29Å; C169-Y171 PolarHBondContact O-N 3.09Å; C169-L172 HydrophobicContact CB-CB 4.03Å; C169-L172 PolarHBondContact O-N 3.22Å; C169-R173 WeakPolarHBondContact O-CB 3.25Å; C169-R173 WeakPolarHBondContact O-CG 3.31Å; C169-R173 PolarHBondContact O-N 3.27Å | ||
| 170 | P | 96.9 | Very high | 95.9 | Very high | 58 Ų | 58 | 72.5 Ų | 72.5 | 38% | 0.377 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.1 | -36.4 | -175.5 | 23.9 | -32.8 | 0 | 0 | 0 | 112.4 | R173 Q174 | P170-R173 PolarHBondContact O-N 2.88Å; P170-Q174 WeakPolarHBondContact O-CG 3.44Å; P170-Q174 PolarHBondContact O-N 3.31Å |
| 171 | Y | 97 | Very high | 95.9 | Very high | 92 Ų | 92 | 72.9 Ų | 72.9 | 36% | 0.361 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.1 | -47.7 | 177.3 | -56.8 | -86.3 | 0 | 0 | 0 | 111.9 | C145 V154 C169 R173 Q174 | C145-Y171 WeakPolarHBondContact SG-CD2 3.32Å; V154-Y171 HydrophobicContact CG1-CE2 3.44Å; V154-Y171 VanDerWaalsContact CG1-CE2 3.44Å; V154-Y171 VanDerWaalsContact CG1-OH 3.29Å; V154-Y171 WeakPolarHBondContact CG1-OH 3.11Å; C169-Y171 VanDerWaalsContact C-N 3.29Å; C169-Y171 PolarHBondContact O-N 3.09Å; Y171-R173 VanDerWaalsContact C-N 3.3Å; Y171-R173 PolarHBondContact O-N 3.15Å; Y171-Q174 PolarHBondContact O-N 2.8Å |
| 172 | L | 97.5 | Very high | 95.9 | Very high | 10 Ų | 10 | 68.3 Ų | 68.3 | 5% | 0.052 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.5 | -33.9 | 178.2 | -174.2 | 58.3 | 0 | 0 | 0 | 111.2 | F144 L160 V167 C169 Q174 Y175 A187 T189 | F144-L172 HydrophobicContact CD1-CB 4.01Å; F144-L172 HydrophobicContact CD2-CD1 4.46Å; F144-L172 HydrophobicContact CE1-CB 3.96Å; F144-L172 HydrophobicContact CE1-CD1 4.39Å; F144-L172 HydrophobicContact CE2-CD1 4.02Å; F144-L172 HydrophobicContact CG-CB 4.47Å; F144-L172 HydrophobicContact CZ-CB 4.4Å; F144-L172 HydrophobicContact CZ-CD1 3.97Å; L160-L172 HydrophobicContact CD1-CD2 3.79Å; V167-L172 HydrophobicContact CG1-CB 3.87Å; V167-L172 HydrophobicContact CG1-CD2 3.7Å; V167-L172 HydrophobicContact CG1-CG 3.86Å; V167-L172 HydrophobicContact CG2-CD2 4.12Å; C169-L172 HydrophobicContact CB-CB 4.03Å; C169-L172 PolarHBondContact O-N 3.22Å; L172-Q174 VanDerWaalsContact C-N 3.26Å; L172-Q174 PolarHBondContact O-N 3.09Å; L172-Y175 VanDerWaalsContact O-CB 3.27Å; L172-Y175 WeakPolarHBondContact O-CB 3.32Å; L172-Y175 PolarHBondContact O-N 3.21Å; L172-A187 HydrophobicContact CG-CB 4.27Å; L172-A187 WeakPolarHBondContact O-CB 3.43Å; L172-T189 HydrophobicContact CD1-CG2 4.2Å |
| 173 | R | 97.8 | Very high | 96 | Very high | 119 Ų | 119 | 68.1 Ų | 68.1 | 45% | 0.449 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.2 | -29.3 | 177.5 | -74.1 | -177.6 | 76.1 | -174.6 | 3.2 | 113.5 | V167 C169 P170 Y171 Y175 T183 G184 | V167-R173 HydrophobicContact CG1-CG 4.03Å; V167-R173 WeakPolarHBondContact O-CD 3Å; C169-R173 WeakPolarHBondContact O-CB 3.25Å; C169-R173 WeakPolarHBondContact O-CG 3.31Å; C169-R173 PolarHBondContact O-N 3.27Å; P170-R173 PolarHBondContact O-N 2.88Å; Y171-R173 VanDerWaalsContact C-N 3.3Å; Y171-R173 PolarHBondContact O-N 3.15Å; R173-Y175 VanDerWaalsContact C-N 3.31Å; R173-T183 PolarHBondContact O-OG1 3.41Å; R173-G184 WeakPolarHBondContact CG-O 3.22Å; R173-G184 WeakPolarHBondContact O-CA 3.35Å; R173-G184 PolarHBondContact O-N 3.45Å |
| 174 | Q | 97.1 | Very high | 96.2 | Very high | 151 Ų | 151 | 58.9 Ų | 58.9 | 71% | 0.706 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -78.6 | -17.9 | 175.8 | -67.6 | 169.1 | 13.3 | 0 | 0 | 112.5 | P170 Y171 L172 V176 | P170-Q174 WeakPolarHBondContact O-CG 3.44Å; P170-Q174 PolarHBondContact O-N 3.31Å; Y171-Q174 PolarHBondContact O-N 2.8Å; L172-Q174 VanDerWaalsContact C-N 3.26Å; L172-Q174 PolarHBondContact O-N 3.09Å; Q174-V176 PolarHBondContact O-N 3.04Å |
| 175 | Y | 97.4 | Very high | 96.4 | Very high | 85 Ų | 85 | 56.5 Ų | 56.5 | 33% | 0.333 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -70 | 130.2 | 177.5 | -174.6 | -103.4 | 0 | 0 | 0 | 110.6 | L172 R173 C177 P178 T183 H188 | L172-Y175 VanDerWaalsContact O-CB 3.27Å; L172-Y175 WeakPolarHBondContact O-CB 3.32Å; L172-Y175 PolarHBondContact O-N 3.21Å; R173-Y175 VanDerWaalsContact C-N 3.31Å; Y175-C177 HydrophobicContact CE1-CB 4.48Å; Y175-P178 VanDerWaalsContact OH-CD 3.31Å; Y175-P178 WeakPolarHBondContact OH-CD 3.32Å; Y175-T183 PolarHBondContact O-OG1 3.48Å; Y175-H188 WeakPolarHBondContact CD1-O 3.24Å; Y175-H188 WeakPolarHBondContact CE1-O 3.43Å |
| 176 | V | 97.6 | Very high | 96.6 | Very high | 85 Ų | 85 | 64 Ų | 64 | 52% | 0.515 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -103.2 | 119.3 | 172.1 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | Q174 P178 | Q174-V176 PolarHBondContact O-N 3.04Å; V176-P178 WeakPolarHBondContact O-CD 3.3Å |
| 177 | C | 96.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 123.2 | 178.7 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | Y175 L179 C180 G181 A182 H188 C193 | Y175-C177 HydrophobicContact CE1-CB 4.48Å; C177-L179 PolarHBondContact O-N 3.19Å; C177-C180 PolarHBondContact O-N 3.31Å; C177-G181 VanDerWaalsContact O-CA 3.23Å; C177-G181 WeakPolarHBondContact O-CA 3.42Å; C177-G181 PolarHBondContact O-N 3.49Å; C177-A182 PolarHBondContact N-O 3.31Å; C177-H188 PolarHBondContact SG-NE2 2.92Å; C177-C193 VanDerWaalsContact SG-SG 3.65Å |
| 178 | P | 93.9 | Very high | 96.6 | Very high | 92 Ų | 92 | 60.2 Ų | 60.2 | 60% | 0.597 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -16.1 | -176.8 | 27.8 | -35.8 | 0 | 0 | 0 | 113.6 | Y175 V176 | Y175-P178 VanDerWaalsContact OH-CD 3.31Å; Y175-P178 WeakPolarHBondContact OH-CD 3.32Å; V176-P178 WeakPolarHBondContact O-CD 3.3Å |
| 179 | L | 93.3 | Very high | 96.5 | Very high | 55 Ų | 55 | 59.2 Ų | 59.2 | 29% | 0.288 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -36 | -178.8 | -61.7 | -179.8 | 0 | 0 | 0 | 112.7 | C177 K190 C193 V196 | C177-L179 PolarHBondContact O-N 3.19Å; L179-K190 HydrophobicContact CD1-CG 3.77Å; L179-K190 HydrophobicContact CG-CG 4.25Å; L179-C193 HydrophobicContact CB-CB 4.47Å; L179-C193 HydrophobicContact CD1-CB 4.09Å; L179-V196 HydrophobicContact CD1-CG2 3.73Å |
| 180 | C | 95.1 | Very high | 96.3 | Very high | 36 Ų | 36 | 65.3 Ų | 65.3 | 24% | 0.243 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.3 | -8.4 | -174 | 72.8 | 0 | 0 | 0 | 0 | 115.1 | C177 A182 H188 C193 K195 | C177-C180 PolarHBondContact O-N 3.31Å; C180-A182 PolarHBondContact O-N 2.92Å; C180-A182 VanDerWaalsContact SG-CB 3.52Å; C180-A182 PolarHBondContact SG-N 3.47Å; C180-H188 PolarHBondContact SG-CE1 2.99Å; C180-H188 PolarHBondContact SG-NE2 3.29Å; C180-C193 VanDerWaalsContact SG-SG 3.66Å; C180-K195 HydrophobicContact CB-CB 4.47Å; C180-K195 HydrophobicContact CB-CD 3.57Å; C180-K195 HydrophobicContact CB-CG 3.89Å |
| 181 | G | 95.5 | Very high | 96.1 | Very high | 44 Ų | 44 | 73.1 Ų | 73.1 | 45% | 0.454 | 36% | 0.363 | S | S | . | . | trans | 75.1 | 2.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | C177 | C177-G181 VanDerWaalsContact O-CA 3.23Å; C177-G181 WeakPolarHBondContact O-CA 3.42Å; C177-G181 PolarHBondContact O-N 3.49Å | ||
| 182 | A | 97.2 | Very high | 95.9 | Very high | 24 Ų | 24 | 76.4 Ų | 76.4 | 20% | 0.198 | 38% | 0.38 | C | S | . | . | trans | -65.2 | 138.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C177 C180 R186 | C177-A182 PolarHBondContact N-O 3.31Å; C180-A182 PolarHBondContact O-N 2.92Å; C180-A182 VanDerWaalsContact SG-CB 3.52Å; C180-A182 PolarHBondContact SG-N 3.47Å; A182-R186 HydrophobicContact CB-CB 4.43Å | ||
| 183 | T | 98 | Very high | 95.7 | Very high | 68 Ų | 68 | 76.2 Ų | 76.2 | 42% | 0.417 | 38% | 0.379 | S | S | . | . | trans | -147.7 | 176.4 | -179.2 | -168.4 | 0 | 0 | 0 | 0 | 110.6 | R173 Y175 A185 R186 | R173-T183 PolarHBondContact O-OG1 3.41Å; Y175-T183 PolarHBondContact O-OG1 3.48Å; T183-A185 PolarHBondContact O-N 3.28Å; T183-R186 PolarHBondContact O-N 3.35Å | ||
| 184 | G | 97 | Very high | 95.5 | Very high | 17 Ų | 17 | 75.3 Ų | 75.3 | 18% | 0.175 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | 63.1 | -130.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R173 R186 A187 | R173-G184 WeakPolarHBondContact CG-O 3.22Å; R173-G184 WeakPolarHBondContact O-CA 3.35Å; R173-G184 PolarHBondContact O-N 3.45Å; G184-R186 PolarHBondContact O-N 2.95Å; G184-R186 VanDerWaalsContact O-N 3.16Å; G184-A187 WeakPolarHBondContact O-CB 3.46Å; G184-A187 PolarHBondContact O-N 2.84Å |
| 185 | A | 96.7 | Very high | 95.1 | Very high | 34 Ų | 34 | 73.1 Ų | 73.1 | 28% | 0.281 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -62 | -23.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E166 V167 T183 | E166-A185 HydrophobicContact CB-CB 4.27Å; E166-A185 HydrophobicContact CG-CB 4.46Å; V167-A185 PolarHBondContact N-O 2.87Å; T183-A185 PolarHBondContact O-N 3.28Å |
| 186 | R | 96.1 | Very high | 94.4 | Very high | 204 Ų | 204 | 71 Ų | 71 | 77% | 0.77 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -103.4 | 9.7 | 178.7 | -58.3 | -173 | 69.8 | -177.3 | 2.7 | 113.1 | A182 T183 G184 H188 | A182-R186 HydrophobicContact CB-CB 4.43Å; T183-R186 PolarHBondContact O-N 3.35Å; G184-R186 PolarHBondContact O-N 2.95Å; G184-R186 VanDerWaalsContact O-N 3.16Å; R186-H188 PolarHBondContact O-ND1 3.07Å |
| 187 | A | 97.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 74 Ų | 74 | 3% | 0.033 | 39% | 0.386 | C | S | . | . | trans | -61.6 | 146.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | V167 L172 G184 | V167-A187 VanDerWaalsContact CG2-O 3.29Å; V167-A187 WeakPolarHBondContact CG2-O 3.4Å; L172-A187 HydrophobicContact CG-CB 4.27Å; L172-A187 WeakPolarHBondContact O-CB 3.43Å; G184-A187 WeakPolarHBondContact O-CB 3.46Å; G184-A187 PolarHBondContact O-N 2.84Å | ||
| 188 | H | 95.6 | Very high | 92.1 | Very high | 25 Ų | 25 | 78.8 Ų | 78.8 | 12% | 0.116 | 42% | 0.419 | C | S | . | . | trans | -160.3 | 155.7 | 177.6 | 53.7 | -92.3 | 0 | 0 | 0 | 109.1 | Y175 C177 C180 R186 F192 C193 | Y175-H188 WeakPolarHBondContact CD1-O 3.24Å; Y175-H188 WeakPolarHBondContact CE1-O 3.43Å; C177-H188 PolarHBondContact SG-NE2 2.92Å; C180-H188 PolarHBondContact SG-CE1 2.99Å; C180-H188 PolarHBondContact SG-NE2 3.29Å; R186-H188 PolarHBondContact O-ND1 3.07Å; H188-F192 HydrophobicContact CB-CB 4.22Å; H188-C193 WeakPolarHBondContact CD2-CA 3.45Å; H188-C193 VanDerWaalsContact CD2-CB 3.49Å; H188-C193 WeakPolarHBondContact CD2-CB 3.4Å; H188-C193 WeakPolarHBondContact NE2-CA 3.22Å; H188-C193 WeakPolarHBondContact NE2-CB 3.46Å | ||
| 189 | T | 95.3 | Very high | 90.7 | Very high | 39 Ų | 39 | 77.6 Ų | 77.6 | 24% | 0.239 | 41% | 0.413 | C | S | . | . | trans | -74.9 | 160 | 173.6 | 64.2 | 0 | 0 | 0 | 0 | 110.7 | F144 L172 R191 F192 | F144-T189 HydrophobicContact CE2-CG2 3.83Å; L172-T189 HydrophobicContact CD1-CG2 4.2Å; T189-R191 PolarHBondContact O-N 3.3Å; T189-F192 PolarHBondContact O-N 3.08Å; T189-F192 VanDerWaalsContact OG1-CD2 3.24Å; T189-F192 WeakPolarHBondContact OG1-CD2 3.42Å | ||
| 190 | K | 93.4 | Very high | 89.5 | Confident | 128 Ų | 128 | 83.4 Ų | 83.4 | 56% | 0.557 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -43.5 | -41 | -178.8 | -175.6 | -178.3 | 177.7 | -178.3 | 0 | 113.7 | L179 F192 C193 V196 | L179-K190 HydrophobicContact CD1-CG 3.77Å; L179-K190 HydrophobicContact CG-CG 4.25Å; K190-F192 VanDerWaalsContact C-N 3.35Å; K190-F192 PolarHBondContact O-N 2.84Å; K190-C193 VanDerWaalsContact O-CB 3.32Å; K190-C193 WeakPolarHBondContact O-CB 3.47Å; K190-C193 PolarHBondContact O-N 3.17Å; K190-V196 WeakPolarHBondContact O-CG2 3.39Å |
| 191 | R | 92 | Very high | 88.3 | Confident | 222 Ų | 222 | 86.5 Ų | 86.5 | 84% | 0.838 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -65.6 | -33.5 | -177.3 | -65.3 | -173.1 | 178.6 | -144.1 | 1.3 | 113.8 | T189 C193 | T189-R191 PolarHBondContact O-N 3.3Å; R191-C193 VanDerWaalsContact C-N 3.29Å |
| 192 | F | 92.6 | Very high | 87.2 | Confident | 161 Ų | 161 | 86.1 Ų | 86.1 | 71% | 0.706 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -96.7 | 18 | -179 | -56.7 | -70 | 0 | 0 | 0 | 111.9 | H188 T189 K190 | H188-F192 HydrophobicContact CB-CB 4.22Å; T189-F192 PolarHBondContact O-N 3.08Å; T189-F192 VanDerWaalsContact OG1-CD2 3.24Å; T189-F192 WeakPolarHBondContact OG1-CD2 3.42Å; K190-F192 VanDerWaalsContact C-N 3.35Å; K190-F192 PolarHBondContact O-N 2.84Å |
| 193 | C | 94.5 | Very high | 85.8 | Confident | 6 Ų | 6 | 91.7 Ų | 91.7 | 4% | 0.041 | 48% | 0.476 | C | S | . | . | trans | -79.1 | 129.1 | 178.6 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | C177 L179 C180 H188 K190 R191 K195 V196 | C177-C193 VanDerWaalsContact SG-SG 3.65Å; L179-C193 HydrophobicContact CB-CB 4.47Å; L179-C193 HydrophobicContact CD1-CB 4.09Å; C180-C193 VanDerWaalsContact SG-SG 3.66Å; H188-C193 WeakPolarHBondContact CD2-CA 3.45Å; H188-C193 VanDerWaalsContact CD2-CB 3.49Å; H188-C193 WeakPolarHBondContact CD2-CB 3.4Å; H188-C193 WeakPolarHBondContact NE2-CA 3.22Å; H188-C193 WeakPolarHBondContact NE2-CB 3.46Å; K190-C193 VanDerWaalsContact O-CB 3.32Å; K190-C193 WeakPolarHBondContact O-CB 3.47Å; K190-C193 PolarHBondContact O-N 3.17Å; R191-C193 VanDerWaalsContact C-N 3.29Å; C193-K195 PolarHBondContact O-N 3.14Å; C193-K195 VanDerWaalsContact O-N 3.09Å; C193-K195 PolarHBondContact SG-N 3.18Å; C193-V196 HydrophobicContact CB-CG2 3.83Å; C193-V196 WeakPolarHBondContact O-CB 3.49Å; C193-V196 WeakPolarHBondContact O-CG2 3.5Å; C193-V196 PolarHBondContact O-N 3.13Å | ||
| 194 | P | 92.2 | Very high | 84.7 | Confident | 101 Ų | 101 | 98.6 Ų | 98.6 | 66% | 0.656 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -14 | 178 | 27.7 | -35.5 | 0 | 0 | 0 | 113 | ||
| 195 | K | 89.3 | Confident | 83.3 | Confident | 105 Ų | 105 | 102.1 Ų | 102.1 | 46% | 0.457 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 4.2 | 174.8 | -58.3 | -168.5 | -177.3 | 178.8 | 0 | 113.6 | C180 C193 D197 S198 S199 | C180-K195 HydrophobicContact CB-CB 4.47Å; C180-K195 HydrophobicContact CB-CD 3.57Å; C180-K195 HydrophobicContact CB-CG 3.89Å; C193-K195 PolarHBondContact O-N 3.14Å; C193-K195 VanDerWaalsContact O-N 3.09Å; C193-K195 PolarHBondContact SG-N 3.18Å; K195-D197 VanDerWaalsContact C-N 3.35Å; K195-S198 PolarHBondContact O-N 2.7Å; K195-S199 WeakPolarHBondContact O-CB 3.4Å; K195-S199 PolarHBondContact O-N 3.29Å; K195-S199 PolarHBondContact O-OG 3.22Å |
| 196 | V | 83.2 | Confident | 81.3 | Confident | 39 Ų | 39 | 109.5 Ų | 109.5 | 24% | 0.236 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 177.2 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | L179 K190 C193 S198 S199 Y200 | L179-V196 HydrophobicContact CD1-CG2 3.73Å; K190-V196 WeakPolarHBondContact O-CG2 3.39Å; C193-V196 HydrophobicContact CB-CG2 3.83Å; C193-V196 WeakPolarHBondContact O-CB 3.49Å; C193-V196 WeakPolarHBondContact O-CG2 3.5Å; C193-V196 PolarHBondContact O-N 3.13Å; V196-S198 PolarHBondContact O-N 3.44Å; V196-S199 PolarHBondContact O-N 2.78Å; V196-S199 VanDerWaalsContact O-N 3.09Å; V196-S199 PolarHBondContact O-OG 2.7Å; V196-Y200 WeakPolarHBondContact O-CB 3.38Å; V196-Y200 PolarHBondContact O-N 3.07Å |
| 197 | D | 73.4 | Confident | 80 | Confident | 149 Ų | 149 | 105.9 Ų | 105.9 | 80% | 0.797 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.5 | -25.5 | -178.8 | -56.7 | -31.8 | 0 | 0 | 0 | 112.5 | K195 | K195-D197 VanDerWaalsContact C-N 3.35Å |
| 198 | S | 71.4 | Confident | 78.6 | Confident | 101 Ų | 101 | 117.1 Ų | 117.1 | 71% | 0.706 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -82.7 | -26.6 | 175.6 | 140 | 0 | 0 | 0 | 0 | 113.6 | K195 V196 | K195-S198 PolarHBondContact O-N 2.7Å; V196-S198 PolarHBondContact O-N 3.44Å |
| 199 | S | 66 | Low | 77 | Confident | 68 Ų | 68 | 131 Ų | 131 | 48% | 0.476 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -101.3 | -18.6 | -174.1 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | K195 V196 | K195-S199 WeakPolarHBondContact O-CB 3.4Å; K195-S199 PolarHBondContact O-N 3.29Å; K195-S199 PolarHBondContact O-OG 3.22Å; V196-S199 PolarHBondContact O-N 2.78Å; V196-S199 VanDerWaalsContact O-N 3.09Å; V196-S199 PolarHBondContact O-OG 2.7Å |
| 200 | Y | 67.3 | Low | 76.1 | Confident | 177 Ų | 177 | 135.7 Ų | 135.7 | 69% | 0.694 | 65% | 0.654 | S | S | * | * | trans | -101.6 | 76.6 | 177.9 | -168.3 | -104.5 | 0 | 0 | 0 | 111 | V196 S202 | V196-Y200 WeakPolarHBondContact O-CB 3.38Å; V196-Y200 PolarHBondContact O-N 3.07Å; Y200-S202 PolarHBondContact O-N 2.68Å | ||
| 201 | S | 69.4 | Low | 75.1 | Confident | 100 Ų | 100 | 136.1 Ų | 136.1 | 70% | 0.699 | 66% | 0.659 | S | S | * | * | trans | -77.3 | 102.7 | 162.7 | 177.6 | 0 | 0 | 0 | 0 | 108.2 | V203 | S201-V203 PolarHBondContact O-N 2.88Š| ||
| 202 | S | 73.4 | Confident | 74.2 | Confident | 36 Ų | 36 | 131.3 Ų | 131.3 | 25% | 0.252 | 65% | 0.649 | S | S | . | * | trans | -64.1 | 135.7 | 173.2 | 79 | 0 | 0 | 0 | 0 | 109.9 | Y200 Y204 T205 | Y200-S202 PolarHBondContact O-N 2.68Å; S202-Y204 PolarHBondContact O-N 3.06Å; S202-T205 PolarHBondContact O-N 3.11Å; S202-T205 VanDerWaalsContact O-N 3.11Å; S202-T205 PolarHBondContact O-OG1 3.48Å; S202-T205 VanDerWaalsContact O-OG1 3.06Å; S202-T205 WeakPolarHBondContact OG-CG2 3.35Å; S202-T205 PolarHBondContact OG-N 3.07Å | ||
| 203 | V | 68.2 | Low | 73.1 | Confident | 142 Ų | 142 | 129.5 Ų | 129.5 | 86% | 0.861 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -18.2 | 176.8 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | S201 | S201-V203 PolarHBondContact O-N 2.88Š|
| 204 | Y | 73.3 | Confident | 71.8 | Confident | 213 Ų | 213 | 137.3 Ų | 137.3 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 10.7 | 179.8 | -61.7 | -74.2 | 0 | 0 | 0 | 114.5 | S202 K206 | S202-Y204 PolarHBondContact O-N 3.06Å; Y204-K206 VanDerWaalsContact C-N 3.26Å; Y204-K206 PolarHBondContact O-N 3.03Å |
| 205 | T | 67.4 | Low | 70.4 | Confident | 91 Ų | 91 | 139.7 Ų | 139.7 | 56% | 0.558 | 69% | 0.685 | S | S | * | * | trans | -65.9 | 91.8 | 170.3 | 49.9 | 0 | 0 | 0 | 0 | 109.6 | S202 T207 | S202-T205 PolarHBondContact O-N 3.11Å; S202-T205 VanDerWaalsContact O-N 3.11Å; S202-T205 PolarHBondContact O-OG1 3.48Å; S202-T205 VanDerWaalsContact O-OG1 3.06Å; S202-T205 WeakPolarHBondContact OG-CG2 3.35Å; S202-T205 PolarHBondContact OG-N 3.07Å; T205-T207 PolarHBondContact O-N 2.76Å | ||
| 206 | K | 55 | Low | 69.1 | Low | 189 Ų | 189 | 142.1 Ų | 142.1 | 82% | 0.822 | 70% | 0.702 | S | S | * | * | trans | -58.2 | 106.3 | 176.9 | -175.2 | 171.6 | -176.9 | 169.6 | 0 | 108.6 | Y204 R208 | Y204-K206 VanDerWaalsContact C-N 3.26Å; Y204-K206 PolarHBondContact O-N 3.03Å; K206-R208 PolarHBondContact O-N 3.03Å | ||
| 207 | T | 69.1 | Low | 68 | Low | 128 Ų | 128 | 150.1 Ų | 150.1 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -57 | 111.1 | 168.2 | -25.9 | 0 | 0 | 0 | 0 | 106.8 | T205 R209 | T205-T207 PolarHBondContact O-N 2.76Å; T207-R209 PolarHBondContact O-N 3.14Å; T207-R209 VanDerWaalsContact O-N 3.14Å | ||
| 208 | R | 68.4 | Low | 67.6 | Low | 240 Ų | 240 | 150.2 Ų | 150.2 | 91% | 0.906 | 73% | 0.733 | S | S | * | * | trans | -72.5 | 106.6 | 170.2 | -70.5 | -162.8 | 178 | -152.1 | 2.3 | 106.4 | K206 | K206-R208 PolarHBondContact O-N 3.03Š| ||
| 209 | R | 61.6 | Low | 67.2 | Low | 317 Ų | 317 | 154.6 Ų | 154.6 | 100% | 1.196 | 74% | 0.735 | S | S | * | * | trans | -69.3 | 0 | 163.1 | -77 | -173.6 | -170.9 | 161.6 | 2.4 | 109.6 | T207 | T207-R209 PolarHBondContact O-N 3.14Å; T207-R209 VanDerWaalsContact O-N 3.14Å |
Retrieved 209 of 209 residues in 196.7 ms
(Link to these results)