| 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 | 40.2 | Very low | 35.6 | Very low | 226 Ų | 226 | 148.6 Ų | 148.6 | 100% | 1.113 | 82% | 0.817 | S | S | * | * | 0 | 144.7 | 0 | -67.8 | -56.5 | -174.7 | 0 | 0 | 108 | |||||
| 2 | P | 53.8 | Low | 35.2 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | cis | -98.4 | -158.7 | -13.2 | 6.8 | 17.8 | 0 | 0 | 0 | 109.8 | ||||
| 3 | Q | 34.4 | Very low | 34.6 | Very low | 161 Ų | 161 | 156.3 Ų | 156.3 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | cis | -154.3 | 141.9 | -49.7 | -98.6 | -81.7 | 26.6 | 0 | 0 | 109.2 | ||||
| 4 | R | 40.8 | Very low | 34.1 | Very low | 231 Ų | 231 | 150.8 Ų | 150.8 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | -22.1 | 142.3 | 167.3 | -176 | -174.9 | -69.7 | -175.4 | -4.7 | 120.1 | ||||
| 5 | G | 28.5 | Very low | 34.2 | Very low | 75 Ų | 75 | 151.2 Ų | 151.2 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -173.4 | 126 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 6 | H | 32 | Very low | 34.1 | Very low | 190 Ų | 190 | 148.6 Ų | 148.6 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | trans | -115.1 | 179.4 | 165.1 | -81.2 | -75.9 | 0 | 0 | 0 | 108.1 | ||||
| 7 | P | 47.7 | Very low | 33.9 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | cis | -129.6 | -172.9 | -3.2 | 42.1 | -27 | 0 | 0 | 0 | 113.9 | ||||
| 8 | S | 29.5 | Very low | 33.8 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -179.5 | 168.7 | 133.3 | -80.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 9 | Q | 29.4 | Very low | 33.9 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 72% | 0.724 | 81% | 0.805 | S | S | * | * | trans | -85.4 | 161.6 | -173.5 | -84.9 | 166.7 | -84.6 | 0 | 0 | 115.8 | ||||
| 10 | E | 27.2 | Very low | 33.8 | Very low | 172 Ų | 172 | 147.6 Ų | 147.6 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | 46.5 | 136.5 | 137.6 | -66.7 | 155.9 | -151.6 | 0 | 0 | 121.8 | ||||
| 11 | G | 28.6 | Very low | 33.7 | Very low | 66 Ų | 66 | 145 Ų | 145 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | trans | 166 | 67.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 12 | L | 29.8 | Very low | 33.5 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | trans | 65.1 | 147.7 | 153.1 | -58.2 | 160.4 | 0 | 0 | 0 | 116 | ||||
| 13 | W | 27.7 | Very low | 32.8 | Very low | 248 Ų | 248 | 139.8 Ų | 139.8 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | cis | -134.3 | 132 | 39.1 | -65.2 | 78.8 | 0 | 0 | 0 | 113.9 | ||||
| 14 | A | 27.6 | Very low | 32.8 | Very low | 79 Ų | 79 | 138.2 Ų | 138.2 | 65% | 0.653 | 79% | 0.787 | S | S | * | * | trans | -149.8 | 122.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 15 | L | 35.4 | Very low | 32.6 | Very low | 157 Ų | 157 | 136 Ų | 136 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | 173.6 | 177.2 | 83.8 | -90.7 | 178.5 | 0 | 0 | 0 | 106.1 | |||||
| 16 | P | 32.3 | Very low | 33.1 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | cis | -135.6 | 159.8 | 18.4 | 40.9 | -23.3 | 0 | 0 | 0 | 117.4 | ||||
| 17 | S | 31.4 | Very low | 33.5 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 129.1 | 156.8 | -54.4 | 0 | 0 | 0 | 0 | 109 | ||
| 18 | L | 31.8 | Very low | 33.5 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70 | 152.4 | 172.4 | -90.6 | 87.9 | 0 | 0 | 0 | 111.3 | M20 | L18-M20 PolarHBondContact O-N 3.29Š|
| 19 | P | 36.3 | Very low | 34.6 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -74 | 121.4 | -179.9 | 30.1 | -33.9 | 0 | 0 | 0 | 111.2 | ||
| 20 | M | 32.6 | Very low | 36.2 | Very low | 184 Ų | 184 | 134.7 Ų | 134.7 | 91% | 0.906 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 149.3 | 159.8 | -79 | -67.4 | 172 | 0 | 0 | 109.9 | L18 | L18-M20 PolarHBondContact O-N 3.29Š|
| 21 | A | 31.3 | Very low | 38.4 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 146.9 | -163 | 0 | 0 | 0 | 0 | 0 | 114.5 | G23 | A21-G23 PolarHBondContact O-N 2.83Š|
| 22 | H | 36 | Very low | 40.8 | Very low | 188 Ų | 188 | 130.5 Ų | 130.5 | 87% | 0.87 | 73% | 0.734 | S | S | * | * | trans | -62.4 | 103.5 | 163.6 | -80.4 | -64.9 | 0 | 0 | 0 | 109.7 | ||||
| 23 | G | 38 | Very low | 43.2 | Very low | 50 Ų | 50 | 128.6 Ų | 128.6 | 52% | 0.515 | 72% | 0.724 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 158.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | A21 K25 | A21-G23 PolarHBondContact O-N 2.83Å; G23-K25 PolarHBondContact O-N 3.2Å |
| 24 | P | 35.7 | Very low | 45.7 | Very low | 127 Ų | 127 | 117.8 Ų | 117.8 | 83% | 0.825 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 137.3 | -178.6 | 23.8 | -33.6 | 0 | 0 | 0 | 110.5 | ||
| 25 | K | 35.3 | Very low | 48.1 | Very low | 185 Ų | 185 | 117.5 Ų | 117.5 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 134.1 | 167.7 | -74.5 | 177.1 | 177.8 | 172.6 | 0 | 107.3 | G23 E27 | G23-K25 PolarHBondContact O-N 3.2Å; K25-E27 PolarHBondContact O-N 2.95Å; K25-E27 VanDerWaalsContact O-N 3.13Å |
| 26 | P | 39.1 | Very low | 50.3 | Low | 125 Ų | 125 | 117 Ų | 117 | 81% | 0.812 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -60 | 122.3 | 177.5 | 25 | -33.4 | 0 | 0 | 0 | 109.1 | ||
| 27 | E | 40.7 | Very low | 52.8 | Low | 164 Ų | 164 | 112.9 Ų | 112.9 | 77% | 0.766 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 144.9 | 177.5 | -66.5 | 172.3 | 162.8 | 0 | 0 | 109.5 | K25 E29 | K25-E27 PolarHBondContact O-N 2.95Å; K25-E27 VanDerWaalsContact O-N 3.13Å; E27-E29 PolarHBondContact O-N 3.16Å |
| 28 | T | 48.3 | Very low | 55.6 | Low | 104 Ų | 104 | 110.5 Ų | 110.5 | 64% | 0.638 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -4 | -166.3 | 33.6 | 0 | 0 | 0 | 0 | 115 | ||
| 29 | E | 52.2 | Low | 58.3 | Low | 184 Ų | 184 | 111.1 Ų | 111.1 | 86% | 0.86 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -10.2 | -169.8 | -51.5 | -161.4 | 146 | 0 | 0 | 114.3 | E27 | E27-E29 PolarHBondContact O-N 3.16Š|
| 30 | G | 62.2 | Low | 60.9 | Low | 53 Ų | 53 | 112.1 Ų | 112.1 | 55% | 0.546 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -89.3 | -15.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | L101 | G30-L101 WeakPolarHBondContact O-CD1 3.2Š|
| 31 | L | 73.4 | Confident | 63.5 | Low | 65 Ų | 65 | 107.6 Ų | 107.6 | 34% | 0.34 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -82.6 | 140.1 | -168.6 | -76.8 | 157.5 | 0 | 0 | 0 | 113 | L101 A104 S105 | L31-L101 HydrophobicContact CD2-CD1 4.24Å; L31-A104 HydrophobicContact CD2-CB 3.99Å; L31-S105 WeakPolarHBondContact CD2-OG 3.42Å |
| 32 | L | 79.8 | Confident | 66.1 | Low | 84 Ų | 84 | 104.9 Ų | 104.9 | 44% | 0.44 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -74.2 | 132.1 | 174.5 | -62.2 | 171.9 | 0 | 0 | 0 | 109.8 | L34 L101 V102 S105 | L32-L34 HydrophobicContact CB-CD2 4.44Å; L32-L34 HydrophobicContact CB-CG 4.44Å; L32-L101 HydrophobicContact CD1-CD2 4.29Å; L32-L101 HydrophobicContact CD1-CG 4.45Å; L32-L101 HydrophobicContact CG-CD2 4Å; L32-L101 HydrophobicContact CG-CG 4.28Å; L32-V102 HydrophobicContact CD1-CG2 3.78Å; L32-S105 PolarHBondContact N-OG 2.86Å; L32-S105 WeakPolarHBondContact O-CB 3.26Å; L32-S105 PolarHBondContact O-OG 2.87Å |
| 33 | D | 80.3 | Confident | 68.7 | Low | 109 Ų | 109 | 102.7 Ų | 102.7 | 58% | 0.583 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 132.4 | 163.1 | -173.9 | 25 | 0 | 0 | 0 | 109.8 | S35 F36 | D33-S35 VanDerWaalsContact CG-OG 3.27Å; D33-S35 WeakPolarHBondContact OD1-CB 3.27Å; D33-S35 PolarHBondContact OD1-N 3.08Å; D33-S35 PolarHBondContact OD1-OG 3.42Å; D33-S35 WeakPolarHBondContact OD2-CB 3.41Å; D33-S35 PolarHBondContact OD2-OG 2.79Å; D33-F36 VanDerWaalsContact O-CE1 3.3Å; D33-F36 WeakPolarHBondContact O-CE1 3.37Å |
| 34 | L | 80.4 | Confident | 71.2 | Confident | 22 Ų | 22 | 103.3 Ų | 103.3 | 12% | 0.115 | 55% | 0.553 | C | S | . | * | trans | -132.5 | 22.5 | 177.8 | -59.4 | 177.6 | 0 | 0 | 0 | 110.3 | L32 F36 L37 V102 M106 K109 | L32-L34 HydrophobicContact CB-CD2 4.44Å; L32-L34 HydrophobicContact CB-CG 4.44Å; L34-F36 VanDerWaalsContact C-N 3.31Å; L34-F36 PolarHBondContact O-N 2.69Å; L34-L37 HydrophobicContact CB-CD1 4.08Å; L34-L37 HydrophobicContact CD2-CD1 3.96Å; L34-L37 HydrophobicContact CG-CD1 4.44Å; L34-V102 HydrophobicContact CD1-CG1 4.31Å; L34-M106 HydrophobicContact CD1-CG 3.74Å; L34-K109 PolarHBondContact O-NZ 2.65Å | ||
| 35 | S | 76.8 | Confident | 73.8 | Confident | 72 Ų | 72 | 99.7 Ų | 99.7 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -43.4 | 177.3 | 63.3 | 0 | 0 | 0 | 0 | 112 | D33 L37 K109 | D33-S35 VanDerWaalsContact CG-OG 3.27Å; D33-S35 WeakPolarHBondContact OD1-CB 3.27Å; D33-S35 PolarHBondContact OD1-N 3.08Å; D33-S35 PolarHBondContact OD1-OG 3.42Å; D33-S35 WeakPolarHBondContact OD2-CB 3.41Å; D33-S35 PolarHBondContact OD2-OG 2.79Å; S35-L37 PolarHBondContact O-N 3.36Å; S35-K109 PolarHBondContact O-NZ 3.18Å |
| 36 | F | 82.9 | Confident | 76.3 | Confident | 148 Ų | 148 | 92.4 Ų | 92.4 | 65% | 0.649 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -21.3 | -174.7 | 58.3 | -94.2 | 0 | 0 | 0 | 115.4 | D33 L34 | D33-F36 VanDerWaalsContact O-CE1 3.3Å; D33-F36 WeakPolarHBondContact O-CE1 3.37Å; L34-F36 VanDerWaalsContact C-N 3.31Å; L34-F36 PolarHBondContact O-N 2.69Å |
| 37 | L | 84.6 | Confident | 78.8 | Confident | 22 Ų | 22 | 87.5 Ų | 87.5 | 12% | 0.115 | 47% | 0.473 | C | S | . | . | trans | -67.4 | 138.2 | -175.8 | -65.6 | -179.8 | 0 | 0 | 0 | 113.2 | L34 S35 E41 Q42 I45 K109 | L34-L37 HydrophobicContact CB-CD1 4.08Å; L34-L37 HydrophobicContact CD2-CD1 3.96Å; L34-L37 HydrophobicContact CG-CD1 4.44Å; S35-L37 PolarHBondContact O-N 3.36Å; L37-E41 VanDerWaalsContact CA-OE2 3.26Å; L37-E41 WeakPolarHBondContact CA-OE2 3.19Å; L37-E41 HydrophobicContact CB-CB 4.34Å; L37-E41 HydrophobicContact CD2-CB 4.17Å; L37-E41 WeakPolarHBondContact CD2-OE2 3.33Å; L37-Q42 HydrophobicContact CB-CG 3.74Å; L37-Q42 HydrophobicContact CD1-CG 4.05Å; L37-I45 HydrophobicContact CD1-CD1 3.62Å; L37-I45 HydrophobicContact CD2-CD1 4.47Å; L37-K109 PolarHBondContact O-NZ 2.91Å | ||
| 38 | T | 90.8 | Very high | 81.3 | Confident | 63 Ų | 63 | 82.7 Ų | 82.7 | 39% | 0.387 | 46% | 0.455 | S | S | . | . | trans | -70.8 | 168.5 | 171.4 | 85.2 | 0 | 0 | 0 | 0 | 112.1 | E40 E41 Q42 | T38-E40 VanDerWaalsContact C-N 3.35Å; T38-E40 VanDerWaalsContact CB-OE2 3.25Å; T38-E40 WeakPolarHBondContact CB-OE2 3.44Å; T38-E40 PolarHBondContact OG1-N 2.73Å; T38-E40 PolarHBondContact OG1-OE2 2.83Å; T38-E41 HydrophobicContact CG2-CG 4.47Å; T38-E41 PolarHBondContact N-OE2 3.25Å; T38-E41 PolarHBondContact O-N 2.88Å; T38-E41 PolarHBondContact OG1-N 2.84Å; T38-Q42 WeakPolarHBondContact O-CB 3.36Å; T38-Q42 VanDerWaalsContact O-CG 3.3Å; T38-Q42 WeakPolarHBondContact O-CG 3.45Å; T38-Q42 PolarHBondContact O-N 3.36Å | ||
| 39 | E | 87.5 | Confident | 83.3 | Confident | 166 Ų | 166 | 78.6 Ų | 78.6 | 78% | 0.776 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.9 | -35.6 | 176.6 | -167.9 | 158.3 | -159.4 | 0 | 0 | 111.6 | Q42 E43 | E39-Q42 PolarHBondContact O-N 2.88Å; E39-E43 PolarHBondContact O-N 3.43Å |
| 40 | E | 90.3 | Very high | 85.1 | Confident | 145 Ų | 145 | 76.9 Ų | 76.9 | 68% | 0.678 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -67.6 | -42.1 | 174.8 | -50.3 | 98 | 156.5 | 0 | 0 | 112.3 | T38 Q42 E43 A44 | T38-E40 VanDerWaalsContact C-N 3.35Å; T38-E40 VanDerWaalsContact CB-OE2 3.25Å; T38-E40 WeakPolarHBondContact CB-OE2 3.44Å; T38-E40 PolarHBondContact OG1-N 2.73Å; T38-E40 PolarHBondContact OG1-OE2 2.83Å; E40-Q42 VanDerWaalsContact C-N 3.33Å; E40-Q42 PolarHBondContact O-N 3.32Å; E40-E43 PolarHBondContact O-N 2.53Å; E40-A44 WeakPolarHBondContact O-CB 3.46Å; E40-A44 PolarHBondContact O-N 2.95Å |
| 41 | E | 87.6 | Confident | 86.5 | Confident | 88 Ų | 88 | 81.8 Ų | 81.8 | 41% | 0.411 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 176 | -68.5 | 178.2 | 137.9 | 0 | 0 | 111.5 | L37 T38 A44 I45 | L37-E41 VanDerWaalsContact CA-OE2 3.26Å; L37-E41 WeakPolarHBondContact CA-OE2 3.19Å; L37-E41 HydrophobicContact CB-CB 4.34Å; L37-E41 HydrophobicContact CD2-CB 4.17Å; L37-E41 WeakPolarHBondContact CD2-OE2 3.33Å; T38-E41 HydrophobicContact CG2-CG 4.47Å; T38-E41 PolarHBondContact N-OE2 3.25Å; T38-E41 PolarHBondContact O-N 2.88Å; T38-E41 PolarHBondContact OG1-N 2.84Å; E41-A44 PolarHBondContact O-N 2.83Å; E41-I45 WeakPolarHBondContact O-CD1 3.28Å; E41-I45 VanDerWaalsContact O-CG1 3.26Å; E41-I45 WeakPolarHBondContact O-CG1 3.41Å; E41-I45 PolarHBondContact O-N 3.31Å |
| 42 | Q | 87.2 | Confident | 87.1 | Confident | 39 Ų | 39 | 81.2 Ų | 81.2 | 18% | 0.182 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 176.9 | -72.9 | -165 | -25.2 | 0 | 0 | 112.5 | L37 T38 E39 E40 I45 A46 M106 K109 | L37-Q42 HydrophobicContact CB-CG 3.74Å; L37-Q42 HydrophobicContact CD1-CG 4.05Å; T38-Q42 WeakPolarHBondContact O-CB 3.36Å; T38-Q42 VanDerWaalsContact O-CG 3.3Å; T38-Q42 WeakPolarHBondContact O-CG 3.45Å; T38-Q42 PolarHBondContact O-N 3.36Å; E39-Q42 PolarHBondContact O-N 2.88Å; E40-Q42 VanDerWaalsContact C-N 3.33Å; E40-Q42 PolarHBondContact O-N 3.32Å; Q42-I45 PolarHBondContact O-N 3.18Å; Q42-A46 WeakPolarHBondContact O-CB 3.31Å; Q42-A46 PolarHBondContact O-N 2.91Å; Q42-M106 HydrophobicContact CB-CE 4.23Å; Q42-M106 WeakPolarHBondContact O-CE 3.4Å; Q42-K109 VanDerWaalsContact NE2-CD 3.34Å |
| 43 | E | 89 | Confident | 87.5 | Confident | 141 Ų | 141 | 79 Ų | 79 | 66% | 0.659 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -68.5 | -37.5 | 176.7 | -165.9 | 60.2 | -156.2 | 0 | 0 | 111.6 | E39 E40 I45 A46 G47 | E39-E43 PolarHBondContact O-N 3.43Å; E40-E43 PolarHBondContact O-N 2.53Å; E43-I45 PolarHBondContact O-N 3.17Å; E43-A46 PolarHBondContact O-N 3.32Å; E43-G47 PolarHBondContact O-N 2.9Å |
| 44 | A | 90.7 | Very high | 88 | Confident | 63 Ų | 63 | 82.4 Ų | 82.4 | 52% | 0.521 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E40 E41 G47 V48 | E40-A44 WeakPolarHBondContact O-CB 3.46Å; E40-A44 PolarHBondContact O-N 2.95Å; E41-A44 PolarHBondContact O-N 2.83Å; A44-G47 PolarHBondContact O-N 2.95Å; A44-V48 PolarHBondContact O-N 2.97Å |
| 45 | I | 90.3 | Very high | 88.4 | Confident | 52 Ų | 52 | 86.7 Ų | 86.7 | 27% | 0.267 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 176.2 | -66.8 | 163 | 0 | 0 | 0 | 111 | L37 E41 Q42 E43 G47 V48 L49 V102 M106 | L37-I45 HydrophobicContact CD1-CD1 3.62Å; L37-I45 HydrophobicContact CD2-CD1 4.47Å; E41-I45 WeakPolarHBondContact O-CD1 3.28Å; E41-I45 VanDerWaalsContact O-CG1 3.26Å; E41-I45 WeakPolarHBondContact O-CG1 3.41Å; E41-I45 PolarHBondContact O-N 3.31Å; Q42-I45 PolarHBondContact O-N 3.18Å; E43-I45 PolarHBondContact O-N 3.17Å; I45-G47 VanDerWaalsContact C-N 3.32Å; I45-G47 PolarHBondContact O-N 3.04Å; I45-V48 WeakPolarHBondContact O-CB 3.39Å; I45-V48 PolarHBondContact O-N 3.01Å; I45-L49 HydrophobicContact CG2-CD1 4.09Å; I45-L49 HydrophobicContact CG2-CG 4.38Å; I45-L49 WeakPolarHBondContact O-CG 3.35Å; I45-L49 PolarHBondContact O-N 2.68Å; I45-V102 HydrophobicContact CG2-CG1 3.85Å; I45-M106 HydrophobicContact CB-CE 4.31Å; I45-M106 HydrophobicContact CB-SD 4.37Å; I45-M106 HydrophobicContact CG2-CE 4.2Å; I45-M106 HydrophobicContact CG2-SD 3.62Å |
| 46 | A | 88.9 | Confident | 88.7 | Confident | 31 Ų | 31 | 87 Ų | 87 | 26% | 0.256 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q42 E43 V48 L49 Q50 M106 | Q42-A46 WeakPolarHBondContact O-CB 3.31Å; Q42-A46 PolarHBondContact O-N 2.91Å; E43-A46 PolarHBondContact O-N 3.32Å; A46-V48 VanDerWaalsContact C-N 3.32Å; A46-V48 PolarHBondContact O-N 2.88Å; A46-L49 PolarHBondContact O-N 2.76Å; A46-Q50 WeakPolarHBondContact O-CB 3.29Å; A46-Q50 PolarHBondContact O-N 3.05Å; A46-M106 HydrophobicContact CB-CE 4.12Å |
| 47 | G | 90.8 | Very high | 89 | Confident | 23 Ų | 23 | 86.8 Ų | 86.8 | 24% | 0.237 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.6 | -27.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E43 A44 I45 R51 | E43-G47 PolarHBondContact O-N 2.9Å; A44-G47 PolarHBondContact O-N 2.95Å; I45-G47 VanDerWaalsContact C-N 3.32Å; I45-G47 PolarHBondContact O-N 3.04Å; G47-R51 WeakPolarHBondContact O-CG 3.47Å; G47-R51 PolarHBondContact O-N 2.81Å; G47-R51 PolarHBondContact O-NE 2.89Å |
| 48 | V | 93.8 | Very high | 89.3 | Confident | 63 Ų | 63 | 91 Ų | 91 | 38% | 0.382 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.2 | -55.3 | 166.1 | 175.9 | 0 | 0 | 0 | 0 | 110 | A44 I45 A46 Q50 R51 D52 | A44-V48 PolarHBondContact O-N 2.97Å; I45-V48 WeakPolarHBondContact O-CB 3.39Å; I45-V48 PolarHBondContact O-N 3.01Å; A46-V48 VanDerWaalsContact C-N 3.32Å; A46-V48 PolarHBondContact O-N 2.88Å; V48-Q50 PolarHBondContact O-N 2.82Å; V48-Q50 VanDerWaalsContact O-N 3.1Å; V48-R51 VanDerWaalsContact CG2-NH2 3.31Å; V48-R51 PolarHBondContact O-N 2.79Å; V48-D52 PolarHBondContact O-N 2.98Å |
| 49 | L | 90.1 | Very high | 89.1 | Confident | 17 Ų | 17 | 91.6 Ų | 91.6 | 9% | 0.089 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -60.8 | -24.7 | -175.4 | -69.2 | 174.3 | 0 | 0 | 0 | 114.4 | I45 A46 A53 S99 V102 R103 M106 | I45-L49 HydrophobicContact CG2-CD1 4.09Å; I45-L49 HydrophobicContact CG2-CG 4.38Å; I45-L49 WeakPolarHBondContact O-CG 3.35Å; I45-L49 PolarHBondContact O-N 2.68Å; A46-L49 PolarHBondContact O-N 2.76Å; L49-A53 WeakPolarHBondContact O-CB 3.42Å; L49-A53 PolarHBondContact O-N 2.89Å; L49-S99 WeakPolarHBondContact CD2-O 3.4Å; L49-V102 HydrophobicContact CD1-CG1 4.01Å; L49-R103 HydrophobicContact CD1-CB 4.19Å; L49-R103 PolarHBondContact O-NH2 3.38Å; L49-M106 HydrophobicContact CD1-SD 3.67Å |
| 50 | Q | 89.8 | Confident | 89.1 | Confident | 149 Ų | 149 | 90.4 Ų | 90.4 | 70% | 0.696 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -79.1 | -40.7 | 173.3 | -168.3 | -175.9 | 27.8 | 0 | 0 | 112.3 | A46 V48 A53 R54 | A46-Q50 WeakPolarHBondContact O-CB 3.29Å; A46-Q50 PolarHBondContact O-N 3.05Å; V48-Q50 PolarHBondContact O-N 2.82Å; V48-Q50 VanDerWaalsContact O-N 3.1Å; Q50-A53 PolarHBondContact O-N 2.91Å; Q50-R54 PolarHBondContact O-N 3.49Å |
| 51 | R | 91.1 | Very high | 89.1 | Confident | 155 Ų | 155 | 85 Ų | 85 | 59% | 0.585 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.7 | -45.5 | 173.6 | -76.6 | 178.2 | -71.6 | 152.9 | -5.9 | 110.9 | G47 V48 A53 R54 L55 | G47-R51 WeakPolarHBondContact O-CG 3.47Å; G47-R51 PolarHBondContact O-N 2.81Å; G47-R51 PolarHBondContact O-NE 2.89Å; V48-R51 VanDerWaalsContact CG2-NH2 3.31Å; V48-R51 PolarHBondContact O-N 2.79Å; R51-A53 VanDerWaalsContact C-N 3.32Å; R51-A53 PolarHBondContact O-N 3.28Å; R51-R54 PolarHBondContact O-N 3.2Å; R51-L55 WeakPolarHBondContact O-CG 3.49Å; R51-L55 PolarHBondContact O-N 3.42Å |
| 52 | D | 87.4 | Confident | 89.4 | Confident | 54 Ų | 54 | 85.5 Ų | 85.5 | 29% | 0.289 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -56.1 | -44.5 | 173.5 | -82.7 | 24.7 | 0 | 0 | 0 | 112.2 | V48 L55 R56 | V48-D52 PolarHBondContact O-N 2.98Å; D52-L55 PolarHBondContact O-N 3.25Å; D52-R56 WeakPolarHBondContact O-CG 3.43Å; D52-R56 PolarHBondContact O-N 3.31Å |
| 53 | A | 86.4 | Confident | 89.4 | Confident | 38 Ų | 38 | 84.6 Ų | 84.6 | 31% | 0.314 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L49 Q50 R51 R56 Q57 | L49-A53 WeakPolarHBondContact O-CB 3.42Å; L49-A53 PolarHBondContact O-N 2.89Å; Q50-A53 PolarHBondContact O-N 2.91Å; R51-A53 VanDerWaalsContact C-N 3.32Å; R51-A53 PolarHBondContact O-N 3.28Å; A53-R56 PolarHBondContact O-N 3.01Å; A53-Q57 PolarHBondContact O-N 2.81Å; A53-Q57 VanDerWaalsContact O-N 3.1Å |
| 54 | R | 90.9 | Very high | 89.5 | Confident | 180 Ų | 180 | 81.7 Ų | 81.7 | 68% | 0.679 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64.6 | -42.3 | 175 | -176.9 | 179.8 | 177.1 | -173.3 | -1.1 | 111.9 | Q50 R51 Q57 L58 | Q50-R54 PolarHBondContact O-N 3.49Å; R51-R54 PolarHBondContact O-N 3.2Å; R54-Q57 PolarHBondContact O-N 3.22Å; R54-L58 HydrophobicContact CG-CD1 4.41Å; R54-L58 WeakPolarHBondContact O-CG 3.42Å; R54-L58 PolarHBondContact O-N 3.38Å; R54-L58 VanDerWaalsContact O-N 3.12Å |
| 55 | L | 88.6 | Confident | 89.6 | Confident | 111 Ų | 111 | 86 Ų | 86 | 58% | 0.581 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 176.1 | -72.4 | 171.2 | 0 | 0 | 0 | 111.1 | R51 D52 Q57 L58 E59 | R51-L55 WeakPolarHBondContact O-CG 3.49Å; R51-L55 PolarHBondContact O-N 3.42Å; D52-L55 PolarHBondContact O-N 3.25Å; L55-Q57 PolarHBondContact O-N 3.22Å; L55-L58 PolarHBondContact O-N 3.18Å; L55-E59 VanDerWaalsContact O-CB 3.27Å; L55-E59 WeakPolarHBondContact O-CB 3.03Å; L55-E59 PolarHBondContact O-N 2.91Å |
| 56 | R | 84.9 | Confident | 89.6 | Confident | 80 Ų | 80 | 84.9 Ų | 84.9 | 30% | 0.302 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 174.9 | -73.1 | -178.6 | -158.7 | 173.4 | 11.5 | 113.1 | D52 A53 E59 E60 F97 S99 D100 | D52-R56 WeakPolarHBondContact O-CG 3.43Å; D52-R56 PolarHBondContact O-N 3.31Å; A53-R56 PolarHBondContact O-N 3.01Å; R56-E59 PolarHBondContact O-N 3.09Å; R56-E60 VanDerWaalsContact O-CB 3.23Å; R56-E60 WeakPolarHBondContact O-CB 3.34Å; R56-E60 PolarHBondContact O-N 2.77Å; R56-F97 VanDerWaalsContact NH2-CD1 3.31Å; R56-S99 PolarHBondContact NH1-OG 2.7Å; R56-S99 PolarHBondContact NH2-OG 2.9Å; R56-D100 IonicContact NH1-OD1 2.81Å; R56-D100 PolarHBondContact NH1-OD1 3.02Å; R56-D100 IonicContact NH1-OD2 2.94Å; R56-D100 PolarHBondContact NH1-OD2 3.34Å |
| 57 | Q | 89.3 | Confident | 89.6 | Confident | 142 Ų | 142 | 90.2 Ų | 90.2 | 66% | 0.664 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65.9 | -38.6 | 176.8 | -74.5 | -173.2 | -42.7 | 0 | 0 | 113 | A53 R54 L55 E59 G61 | A53-Q57 PolarHBondContact O-N 2.81Å; A53-Q57 VanDerWaalsContact O-N 3.1Å; R54-Q57 PolarHBondContact O-N 3.22Å; L55-Q57 PolarHBondContact O-N 3.22Å; Q57-E59 VanDerWaalsContact C-N 3.34Å; Q57-G61 PolarHBondContact O-N 2.93Å; Q57-G61 VanDerWaalsContact O-N 3.08Å |
| 58 | L | 89.6 | Confident | 89.6 | Confident | 110 Ų | 110 | 93.4 Ų | 93.4 | 58% | 0.576 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66.1 | -40 | 174.5 | -68.2 | 172 | 0 | 0 | 0 | 111.4 | R54 L55 G61 R62 | R54-L58 HydrophobicContact CG-CD1 4.41Å; R54-L58 WeakPolarHBondContact O-CG 3.42Å; R54-L58 PolarHBondContact O-N 3.38Å; R54-L58 VanDerWaalsContact O-N 3.12Å; L55-L58 PolarHBondContact O-N 3.18Å; L58-G61 CarbonylContact O-C 3.35Å; L58-G61 PolarHBondContact O-N 3.09Å; L58-R62 PolarHBondContact O-N 2.99Å |
| 59 | E | 87.3 | Confident | 89.4 | Confident | 77 Ų | 77 | 94.7 Ų | 94.7 | 36% | 0.36 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.4 | -41.6 | 179.7 | -178.3 | 59 | -169.9 | 0 | 0 | 112.6 | L55 R56 Q57 G61 R62 V63 | L55-E59 VanDerWaalsContact O-CB 3.27Å; L55-E59 WeakPolarHBondContact O-CB 3.03Å; L55-E59 PolarHBondContact O-N 2.91Å; R56-E59 PolarHBondContact O-N 3.09Å; Q57-E59 VanDerWaalsContact C-N 3.34Å; E59-G61 VanDerWaalsContact C-N 3.28Å; E59-G61 PolarHBondContact O-N 3.32Å; E59-R62 CarbonylContact O-C 3.55Å; E59-R62 WeakPolarHBondContact O-CA 3.4Å; E59-R62 WeakPolarHBondContact O-CB 3.14Å; E59-R62 PolarHBondContact O-N 2.87Å; E59-R62 IonicContact OE1-CZ 2.72Å; E59-R62 IonicContact OE1-NE 3.47Å; E59-R62 PolarHBondContact OE1-NE 3.32Å; E59-R62 IonicContact OE1-NH2 3.37Å; E59-R62 PolarHBondContact OE1-NH2 2.84Å; E59-R62 IonicContact OE2-CZ 3.51Å; E59-R62 IonicContact OE2-NE 3.18Å; E59-R62 PolarHBondContact OE2-NE 2.94Å; E59-R62 IonicContact OE2-NH2 3.79Å; E59-V63 WeakPolarHBondContact O-CB 3.23Å; E59-V63 WeakPolarHBondContact O-CG2 3.36Å; E59-V63 PolarHBondContact O-N 2.82Å |
| 60 | E | 87.2 | Confident | 89.4 | Confident | 140 Ų | 140 | 95.4 Ų | 95.4 | 65% | 0.654 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58.9 | -41.2 | 170.5 | -177.4 | 173.8 | -154.8 | 0 | 0 | 110.9 | R56 R62 V63 S64 | R56-E60 VanDerWaalsContact O-CB 3.23Å; R56-E60 WeakPolarHBondContact O-CB 3.34Å; R56-E60 PolarHBondContact O-N 2.77Å; E60-R62 VanDerWaalsContact C-N 3.3Å; E60-R62 PolarHBondContact O-N 2.9Å; E60-V63 PolarHBondContact O-N 3.35Å; E60-S64 WeakPolarHBondContact O-CB 3.28Å; E60-S64 PolarHBondContact O-N 2.88Å |
| 61 | G | 89.9 | Confident | 89.2 | Confident | 32 Ų | 32 | 93.3 Ų | 93.3 | 33% | 0.33 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.8 | -25.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q57 L58 E59 K65 | Q57-G61 PolarHBondContact O-N 2.93Å; Q57-G61 VanDerWaalsContact O-N 3.08Å; L58-G61 CarbonylContact O-C 3.35Å; L58-G61 PolarHBondContact O-N 3.09Å; E59-G61 VanDerWaalsContact C-N 3.28Å; E59-G61 PolarHBondContact O-N 3.32Å; G61-K65 WeakPolarHBondContact O-CD 3.39Å; G61-K65 VanDerWaalsContact O-CG 3.3Å; G61-K65 WeakPolarHBondContact O-CG 3.25Å |
| 62 | R | 93.3 | Very high | 89.2 | Confident | 99 Ų | 99 | 89 Ų | 89 | 37% | 0.374 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -78.7 | -49 | 173 | -170.6 | -171.1 | 73 | 84.6 | 8.7 | 110.9 | L58 E59 E60 S64 K65 L66 L79 | L58-R62 PolarHBondContact O-N 2.99Å; E59-R62 CarbonylContact O-C 3.55Å; E59-R62 WeakPolarHBondContact O-CA 3.4Å; E59-R62 WeakPolarHBondContact O-CB 3.14Å; E59-R62 PolarHBondContact O-N 2.87Å; E59-R62 IonicContact OE1-CZ 2.72Å; E59-R62 IonicContact OE1-NE 3.47Å; E59-R62 PolarHBondContact OE1-NE 3.32Å; E59-R62 IonicContact OE1-NH2 3.37Å; E59-R62 PolarHBondContact OE1-NH2 2.84Å; E59-R62 IonicContact OE2-CZ 3.51Å; E59-R62 IonicContact OE2-NE 3.18Å; E59-R62 PolarHBondContact OE2-NE 2.94Å; E59-R62 IonicContact OE2-NH2 3.79Å; E60-R62 VanDerWaalsContact C-N 3.3Å; E60-R62 PolarHBondContact O-N 2.9Å; R62-S64 PolarHBondContact O-N 2.77Å; R62-K65 PolarHBondContact O-N 2.91Å; R62-L66 VanDerWaalsContact NH1-CD1 3.26Å; R62-L66 PolarHBondContact O-N 3.31Å; R62-L79 VanDerWaalsContact CZ-O 3.32Å; R62-L79 PolarHBondContact NH1-O 3.2Å; R62-L79 PolarHBondContact NH2-O 2.9Å |
| 63 | V | 88.9 | Confident | 89 | Confident | 20 Ų | 20 | 91.2 Ų | 91.2 | 12% | 0.121 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 177.9 | 168 | 0 | 0 | 0 | 0 | 111.3 | E59 E60 K65 L66 R67 T80 | E59-V63 WeakPolarHBondContact O-CB 3.23Å; E59-V63 WeakPolarHBondContact O-CG2 3.36Å; E59-V63 PolarHBondContact O-N 2.82Å; E60-V63 PolarHBondContact O-N 3.35Å; V63-K65 PolarHBondContact O-N 2.86Å; V63-L66 PolarHBondContact O-N 3.49Å; V63-R67 HydrophobicContact CG1-CG 4.42Å; V63-R67 WeakPolarHBondContact O-CB 3.5Å; V63-R67 WeakPolarHBondContact O-CG 3.39Å; V63-R67 PolarHBondContact O-N 3.24Å; V63-T80 HydrophobicContact CB-CG2 4.47Å; V63-T80 HydrophobicContact CG1-CG2 3.9Å; V63-T80 HydrophobicContact CG2-CG2 4.4Å |
| 64 | S | 91.1 | Very high | 88.9 | Confident | 79 Ų | 79 | 91.2 Ų | 91.2 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.3 | -42.2 | 176 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | E60 R62 A68 | E60-S64 WeakPolarHBondContact O-CB 3.28Å; E60-S64 PolarHBondContact O-N 2.88Å; R62-S64 PolarHBondContact O-N 2.77Å; S64-A68 PolarHBondContact O-N 3.47Å |
| 65 | K | 91.5 | Very high | 88.4 | Confident | 155 Ų | 155 | 88.1 Ų | 88.1 | 67% | 0.674 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.2 | -44 | 174.2 | -70.2 | 171.6 | -168.2 | 179.8 | 0 | 112.1 | G61 R62 V63 R67 A68 S69 | G61-K65 WeakPolarHBondContact O-CD 3.39Å; G61-K65 VanDerWaalsContact O-CG 3.3Å; G61-K65 WeakPolarHBondContact O-CG 3.25Å; R62-K65 PolarHBondContact O-N 2.91Å; V63-K65 PolarHBondContact O-N 2.86Å; K65-R67 PolarHBondContact O-N 2.9Å; K65-A68 CarbonylContact O-C 3.6Å; K65-A68 PolarHBondContact O-N 2.89Å; K65-A68 VanDerWaalsContact O-N 3.08Å; K65-S69 WeakPolarHBondContact O-CB 3.46Å; K65-S69 PolarHBondContact O-N 2.92Å; K65-S69 PolarHBondContact O-OG 3.23Å |
| 66 | L | 90 | Very high | 88.3 | Confident | 28 Ų | 28 | 84.5 Ų | 84.5 | 15% | 0.147 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 177.6 | -75.3 | 171.7 | 0 | 0 | 0 | 112.5 | R62 V63 A68 S69 V70 L76 L79 T80 | R62-L66 VanDerWaalsContact NH1-CD1 3.26Å; R62-L66 PolarHBondContact O-N 3.31Å; V63-L66 PolarHBondContact O-N 3.49Å; L66-A68 PolarHBondContact O-N 2.83Å; L66-S69 PolarHBondContact O-N 3.39Å; L66-V70 HydrophobicContact CD2-CG2 3.9Å; L66-V70 PolarHBondContact O-N 2.87Å; L66-L76 HydrophobicContact CB-CD1 4.2Å; L66-L79 HydrophobicContact CD1-CB 3.93Å; L66-L79 WeakPolarHBondContact CD1-O 3.2Å; L66-L79 HydrophobicContact CD2-CB 4.38Å; L66-L79 HydrophobicContact CD2-CD1 4.44Å; L66-T80 HydrophobicContact CB-CG2 4.17Å; L66-T80 HydrophobicContact CD1-CG2 4.4Å |
| 67 | R | 90 | Very high | 88.3 | Confident | 142 Ų | 142 | 84.8 Ų | 84.8 | 54% | 0.536 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.8 | -16.3 | 175 | -71.6 | 178.5 | 176.7 | -179.8 | 2.1 | 113.4 | V63 K65 L76 T80 D82 | V63-R67 HydrophobicContact CG1-CG 4.42Å; V63-R67 WeakPolarHBondContact O-CB 3.5Å; V63-R67 WeakPolarHBondContact O-CG 3.39Å; V63-R67 PolarHBondContact O-N 3.24Å; K65-R67 PolarHBondContact O-N 2.9Å; R67-L76 HydrophobicContact CB-CD1 4.44Å; R67-L76 HydrophobicContact CG-CD1 3.91Å; R67-L76 HydrophobicContact CG-CD2 4.34Å; R67-T80 HydrophobicContact CG-CG2 4.18Å; R67-D82 IonicContact CZ-OD2 2.71Å; R67-D82 IonicContact NE-OD2 2.76Å; R67-D82 IonicContact NH2-OD1 3.33Å; R67-D82 PolarHBondContact NH2-OD1 2.6Å; R67-D82 IonicContact NH2-OD2 2.7Å; R67-D82 PolarHBondContact NH2-OD2 3.29Å |
| 68 | A | 90 | Very high | 88 | Confident | 91 Ų | 91 | 83.3 Ų | 83.3 | 75% | 0.752 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -98.7 | -13 | 172 | 0 | 0 | 0 | 0 | 0 | 114.2 | S64 K65 L66 | S64-A68 PolarHBondContact O-N 3.47Å; K65-A68 CarbonylContact O-C 3.6Å; K65-A68 PolarHBondContact O-N 2.89Å; K65-A68 VanDerWaalsContact O-N 3.08Å; L66-A68 PolarHBondContact O-N 2.83Å |
| 69 | S | 89.7 | Confident | 87.7 | Confident | 90 Ų | 90 | 81.7 Ų | 81.7 | 63% | 0.629 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -118.8 | -15.4 | -173.2 | 75.1 | 0 | 0 | 0 | 0 | 115.6 | K65 L66 | K65-S69 WeakPolarHBondContact O-CB 3.46Å; K65-S69 PolarHBondContact O-N 2.92Å; K65-S69 PolarHBondContact O-OG 3.23Å; L66-S69 PolarHBondContact O-N 3.39Å |
| 70 | V | 90.4 | Very high | 87.7 | Confident | 31 Ų | 31 | 78.2 Ų | 78.2 | 19% | 0.188 | 44% | 0.443 | C | S | . | . | trans | -113.2 | 114.9 | -178.2 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | L66 Q75 L76 L79 | L66-V70 HydrophobicContact CD2-CG2 3.9Å; L66-V70 PolarHBondContact O-N 2.87Å; V70-Q75 HydrophobicContact CG1-CB 4.26Å; V70-L76 HydrophobicContact CB-CB 4.31Å; V70-L76 HydrophobicContact CB-CD1 4.12Å; V70-L76 HydrophobicContact CG1-CB 4.01Å; V70-L79 HydrophobicContact CG2-CD1 4.12Å | ||
| 71 | A | 86.8 | Confident | 87.5 | Confident | 105 Ų | 105 | 72.6 Ų | 72.6 | 87% | 0.868 | 42% | 0.423 | S | S | * | . | trans | -86.7 | -22.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P73 | A71-P73 WeakPolarHBondContact O-CD 3.29Š| ||
| 72 | D | 90.9 | Very high | 87.2 | Confident | 66 Ų | 66 | 72.8 Ų | 72.8 | 35% | 0.353 | 42% | 0.416 | S | S | . | . | trans | -77.2 | 118.3 | 176 | 168.8 | 29.2 | 0 | 0 | 0 | 110.8 | G74 Q75 L76 | D72-G74 PolarHBondContact O-N 3.09Å; D72-G74 PolarHBondContact OD1-N 3.48Å; D72-Q75 HydrophobicContact CB-CB 4.37Å; D72-Q75 VanDerWaalsContact OD2-CB 3.26Å; D72-Q75 WeakPolarHBondContact OD2-CB 3.32Å; D72-Q75 VanDerWaalsContact OD2-CG 3.22Å; D72-Q75 WeakPolarHBondContact OD2-CG 3.39Å; D72-Q75 PolarHBondContact OD2-N 2.77Å; D72-Q75 PolarHBondContact OD2-NE2 2.83Å; D72-L76 WeakPolarHBondContact O-CB 3.47Å; D72-L76 PolarHBondContact O-N 2.92Å | ||
| 73 | P | 83.4 | Confident | 86.7 | Confident | 99 Ų | 99 | 74.5 Ų | 74.5 | 64% | 0.643 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.9 | -30.4 | 177.4 | -22.5 | 34.5 | 0 | 0 | 0 | 113.7 | A71 K77 | A71-P73 WeakPolarHBondContact O-CD 3.29Å; P73-K77 VanDerWaalsContact O-CB 3.24Å; P73-K77 WeakPolarHBondContact O-CB 3.42Å; P73-K77 PolarHBondContact O-N 3.04Å |
| 74 | G | 82.8 | Confident | 86.1 | Confident | 38 Ų | 38 | 78.8 Ų | 78.8 | 39% | 0.392 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.6 | -59.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D72 L76 K77 I78 | D72-G74 PolarHBondContact O-N 3.09Å; D72-G74 PolarHBondContact OD1-N 3.48Å; G74-L76 VanDerWaalsContact C-N 3.32Å; G74-L76 PolarHBondContact O-N 2.69Å; G74-K77 PolarHBondContact O-N 3.3Å; G74-I78 PolarHBondContact O-N 2.95Å |
| 75 | Q | 80.1 | Confident | 85.2 | Confident | 115 Ų | 115 | 80.9 Ų | 80.9 | 54% | 0.537 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.3 | -37.9 | 174.3 | -77.3 | 168.9 | 85.3 | 0 | 0 | 112.7 | V70 D72 K77 I78 L79 | V70-Q75 HydrophobicContact CG1-CB 4.26Å; D72-Q75 HydrophobicContact CB-CB 4.37Å; D72-Q75 VanDerWaalsContact OD2-CB 3.26Å; D72-Q75 WeakPolarHBondContact OD2-CB 3.32Å; D72-Q75 VanDerWaalsContact OD2-CG 3.22Å; D72-Q75 WeakPolarHBondContact OD2-CG 3.39Å; D72-Q75 PolarHBondContact OD2-N 2.77Å; D72-Q75 PolarHBondContact OD2-NE2 2.83Å; Q75-K77 PolarHBondContact O-N 3.02Å; Q75-I78 PolarHBondContact O-N 3.24Å; Q75-L79 HydrophobicContact CB-CD1 4.36Å; Q75-L79 WeakPolarHBondContact O-CB 3.38Å; Q75-L79 WeakPolarHBondContact O-CG 3.3Å; Q75-L79 PolarHBondContact O-N 2.94Å |
| 76 | L | 86.9 | Confident | 84.4 | Confident | 36 Ų | 36 | 77.5 Ų | 77.5 | 19% | 0.188 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -57.2 | -50.9 | 176.4 | 178.1 | 63.2 | 0 | 0 | 0 | 110.6 | L66 R67 V70 D72 G74 I78 L79 T80 | L66-L76 HydrophobicContact CB-CD1 4.2Å; R67-L76 HydrophobicContact CB-CD1 4.44Å; R67-L76 HydrophobicContact CG-CD1 3.91Å; R67-L76 HydrophobicContact CG-CD2 4.34Å; V70-L76 HydrophobicContact CB-CB 4.31Å; V70-L76 HydrophobicContact CB-CD1 4.12Å; V70-L76 HydrophobicContact CG1-CB 4.01Å; D72-L76 WeakPolarHBondContact O-CB 3.47Å; D72-L76 PolarHBondContact O-N 2.92Å; G74-L76 VanDerWaalsContact C-N 3.32Å; G74-L76 PolarHBondContact O-N 2.69Å; L76-I78 VanDerWaalsContact C-N 3.26Å; L76-I78 PolarHBondContact O-N 3.36Å; L76-L79 PolarHBondContact O-N 3.28Å; L76-T80 HydrophobicContact CD1-CG2 3.65Å; L76-T80 HydrophobicContact CG-CG2 4.28Å; L76-T80 WeakPolarHBondContact O-CG2 3.33Å; L76-T80 PolarHBondContact O-N 2.93Å; L76-T80 PolarHBondContact O-OG1 2.88Å |
| 77 | K | 85.4 | Confident | 83.7 | Confident | 85 Ų | 85 | 77.8 Ų | 77.8 | 37% | 0.37 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.3 | -32.5 | -180 | -173.8 | 179.3 | -178.9 | 174 | 0 | 113.2 | P73 G74 Q75 D82 W83 E86 | P73-K77 VanDerWaalsContact O-CB 3.24Å; P73-K77 WeakPolarHBondContact O-CB 3.42Å; P73-K77 PolarHBondContact O-N 3.04Å; G74-K77 PolarHBondContact O-N 3.3Å; Q75-K77 PolarHBondContact O-N 3.02Å; K77-D82 HydrophobicContact CG-CB 4.25Å; K77-D82 PolarHBondContact O-N 3.07Å; K77-W83 HydrophobicContact CG-CB 4.12Å; K77-W83 PolarHBondContact O-N 3.21Å; K77-E86 WeakPolarHBondContact CE-OE2 3.47Å; K77-E86 IonicContact NZ-OE1 2.66Å; K77-E86 IonicContact NZ-OE2 3.66Å; K77-E86 PolarHBondContact NZ-OE2 2.98Å |
| 78 | I | 83.3 | Confident | 82.7 | Confident | 112 Ų | 112 | 76 Ų | 76 | 57% | 0.574 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -71.8 | -52.7 | 172.8 | -68.1 | 162.6 | 0 | 0 | 0 | 110.6 | G74 Q75 L76 T80 G81 | G74-I78 PolarHBondContact O-N 2.95Å; Q75-I78 PolarHBondContact O-N 3.24Å; L76-I78 VanDerWaalsContact C-N 3.26Å; L76-I78 PolarHBondContact O-N 3.36Å; I78-T80 PolarHBondContact O-N 2.85Å; I78-G81 PolarHBondContact O-N 2.76Å; I78-G81 VanDerWaalsContact O-N 3.11Å |
| 79 | L | 82.1 | Confident | 81.7 | Confident | 76 Ų | 76 | 75.3 Ų | 75.3 | 40% | 0.398 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.2 | -28.5 | -172.5 | -69.6 | 169.1 | 0 | 0 | 0 | 113.6 | R62 L66 V70 Q75 L76 | R62-L79 VanDerWaalsContact CZ-O 3.32Å; R62-L79 PolarHBondContact NH1-O 3.2Å; R62-L79 PolarHBondContact NH2-O 2.9Å; L66-L79 HydrophobicContact CD1-CB 3.93Å; L66-L79 WeakPolarHBondContact CD1-O 3.2Å; L66-L79 HydrophobicContact CD2-CB 4.38Å; L66-L79 HydrophobicContact CD2-CD1 4.44Å; V70-L79 HydrophobicContact CG2-CD1 4.12Å; Q75-L79 HydrophobicContact CB-CD1 4.36Å; Q75-L79 WeakPolarHBondContact O-CB 3.38Å; Q75-L79 WeakPolarHBondContact O-CG 3.3Å; Q75-L79 PolarHBondContact O-N 2.94Å; L76-L79 PolarHBondContact O-N 3.28Å |
| 80 | T | 87.3 | Confident | 80.9 | Confident | 4 Ų | 4 | 78.4 Ų | 78.4 | 3% | 0.025 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -13.4 | 173 | 58.7 | 0 | 0 | 0 | 0 | 113.6 | V63 L66 R67 L76 I78 D82 | V63-T80 HydrophobicContact CB-CG2 4.47Å; V63-T80 HydrophobicContact CG1-CG2 3.9Å; V63-T80 HydrophobicContact CG2-CG2 4.4Å; L66-T80 HydrophobicContact CB-CG2 4.17Å; L66-T80 HydrophobicContact CD1-CG2 4.4Å; R67-T80 HydrophobicContact CG-CG2 4.18Å; L76-T80 HydrophobicContact CD1-CG2 3.65Å; L76-T80 HydrophobicContact CG-CG2 4.28Å; L76-T80 WeakPolarHBondContact O-CG2 3.33Å; L76-T80 PolarHBondContact O-N 2.93Å; L76-T80 PolarHBondContact O-OG1 2.88Å; I78-T80 PolarHBondContact O-N 2.85Å; T80-D82 VanDerWaalsContact CB-OD2 3.29Å; T80-D82 WeakPolarHBondContact CB-OD2 3.19Å; T80-D82 PolarHBondContact O-N 3.22Å; T80-D82 WeakPolarHBondContact OG1-CB 3.42Å; T80-D82 PolarHBondContact OG1-N 3.22Å; T80-D82 PolarHBondContact OG1-OD2 3.21Å |
| 81 | G | 84.4 | Confident | 79.9 | Confident | 22 Ų | 22 | 86.6 Ų | 86.6 | 23% | 0.227 | 45% | 0.449 | C | S | . | . | trans | 70.4 | 13.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I78 W83 F84 Q85 | I78-G81 PolarHBondContact O-N 2.76Å; I78-G81 VanDerWaalsContact O-N 3.11Å; G81-W83 PolarHBondContact O-N 3.32Å; G81-F84 WeakPolarHBondContact O-CB 3.45Å; G81-F84 PolarHBondContact O-N 2.93Å; G81-Q85 PolarHBondContact O-N 3.46Å | ||
| 82 | D | 82.6 | Confident | 78.7 | Confident | 35 Ų | 35 | 87.4 Ų | 87.4 | 19% | 0.187 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.5 | -30 | 179.9 | -74.7 | -44.8 | 0 | 0 | 0 | 112.1 | R67 K77 T80 F84 Q85 E86 | R67-D82 IonicContact CZ-OD2 2.71Å; R67-D82 IonicContact NE-OD2 2.76Å; R67-D82 IonicContact NH2-OD1 3.33Å; R67-D82 PolarHBondContact NH2-OD1 2.6Å; R67-D82 IonicContact NH2-OD2 2.7Å; R67-D82 PolarHBondContact NH2-OD2 3.29Å; K77-D82 HydrophobicContact CG-CB 4.25Å; K77-D82 PolarHBondContact O-N 3.07Å; T80-D82 VanDerWaalsContact CB-OD2 3.29Å; T80-D82 WeakPolarHBondContact CB-OD2 3.19Å; T80-D82 PolarHBondContact O-N 3.22Å; T80-D82 WeakPolarHBondContact OG1-CB 3.42Å; T80-D82 PolarHBondContact OG1-N 3.22Å; T80-D82 PolarHBondContact OG1-OD2 3.21Å; D82-F84 VanDerWaalsContact C-N 3.26Å; D82-F84 PolarHBondContact O-N 3.18Å; D82-Q85 PolarHBondContact O-N 3.26Å; D82-E86 PolarHBondContact O-N 2.85Å; D82-E86 VanDerWaalsContact O-N 3.12Å |
| 83 | W | 82.9 | Confident | 77.3 | Confident | 136 Ų | 136 | 93.2 Ų | 93.2 | 52% | 0.515 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.1 | -36.2 | 171.8 | 74.1 | -88.2 | 0 | 0 | 0 | 113.4 | K77 G81 A87 | K77-W83 HydrophobicContact CG-CB 4.12Å; K77-W83 PolarHBondContact O-N 3.21Å; G81-W83 PolarHBondContact O-N 3.32Å; W83-A87 VanDerWaalsContact O-CB 3.3Å; W83-A87 WeakPolarHBondContact O-CB 3.49Å; W83-A87 PolarHBondContact O-N 3.43Å |
| 84 | F | 76.9 | Confident | 76.1 | Confident | 109 Ų | 109 | 95 Ų | 95 | 48% | 0.478 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -75 | -31.4 | -179.2 | 175.6 | -100.8 | 0 | 0 | 0 | 111.4 | G81 D82 R88 | G81-F84 WeakPolarHBondContact O-CB 3.45Å; G81-F84 PolarHBondContact O-N 2.93Å; D82-F84 VanDerWaalsContact C-N 3.26Å; D82-F84 PolarHBondContact O-N 3.18Å; F84-R88 HydrophobicContact CE1-CG 4.4Å; F84-R88 HydrophobicContact CZ-CG 4.33Å; F84-R88 WeakPolarHBondContact O-CB 3.33Å; F84-R88 VanDerWaalsContact O-CG 3.31Å; F84-R88 WeakPolarHBondContact O-CG 3.3Å; F84-R88 PolarHBondContact O-N 3.47Å; F84-R88 VanDerWaalsContact O-N 3.1Å |
| 85 | Q | 71.2 | Confident | 74.9 | Confident | 123 Ų | 123 | 98.1 Ų | 98.1 | 58% | 0.575 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.7 | -42.8 | 174.5 | -56.9 | -169.5 | 40.8 | 0 | 0 | 111 | G81 D82 R88 S89 | G81-Q85 PolarHBondContact O-N 3.46Å; D82-Q85 PolarHBondContact O-N 3.26Å; Q85-R88 PolarHBondContact O-N 3.2Å; Q85-S89 PolarHBondContact O-N 2.99Å |
| 86 | E | 75.9 | Confident | 74 | Confident | 85 Ų | 85 | 100.1 Ų | 100.1 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.9 | -46.2 | 175.2 | -174.6 | -178.4 | -156.7 | 0 | 0 | 112.4 | K77 D82 R88 S89 Q90 | K77-E86 WeakPolarHBondContact CE-OE2 3.47Å; K77-E86 IonicContact NZ-OE1 2.66Å; K77-E86 IonicContact NZ-OE2 3.66Å; K77-E86 PolarHBondContact NZ-OE2 2.98Å; D82-E86 PolarHBondContact O-N 2.85Å; D82-E86 VanDerWaalsContact O-N 3.12Å; E86-R88 PolarHBondContact O-N 3.06Å; E86-S89 PolarHBondContact O-N 2.93Å; E86-S89 PolarHBondContact O-OG 2.83Å; E86-S89 VanDerWaalsContact O-OG 3.05Å; E86-Q90 WeakPolarHBondContact O-CG 3.26Å; E86-Q90 PolarHBondContact O-N 3.15Å |
| 87 | A | 75.9 | Confident | 73.1 | Confident | 34 Ų | 34 | 103.1 Ų | 103.1 | 28% | 0.281 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -23.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | W83 R91 | W83-A87 VanDerWaalsContact O-CB 3.3Å; W83-A87 WeakPolarHBondContact O-CB 3.49Å; W83-A87 PolarHBondContact O-N 3.43Å; A87-R91 WeakPolarHBondContact O-CG 3.22Å |
| 88 | R | 67.7 | Low | 72.6 | Confident | 103 Ų | 103 | 101.3 Ų | 101.3 | 39% | 0.389 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -83.6 | -41.8 | 172.8 | -82.1 | -173.4 | 59.9 | 146.4 | 2.8 | 113.5 | F84 Q85 E86 Q90 R91 H92 | F84-R88 HydrophobicContact CE1-CG 4.4Å; F84-R88 HydrophobicContact CZ-CG 4.33Å; F84-R88 WeakPolarHBondContact O-CB 3.33Å; F84-R88 VanDerWaalsContact O-CG 3.31Å; F84-R88 WeakPolarHBondContact O-CG 3.3Å; F84-R88 PolarHBondContact O-N 3.47Å; F84-R88 VanDerWaalsContact O-N 3.1Å; Q85-R88 PolarHBondContact O-N 3.2Å; E86-R88 PolarHBondContact O-N 3.06Å; R88-Q90 VanDerWaalsContact C-N 3.28Å; R88-Q90 PolarHBondContact O-N 2.91Å; R88-R91 PolarHBondContact O-N 3.23Å; R88-H92 PolarHBondContact O-N 2.78Å |
| 89 | S | 69.8 | Low | 72.4 | Confident | 77 Ų | 77 | 96.6 Ų | 96.6 | 54% | 0.538 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.9 | -34.1 | -179.3 | 62.5 | 0 | 0 | 0 | 0 | 112 | Q85 E86 R91 | Q85-S89 PolarHBondContact O-N 2.99Å; E86-S89 PolarHBondContact O-N 2.93Å; E86-S89 PolarHBondContact O-OG 2.83Å; E86-S89 VanDerWaalsContact O-OG 3.05Å; S89-R91 PolarHBondContact O-N 3.07Å |
| 90 | Q | 73.1 | Confident | 72.3 | Confident | 155 Ų | 155 | 95.6 Ų | 95.6 | 72% | 0.724 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.6 | 172 | -67.3 | -178.8 | 15.1 | 0 | 0 | 113.9 | E86 R88 | E86-Q90 WeakPolarHBondContact O-CG 3.26Å; E86-Q90 PolarHBondContact O-N 3.15Å; R88-Q90 VanDerWaalsContact C-N 3.28Å; R88-Q90 PolarHBondContact O-N 2.91Å |
| 91 | R | 68.1 | Low | 72.2 | Confident | 204 Ų | 204 | 98.2 Ų | 98.2 | 77% | 0.77 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -22.8 | -179.1 | -65.6 | -179.2 | -173.2 | -140.2 | 0.9 | 113.7 | A87 R88 S89 | A87-R91 WeakPolarHBondContact O-CG 3.22Å; R88-R91 PolarHBondContact O-N 3.23Å; S89-R91 PolarHBondContact O-N 3.07Å |
| 92 | H | 62.5 | Low | 72.1 | Confident | 121 Ų | 121 | 98.6 Ų | 98.6 | 56% | 0.56 | 50% | 0.495 | S | S | * | . | trans | -140.1 | 109.3 | -176.5 | -58.5 | -68.9 | 0 | 0 | 0 | 110.9 | R88 N94 | R88-H92 PolarHBondContact O-N 2.78Å; H92-N94 PolarHBondContact O-N 2.99Å; H92-N94 VanDerWaalsContact O-N 3.12Å | ||
| 93 | H | 60.1 | Low | 72.2 | Confident | 188 Ų | 188 | 100 Ų | 100 | 87% | 0.87 | 50% | 0.498 | S | S | * | . | trans | -68.7 | -6.6 | 179.2 | -155.8 | -59.9 | 0 | 0 | 0 | 113.7 | ||||
| 94 | N | 59.3 | Low | 72.1 | Confident | 137 Ų | 137 | 95.7 Ų | 95.7 | 73% | 0.733 | 49% | 0.491 | S | S | * | . | trans | -88.8 | 110.8 | 179 | -72.9 | 4.8 | 0 | 0 | 0 | 111 | H92 H96 | H92-N94 PolarHBondContact O-N 2.99Å; H92-N94 VanDerWaalsContact O-N 3.12Å; N94-H96 PolarHBondContact O-N 3.26Å; N94-H96 VanDerWaalsContact O-N 3.12Å | ||
| 95 | A | 56.7 | Low | 72.5 | Confident | 103 Ų | 103 | 90.9 Ų | 90.9 | 85% | 0.851 | 47% | 0.471 | S | S | * | . | trans | -72.1 | 1.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 96 | H | 61.4 | Low | 72.9 | Confident | 157 Ų | 157 | 86.7 Ų | 86.7 | 73% | 0.727 | 45% | 0.451 | S | S | * | . | trans | -98 | 127.4 | -176 | -62.8 | -45.9 | 0 | 0 | 0 | 112.3 | N94 | N94-H96 PolarHBondContact O-N 3.26Å; N94-H96 VanDerWaalsContact O-N 3.12Å | ||
| 97 | F | 68.7 | Low | 73 | Confident | 99 Ų | 99 | 91.5 Ų | 91.5 | 43% | 0.434 | 47% | 0.466 | S | S | . | . | trans | -69.6 | 139.6 | 173.1 | -137.8 | -87.3 | 0 | 0 | 0 | 109.9 | R56 S99 D100 L101 | R56-F97 VanDerWaalsContact NH2-CD1 3.31Å; F97-S99 WeakPolarHBondContact CD1-OG 3.16Å; F97-S99 PolarHBondContact O-N 2.84Å; F97-S99 VanDerWaalsContact O-N 3.16Å; F97-D100 WeakPolarHBondContact CB-OD2 3.34Å; F97-D100 WeakPolarHBondContact O-CA 3.43Å; F97-D100 WeakPolarHBondContact O-CB 3.27Å; F97-D100 PolarHBondContact O-N 2.91Å; F97-L101 PolarHBondContact O-N 2.62Å | ||
| 98 | G | 75.1 | Confident | 72.7 | Confident | 47 Ų | 47 | 97.1 Ų | 97.1 | 49% | 0.485 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -56.8 | -35.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D100 L101 V102 | G98-D100 PolarHBondContact O-N 2.59Å; G98-L101 PolarHBondContact O-N 3.12Å; G98-V102 WeakPolarHBondContact O-CG2 3.32Å; G98-V102 PolarHBondContact O-N 2.86Å |
| 99 | S | 79.3 | Confident | 72.4 | Confident | 13 Ų | 13 | 95.8 Ų | 95.8 | 9% | 0.091 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -55.5 | -33.5 | 172 | 58.1 | 0 | 0 | 0 | 0 | 113.7 | L49 R56 F97 R103 | L49-S99 WeakPolarHBondContact CD2-O 3.4Å; R56-S99 PolarHBondContact NH1-OG 2.7Å; R56-S99 PolarHBondContact NH2-OG 2.9Å; F97-S99 WeakPolarHBondContact CD1-OG 3.16Å; F97-S99 PolarHBondContact O-N 2.84Å; F97-S99 VanDerWaalsContact O-N 3.16Å; S99-R103 WeakPolarHBondContact O-CB 3.17Å; S99-R103 PolarHBondContact O-N 2.92Å |
| 100 | D | 80.3 | Confident | 71.7 | Confident | 56 Ų | 56 | 101.4 Ų | 101.4 | 30% | 0.299 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -86.3 | -30.8 | -170.5 | -51.4 | -22.2 | 0 | 0 | 0 | 109.3 | R56 F97 G98 R103 A104 | R56-D100 IonicContact NH1-OD1 2.81Å; R56-D100 PolarHBondContact NH1-OD1 3.02Å; R56-D100 IonicContact NH1-OD2 2.94Å; R56-D100 PolarHBondContact NH1-OD2 3.34Å; F97-D100 WeakPolarHBondContact CB-OD2 3.34Å; F97-D100 WeakPolarHBondContact O-CA 3.43Å; F97-D100 WeakPolarHBondContact O-CB 3.27Å; F97-D100 PolarHBondContact O-N 2.91Å; G98-D100 PolarHBondContact O-N 2.59Å; D100-R103 PolarHBondContact O-N 3.34Å; D100-R103 IonicContact OD1-CZ 3.66Å; D100-R103 IonicContact OD1-NH1 2.7Å; D100-R103 PolarHBondContact OD1-NH1 3Å; D100-R103 IonicContact OD1-NH2 3.96Å; D100-A104 WeakPolarHBondContact O-CB 3.36Å; D100-A104 PolarHBondContact O-N 2.79Å |
| 101 | L | 83.3 | Confident | 70.6 | Confident | 58 Ų | 58 | 98.8 Ų | 98.8 | 30% | 0.304 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 166.1 | -171.5 | 64.5 | 0 | 0 | 0 | 112.4 | G30 L31 L32 F97 G98 A104 S105 | G30-L101 WeakPolarHBondContact O-CD1 3.2Å; L31-L101 HydrophobicContact CD2-CD1 4.24Å; L32-L101 HydrophobicContact CD1-CD2 4.29Å; L32-L101 HydrophobicContact CD1-CG 4.45Å; L32-L101 HydrophobicContact CG-CD2 4Å; L32-L101 HydrophobicContact CG-CG 4.28Å; F97-L101 PolarHBondContact O-N 2.62Å; G98-L101 PolarHBondContact O-N 3.12Å; L101-A104 PolarHBondContact O-N 3.41Å; L101-S105 WeakPolarHBondContact O-CB 3.35Å; L101-S105 PolarHBondContact O-N 2.69Å; L101-S105 PolarHBondContact O-OG 2.92Å |
| 102 | V | 84.1 | Confident | 69.6 | Low | 31 Ų | 31 | 94.9 Ų | 94.9 | 19% | 0.188 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 172.8 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | L32 L34 I45 L49 G98 A104 S105 M106 | L32-V102 HydrophobicContact CD1-CG2 3.78Å; L34-V102 HydrophobicContact CD1-CG1 4.31Å; I45-V102 HydrophobicContact CG2-CG1 3.85Å; L49-V102 HydrophobicContact CD1-CG1 4.01Å; G98-V102 WeakPolarHBondContact O-CG2 3.32Å; G98-V102 PolarHBondContact O-N 2.86Å; V102-A104 VanDerWaalsContact C-N 3.29Å; V102-A104 PolarHBondContact O-N 3.31Å; V102-S105 PolarHBondContact O-N 2.97Å; V102-S105 VanDerWaalsContact O-N 3.15Å; V102-M106 HydrophobicContact CG1-CG 4.24Å; V102-M106 HydrophobicContact CG1-SD 3.97Å; V102-M106 WeakPolarHBondContact O-CG 3.31Å; V102-M106 PolarHBondContact O-N 2.61Å |
| 103 | R | 83.5 | Confident | 68.6 | Low | 65 Ų | 65 | 100.8 Ų | 100.8 | 25% | 0.245 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -61.3 | -33.8 | 177.2 | -168.6 | -175.9 | -66.9 | 121.9 | 0.5 | 112.8 | L49 S99 D100 R107 | L49-R103 HydrophobicContact CD1-CB 4.19Å; L49-R103 PolarHBondContact O-NH2 3.38Å; S99-R103 WeakPolarHBondContact O-CB 3.17Å; S99-R103 PolarHBondContact O-N 2.92Å; D100-R103 PolarHBondContact O-N 3.34Å; D100-R103 IonicContact OD1-CZ 3.66Å; D100-R103 IonicContact OD1-NH1 2.7Å; D100-R103 PolarHBondContact OD1-NH1 3Å; D100-R103 IonicContact OD1-NH2 3.96Å; R103-R107 WeakPolarHBondContact O-CD 3.3Å; R103-R107 VanDerWaalsContact O-CG 3.26Å; R103-R107 WeakPolarHBondContact O-CG 3.21Å; R103-R107 PolarHBondContact O-N 3.05Å |
| 104 | A | 81.5 | Confident | 67.4 | Low | 44 Ų | 44 | 95.1 Ų | 95.1 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.6 | -45.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L31 D100 L101 V102 R107 R108 | L31-A104 HydrophobicContact CD2-CB 3.99Å; D100-A104 WeakPolarHBondContact O-CB 3.36Å; D100-A104 PolarHBondContact O-N 2.79Å; L101-A104 PolarHBondContact O-N 3.41Å; V102-A104 VanDerWaalsContact C-N 3.29Å; V102-A104 PolarHBondContact O-N 3.31Å; A104-R107 PolarHBondContact O-N 2.73Å; A104-R108 PolarHBondContact O-N 3.4Å |
| 105 | S | 84.4 | Confident | 66.1 | Low | 8 Ų | 8 | 96.4 Ų | 96.4 | 6% | 0.056 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -62.5 | -45.6 | -179.4 | -53.4 | 0 | 0 | 0 | 0 | 111.8 | L31 L32 L101 V102 R107 R108 | L31-S105 WeakPolarHBondContact CD2-OG 3.42Å; L32-S105 PolarHBondContact N-OG 2.86Å; L32-S105 WeakPolarHBondContact O-CB 3.26Å; L32-S105 PolarHBondContact O-OG 2.87Å; L101-S105 WeakPolarHBondContact O-CB 3.35Å; L101-S105 PolarHBondContact O-N 2.69Å; L101-S105 PolarHBondContact O-OG 2.92Å; V102-S105 PolarHBondContact O-N 2.97Å; V102-S105 VanDerWaalsContact O-N 3.15Å; S105-R107 VanDerWaalsContact C-N 3.32Å; S105-R107 PolarHBondContact O-N 3.06Å; S105-R108 WeakPolarHBondContact O-CB 3.15Å; S105-R108 PolarHBondContact O-N 2.84Å; S105-R108 VanDerWaalsContact O-N 3.12Å |
| 106 | M | 79.9 | Confident | 65.1 | Low | 35 Ų | 35 | 100.7 Ų | 100.7 | 17% | 0.172 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -61.5 | -35.9 | 176.5 | -69.4 | 178.9 | 80 | 0 | 0 | 113.3 | L34 Q42 I45 A46 L49 V102 R108 K109 | L34-M106 HydrophobicContact CD1-CG 3.74Å; Q42-M106 HydrophobicContact CB-CE 4.23Å; Q42-M106 WeakPolarHBondContact O-CE 3.4Å; I45-M106 HydrophobicContact CB-CE 4.31Å; I45-M106 HydrophobicContact CB-SD 4.37Å; I45-M106 HydrophobicContact CG2-CE 4.2Å; I45-M106 HydrophobicContact CG2-SD 3.62Å; A46-M106 HydrophobicContact CB-CE 4.12Å; L49-M106 HydrophobicContact CD1-SD 3.67Å; V102-M106 HydrophobicContact CG1-CG 4.24Å; V102-M106 HydrophobicContact CG1-SD 3.97Å; V102-M106 WeakPolarHBondContact O-CG 3.31Å; V102-M106 PolarHBondContact O-N 2.61Å; M106-R108 PolarHBondContact O-N 3.28Å; M106-K109 PolarHBondContact O-N 3.04Å |
| 107 | R | 79.1 | Confident | 63.7 | Low | 187 Ų | 187 | 97.4 Ų | 97.4 | 71% | 0.706 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.1 | -26.4 | 177.1 | -75.4 | 169.6 | -177 | -93.1 | -0.1 | 112.6 | R103 A104 S105 | R103-R107 WeakPolarHBondContact O-CD 3.3Å; R103-R107 VanDerWaalsContact O-CG 3.26Å; R103-R107 WeakPolarHBondContact O-CG 3.21Å; R103-R107 PolarHBondContact O-N 3.05Å; A104-R107 PolarHBondContact O-N 2.73Å; S105-R107 VanDerWaalsContact C-N 3.32Å; S105-R107 PolarHBondContact O-N 3.06Å |
| 108 | R | 69.1 | Low | 62.8 | Low | 151 Ų | 151 | 99 Ų | 99 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -73.1 | -42.3 | -179.7 | -148.6 | -179.6 | -167.9 | -167.4 | 4.3 | 112.6 | A104 S105 M106 K110 S111 | A104-R108 PolarHBondContact O-N 3.4Å; S105-R108 WeakPolarHBondContact O-CB 3.15Å; S105-R108 PolarHBondContact O-N 2.84Å; S105-R108 VanDerWaalsContact O-N 3.12Å; M106-R108 PolarHBondContact O-N 3.28Å; R108-K110 PolarHBondContact O-N 2.8Å; R108-K110 VanDerWaalsContact O-N 3.13Å; R108-S111 WeakPolarHBondContact O-CB 3.28Å; R108-S111 PolarHBondContact O-N 3.44Å; R108-S111 VanDerWaalsContact O-N 3.11Å |
| 109 | K | 60.8 | Low | 60.5 | Low | 75 Ų | 75 | 100.5 Ų | 100.5 | 33% | 0.326 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65 | -13.8 | -179.3 | -179.1 | 156.2 | 151.7 | -176 | 0 | 113.6 | L34 S35 L37 Q42 M106 S111 | L34-K109 PolarHBondContact O-NZ 2.65Å; S35-K109 PolarHBondContact O-NZ 3.18Å; L37-K109 PolarHBondContact O-NZ 2.91Å; Q42-K109 VanDerWaalsContact NE2-CD 3.34Å; M106-K109 PolarHBondContact O-N 3.04Å; K109-S111 VanDerWaalsContact C-N 3.34Å |
| 110 | K | 55.6 | Low | 58.1 | Low | 195 Ų | 195 | 108 Ų | 108 | 85% | 0.848 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -0.6 | 174.1 | -158.4 | 134.5 | -172.6 | 162 | 0 | 114.6 | R108 | R108-K110 PolarHBondContact O-N 2.8Å; R108-K110 VanDerWaalsContact O-N 3.13Å |
| 111 | S | 50.4 | Low | 55.6 | Low | 101 Ų | 101 | 110.3 Ų | 110.3 | 71% | 0.706 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -8.9 | -176 | -165.5 | 0 | 0 | 0 | 0 | 115.6 | R108 K109 | R108-S111 WeakPolarHBondContact O-CB 3.28Å; R108-S111 PolarHBondContact O-N 3.44Å; R108-S111 VanDerWaalsContact O-N 3.11Å; K109-S111 VanDerWaalsContact C-N 3.34Å |
| 112 | T | 47.1 | Very low | 53.1 | Low | 121 Ų | 121 | 116.4 Ų | 116.4 | 74% | 0.742 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -114 | 52.7 | -170.5 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 113 | R | 41.5 | Very low | 50.4 | Low | 246 Ų | 246 | 122.3 Ų | 122.3 | 93% | 0.928 | 64% | 0.635 | S | S | * | * | trans | -148.9 | 67.2 | 172.2 | -160 | 174.8 | -172.1 | 175.7 | 2.4 | 111.5 | ||||
| 114 | G | 34.2 | Very low | 47.8 | Very low | 68 Ų | 68 | 124.3 Ų | 124.3 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | trans | -149.1 | 134.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 115 | D | 32.8 | Very low | 45.2 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 88% | 0.882 | 69% | 0.69 | S | S | * | * | trans | 46.5 | 112.2 | 171.6 | -62.2 | 0.3 | 0 | 0 | 0 | 120.8 | ||||
| 116 | Q | 35.7 | Very low | 42.5 | Very low | 192 Ų | 192 | 135.5 Ų | 135.5 | 90% | 0.897 | 73% | 0.725 | S | S | * | * | trans | -87.8 | 164.7 | 132.7 | -53.4 | 174.3 | 44.1 | 0 | 0 | 106.4 | ||||
| 117 | A | 31.2 | Very low | 40 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | cis | -151.9 | -137.4 | 28.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 118 | P | 50.1 | Low | 37.6 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | -121 | 166.9 | -118.4 | 35.4 | -16 | 0 | 0 | 0 | 116.2 | |||||
| 119 | G | 27.1 | Very low | 35.7 | Very low | 80 Ų | 80 | 138.8 Ų | 138.8 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -143.4 | 154.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 120 | H | 29.3 | Very low | 34 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 79% | 0.787 | 80% | 0.803 | S | S | * | * | trans | -124.1 | 172 | -165.1 | -156.8 | -101.5 | 0 | 0 | 0 | 112.7 | ||||
| 121 | D | 28.1 | Very low | 32.6 | Very low | 105 Ų | 105 | 144.3 Ų | 144.3 | 56% | 0.561 | 81% | 0.805 | S | S | * | * | trans | 82.4 | 103.8 | 163.6 | -66.5 | -63.4 | 0 | 0 | 0 | 122.3 | ||||
| 122 | R | 30.1 | Very low | 31.5 | Very low | 186 Ų | 186 | 148 Ų | 148 | 70% | 0.702 | 81% | 0.811 | S | S | * | * | 81.9 | 128.2 | 115.5 | -74.5 | 171.8 | 176.2 | -104.3 | 1.7 | 124 | |||||
| 123 | E | 27 | Very low | 30.4 | Very low | 155 Ų | 155 | 151.3 Ų | 151.3 | 72% | 0.724 | 82% | 0.818 | S | S | * | * | 62.8 | 107.5 | 129.6 | -62.9 | 169 | 135.4 | 0 | 0 | 120.9 | |||||
| 124 | A | 29.2 | Very low | 29.6 | Very low | 106 Ų | 106 | 143.1 Ų | 143.1 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | -166.1 | 164.8 | 125.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 125 | E | 26.4 | Very low | 29.5 | Very low | 189 Ų | 189 | 146.1 Ų | 146.1 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -96.4 | 162 | -170.2 | -61.8 | -173.5 | 105.5 | 0 | 0 | 116.3 | ||||
| 126 | A | 26.8 | Very low | 29.6 | Very low | 98 Ų | 98 | 146.5 Ų | 146.5 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | 48.6 | 125.4 | 138.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 127 | A | 27.7 | Very low | 29.3 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | -156.4 | 127.4 | 118.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 128 | V | 29.9 | Very low | 29.1 | Very low | 140 Ų | 140 | 148.8 Ų | 148.8 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | -89.7 | 134.4 | 164.2 | 172.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 129 | K | 28 | Very low | 27.9 | Very low | 201 Ų | 201 | 149.7 Ų | 149.7 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -155 | 104.1 | 160.2 | -145.7 | 169.9 | -172.7 | 175.5 | 0 | 112.9 | ||||
| 130 | E | 26.4 | Very low | 27.8 | Very low | 179 Ų | 179 | 152 Ų | 152 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -72.2 | 149 | 159.6 | -60.5 | 174.1 | 140.2 | 0 | 0 | 109.7 | ||||
| 131 | K | 25.1 | Very low | 28 | Very low | 208 Ų | 208 | 150.3 Ų | 150.3 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | trans | -156 | 144.5 | 136.1 | -143.2 | -166.3 | 171.7 | -159.5 | 0 | 111.9 | ||||
| 132 | E | 27 | Very low | 27.8 | Very low | 178 Ų | 178 | 152.2 Ų | 152.2 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -97.9 | 176.8 | -177.8 | -128.6 | -178.4 | 157.7 | 0 | 0 | 113.6 | ||||
| 133 | E | 25 | Very low | 27.7 | Very low | 191 Ų | 191 | 151.1 Ų | 151.1 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | 73.6 | 149 | 168.1 | -69.8 | -165.9 | 116.6 | 0 | 0 | 120.6 | ||||
| 134 | G | 25.5 | Very low | 27.8 | Very low | 74 Ų | 74 | 148 Ų | 148 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | trans | -98.1 | -129.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 135 | P | 31.8 | Very low | 28 | Very low | 130 Ų | 130 | 148.5 Ų | 148.5 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | cis | -126.5 | -165.7 | 13.8 | 43.7 | -28.6 | 0 | 0 | 0 | 114.6 | ||||
| 136 | E | 33.4 | Very low | 28.1 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -66.9 | 160.6 | 169.2 | -63.3 | -171 | 131.2 | 0 | 0 | 114.5 | ||||
| 137 | P | 31 | Very low | 28.1 | Very low | 115 Ų | 115 | 151 Ų | 151 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | -124.3 | 131.1 | 119.3 | 5.5 | 15.4 | 0 | 0 | 0 | 111.9 | |||||
| 138 | R | 25.4 | Very low | 28 | Very low | 214 Ų | 214 | 155.7 Ų | 155.7 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | 59 | 109.3 | 87.1 | -66.7 | -172.1 | 176.3 | -170.9 | -0.7 | 114.3 | |||||
| 139 | L | 26.3 | Very low | 28.1 | Very low | 149 Ų | 149 | 155.3 Ų | 155.3 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | 84.4 | 118.6 | 70.5 | -82.2 | 176.7 | 0 | 0 | 0 | 114.9 | |||||
| 140 | T | 24.2 | Very low | 28 | Very low | 130 Ų | 130 | 157.8 Ų | 157.8 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -175.6 | 116.8 | 134.4 | 32.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 141 | I | 32.8 | Very low | 27.9 | Very low | 134 Ų | 134 | 157 Ų | 157 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | 74.1 | 105.6 | 67.6 | -64 | 165.5 | 0 | 0 | 0 | 112.4 | |||||
| 142 | D | 25.5 | Very low | 27.9 | Very low | 145 Ų | 145 | 154.1 Ų | 154.1 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | 171.4 | 157.2 | 125.1 | -99.9 | -30.1 | 0 | 0 | 0 | 109.4 | |||||
| 143 | E | 26.4 | Very low | 27.8 | Very low | 162 Ų | 162 | 155 Ų | 155 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | cis | -148.4 | 167.4 | -8.7 | -159.4 | -171.3 | 138.8 | 0 | 0 | 107.5 | ||||
| 144 | A | 30.4 | Very low | 27.8 | Very low | 89 Ų | 89 | 150.1 Ų | 150.1 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -147 | 132.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 145 | P | 32.5 | Very low | 27.7 | Very low | 117 Ų | 117 | 152.4 Ų | 152.4 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -107.6 | 148.4 | 155.2 | -6.3 | 27 | 0 | 0 | 0 | 112.7 | ||||
| 146 | Q | 28.1 | Very low | 27.4 | Very low | 188 Ų | 188 | 153.1 Ų | 153.1 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -96.4 | -157.2 | 174.4 | -57.1 | 178.7 | -91.6 | 0 | 0 | 110.9 | ||||
| 147 | E | 28.2 | Very low | 27.5 | Very low | 152 Ų | 152 | 150.8 Ų | 150.8 | 71% | 0.71 | 79% | 0.79 | S | S | * | * | trans | 83.7 | 145.1 | 158.4 | -76.7 | -147.6 | 171.5 | 0 | 0 | 118.7 | ||||
| 148 | R | 26.1 | Very low | 27.5 | Very low | 199 Ų | 199 | 154.3 Ų | 154.3 | 75% | 0.751 | 80% | 0.796 | S | S | * | * | cis | -148.9 | 153.5 | 1.8 | 172.2 | 176.2 | -66.8 | -147.1 | -4.7 | 112.3 | ||||
| 149 | L | 30.4 | Very low | 27.5 | Very low | 133 Ų | 133 | 153.4 Ų | 153.4 | 70% | 0.696 | 80% | 0.801 | S | S | * | * | trans | -46 | 154.8 | 172.9 | -64.5 | 150.6 | 0 | 0 | 0 | 115.9 | ||||
| 150 | R | 25.9 | Very low | 27.5 | Very low | 252 Ų | 252 | 150.1 Ų | 150.1 | 95% | 0.951 | 80% | 0.796 | S | S | * | * | trans | -141.2 | 122.3 | 130.4 | -73 | -159.5 | 177.6 | -157.5 | -2.4 | 111.4 | ||||
| 151 | E | 25.6 | Very low | 27.6 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -96.3 | 159.8 | 159.3 | -65.7 | 164 | 119.1 | 0 | 0 | 108.8 | ||||
| 152 | T | 23.4 | Very low | 27.2 | Very low | 148 Ų | 148 | 151.5 Ų | 151.5 | 91% | 0.908 | 80% | 0.803 | S | S | * | * | trans | -147.8 | 128.4 | 158.7 | 26.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 153 | E | 25.3 | Very low | 27.3 | Very low | 196 Ų | 196 | 149.2 Ų | 149.2 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -78.8 | 152.7 | 179.8 | -56.1 | 159.8 | 105.1 | 0 | 0 | 112 | ||||
| 154 | A | 24.5 | Very low | 27.3 | Very low | 89 Ų | 89 | 149.9 Ų | 149.9 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | -170.2 | 109.2 | 145.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 155 | S | 24.6 | Very low | 27 | Very low | 121 Ų | 121 | 153.8 Ų | 153.8 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | 61.3 | 134.6 | 139.4 | -50 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 156 | D | 26.1 | Very low | 26.8 | Very low | 146 Ų | 146 | 154.6 Ų | 154.6 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | trans | -61.9 | 173.7 | 155.1 | -52 | -86.7 | 0 | 0 | 0 | 112.6 | ||||
| 157 | P | 34.9 | Very low | 27.2 | Very low | 125 Ų | 125 | 151.7 Ų | 151.7 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | -136.5 | 141.2 | 89.3 | 36.6 | -25.1 | 0 | 0 | 0 | 115.5 | |||||
| 158 | E | 30 | Very low | 27.1 | Very low | 188 Ų | 188 | 146.9 Ų | 146.9 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -73.9 | 139.7 | 138.9 | -71.5 | -166.7 | 132.2 | 0 | 0 | 108.6 | ||||
| 159 | E | 25.9 | Very low | 27.3 | Very low | 195 Ų | 195 | 147 Ų | 147 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -154.6 | 158.8 | 137 | -143.4 | 172 | -163.9 | 0 | 0 | 110.9 | ||||
| 160 | A | 27.1 | Very low | 27.1 | Very low | 81 Ų | 81 | 143.7 Ų | 143.7 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | trans | -143.6 | 161.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 161 | S | 25.1 | Very low | 27.2 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | 99.3 | 153.4 | 164.3 | -41.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 162 | Q | 25.8 | Very low | 27.4 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | 71 | 111.5 | 165.8 | -61.9 | 167 | 11.1 | 0 | 0 | 114.9 | ||||
| 163 | A | 26.8 | Very low | 27.7 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | cis | 81.6 | 164.8 | 36.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 164 | Q | 25.8 | Very low | 27.7 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | 79 | 132.9 | -166.2 | -80.6 | -178.7 | -102.2 | 0 | 0 | 114.3 | ||||
| 165 | E | 24.8 | Very low | 27.6 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | cis | -138.2 | 161.8 | 4.4 | -60.3 | -162.3 | 129.7 | 0 | 0 | 114.3 | ||||
| 166 | D | 28.1 | Very low | 27.7 | Very low | 134 Ų | 134 | 136 Ų | 136 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | -99.2 | 156.3 | 167.5 | -179 | 45.7 | 0 | 0 | 0 | 109.2 | G168 | D166-G168 VanDerWaalsContact CG-N 3.32Å; D166-G168 PolarHBondContact OD1-N 2.8Å; D166-G168 PolarHBondContact OD2-N 2.79Å | ||
| 167 | P | 37.4 | Very low | 27.8 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | -149.2 | 106.3 | 101.7 | 34.2 | -14.2 | 0 | 0 | 0 | 115.8 | |||||
| 168 | G | 25.1 | Very low | 27.5 | Very low | 51 Ų | 51 | 139.7 Ų | 139.7 | 53% | 0.526 | 78% | 0.78 | S | S | . | * | 71.3 | 112.6 | 101.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | D166 | D166-G168 VanDerWaalsContact CG-N 3.32Å; D166-G168 PolarHBondContact OD1-N 2.8Å; D166-G168 PolarHBondContact OD2-N 2.79Å | |||
| 169 | Q | 31.1 | Very low | 27.4 | Very low | 201 Ų | 201 | 134.6 Ų | 134.6 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | trans | -162.8 | 136.8 | 140.5 | -102.1 | 158 | 10.5 | 0 | 0 | 106.1 | ||||
| 170 | G | 25 | Very low | 27.5 | Very low | 64 Ų | 64 | 132.3 Ų | 132.3 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | cis | 99.7 | 111.4 | 42 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 171 | D | 29.7 | Very low | 28.6 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | cis | -140.5 | -178.5 | 24.9 | -77.3 | -43.6 | 0 | 0 | 0 | 115 | ||||
| 172 | Q | 29.1 | Very low | 28.8 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -85.3 | -178.8 | 175.3 | -61.1 | 162.1 | 27.3 | 0 | 0 | 110.4 | ||||
| 173 | Q | 29.5 | Very low | 29 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 73% | 0.729 | 77% | 0.766 | S | S | * | * | 171 | 123.5 | 80.8 | -176.4 | 81.7 | 40.7 | 0 | 0 | 111.3 | |||||
| 174 | V | 24.3 | Very low | 29.2 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | 62.5 | 137.3 | 153.3 | 172.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 175 | C | 22.7 | Very low | 29.8 | Very low | 113 Ų | 113 | 135 Ų | 135 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | cis | 106.4 | 136.9 | 10.5 | -62.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 176 | A | 27.4 | Very low | 29.9 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | trans | 65.3 | 155.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 177 | E | 29 | Very low | 30 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | cis | -166.3 | -180 | -11.6 | -105.9 | 153 | 37.1 | 0 | 0 | 106.1 | ||||
| 178 | E | 28.6 | Very low | 29.4 | Very low | 169 Ų | 169 | 128.3 Ų | 128.3 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | cis | -164.2 | 179.4 | 10.5 | -133.7 | -68.4 | 79.3 | 0 | 0 | 109.5 | ||||
| 179 | A | 26.8 | Very low | 29.4 | Very low | 81 Ų | 81 | 129.4 Ų | 129.4 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | trans | 97.9 | 125 | 144.7 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 180 | D | 28.2 | Very low | 29.1 | Very low | 147 Ų | 147 | 128.1 Ų | 128.1 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -94.7 | -169.5 | 158 | -146.2 | 3.7 | 0 | 0 | 0 | 108.8 | ||||
| 181 | P | 51.3 | Low | 29.1 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | cis | -140 | 154.7 | 29.4 | 40.4 | -19 | 0 | 0 | 0 | 119.9 | ||||
| 182 | E | 28.8 | Very low | 28.9 | Very low | 157 Ų | 157 | 132.5 Ų | 132.5 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | 23.2 | 143.6 | 133.2 | -142.2 | -166.7 | 134.6 | 0 | 0 | 123.2 | ||||
| 183 | L | 29.3 | Very low | 29.1 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | -179.2 | 150 | 123 | -97.8 | 169.8 | 0 | 0 | 0 | 115 | |||||
| 184 | E | 30.4 | Very low | 28.9 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -120.5 | 157.7 | 175.7 | -103.3 | -78.3 | 148.4 | 0 | 0 | 110.4 | A186 | E184-A186 PolarHBondContact OE2-N 2.62Š| ||
| 185 | P | 39.1 | Very low | 29.1 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | -161.1 | 128.8 | 100.8 | 37.9 | -15.8 | 0 | 0 | 0 | 120 | |||||
| 186 | A | 28 | Very low | 29.1 | Very low | 84 Ų | 84 | 133.4 Ų | 133.4 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | 45.1 | 130.8 | 123.3 | 0 | 0 | 0 | 0 | 0 | 125.7 | E184 | E184-A186 PolarHBondContact OE2-N 2.62Š| |||
| 187 | S | 28.9 | Very low | 29 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | 103.4 | 130.4 | 132.4 | -156.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 188 | G | 25.4 | Very low | 28.9 | Very low | 79 Ų | 79 | 133.1 Ų | 133.1 | 81% | 0.814 | 76% | 0.761 | S | S | * | * | trans | 84.6 | 149.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 189 | G | 24.1 | Very low | 28.7 | Very low | 74 Ų | 74 | 133.7 Ų | 133.7 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | cis | 167.8 | 136.8 | -10 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 190 | E | 24.5 | Very low | 28.5 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | 73.2 | 146.1 | 162.4 | -67.1 | -160.3 | 72.3 | 0 | 0 | 124.1 | ||||
| 191 | Q | 25.1 | Very low | 28.4 | Very low | 169 Ų | 169 | 137.9 Ų | 137.9 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | 78.5 | 131.1 | 147.7 | -74.8 | 166.2 | 47.7 | 0 | 0 | 124.2 | ||||
| 192 | E | 26.6 | Very low | 27.2 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | trans | -80.1 | 159 | 160.1 | -147.1 | -153.2 | 104.9 | 0 | 0 | 109.3 | R194 | E192-R194 PolarHBondContact OE1-N 3.02Š| ||
| 193 | P | 32.5 | Very low | 27.1 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | -151.5 | 167.5 | 84.5 | 39.3 | -21 | 0 | 0 | 0 | 116.9 | |||||
| 194 | R | 26.5 | Very low | 27 | Very low | 192 Ų | 192 | 131.9 Ų | 131.9 | 73% | 0.725 | 77% | 0.773 | S | S | * | * | trans | -51.6 | 160.1 | 158 | -77.5 | 175.8 | 164.3 | 165.1 | -2.9 | 114.6 | E192 | E192-R194 PolarHBondContact OE1-N 3.02Š| ||
| 195 | P | 27.6 | Very low | 26.8 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | -123 | 178.5 | 119.6 | 36.2 | -32.2 | 0 | 0 | 0 | 113.9 | |||||
| 196 | Q | 23.6 | Very low | 26.3 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 66% | 0.659 | 78% | 0.782 | S | S | * | * | trans | -130.3 | 165.5 | -176.2 | -55.7 | 178.2 | -50.7 | 0 | 0 | 111.7 | ||||
| 197 | Q | 25 | Very low | 26.3 | Very low | 179 Ų | 179 | 139.7 Ų | 139.7 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | 69.6 | 152.7 | 158.5 | -70.1 | 177 | 10.4 | 0 | 0 | 117.2 | ||||
| 198 | A | 25.6 | Very low | 26.2 | Very low | 79 Ų | 79 | 140.7 Ų | 140.7 | 65% | 0.653 | 78% | 0.784 | S | S | * | * | cis | -168.1 | -172.4 | -15.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 199 | Q | 25.5 | Very low | 26.2 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | 78.3 | 153.9 | 164.6 | -50.8 | -177.8 | -1.4 | 0 | 0 | 115.8 | ||||
| 200 | T | 22.9 | Very low | 26.4 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | cis | -156.8 | 167.8 | 8 | -12.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 201 | K | 26.2 | Very low | 26.7 | Very low | 196 Ų | 196 | 145.9 Ų | 145.9 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | trans | 70.2 | 133.4 | 166.4 | -63.9 | 176.6 | 178.7 | 178.3 | 0 | 117.4 | ||||
| 202 | A | 25 | Very low | 26.8 | Very low | 103 Ų | 103 | 146.8 Ų | 146.8 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | cis | 99.7 | 105.2 | 5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 203 | A | 26.7 | Very low | 27.4 | Very low | 89 Ų | 89 | 143.9 Ų | 143.9 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | -169 | 121.8 | 147.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 204 | S | 27 | Very low | 27.4 | Very low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | 61 | 133.2 | 89.7 | -52.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 205 | Q | 28 | Very low | 27.6 | Very low | 191 Ų | 191 | 138.4 Ų | 138.4 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | cis | -137.6 | 176.1 | 37.8 | -66.2 | 175.7 | -7.6 | 0 | 0 | 114.6 | ||||
| 206 | I | 26.6 | Very low | 28.1 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -106.6 | 145.9 | -176.6 | -64.2 | 157.6 | 0 | 0 | 0 | 109.9 | ||||
| 207 | L | 29.3 | Very low | 28.5 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -143.7 | 161.7 | 141.8 | -108.5 | 173.5 | 0 | 0 | 0 | 109.6 | ||||
| 208 | E | 26.1 | Very low | 29 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 70% | 0.696 | 81% | 0.81 | S | S | * | * | trans | -136.5 | 143.9 | -147.6 | 176.6 | -172.9 | 137 | 0 | 0 | 111.5 | ||||
| 209 | N | 26 | Very low | 29.4 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | 166.9 | 152.2 | 138.6 | -98.3 | -73.6 | 0 | 0 | 0 | 112.5 | ||||
| 210 | G | 29.1 | Very low | 29.9 | Very low | 77 Ų | 77 | 135.3 Ų | 135.3 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | 110.5 | 97.5 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 211 | E | 29.7 | Very low | 30.6 | Very low | 199 Ų | 199 | 135.4 Ų | 135.4 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -82.2 | 133.6 | 163.5 | -69.1 | 165.7 | 61 | 0 | 0 | 111.2 | ||||
| 212 | E | 27.4 | Very low | 31.2 | Very low | 187 Ų | 187 | 136.7 Ų | 136.7 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -158.6 | 151.3 | 134.1 | -139.4 | -177.2 | 116.5 | 0 | 0 | 110.1 | ||||
| 213 | A | 39.6 | Very low | 31.5 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -143.1 | 121.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 214 | P | 32.6 | Very low | 31.9 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | -141.5 | 132 | 152.4 | 34.8 | -18.6 | 0 | 0 | 0 | 115 | ||||
| 215 | G | 30.2 | Very low | 32.2 | Very low | 73 Ų | 73 | 142.3 Ų | 142.3 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | 94.7 | 141.2 | 150.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 216 | P | 38.5 | Very low | 32.6 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 145.2 | 165.8 | 34 | -32.5 | 0 | 0 | 0 | 111.5 | ||
| 217 | D | 31.1 | Very low | 32.9 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 143.7 | -178.9 | -69.7 | -63 | 0 | 0 | 0 | 113.9 | ||
| 218 | P | 35 | Very low | 33.4 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72 | 129.8 | 176.9 | 29.7 | -33.9 | 0 | 0 | 0 | 111.7 | ||
| 219 | S | 34.3 | Very low | 33.6 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 53% | 0.531 | 78% | 0.782 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 149.6 | -176.6 | 78.9 | 0 | 0 | 0 | 0 | 113.7 | D221 | S219-D221 WeakPolarHBondContact CB-OD2 3.28Å; S219-D221 PolarHBondContact O-N 2.9Å; S219-D221 VanDerWaalsContact O-N 3.09Å; S219-D221 PolarHBondContact OG-OD2 2.93Å |
| 220 | L | 36.8 | Very low | 34.6 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -61.3 | -16.2 | 180 | -74.2 | 162.6 | 0 | 0 | 0 | 114 | R222 M223 | L220-R222 PolarHBondContact O-N 3.23Å; L220-R222 VanDerWaalsContact O-N 3.12Å; L220-M223 PolarHBondContact O-N 3.39Å |
| 221 | D | 37.3 | Very low | 35 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 66% | 0.658 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -56.5 | -28.6 | -180 | -60.8 | -75.1 | 0 | 0 | 0 | 113.6 | S219 M223 | S219-D221 WeakPolarHBondContact CB-OD2 3.28Å; S219-D221 PolarHBondContact O-N 2.9Å; S219-D221 VanDerWaalsContact O-N 3.09Å; S219-D221 PolarHBondContact OG-OD2 2.93Å; D221-M223 VanDerWaalsContact C-N 3.3Å; D221-M223 PolarHBondContact O-N 3.16Å |
| 222 | R | 39 | Very low | 35.4 | Very low | 223 Ų | 223 | 127 Ų | 127 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -75.8 | -12.2 | -171.5 | -157.1 | 168.8 | -176.6 | 176.5 | 1.1 | 114.5 | L220 | L220-R222 PolarHBondContact O-N 3.23Å; L220-R222 VanDerWaalsContact O-N 3.12Å |
| 223 | M | 31 | Very low | 35.9 | Very low | 167 Ų | 167 | 124.9 Ų | 124.9 | 82% | 0.823 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -88.8 | -15.8 | 179.1 | -76.6 | -167.7 | 165.8 | 0 | 0 | 114.9 | L220 D221 | L220-M223 PolarHBondContact O-N 3.39Å; D221-M223 VanDerWaalsContact C-N 3.3Å; D221-M223 PolarHBondContact O-N 3.16Å |
| 224 | L | 36.2 | Very low | 36.1 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -7.7 | -175.9 | -63.7 | 179.6 | 0 | 0 | 0 | 114.6 | S226 | L224-S226 VanDerWaalsContact C-N 3.32Å; L224-S226 PolarHBondContact O-N 2.79Å |
| 225 | S | 31.5 | Very low | 36.5 | Very low | 106 Ų | 106 | 124.6 Ų | 124.6 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -0.6 | -176.4 | -59.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 226 | S | 37.3 | Very low | 37.3 | Very low | 97 Ų | 97 | 126.5 Ų | 126.5 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | trans | -124.3 | 66.6 | -168.9 | -63.4 | 0 | 0 | 0 | 0 | 112.8 | L224 | L224-S226 VanDerWaalsContact C-N 3.32Å; L224-S226 PolarHBondContact O-N 2.79Å | ||
| 227 | S | 33.4 | Very low | 37.6 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | -148.6 | 49.5 | 174.6 | -79.3 | 0 | 0 | 0 | 0 | 113.5 | S229 | S227-S229 PolarHBondContact O-N 3.48Å; S227-S229 VanDerWaalsContact O-N 3.17Å | ||
| 228 | S | 38.8 | Very low | 38.5 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 83% | 0.825 | 70% | 0.703 | S | S | * | * | trans | -79.5 | 81.7 | 171.4 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 229 | S | 32 | Very low | 38.9 | Very low | 95 Ų | 95 | 116 Ų | 116 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | trans | -149.5 | 57.8 | 174.3 | -80.6 | 0 | 0 | 0 | 0 | 113.8 | S227 S231 | S227-S229 PolarHBondContact O-N 3.48Å; S227-S229 VanDerWaalsContact O-N 3.17Å; S229-S231 VanDerWaalsContact C-N 3.33Å; S229-S231 PolarHBondContact O-N 2.95Å | ||
| 230 | V | 45.3 | Very low | 39.6 | Very low | 159 Ų | 159 | 116.1 Ų | 116.1 | 96% | 0.964 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 58.8 | 171.9 | -72.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 231 | S | 37.8 | Very low | 40.2 | Very low | 91 Ų | 91 | 111.7 Ų | 111.7 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.4 | -11.4 | -171.8 | 44.5 | 0 | 0 | 0 | 0 | 116.3 | S229 | S229-S231 VanDerWaalsContact C-N 3.33Å; S229-S231 PolarHBondContact O-N 2.95Å |
| 232 | S | 39.1 | Very low | 40.8 | Very low | 105 Ų | 105 | 111.6 Ų | 111.6 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | trans | -109.9 | 28.8 | -168.2 | -55.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 233 | L | 37.9 | Very low | 41.1 | Very low | 143 Ų | 143 | 106.8 Ų | 106.8 | 75% | 0.749 | 67% | 0.665 | S | S | * | * | trans | -121.6 | 38 | 179.3 | -72.7 | 178.1 | 0 | 0 | 0 | 114.4 | S235 | L233-S235 PolarHBondContact O-N 2.83Š| ||
| 234 | N | 43.7 | Very low | 41.8 | Very low | 155 Ų | 155 | 104.1 Ų | 104.1 | 83% | 0.829 | 66% | 0.663 | S | S | * | * | trans | -73.3 | 54.3 | 164.5 | -81.5 | -8.7 | 0 | 0 | 0 | 112.2 | S236 | N234-S236 PolarHBondContact O-N 3.04Š| ||
| 235 | S | 40.5 | Very low | 42 | Very low | 52 Ų | 52 | 104 Ų | 104 | 36% | 0.364 | 66% | 0.663 | S | S | . | * | trans | -74.6 | 120.1 | 165.2 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | L233 T237 L238 | L233-S235 PolarHBondContact O-N 2.83Å; S235-T237 PolarHBondContact O-N 3.21Å; S235-T237 PolarHBondContact OG-OG1 2.83Å; S235-L238 PolarHBondContact O-N 3.45Å | ||
| 236 | S | 47.3 | Very low | 42.7 | Very low | 113 Ų | 113 | 104.1 Ų | 104.1 | 79% | 0.79 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -59.1 | -5.1 | 178.7 | 52.2 | 0 | 0 | 0 | 0 | 114.6 | N234 | N234-S236 PolarHBondContact O-N 3.04Š|
| 237 | T | 45.5 | Very low | 43 | Very low | 63 Ų | 63 | 101.2 Ų | 101.2 | 39% | 0.387 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -83.1 | -19.8 | -178.8 | 64.9 | 0 | 0 | 0 | 0 | 114.3 | S235 S239 | S235-T237 PolarHBondContact O-N 3.21Å; S235-T237 PolarHBondContact OG-OG1 2.83Å; T237-S239 VanDerWaalsContact C-N 3.32Å; T237-S239 PolarHBondContact O-N 2.98Å |
| 238 | L | 48.1 | Very low | 43.5 | Very low | 64 Ų | 64 | 104 Ų | 104 | 34% | 0.335 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -85.2 | 0.6 | -179.3 | -63.7 | 178.5 | 0 | 0 | 0 | 114.2 | S235 G240 S241 | S235-L238 PolarHBondContact O-N 3.45Å; L238-G240 VanDerWaalsContact C-N 3.27Å; L238-G240 PolarHBondContact O-N 3.43Å; L238-G240 VanDerWaalsContact O-N 3.07Å; L238-S241 PolarHBondContact O-N 3.17Å |
| 239 | S | 45.4 | Very low | 44 | Very low | 64 Ų | 64 | 100.8 Ų | 100.8 | 45% | 0.448 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -46 | -43.7 | -172.6 | -179.7 | 0 | 0 | 0 | 0 | 114.2 | T237 S241 Q242 M243 | T237-S239 VanDerWaalsContact C-N 3.32Å; T237-S239 PolarHBondContact O-N 2.98Å; S239-S241 PolarHBondContact O-N 3.04Å; S239-Q242 PolarHBondContact O-N 3.45Å; S239-M243 WeakPolarHBondContact O-CE 3.24Å |
| 240 | G | 47.8 | Very low | 45.1 | Very low | 78 Ų | 78 | 105.1 Ų | 105.1 | 80% | 0.804 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -65.2 | 4.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | L238 | L238-G240 VanDerWaalsContact C-N 3.27Å; L238-G240 PolarHBondContact O-N 3.43Å; L238-G240 VanDerWaalsContact O-N 3.07Å |
| 241 | S | 50.4 | Low | 45.8 | Very low | 63 Ų | 63 | 102.2 Ų | 102.2 | 44% | 0.441 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -120.7 | -0.3 | 169.1 | -59.5 | 0 | 0 | 0 | 0 | 114.5 | L238 S239 | L238-S241 PolarHBondContact O-N 3.17Å; S239-S241 PolarHBondContact O-N 3.04Å |
| 242 | Q | 48.5 | Very low | 47.3 | Very low | 121 Ų | 121 | 101.4 Ų | 101.4 | 57% | 0.565 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -20.8 | 176.4 | -62.1 | -162.1 | 22.7 | 0 | 0 | 113.5 | S239 S244 | S239-Q242 PolarHBondContact O-N 3.45Å; Q242-S244 PolarHBondContact O-N 3.15Å |
| 243 | M | 46.3 | Very low | 49.1 | Very low | 121 Ų | 121 | 104 Ų | 104 | 60% | 0.596 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 85.8 | -176.7 | -104.1 | 50.5 | 69.6 | 0 | 0 | 112.9 | S239 | S239-M243 WeakPolarHBondContact O-CE 3.24Š|
| 244 | S | 44.9 | Very low | 51.2 | Low | 111 Ų | 111 | 103.4 Ų | 103.4 | 78% | 0.776 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.9 | 4.8 | 159.1 | -69.3 | 0 | 0 | 0 | 0 | 113.5 | Q242 | Q242-S244 PolarHBondContact O-N 3.15Š|
| 245 | L | 41.8 | Very low | 53.2 | Low | 150 Ų | 150 | 105.1 Ų | 105.1 | 79% | 0.785 | 63% | 0.626 | S | S | * | * | trans | -98.2 | -8.5 | -179.8 | -58.4 | 179.1 | 0 | 0 | 0 | 113.5 | G247 | L245-G247 VanDerWaalsContact C-N 3.28Å; L245-G247 PolarHBondContact O-N 3.29Å | ||
| 246 | S | 44.3 | Very low | 55.5 | Low | 109 Ų | 109 | 104.8 Ų | 104.8 | 76% | 0.762 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -79.1 | 69.1 | 179.6 | 59.2 | 0 | 0 | 0 | 0 | 112 | ||
| 247 | G | 44.4 | Very low | 57.8 | Low | 35 Ų | 35 | 101.9 Ų | 101.9 | 36% | 0.361 | 61% | 0.611 | S | S | . | * | S | Bend | trans | 164 | 105.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L245 A249 R285 | L245-G247 VanDerWaalsContact C-N 3.28Å; L245-G247 PolarHBondContact O-N 3.29Å; G247-A249 WeakPolarHBondContact O-CB 3.15Å; G247-A249 PolarHBondContact O-N 3.18Å; G247-R285 PolarHBondContact O-NH2 3.3Å |
| 248 | D | 44.5 | Very low | 60.1 | Low | 173 Ų | 173 | 102.4 Ų | 102.4 | 93% | 0.925 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 2.9 | 81.5 | 170.5 | -167.3 | 27.1 | 0 | 0 | 0 | 115.1 | ||
| 249 | A | 49.1 | Very low | 62.4 | Low | 51 Ų | 51 | 102.8 Ų | 102.8 | 42% | 0.421 | 61% | 0.614 | S | S | . | * | trans | -153.1 | 115.2 | 178 | 0 | 0 | 0 | 0 | 0 | 108.2 | G247 A251 | G247-A249 WeakPolarHBondContact O-CB 3.15Å; G247-A249 PolarHBondContact O-N 3.18Å; A249-A251 PolarHBondContact O-N 2.94Å | ||
| 250 | E | 54 | Low | 64.9 | Low | 186 Ų | 186 | 105.2 Ų | 105.2 | 87% | 0.869 | 62% | 0.616 | S | S | * | * | trans | -25 | 119.9 | 164.6 | -163 | 173.4 | -149 | 0 | 0 | 112 | V252 | E250-V252 WeakPolarHBondContact O-CG2 3.5Å; E250-V252 PolarHBondContact O-N 2.6Å | ||
| 251 | A | 59.9 | Low | 67.1 | Low | 98 Ų | 98 | 103.6 Ų | 103.6 | 81% | 0.81 | 60% | 0.595 | S | S | * | * | trans | -62.4 | 98 | -168.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A249 Q253 | A249-A251 PolarHBondContact O-N 2.94Å; A251-Q253 PolarHBondContact O-N 3.3Å | ||
| 252 | V | 69.4 | Low | 69.1 | Low | 74 Ų | 74 | 105.8 Ų | 105.8 | 45% | 0.448 | 60% | 0.602 | S | S | . | * | trans | -66.3 | 105.6 | -171.5 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | E250 V254 A282 | E250-V252 WeakPolarHBondContact O-CG2 3.5Å; E250-V252 PolarHBondContact O-N 2.6Å; V252-V254 PolarHBondContact O-N 3.18Å; V252-V254 VanDerWaalsContact O-N 3.11Å; V252-A282 HydrophobicContact CG1-CB 3.78Å | ||
| 253 | Q | 77.2 | Confident | 70.9 | Confident | 159 Ų | 159 | 105.2 Ų | 105.2 | 74% | 0.743 | 60% | 0.599 | S | S | * | * | trans | -51.5 | 117.4 | 178 | -178.4 | 60.3 | 55.6 | 0 | 0 | 110.5 | A251 R255 A282 | A251-Q253 PolarHBondContact O-N 3.3Å; Q253-R255 PolarHBondContact O-N 2.93Å; Q253-A282 WeakPolarHBondContact O-CB 3.22Å | ||
| 254 | V | 82.2 | Confident | 72.5 | Confident | 131 Ų | 131 | 105.7 Ų | 105.7 | 79% | 0.794 | 60% | 0.595 | S | S | * | * | trans | -62.3 | 124.2 | 179.3 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | V252 | V252-V254 PolarHBondContact O-N 3.18Å; V252-V254 VanDerWaalsContact O-N 3.11Å | ||
| 255 | R | 85.4 | Confident | 74.1 | Confident | 191 Ų | 191 | 103.5 Ų | 103.5 | 72% | 0.721 | 57% | 0.572 | S | S | * | * | trans | -150.5 | 145.6 | -177.2 | -170.2 | -176.8 | 177 | 174.2 | 0.5 | 110.6 | Q253 G280 L281 A282 | Q253-R255 PolarHBondContact O-N 2.93Å; R255-G280 CarbonylContact C-O 3.59Å; R255-L281 WeakPolarHBondContact O-CA 3.33Å; R255-A282 HydrophobicContact CB-CB 4.4Å; R255-A282 PolarHBondContact O-N 3.26Å | ||
| 256 | G | 90.1 | Very high | 74.9 | Confident | 46 Ų | 46 | 101.1 Ų | 101.1 | 47% | 0.474 | 57% | 0.566 | S | S | . | * | trans | 130.4 | 171.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q279 G280 | G256-Q279 CarbonylContact C-O 3.54Å; G256-Q279 WeakPolarHBondContact CA-O 3.09Å; G256-G280 WeakPolarHBondContact CA-O 3.44Å | ||
| 257 | S | 93.7 | Very high | 75.7 | Confident | 52 Ų | 52 | 100.1 Ų | 100.1 | 36% | 0.364 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125 | 154.9 | 172.2 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | C278 Q279 | S257-C278 CarbonylContact O-C 3.49Å; S257-C278 WeakPolarHBondContact O-CA 3.41Å; S257-C278 WeakPolarHBondContact O-CB 3.39Å; S257-Q279 PolarHBondContact N-O 3.02Å; S257-Q279 PolarHBondContact O-N 3.02Å |
| 258 | V | 95.3 | Very high | 76.7 | Confident | 73 Ų | 73 | 100.8 Ų | 100.8 | 44% | 0.442 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.2 | 122.6 | 173.8 | -172.9 | 0 | 0 | 0 | 0 | 107.8 | F260 | V258-F260 HydrophobicContact CG1-CD1 4.34Å |
| 259 | H | 96.9 | Very high | 77.8 | Confident | 73 Ų | 73 | 93.6 Ų | 93.6 | 34% | 0.338 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 123.6 | 172.7 | -63.2 | 69.7 | 0 | 0 | 0 | 108.3 | I276 Q277 Q279 | H259-I276 HydrophobicContact CB-CB 4.37Å; H259-I276 WeakPolarHBondContact O-CB 3.17Å; H259-I276 PolarHBondContact O-N 2.87Å; H259-Q277 HydrophobicContact CB-CG 3.88Å; H259-Q277 PolarHBondContact N-O 3.26Å; H259-Q277 PolarHBondContact O-N 2.9Å; H259-Q279 VanDerWaalsContact CE1-CD 3.48Å |
| 260 | F | 97 | Very high | 79.2 | Confident | 114 Ų | 114 | 92.4 Ų | 92.4 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 161.5 | 178.9 | 65.1 | -83.1 | 0 | 0 | 0 | 109.9 | V258 L262 H274 | V258-F260 HydrophobicContact CG1-CD1 4.34Å; F260-L262 HydrophobicContact CD2-CD2 4.02Å; F260-L262 HydrophobicContact CD2-CG 4.16Å; F260-L262 HydrophobicContact CE2-CD1 4.27Å; F260-L262 HydrophobicContact CE2-CD2 4.07Å; F260-L262 HydrophobicContact CE2-CG 3.98Å; F260-H274 CarbonylContact C-O 3.49Å; F260-H274 WeakPolarHBondContact CA-O 3.29Å; F260-H274 WeakPolarHBondContact CB-O 3.26Å |
| 261 | A | 94 | Very high | 80.5 | Confident | 44 Ų | 44 | 85.9 Ų | 85.9 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 150.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110 | H274 | A261-H274 HydrophobicContact CB-CB 4.42Å; A261-H274 PolarHBondContact N-O 3.12Å; A261-H274 PolarHBondContact O-N 2.82Å |
| 262 | L | 91.3 | Very high | 81.9 | Confident | 110 Ų | 110 | 83.9 Ų | 83.9 | 58% | 0.576 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 136.2 | 173.8 | -59.6 | 179.2 | 0 | 0 | 0 | 108.8 | F260 V273 | F260-L262 HydrophobicContact CD2-CD2 4.02Å; F260-L262 HydrophobicContact CD2-CG 4.16Å; F260-L262 HydrophobicContact CE2-CD1 4.27Å; F260-L262 HydrophobicContact CE2-CD2 4.07Å; F260-L262 HydrophobicContact CE2-CG 3.98Å; L262-V273 HydrophobicContact CD2-CB 4.26Å; L262-V273 HydrophobicContact CD2-CG1 4.05Å; L262-V273 HydrophobicContact CD2-CG2 3.83Å |
| 263 | H | 87.4 | Confident | 83.1 | Confident | 109 Ų | 109 | 81 Ų | 81 | 51% | 0.505 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 129.9 | 173.8 | -178.1 | -75.6 | 0 | 0 | 0 | 109.1 | R272 | H263-R272 HydrophobicContact CB-CB 4.36Å; H263-R272 PolarHBondContact N-O 3.33Å; H263-R272 WeakPolarHBondContact O-CB 3.37Å; H263-R272 PolarHBondContact O-N 2.7Å |
| 264 | Y | 79.1 | Confident | 84 | Confident | 130 Ų | 130 | 76.5 Ų | 76.5 | 51% | 0.51 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 135.3 | 172.7 | 179.9 | -113.4 | 0 | 0 | 0 | 109.4 | P266 A269 | Y264-P266 HydrophobicContact CD1-CG 3.98Å; Y264-P266 HydrophobicContact CE1-CB 4.14Å; Y264-P266 HydrophobicContact CE1-CG 3.99Å; Y264-P266 WeakPolarHBondContact O-CD 3.36Å; Y264-A269 WeakPolarHBondContact OH-CA 3.32Å |
| 265 | E | 79.6 | Confident | 84.7 | Confident | 65 Ų | 65 | 70.4 Ų | 70.4 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 98.6 | 177.9 | -174.2 | 160 | 101.5 | 0 | 0 | 110 | G267 A268 A269 E270 R272 | E265-G267 VanDerWaalsContact C-N 3.32Å; E265-G267 PolarHBondContact O-N 3.17Å; E265-A268 HydrophobicContact CG-CB 4.25Å; E265-A268 PolarHBondContact O-N 3.08Å; E265-A268 VanDerWaalsContact O-N 3.09Å; E265-A269 PolarHBondContact O-N 3.5Å; E265-E270 PolarHBondContact N-O 3.07Å; E265-E270 PolarHBondContact O-N 2.89Å; E265-R272 VanDerWaalsContact CD-NH2 3.27Å; E265-R272 IonicContact OE1-CZ 3.3Å; E265-R272 IonicContact OE1-NH1 3.39Å; E265-R272 IonicContact OE1-NH2 3.21Å; E265-R272 PolarHBondContact OE1-NH2 3.28Å; E265-R272 IonicContact OE2-CZ 2.72Å; E265-R272 VanDerWaalsContact OE2-CZ 3.3Å; E265-R272 IonicContact OE2-NH1 2.98Å; E265-R272 PolarHBondContact OE2-NH1 2.62Å; E265-R272 IonicContact OE2-NH2 3.62Å; E265-R272 PolarHBondContact OE2-NH2 3.45Å |
| 266 | P | 57.6 | Low | 85.3 | Confident | 101 Ų | 101 | 63.9 Ų | 63.9 | 66% | 0.656 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -58.3 | -39.3 | -170.4 | -27.1 | 34.8 | 0 | 0 | 0 | 114.2 | Y264 A268 A269 | Y264-P266 HydrophobicContact CD1-CG 3.98Å; Y264-P266 HydrophobicContact CE1-CB 4.14Å; Y264-P266 HydrophobicContact CE1-CG 3.99Å; Y264-P266 WeakPolarHBondContact O-CD 3.36Å; P266-A268 PolarHBondContact O-N 2.9Å; P266-A269 PolarHBondContact O-N 3.13Å |
| 267 | G | 62.1 | Low | 85.6 | Confident | 87 Ų | 87 | 64.3 Ų | 64.3 | 90% | 0.897 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -67.7 | -17.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E265 | E265-G267 VanDerWaalsContact C-N 3.32Å; E265-G267 PolarHBondContact O-N 3.17Å |
| 268 | A | 65.4 | Low | 85.7 | Confident | 49 Ų | 49 | 62 Ų | 62 | 41% | 0.405 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -112.5 | -2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E265 P266 E270 | E265-A268 HydrophobicContact CG-CB 4.25Å; E265-A268 PolarHBondContact O-N 3.08Å; E265-A268 VanDerWaalsContact O-N 3.09Å; P266-A268 PolarHBondContact O-N 2.9Å; A268-E270 HydrophobicContact CB-CB 4.04Å; A268-E270 PolarHBondContact O-N 2.81Å |
| 269 | A | 66.8 | Low | 85.6 | Confident | 22 Ų | 22 | 62.3 Ų | 62.3 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 26.9 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y264 E265 P266 P326 | Y264-A269 WeakPolarHBondContact OH-CA 3.32Å; E265-A269 PolarHBondContact O-N 3.5Å; P266-A269 PolarHBondContact O-N 3.13Å; A269-P326 HydrophobicContact CB-CB 3.89Å; A269-P326 HydrophobicContact CB-CG 3.99Å; A269-P326 WeakPolarHBondContact O-CB 3.41Å; A269-P326 WeakPolarHBondContact O-CD 3.47Å |
| 270 | E | 78.3 | Confident | 85.3 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 129.4 | -169.6 | -171.9 | 178.4 | -115.2 | 0 | 0 | 111.8 | E265 A268 R272 R323 | E265-E270 PolarHBondContact N-O 3.07Å; E265-E270 PolarHBondContact O-N 2.89Å; A268-E270 HydrophobicContact CB-CB 4.04Å; A268-E270 PolarHBondContact O-N 2.81Å; E270-R272 HydrophobicContact CG-CG 4.31Å; E270-R272 IonicContact OE2-CZ 3.27Å; E270-R272 IonicContact OE2-NE 3.75Å; E270-R272 PolarHBondContact OE2-NE 3.28Å; E270-R272 IonicContact OE2-NH2 2.73Å; E270-R272 PolarHBondContact OE2-NH2 2.66Å; E270-R323 WeakPolarHBondContact OE1-CB 3.24Å; E270-R323 VanDerWaalsContact OE1-CD 3.3Å; E270-R323 WeakPolarHBondContact OE1-CD 3.5Å |
| 271 | L | 81.8 | Confident | 85 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 25% | 0.251 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 115.7 | 170.3 | 177.1 | 63 | 0 | 0 | 0 | 110.1 | L297 V324 | L271-L297 HydrophobicContact CD2-CD1 4.38Å; L271-V324 HydrophobicContact CB-CB 4.29Å; L271-V324 PolarHBondContact N-O 3.23Å; L271-V324 WeakPolarHBondContact O-CB 3.43Å; L271-V324 PolarHBondContact O-N 3.27Å |
| 272 | R | 90 | Very high | 84.7 | Confident | 57 Ų | 57 | 56 Ų | 56 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 116.4 | 178.2 | -65.7 | -175.9 | 176.9 | 143.5 | 20.2 | 110.4 | H263 E265 E270 T321 | H263-R272 HydrophobicContact CB-CB 4.36Å; H263-R272 PolarHBondContact N-O 3.33Å; H263-R272 WeakPolarHBondContact O-CB 3.37Å; H263-R272 PolarHBondContact O-N 2.7Å; E265-R272 VanDerWaalsContact CD-NH2 3.27Å; E265-R272 IonicContact OE1-CZ 3.3Å; E265-R272 IonicContact OE1-NH1 3.39Å; E265-R272 IonicContact OE1-NH2 3.21Å; E265-R272 PolarHBondContact OE1-NH2 3.28Å; E265-R272 IonicContact OE2-CZ 2.72Å; E265-R272 VanDerWaalsContact OE2-CZ 3.3Å; E265-R272 IonicContact OE2-NH1 2.98Å; E265-R272 PolarHBondContact OE2-NH1 2.62Å; E265-R272 IonicContact OE2-NH2 3.62Å; E265-R272 PolarHBondContact OE2-NH2 3.45Å; E270-R272 HydrophobicContact CG-CG 4.31Å; E270-R272 IonicContact OE2-CZ 3.27Å; E270-R272 IonicContact OE2-NE 3.75Å; E270-R272 PolarHBondContact OE2-NE 3.28Å; E270-R272 IonicContact OE2-NH2 2.73Å; E270-R272 PolarHBondContact OE2-NH2 2.66Å; R272-T321 HydrophobicContact CB-CG2 3.79Å; R272-T321 HydrophobicContact CG-CG2 4.11Å |
| 273 | V | 93.5 | Very high | 84.3 | Confident | 14 Ų | 14 | 52.9 Ų | 52.9 | 9% | 0.085 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 98.3 | 172.7 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | L262 V275 L322 V324 | L262-V273 HydrophobicContact CD2-CB 4.26Å; L262-V273 HydrophobicContact CD2-CG1 4.05Å; L262-V273 HydrophobicContact CD2-CG2 3.83Å; V273-V275 HydrophobicContact CG1-CG2 4.4Å; V273-V275 PolarHBondContact O-N 2.82Å; V273-L322 HydrophobicContact CB-CB 4.34Å; V273-L322 PolarHBondContact N-O 2.68Å; V273-L322 PolarHBondContact O-N 2.88Å; V273-V324 HydrophobicContact CG2-CG2 4.41Å |
| 274 | H | 96.1 | Very high | 83.6 | Confident | 64 Ų | 64 | 49.9 Ų | 49.9 | 30% | 0.296 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 104.9 | 177.2 | 179.8 | -143.6 | 0 | 0 | 0 | 109.9 | F260 A261 I276 | F260-H274 CarbonylContact C-O 3.49Å; F260-H274 WeakPolarHBondContact CA-O 3.29Å; F260-H274 WeakPolarHBondContact CB-O 3.26Å; A261-H274 HydrophobicContact CB-CB 4.42Å; A261-H274 PolarHBondContact N-O 3.12Å; A261-H274 PolarHBondContact O-N 2.82Å; H274-I276 PolarHBondContact O-N 3.4Å |
| 275 | V | 97.1 | Very high | 82.9 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 109.7 | 176.3 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | V273 V293 T307 F318 N319 E320 L322 | V273-V275 HydrophobicContact CG1-CG2 4.4Å; V273-V275 PolarHBondContact O-N 2.82Å; V275-V293 HydrophobicContact CG1-CB 4.11Å; V275-V293 HydrophobicContact CG1-CG1 4.42Å; V275-V293 HydrophobicContact CG1-CG2 3.81Å; V275-V293 HydrophobicContact CG2-CB 4.48Å; V275-V293 HydrophobicContact CG2-CG1 4.22Å; V275-T307 HydrophobicContact CB-CG2 4.03Å; V275-T307 HydrophobicContact CG1-CG2 4.1Å; V275-T307 HydrophobicContact CG2-CG2 4.09Å; V275-F318 HydrophobicContact CB-CB 4.36Å; V275-F318 HydrophobicContact CG1-CB 4Å; V275-F318 HydrophobicContact CG1-CD2 3.74Å; V275-F318 HydrophobicContact CG1-CG 4.02Å; V275-F318 WeakPolarHBondContact O-CB 3.42Å; V275-N319 WeakPolarHBondContact O-CA 2.98Å; V275-N319 PolarHBondContact O-N 2.82Å; V275-E320 PolarHBondContact N-O 3.11Å; V275-E320 PolarHBondContact O-N 3.43Å; V275-L322 HydrophobicContact CG2-CD1 3.97Å; V275-L322 HydrophobicContact CG2-CG 4.16Å |
| 276 | I | 97.3 | Very high | 82.4 | Confident | 55 Ų | 55 | 60.3 Ų | 60.3 | 28% | 0.282 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -68.7 | -174.1 | -54.6 | 167.1 | 0 | 0 | 0 | 108.9 | H259 H274 F318 N319 | H259-I276 HydrophobicContact CB-CB 4.37Å; H259-I276 WeakPolarHBondContact O-CB 3.17Å; H259-I276 PolarHBondContact O-N 2.87Å; H274-I276 PolarHBondContact O-N 3.4Å; I276-F318 PolarHBondContact O-N 2.77Å; I276-N319 PolarHBondContact O-N 3.46Å; I276-N319 PolarHBondContact O-OD1 2.99Å |
| 277 | Q | 96.8 | Very high | 82.6 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 160.3 | -176.6 | 62.9 | 179.4 | -7.5 | 0 | 0 | 112.2 | H259 P316 V317 | H259-Q277 HydrophobicContact CB-CG 3.88Å; H259-Q277 PolarHBondContact N-O 3.26Å; H259-Q277 PolarHBondContact O-N 2.9Å; Q277-P316 CarbonylContact C-O 3.38Å; Q277-P316 WeakPolarHBondContact CA-O 3.27Å; Q277-P316 WeakPolarHBondContact CB-O 3.35Å; Q277-V317 HydrophobicContact CB-CG2 4.17Å |
| 278 | C | 96.1 | Very high | 83 | Confident | 4 Ų | 4 | 69 Ų | 69 | 3% | 0.027 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 156.9 | 159.7 | -51.8 | 0 | 0 | 0 | 0 | 110.5 | S257 L281 N315 P316 | S257-C278 CarbonylContact O-C 3.49Å; S257-C278 WeakPolarHBondContact O-CA 3.41Å; S257-C278 WeakPolarHBondContact O-CB 3.39Å; C278-L281 HydrophobicContact CB-CD1 3.78Å; C278-L281 HydrophobicContact CB-CD2 3.84Å; C278-L281 HydrophobicContact CB-CG 3.81Å; C278-N315 CarbonylContact O-C 3.47Å; C278-N315 WeakPolarHBondContact O-CA 3.1Å; C278-P316 HydrophobicContact CB-CG 3.77Å; C278-P316 PolarHBondContact N-O 3.19Å |
| 279 | Q | 94 | Very high | 83.9 | Confident | 79 Ų | 79 | 67.3 Ų | 67.3 | 37% | 0.369 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 146.1 | 175.5 | -64.3 | 179.5 | 0.3 | 0 | 0 | 111 | G256 S257 H259 L281 N315 | G256-Q279 CarbonylContact C-O 3.54Å; G256-Q279 WeakPolarHBondContact CA-O 3.09Å; S257-Q279 PolarHBondContact N-O 3.02Å; S257-Q279 PolarHBondContact O-N 3.02Å; H259-Q279 VanDerWaalsContact CE1-CD 3.48Å; Q279-L281 VanDerWaalsContact C-N 3.26Å; Q279-L281 PolarHBondContact O-N 3.09Å; Q279-N315 WeakPolarHBondContact CA-OD1 3.18Å |
| 280 | G | 90.7 | Very high | 85 | Confident | 32 Ų | 32 | 69.7 Ų | 69.7 | 33% | 0.33 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 61.8 | 27.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R255 G256 L314 N315 | R255-G280 CarbonylContact C-O 3.59Å; G256-G280 WeakPolarHBondContact CA-O 3.44Å; G280-L314 PolarHBondContact N-O 3.29Å; G280-N315 PolarHBondContact N-OD1 3.48Å |
| 281 | L | 90.9 | Very high | 85.7 | Confident | 38 Ų | 38 | 69.4 Ų | 69.4 | 20% | 0.199 | 33% | 0.327 | C | S | . | . | trans | -59.3 | 144.9 | -178 | -66.7 | 179.6 | 0 | 0 | 0 | 111.9 | R255 C278 Q279 P291 L314 P316 | R255-L281 WeakPolarHBondContact O-CA 3.33Å; C278-L281 HydrophobicContact CB-CD1 3.78Å; C278-L281 HydrophobicContact CB-CD2 3.84Å; C278-L281 HydrophobicContact CB-CG 3.81Å; Q279-L281 VanDerWaalsContact C-N 3.26Å; Q279-L281 PolarHBondContact O-N 3.09Å; L281-P291 HydrophobicContact CD1-CB 3.71Å; L281-P291 HydrophobicContact CD1-CG 3.88Å; L281-L314 HydrophobicContact CB-CB 4.46Å; L281-L314 WeakPolarHBondContact CB-O 3.19Å; L281-L314 WeakPolarHBondContact CG-O 3.29Å; L281-L314 PolarHBondContact N-O 3.1Å; L281-P316 HydrophobicContact CD1-CG 3.76Å | ||
| 282 | A | 87.4 | Confident | 86.3 | Confident | 29 Ų | 29 | 72.1 Ų | 72.1 | 24% | 0.24 | 34% | 0.335 | C | S | . | . | trans | -59.6 | 142.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V252 Q253 R255 A284 S289 | V252-A282 HydrophobicContact CG1-CB 3.78Å; Q253-A282 WeakPolarHBondContact O-CB 3.22Å; R255-A282 HydrophobicContact CB-CB 4.4Å; R255-A282 PolarHBondContact O-N 3.26Å; A282-A284 PolarHBondContact O-N 2.72Å; A282-S289 PolarHBondContact O-OG 2.82Å | ||
| 283 | A | 82.9 | Confident | 86.5 | Confident | 43 Ų | 43 | 70.8 Ų | 70.8 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | trans | -86.5 | 109.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S289 L314 | A283-S289 WeakPolarHBondContact CA-OG 3.38Å; A283-L314 HydrophobicContact CB-CD1 4.19Å; A283-L314 HydrophobicContact CB-CD2 4.39Å | ||
| 284 | A | 72.4 | Confident | 86.3 | Confident | 46 Ų | 46 | 73.4 Ų | 73.4 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | trans | -68.8 | 167.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A282 R286 R287 R288 S289 | A282-A284 PolarHBondContact O-N 2.72Å; A284-R286 PolarHBondContact O-N 3.38Å; A284-R287 WeakPolarHBondContact O-CA 3.16Å; A284-R287 PolarHBondContact O-N 2.72Å; A284-R288 PolarHBondContact O-N 2.73Å; A284-S289 PolarHBondContact N-OG 2.98Å | ||
| 285 | R | 64.6 | Low | 85.9 | Confident | 172 Ų | 172 | 71.5 Ų | 71.5 | 65% | 0.649 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -28.3 | 128.5 | -175.3 | -71.4 | 178.8 | 167.9 | -167.3 | -5.5 | 114 | G247 R287 | G247-R285 PolarHBondContact O-NH2 3.3Å; R285-R287 VanDerWaalsContact C-N 3.3Å; R285-R287 PolarHBondContact O-N 3.24Å |
| 286 | R | 67.6 | Low | 85.2 | Confident | 242 Ų | 242 | 74.9 Ų | 74.9 | 91% | 0.913 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | 58.8 | 32.7 | -178.4 | -60.7 | -179.1 | 170 | 179.2 | -4.3 | 114.5 | A284 R288 | A284-R286 PolarHBondContact O-N 3.38Å; R286-R288 VanDerWaalsContact C-N 3.34Å; R286-R288 PolarHBondContact O-N 2.78Å |
| 287 | R | 63.7 | Low | 84.2 | Confident | 231 Ų | 231 | 75.1 Ų | 75.1 | 87% | 0.872 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | 56.6 | 40.6 | 178.3 | -60.4 | -178.8 | 179.1 | -109.6 | -0.1 | 113.5 | A284 R285 | A284-R287 WeakPolarHBondContact O-CA 3.16Å; A284-R287 PolarHBondContact O-N 2.72Å; R285-R287 VanDerWaalsContact C-N 3.3Å; R285-R287 PolarHBondContact O-N 3.24Å |
| 288 | R | 69.3 | Low | 82.8 | Confident | 141 Ų | 141 | 77.2 Ų | 77.2 | 53% | 0.532 | 36% | 0.364 | S | S | . | . | trans | -136.1 | 102.7 | 176.3 | -62.1 | -174.1 | -166.2 | -79.1 | 7.3 | 110.2 | A284 R286 | A284-R288 PolarHBondContact O-N 2.73Å; R286-R288 VanDerWaalsContact C-N 3.34Å; R286-R288 PolarHBondContact O-N 2.78Å | ||
| 289 | S | 83.8 | Confident | 81 | Confident | 13 Ų | 13 | 82.9 Ų | 82.9 | 9% | 0.091 | 40% | 0.401 | C | S | . | . | trans | -100.7 | 132.7 | 167.6 | -53.3 | 0 | 0 | 0 | 0 | 109.7 | A282 A283 A284 P291 R312 N313 L314 | A282-S289 PolarHBondContact O-OG 2.82Å; A283-S289 WeakPolarHBondContact CA-OG 3.38Å; A284-S289 PolarHBondContact N-OG 2.98Å; S289-P291 WeakPolarHBondContact O-CD 3.04Å; S289-R312 CarbonylContact O-C 3.57Å; S289-R312 WeakPolarHBondContact O-CA 3.39Å; S289-R312 PolarHBondContact O-N 2.9Å; S289-N313 PolarHBondContact O-N 2.82Å; S289-N313 VanDerWaalsContact O-N 3.08Å; S289-L314 WeakPolarHBondContact OG-CD2 3.48Å | ||
| 290 | D | 90.9 | Very high | 79.3 | Confident | 72 Ų | 72 | 81.7 Ų | 81.7 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | trans | -112 | 72.9 | 172 | -73.5 | 8.5 | 0 | 0 | 0 | 108.5 | V309 K310 K311 R312 | D290-V309 HydrophobicContact CB-CG1 3.91Å; D290-V309 WeakPolarHBondContact O-CG1 3.07Å; D290-K310 CarbonylContact C-O 3.55Å; D290-K310 WeakPolarHBondContact CA-O 3.31Å; D290-K311 WeakPolarHBondContact OD1-CA 3.48Å; D290-R312 PolarHBondContact OD1-N 2.94Å | ||
| 291 | P | 91.9 | Very high | 77.8 | Confident | 20 Ų | 20 | 86.7 Ų | 86.7 | 13% | 0.13 | 41% | 0.41 | C | S | . | . | trans | -69.7 | 153.9 | -172.6 | 28.2 | -39.3 | 0 | 0 | 0 | 115.2 | L281 S289 K310 N313 P316 | L281-P291 HydrophobicContact CD1-CB 3.71Å; L281-P291 HydrophobicContact CD1-CG 3.88Å; S289-P291 WeakPolarHBondContact O-CD 3.04Å; P291-K310 WeakPolarHBondContact CD-O 3.44Å; P291-K310 PolarHBondContact O-N 3.05Å; P291-N313 VanDerWaalsContact CD-O 3.23Å; P291-N313 WeakPolarHBondContact CD-O 3Å; P291-N313 WeakPolarHBondContact CG-O 3.17Å; P291-P316 HydrophobicContact CB-CG 4.21Å; P291-P316 HydrophobicContact CG-CB 3.94Å; P291-P316 HydrophobicContact CG-CG 3.64Å | ||
| 292 | Y | 94.4 | Very high | 76.4 | Confident | 105 Ų | 105 | 92.3 Ų | 92.3 | 41% | 0.412 | 44% | 0.435 | S | S | . | . | trans | -147.9 | 157.8 | 165.2 | 61.9 | -91.2 | 0 | 0 | 0 | 108 | K294 T307 A308 V309 | Y292-K294 HydrophobicContact CD2-CG 4.21Å; Y292-K294 HydrophobicContact CE2-CD 3.76Å; Y292-K294 VanDerWaalsContact CE2-CE 3.47Å; Y292-K294 HydrophobicContact CE2-CG 3.81Å; Y292-K294 PolarHBondContact OH-NZ 3.25Å; Y292-T307 WeakPolarHBondContact CA-OG1 3.29Å; Y292-A308 WeakPolarHBondContact CB-O 3.23Å; Y292-V309 HydrophobicContact CD1-CG2 4.01Å; Y292-V309 HydrophobicContact CG-CG2 4.34Å | ||
| 293 | V | 94.1 | Very high | 75.5 | Confident | 29 Ų | 29 | 91.1 Ų | 91.1 | 18% | 0.176 | 43% | 0.425 | C | S | . | . | trans | -102.2 | 143.2 | 172.7 | 178 | 0 | 0 | 0 | 0 | 109.4 | V275 K306 T307 F318 | V275-V293 HydrophobicContact CG1-CB 4.11Å; V275-V293 HydrophobicContact CG1-CG1 4.42Å; V275-V293 HydrophobicContact CG1-CG2 3.81Å; V275-V293 HydrophobicContact CG2-CB 4.48Å; V275-V293 HydrophobicContact CG2-CG1 4.22Å; V293-K306 CarbonylContact O-C 3.53Å; V293-K306 WeakPolarHBondContact O-CA 3.39Å; V293-T307 HydrophobicContact CB-CG2 4Å; V293-T307 PolarHBondContact N-OG1 3.41Å; V293-T307 PolarHBondContact O-N 3.19Å; V293-F318 HydrophobicContact CG2-CD2 4.45Å; V293-F318 HydrophobicContact CG2-CE2 3.96Å; V293-F318 HydrophobicContact CG2-CZ 4.26Å | ||
| 294 | K | 91.1 | Very high | 75.5 | Confident | 69 Ų | 69 | 94.1 Ų | 94.1 | 30% | 0.3 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 138 | 165.1 | -78.5 | 158.5 | 177.5 | 156.4 | 0 | 108.2 | Y292 Y296 R305 K306 | Y292-K294 HydrophobicContact CD2-CG 4.21Å; Y292-K294 HydrophobicContact CE2-CD 3.76Å; Y292-K294 VanDerWaalsContact CE2-CE 3.47Å; Y292-K294 HydrophobicContact CE2-CG 3.81Å; Y292-K294 PolarHBondContact OH-NZ 3.25Å; K294-Y296 HydrophobicContact CB-CE2 3.81Å; K294-Y296 HydrophobicContact CD-CE2 4.46Å; K294-R305 CarbonylContact C-O 3.58Å; K294-R305 VanDerWaalsContact CA-O 3.29Å; K294-R305 WeakPolarHBondContact CA-O 3.34Å; K294-K306 HydrophobicContact CG-CB 4.14Å |
| 295 | S | 87.1 | Confident | 76.2 | Confident | 24 Ų | 24 | 96 Ų | 96 | 17% | 0.168 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 147.9 | 170.4 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | K304 R305 | S295-K304 WeakPolarHBondContact O-CA 3.38Å; S295-R305 PolarHBondContact N-O 2.8Å; S295-R305 PolarHBondContact O-N 2.75Å |
| 296 | Y | 82.3 | Confident | 77.5 | Confident | 74 Ų | 74 | 94.9 Ų | 94.9 | 29% | 0.29 | 43% | 0.427 | S | S | . | . | trans | -142.8 | 133.1 | 176.5 | -57.7 | -98.2 | 0 | 0 | 0 | 107.9 | K294 K304 | K294-Y296 HydrophobicContact CB-CE2 3.81Å; K294-Y296 HydrophobicContact CD-CE2 4.46Å; Y296-K304 HydrophobicContact CD1-CB 3.89Å; Y296-K304 HydrophobicContact CD1-CG 4.11Å; Y296-K304 HydrophobicContact CE1-CB 3.79Å; Y296-K304 HydrophobicContact CE1-CD 3.81Å; Y296-K304 HydrophobicContact CE1-CG 3.57Å | ||
| 297 | L | 76.5 | Confident | 78.8 | Confident | 60 Ų | 60 | 83.6 Ų | 83.6 | 31% | 0.314 | 39% | 0.385 | S | S | . | . | trans | -97.3 | 106.9 | 167.7 | 179 | 64.6 | 0 | 0 | 0 | 107.8 | L271 D300 S303 V324 | L271-L297 HydrophobicContact CD2-CD1 4.38Å; L297-D300 CarbonylContact O-C 3.51Å; L297-D300 PolarHBondContact O-N 2.81Å; L297-D300 VanDerWaalsContact O-N 3.09Å; L297-S303 PolarHBondContact N-OG 2.92Å; L297-S303 PolarHBondContact O-OG 2.93Å; L297-V324 HydrophobicContact CB-CG1 3.95Å; L297-V324 HydrophobicContact CD2-CG1 3.82Å | ||
| 298 | L | 66.2 | Low | 80.3 | Confident | 99 Ų | 99 | 75.1 Ų | 75.1 | 52% | 0.518 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 143.6 | 177.6 | -60.9 | -179.6 | 0 | 0 | 0 | 109.8 | ||
| 299 | P | 59.2 | Low | 81.5 | Confident | 123 Ų | 123 | 72 Ų | 72 | 80% | 0.799 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -83.6 | -6.5 | 12.2 | 33.4 | -37.1 | 0 | 0 | 0 | 116.1 | K301 | P299-K301 PolarHBondContact O-N 3.38Š|
| 300 | D | 59 | Low | 81.9 | Confident | 53 Ų | 53 | 74.2 Ų | 74.2 | 28% | 0.283 | 37% | 0.369 | S | S | . | . | trans | -68.2 | 118.1 | -175.7 | 177.3 | 29.4 | 0 | 0 | 0 | 113 | L297 Q302 S303 | L297-D300 CarbonylContact O-C 3.51Å; L297-D300 PolarHBondContact O-N 2.81Å; L297-D300 VanDerWaalsContact O-N 3.09Å; D300-Q302 VanDerWaalsContact C-N 3.32Å; D300-Q302 WeakPolarHBondContact OD1-CB 3.35Å; D300-Q302 PolarHBondContact OD1-N 3.4Å; D300-S303 PolarHBondContact O-OG 3.23Å; D300-S303 WeakPolarHBondContact OD2-CA 3.27Å; D300-S303 WeakPolarHBondContact OD2-CB 3.39Å; D300-S303 PolarHBondContact OD2-N 3.29Å | ||
| 301 | K | 58.5 | Low | 81.9 | Confident | 137 Ų | 137 | 78.4 Ų | 78.4 | 60% | 0.596 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -78.5 | -14.8 | 179.1 | -59.5 | 175.5 | -172.9 | 172 | 0 | 112.9 | P299 | P299-K301 PolarHBondContact O-N 3.38Š|
| 302 | Q | 61.1 | Low | 81.8 | Confident | 156 Ų | 156 | 85.7 Ų | 85.7 | 73% | 0.729 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -96 | -13.9 | -179.5 | -53.6 | -59.3 | -13.3 | 0 | 0 | 113.7 | D300 K304 R305 | D300-Q302 VanDerWaalsContact C-N 3.32Å; D300-Q302 WeakPolarHBondContact OD1-CB 3.35Å; D300-Q302 PolarHBondContact OD1-N 3.4Å; Q302-K304 PolarHBondContact O-N 3.49Å; Q302-R305 PolarHBondContact O-NH1 3.3Å |
| 303 | S | 68.7 | Low | 81.5 | Confident | 4 Ų | 4 | 83.5 Ų | 83.5 | 3% | 0.028 | 40% | 0.404 | C | S | . | . | trans | -54.4 | -13.5 | 174.5 | 64.9 | 0 | 0 | 0 | 0 | 115 | L297 D300 R305 | L297-S303 PolarHBondContact N-OG 2.92Å; L297-S303 PolarHBondContact O-OG 2.93Å; D300-S303 PolarHBondContact O-OG 3.23Å; D300-S303 WeakPolarHBondContact OD2-CA 3.27Å; D300-S303 WeakPolarHBondContact OD2-CB 3.39Å; D300-S303 PolarHBondContact OD2-N 3.29Å; S303-R305 PolarHBondContact O-N 3.44Å; S303-R305 PolarHBondContact O-NH1 3.03Å | ||
| 304 | K | 82.9 | Confident | 81.4 | Confident | 107 Ų | 107 | 85 Ų | 85 | 47% | 0.465 | 41% | 0.411 | S | S | . | . | trans | -43.1 | 119.4 | -177.1 | -173.4 | -180 | -173.1 | 178.6 | 0 | 113 | S295 Y296 Q302 | S295-K304 WeakPolarHBondContact O-CA 3.38Å; Y296-K304 HydrophobicContact CD1-CB 3.89Å; Y296-K304 HydrophobicContact CD1-CG 4.11Å; Y296-K304 HydrophobicContact CE1-CB 3.79Å; Y296-K304 HydrophobicContact CE1-CD 3.81Å; Y296-K304 HydrophobicContact CE1-CG 3.57Å; Q302-K304 PolarHBondContact O-N 3.49Å | ||
| 305 | R | 87.3 | Confident | 81.5 | Confident | 85 Ų | 85 | 86 Ų | 86 | 32% | 0.321 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 160.3 | 167.2 | -58.1 | -60.1 | 173.9 | -102.5 | 4.4 | 109.8 | K294 S295 Q302 S303 L322 R323 V324 | K294-R305 CarbonylContact C-O 3.58Å; K294-R305 VanDerWaalsContact CA-O 3.29Å; K294-R305 WeakPolarHBondContact CA-O 3.34Å; S295-R305 PolarHBondContact N-O 2.8Å; S295-R305 PolarHBondContact O-N 2.75Å; Q302-R305 PolarHBondContact O-NH1 3.3Å; S303-R305 PolarHBondContact O-N 3.44Å; S303-R305 PolarHBondContact O-NH1 3.03Å; R305-L322 HydrophobicContact CB-CB 3.87Å; R305-L322 HydrophobicContact CB-CD1 4.08Å; R305-L322 HydrophobicContact CB-CD2 4.3Å; R305-L322 HydrophobicContact CB-CG 4.31Å; R305-L322 HydrophobicContact CG-CB 4.45Å; R305-R323 PolarHBondContact NE-O 3.34Å; R305-V324 HydrophobicContact CG-CG2 4.47Å |
| 306 | K | 92.3 | Very high | 81.9 | Confident | 148 Ų | 148 | 84.8 Ų | 84.8 | 64% | 0.643 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 151.7 | 175.4 | 66.2 | 170.7 | -174.1 | 174.2 | 0 | 111.6 | V293 K294 L322 | V293-K306 CarbonylContact O-C 3.53Å; V293-K306 WeakPolarHBondContact O-CA 3.39Å; K294-K306 HydrophobicContact CG-CB 4.14Å; K306-L322 VanDerWaalsContact C-CD2 3.5Å; K306-L322 VanDerWaalsContact O-CD2 3.29Å; K306-L322 WeakPolarHBondContact O-CD2 3.38Å |
| 307 | T | 94.8 | Very high | 82.6 | Confident | 5 Ų | 5 | 84.6 Ų | 84.6 | 3% | 0.031 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 171.6 | 167.5 | 65 | 0 | 0 | 0 | 0 | 111.3 | V275 Y292 V293 F318 E320 L322 | V275-T307 HydrophobicContact CB-CG2 4.03Å; V275-T307 HydrophobicContact CG1-CG2 4.1Å; V275-T307 HydrophobicContact CG2-CG2 4.09Å; Y292-T307 WeakPolarHBondContact CA-OG1 3.29Å; V293-T307 HydrophobicContact CB-CG2 4Å; V293-T307 PolarHBondContact N-OG1 3.41Å; V293-T307 PolarHBondContact O-N 3.19Å; T307-F318 HydrophobicContact CG2-CB 4.36Å; T307-F318 HydrophobicContact CG2-CD1 3.85Å; T307-F318 HydrophobicContact CG2-CE1 4.4Å; T307-F318 HydrophobicContact CG2-CG 4.12Å; T307-F318 WeakPolarHBondContact OG1-CD1 3.26Å; T307-F318 VanDerWaalsContact OG1-CE1 3.24Å; T307-F318 WeakPolarHBondContact OG1-CE1 3.26Å; T307-E320 WeakPolarHBondContact CA-OE2 3.22Å; T307-E320 WeakPolarHBondContact CB-OE2 3.3Å; T307-E320 HydrophobicContact CG2-CB 4.2Å; T307-L322 HydrophobicContact CG2-CD1 4.32Å; T307-L322 HydrophobicContact CG2-CD2 4.28Å |
| 308 | A | 94.7 | Very high | 83.5 | Confident | 53 Ų | 53 | 82.1 Ų | 82.1 | 44% | 0.438 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 162 | 157.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y292 F318 E320 | Y292-A308 WeakPolarHBondContact CB-O 3.23Å; A308-F318 WeakPolarHBondContact O-CE1 3.29Å; A308-E320 PolarHBondContact N-OE2 2.92Å |
| 309 | V | 94.5 | Very high | 84.9 | Confident | 76 Ų | 76 | 82.1 Ų | 82.1 | 46% | 0.461 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -93.6 | 119.7 | 177 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | D290 Y292 | D290-V309 HydrophobicContact CB-CG1 3.91Å; D290-V309 WeakPolarHBondContact O-CG1 3.07Å; Y292-V309 HydrophobicContact CD1-CG2 4.01Å; Y292-V309 HydrophobicContact CG-CG2 4.34Å |
| 310 | K | 92.8 | Very high | 86.6 | Confident | 60 Ų | 60 | 78.4 Ų | 78.4 | 26% | 0.261 | 38% | 0.376 | S | S | . | . | trans | -95.9 | 111.5 | 177.3 | -51.6 | -75.8 | 170.1 | 155.3 | 0 | 107.8 | D290 P291 P316 V317 F318 E320 | D290-K310 CarbonylContact C-O 3.55Å; D290-K310 WeakPolarHBondContact CA-O 3.31Å; P291-K310 WeakPolarHBondContact CD-O 3.44Å; P291-K310 PolarHBondContact O-N 3.05Å; K310-P316 HydrophobicContact CB-CB 3.89Å; K310-P316 HydrophobicContact CG-CB 3.97Å; K310-V317 VanDerWaalsContact CE-O 3.28Å; K310-V317 WeakPolarHBondContact CE-O 3.35Å; K310-V317 PolarHBondContact NZ-O 3.23Å; K310-F318 HydrophobicContact CB-CE1 4.47Å; K310-F318 HydrophobicContact CD-CD1 4.31Å; K310-F318 HydrophobicContact CD-CE1 4.44Å; K310-F318 VanDerWaalsContact CE-CD1 3.43Å; K310-F318 HydrophobicContact CG-CD1 3.79Å; K310-F318 HydrophobicContact CG-CE1 3.47Å; K310-F318 VanDerWaalsContact CG-CE1 3.47Å; K310-F318 HydrophobicContact CG-CZ 4.13Å; K310-F318 PolarHBondContact NZ-O 2.94Å; K310-E320 WeakPolarHBondContact CE-OE1 3.24Å; K310-E320 IonicContact NZ-OE1 2.93Å; K310-E320 PolarHBondContact NZ-OE1 3.08Å | ||
| 311 | K | 91.1 | Very high | 88.3 | Confident | 159 Ų | 159 | 79.1 Ų | 79.1 | 69% | 0.691 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 143.1 | -171.6 | -62.9 | -176.9 | 178 | 173.9 | 0 | 112.7 | D290 N313 | D290-K311 WeakPolarHBondContact OD1-CA 3.48Å; K311-N313 VanDerWaalsContact C-N 3.26Å; K311-N313 PolarHBondContact O-N 3.18Å |
| 312 | R | 89.1 | Confident | 89.8 | Confident | 174 Ų | 174 | 73.3 Ų | 73.3 | 66% | 0.657 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 35.7 | 170.8 | -58.3 | 174.4 | 179.3 | 177.6 | 0.7 | 114.5 | S289 D290 | S289-R312 CarbonylContact O-C 3.57Å; S289-R312 WeakPolarHBondContact O-CA 3.39Å; S289-R312 PolarHBondContact O-N 2.9Å; D290-R312 PolarHBondContact OD1-N 2.94Å |
| 313 | N | 89.5 | Confident | 91.1 | Very high | 58 Ų | 58 | 72.9 Ų | 72.9 | 31% | 0.31 | 35% | 0.35 | S | S | . | . | trans | -126.6 | 131.3 | -174 | -165.9 | -8.6 | 0 | 0 | 0 | 111.3 | S289 P291 K311 N315 P316 | S289-N313 PolarHBondContact O-N 2.82Å; S289-N313 VanDerWaalsContact O-N 3.08Å; P291-N313 VanDerWaalsContact CD-O 3.23Å; P291-N313 WeakPolarHBondContact CD-O 3Å; P291-N313 WeakPolarHBondContact CG-O 3.17Å; K311-N313 VanDerWaalsContact C-N 3.26Å; K311-N313 PolarHBondContact O-N 3.18Å; N313-N315 PolarHBondContact ND2-O 2.97Å; N313-N315 WeakPolarHBondContact OD1-CA 3.25Å; N313-N315 PolarHBondContact OD1-N 3.48Å; N313-N315 PolarHBondContact OD1-O 3.12Å; N313-P316 WeakPolarHBondContact ND2-CA 3.34Å | ||
| 314 | L | 91.4 | Very high | 91.5 | Very high | 61 Ų | 61 | 72.9 Ų | 72.9 | 32% | 0.319 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -98.9 | -9.8 | 174.8 | -54.9 | -176.9 | 0 | 0 | 0 | 112.9 | G280 L281 A283 S289 | G280-L314 PolarHBondContact N-O 3.29Å; L281-L314 HydrophobicContact CB-CB 4.46Å; L281-L314 WeakPolarHBondContact CB-O 3.19Å; L281-L314 WeakPolarHBondContact CG-O 3.29Å; L281-L314 PolarHBondContact N-O 3.1Å; A283-L314 HydrophobicContact CB-CD1 4.19Å; A283-L314 HydrophobicContact CB-CD2 4.39Å; S289-L314 WeakPolarHBondContact OG-CD2 3.48Å |
| 315 | N | 93.2 | Very high | 90.5 | Very high | 89 Ų | 89 | 70.6 Ų | 70.6 | 48% | 0.476 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -126.9 | 61.7 | 173.4 | -51 | -65.4 | 0 | 0 | 0 | 109.9 | C278 Q279 G280 N313 V317 | C278-N315 CarbonylContact O-C 3.47Å; C278-N315 WeakPolarHBondContact O-CA 3.1Å; Q279-N315 WeakPolarHBondContact CA-OD1 3.18Å; G280-N315 PolarHBondContact N-OD1 3.48Å; N313-N315 PolarHBondContact ND2-O 2.97Å; N313-N315 WeakPolarHBondContact OD1-CA 3.25Å; N313-N315 PolarHBondContact OD1-N 3.48Å; N313-N315 PolarHBondContact OD1-O 3.12Å; N315-V317 PolarHBondContact O-N 3.31Å |
| 316 | P | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | -68.6 | 124.9 | -177.3 | 30.4 | -38.3 | 0 | 0 | 0 | 111.9 | Q277 C278 L281 P291 K310 N313 F318 | Q277-P316 CarbonylContact C-O 3.38Å; Q277-P316 WeakPolarHBondContact CA-O 3.27Å; Q277-P316 WeakPolarHBondContact CB-O 3.35Å; C278-P316 HydrophobicContact CB-CG 3.77Å; C278-P316 PolarHBondContact N-O 3.19Å; L281-P316 HydrophobicContact CD1-CG 3.76Å; P291-P316 HydrophobicContact CB-CG 4.21Å; P291-P316 HydrophobicContact CG-CB 3.94Å; P291-P316 HydrophobicContact CG-CG 3.64Å; K310-P316 HydrophobicContact CB-CB 3.89Å; K310-P316 HydrophobicContact CG-CB 3.97Å; N313-P316 WeakPolarHBondContact ND2-CA 3.34Å; P316-F318 HydrophobicContact CB-CD2 4.37Å; P316-F318 HydrophobicContact CB-CE1 4.44Å; P316-F318 HydrophobicContact CB-CE2 3.68Å; P316-F318 HydrophobicContact CB-CZ 3.72Å; P316-F318 HydrophobicContact CG-CD2 4.48Å; P316-F318 HydrophobicContact CG-CE2 3.53Å; P316-F318 HydrophobicContact CG-CZ 3.79Å | ||
| 317 | V | 96.5 | Very high | 87.8 | Confident | 69 Ų | 69 | 62 Ų | 62 | 42% | 0.418 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 122.8 | 162 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | Q277 K310 N315 | Q277-V317 HydrophobicContact CB-CG2 4.17Å; K310-V317 VanDerWaalsContact CE-O 3.28Å; K310-V317 WeakPolarHBondContact CE-O 3.35Å; K310-V317 PolarHBondContact NZ-O 3.23Å; N315-V317 PolarHBondContact O-N 3.31Å |
| 318 | F | 96.6 | Very high | 86 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 4% | 0.039 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -62.1 | 176.2 | -64.9 | -80.3 | 0 | 0 | 0 | 110 | V275 I276 V293 T307 A308 K310 P316 E320 | V275-F318 HydrophobicContact CB-CB 4.36Å; V275-F318 HydrophobicContact CG1-CB 4Å; V275-F318 HydrophobicContact CG1-CD2 3.74Å; V275-F318 HydrophobicContact CG1-CG 4.02Å; V275-F318 WeakPolarHBondContact O-CB 3.42Å; I276-F318 PolarHBondContact O-N 2.77Å; V293-F318 HydrophobicContact CG2-CD2 4.45Å; V293-F318 HydrophobicContact CG2-CE2 3.96Å; V293-F318 HydrophobicContact CG2-CZ 4.26Å; T307-F318 HydrophobicContact CG2-CB 4.36Å; T307-F318 HydrophobicContact CG2-CD1 3.85Å; T307-F318 HydrophobicContact CG2-CE1 4.4Å; T307-F318 HydrophobicContact CG2-CG 4.12Å; T307-F318 WeakPolarHBondContact OG1-CD1 3.26Å; T307-F318 VanDerWaalsContact OG1-CE1 3.24Å; T307-F318 WeakPolarHBondContact OG1-CE1 3.26Å; A308-F318 WeakPolarHBondContact O-CE1 3.29Å; K310-F318 HydrophobicContact CB-CE1 4.47Å; K310-F318 HydrophobicContact CD-CD1 4.31Å; K310-F318 HydrophobicContact CD-CE1 4.44Å; K310-F318 VanDerWaalsContact CE-CD1 3.43Å; K310-F318 HydrophobicContact CG-CD1 3.79Å; K310-F318 HydrophobicContact CG-CE1 3.47Å; K310-F318 VanDerWaalsContact CG-CE1 3.47Å; K310-F318 HydrophobicContact CG-CZ 4.13Å; K310-F318 PolarHBondContact NZ-O 2.94Å; P316-F318 HydrophobicContact CB-CD2 4.37Å; P316-F318 HydrophobicContact CB-CE1 4.44Å; P316-F318 HydrophobicContact CB-CE2 3.68Å; P316-F318 HydrophobicContact CB-CZ 3.72Å; P316-F318 HydrophobicContact CG-CD2 4.48Å; P316-F318 HydrophobicContact CG-CE2 3.53Å; P316-F318 HydrophobicContact CG-CZ 3.79Å; F318-E320 VanDerWaalsContact C-N 3.29Å; F318-E320 HydrophobicContact CB-CB 4.29Å; F318-E320 HydrophobicContact CB-CG 4.34Å |
| 319 | N | 95.5 | Very high | 84.1 | Confident | 99 Ų | 99 | 65.6 Ų | 65.6 | 53% | 0.529 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.6 | 48.8 | -166.8 | -64.5 | -8.6 | 0 | 0 | 0 | 111.6 | V275 I276 | V275-N319 WeakPolarHBondContact O-CA 2.98Å; V275-N319 PolarHBondContact O-N 2.82Å; I276-N319 PolarHBondContact O-N 3.46Å; I276-N319 PolarHBondContact O-OD1 2.99Å |
| 320 | E | 95.6 | Very high | 82.6 | Confident | 44 Ų | 44 | 67.3 Ų | 67.3 | 21% | 0.206 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 120.9 | -173.3 | -74 | 168.7 | -125.7 | 0 | 0 | 110.5 | V275 T307 A308 K310 F318 L322 | V275-E320 PolarHBondContact N-O 3.11Å; V275-E320 PolarHBondContact O-N 3.43Å; T307-E320 WeakPolarHBondContact CA-OE2 3.22Å; T307-E320 WeakPolarHBondContact CB-OE2 3.3Å; T307-E320 HydrophobicContact CG2-CB 4.2Å; A308-E320 PolarHBondContact N-OE2 2.92Å; K310-E320 WeakPolarHBondContact CE-OE1 3.24Å; K310-E320 IonicContact NZ-OE1 2.93Å; K310-E320 PolarHBondContact NZ-OE1 3.08Å; F318-E320 VanDerWaalsContact C-N 3.29Å; F318-E320 HydrophobicContact CB-CB 4.29Å; F318-E320 HydrophobicContact CB-CG 4.34Å; E320-L322 PolarHBondContact O-N 3.35Å |
| 321 | T | 93.8 | Very high | 81.5 | Confident | 69 Ų | 69 | 66 Ų | 66 | 42% | 0.423 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 105.4 | 178.4 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | R272 R323 | R272-T321 HydrophobicContact CB-CG2 3.79Å; R272-T321 HydrophobicContact CG-CG2 4.11Å; T321-R323 HydrophobicContact CG2-CG 4.49Å; T321-R323 PolarHBondContact O-N 2.82Å |
| 322 | L | 90.9 | Very high | 80.8 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 7% | 0.073 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 106.4 | 172.5 | -55.1 | -174.5 | 0 | 0 | 0 | 108.9 | V273 V275 R305 K306 T307 E320 V324 | V273-L322 HydrophobicContact CB-CB 4.34Å; V273-L322 PolarHBondContact N-O 2.68Å; V273-L322 PolarHBondContact O-N 2.88Å; V275-L322 HydrophobicContact CG2-CD1 3.97Å; V275-L322 HydrophobicContact CG2-CG 4.16Å; R305-L322 HydrophobicContact CB-CB 3.87Å; R305-L322 HydrophobicContact CB-CD1 4.08Å; R305-L322 HydrophobicContact CB-CD2 4.3Å; R305-L322 HydrophobicContact CB-CG 4.31Å; R305-L322 HydrophobicContact CG-CB 4.45Å; K306-L322 VanDerWaalsContact C-CD2 3.5Å; K306-L322 VanDerWaalsContact O-CD2 3.29Å; K306-L322 WeakPolarHBondContact O-CD2 3.38Å; T307-L322 HydrophobicContact CG2-CD1 4.32Å; T307-L322 HydrophobicContact CG2-CD2 4.28Å; E320-L322 PolarHBondContact O-N 3.35Å; L322-V324 PolarHBondContact O-N 2.66Å |
| 323 | R | 86.7 | Confident | 80.6 | Confident | 148 Ų | 148 | 56 Ų | 56 | 56% | 0.558 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 116.2 | 175.9 | -64.1 | -178.7 | -170.7 | -164.3 | 3.5 | 110.5 | E270 R305 T321 | E270-R323 WeakPolarHBondContact OE1-CB 3.24Å; E270-R323 VanDerWaalsContact OE1-CD 3.3Å; E270-R323 WeakPolarHBondContact OE1-CD 3.5Å; R305-R323 PolarHBondContact NE-O 3.34Å; T321-R323 HydrophobicContact CG2-CG 4.49Å; T321-R323 PolarHBondContact O-N 2.82Å |
| 324 | V | 77.1 | Confident | 80.4 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 108.4 | 166.4 | -173.9 | 0 | 0 | 0 | 0 | 105.7 | L271 V273 L297 R305 L322 | L271-V324 HydrophobicContact CB-CB 4.29Å; L271-V324 PolarHBondContact N-O 3.23Å; L271-V324 WeakPolarHBondContact O-CB 3.43Å; L271-V324 PolarHBondContact O-N 3.27Å; V273-V324 HydrophobicContact CG2-CG2 4.41Å; L297-V324 HydrophobicContact CB-CG1 3.95Å; L297-V324 HydrophobicContact CD2-CG1 3.82Å; R305-V324 HydrophobicContact CG-CG2 4.47Å; L322-V324 PolarHBondContact O-N 2.66Å |
| 325 | P | 63.2 | Low | 80.4 | Confident | 59 Ų | 59 | 51 Ų | 51 | 38% | 0.383 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 162 | 170.9 | 30.4 | -35.4 | 0 | 0 | 0 | 108.9 | S327 | P325-S327 PolarHBondContact O-N 2.8Š|
| 326 | P | 62.3 | Low | 80.5 | Confident | 33 Ų | 33 | 49.4 Ų | 49.4 | 21% | 0.214 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -49.6 | 142.2 | 170 | 23 | -34.1 | 0 | 0 | 0 | 109.8 | A269 L331 | A269-P326 HydrophobicContact CB-CB 3.89Å; A269-P326 HydrophobicContact CB-CG 3.99Å; A269-P326 WeakPolarHBondContact O-CB 3.41Å; A269-P326 WeakPolarHBondContact O-CD 3.47Å; P326-L331 HydrophobicContact CB-CD2 3.91Å; P326-L331 HydrophobicContact CB-CG 4.26Å; P326-L331 HydrophobicContact CG-CD2 3.52Å; P326-L331 HydrophobicContact CG-CG 4.21Å |
| 327 | S | 60 | Low | 80.6 | Confident | 20 Ų | 20 | 49.4 Ų | 49.4 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 138.2 | 161.3 | -176.4 | 0 | 0 | 0 | 0 | 106.6 | P325 D329 D330 L331 | P325-S327 PolarHBondContact O-N 2.8Å; S327-D329 PolarHBondContact O-N 3.47Å; S327-D329 VanDerWaalsContact O-N 3.08Å; S327-D329 PolarHBondContact OG-N 3.45Å; S327-D330 WeakPolarHBondContact CB-OD2 3.39Å; S327-D330 PolarHBondContact O-N 3.26Å; S327-L331 PolarHBondContact O-N 3Å |
| 328 | P | 57 | Low | 80.7 | Confident | 43 Ų | 43 | 46.7 Ų | 46.7 | 28% | 0.279 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -50.7 | -38 | 171.9 | -26 | 34.6 | 0 | 0 | 0 | 110.4 | D330 L331 R334 L372 | P328-D330 VanDerWaalsContact C-N 3.26Å; P328-D330 PolarHBondContact O-N 3.24Å; P328-L331 WeakPolarHBondContact O-CB 3.35Å; P328-L331 PolarHBondContact O-N 3.48Å; P328-R334 PolarHBondContact O-NE 2.95Å; P328-R334 PolarHBondContact O-NH2 3.06Å; P328-L372 HydrophobicContact CB-CD2 4.41Å |
| 329 | D | 55.2 | Low | 80.8 | Confident | 89 Ų | 89 | 46.3 Ų | 46.3 | 48% | 0.476 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -72.2 | -15.4 | -177.2 | -54.6 | -20.7 | 0 | 0 | 0 | 113.2 | S327 R334 L372 | S327-D329 PolarHBondContact O-N 3.47Å; S327-D329 VanDerWaalsContact O-N 3.08Å; S327-D329 PolarHBondContact OG-N 3.45Å; D329-R334 VanDerWaalsContact CA-NH2 3.34Å; D329-R334 IonicContact OD1-CZ 3.53Å; D329-R334 IonicContact OD1-NH2 3.57Å; D329-R334 PolarHBondContact OD1-NH2 3.33Å; D329-L372 VanDerWaalsContact OD1-CD2 3.25Å; D329-L372 WeakPolarHBondContact OD1-CD2 3.33Å |
| 330 | D | 62.3 | Low | 81 | Confident | 113 Ų | 113 | 41.6 Ų | 41.6 | 60% | 0.604 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -95.9 | -8.7 | 174.9 | -59.2 | -32.6 | 0 | 0 | 0 | 113.4 | S327 P328 | S327-D330 WeakPolarHBondContact CB-OD2 3.39Å; S327-D330 PolarHBondContact O-N 3.26Å; P328-D330 VanDerWaalsContact C-N 3.26Å; P328-D330 PolarHBondContact O-N 3.24Å |
| 331 | L | 69 | Low | 81.1 | Confident | 32 Ų | 32 | 39.5 Ų | 39.5 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | trans | -65.1 | 128.1 | 175.5 | -72.3 | 169.6 | 0 | 0 | 0 | 109.8 | P326 S327 P328 S333 R334 L370 T491 | P326-L331 HydrophobicContact CB-CD2 3.91Å; P326-L331 HydrophobicContact CB-CG 4.26Å; P326-L331 HydrophobicContact CG-CD2 3.52Å; P326-L331 HydrophobicContact CG-CG 4.21Å; S327-L331 PolarHBondContact O-N 3Å; P328-L331 WeakPolarHBondContact O-CB 3.35Å; P328-L331 PolarHBondContact O-N 3.48Å; L331-S333 PolarHBondContact O-N 3.39Å; L331-R334 HydrophobicContact CB-CG 4.27Å; L331-R334 HydrophobicContact CD1-CG 4.26Å; L331-L370 HydrophobicContact CD1-CB 4.44Å; L331-L370 HydrophobicContact CD1-CD1 3.8Å; L331-T491 WeakPolarHBondContact O-CB 3.48Å; L331-T491 WeakPolarHBondContact O-CG2 3.38Å; L331-T491 PolarHBondContact O-OG1 3.06Å | ||
| 332 | P | 76.5 | Confident | 81.3 | Confident | 90 Ų | 90 | 37.4 Ų | 37.4 | 58% | 0.584 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -66.5 | -25.7 | -176.5 | 26.1 | -34.8 | 0 | 0 | 0 | 113.4 | R490 T491 | P332-R490 WeakPolarHBondContact O-CA 3.1Å; P332-T491 PolarHBondContact O-N 2.86Å |
| 333 | S | 85.4 | Confident | 81.6 | Confident | 32 Ų | 32 | 37.2 Ų | 37.2 | 22% | 0.224 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 156 | 174.3 | -179 | 0 | 0 | 0 | 0 | 110.4 | L331 G335 P488 L489 | L331-S333 PolarHBondContact O-N 3.39Å; S333-G335 PolarHBondContact OG-O 3.21Å; S333-G335 VanDerWaalsContact OG-O 3.06Å; S333-P488 WeakPolarHBondContact OG-CB 3.48Å; S333-L489 WeakPolarHBondContact CA-O 3.35Å; S333-L489 PolarHBondContact OG-N 2.84Å; S333-L489 PolarHBondContact OG-O 2.64Å |
| 334 | R | 86.5 | Confident | 82.1 | Confident | 7 Ų | 7 | 30.1 Ų | 30.1 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 40.3 | -175.5 | -74.2 | 162.8 | 168.6 | -121.5 | 39.6 | 113.8 | P328 D329 L331 L369 L370 L372 L442 L489 T491 | P328-R334 PolarHBondContact O-NE 2.95Å; P328-R334 PolarHBondContact O-NH2 3.06Å; D329-R334 VanDerWaalsContact CA-NH2 3.34Å; D329-R334 IonicContact OD1-CZ 3.53Å; D329-R334 IonicContact OD1-NH2 3.57Å; D329-R334 PolarHBondContact OD1-NH2 3.33Å; L331-R334 HydrophobicContact CB-CG 4.27Å; L331-R334 HydrophobicContact CD1-CG 4.26Å; R334-L369 WeakPolarHBondContact O-CA 3.3Å; R334-L370 HydrophobicContact CB-CB 4.21Å; R334-L370 HydrophobicContact CG-CB 4.29Å; R334-L370 PolarHBondContact O-N 2.87Å; R334-L370 VanDerWaalsContact O-N 3.16Å; R334-L372 VanDerWaalsContact NH1-CG 3.34Å; R334-L442 WeakPolarHBondContact CD-O 3.48Å; R334-L489 PolarHBondContact N-O 2.71Å; R334-L489 VanDerWaalsContact N-O 3.13Å; R334-T491 HydrophobicContact CG-CG2 4.1Å |
| 335 | G | 90.8 | Very high | 83 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 9% | 0.093 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 116.2 | -173.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S333 R367 D368 L489 | S333-G335 PolarHBondContact OG-O 3.21Å; S333-G335 VanDerWaalsContact OG-O 3.06Å; G335-R367 CarbonylContact C-O 3.59Å; G335-R367 VanDerWaalsContact CA-O 3.26Å; G335-R367 WeakPolarHBondContact CA-O 3.38Å; G335-D368 VanDerWaalsContact CA-O 3.29Å; G335-D368 WeakPolarHBondContact CA-O 3.48Å; G335-L489 PolarHBondContact O-N 2.99Å |
| 336 | L | 94.5 | Very high | 84.5 | Confident | 55 Ų | 55 | 31.7 Ų | 31.7 | 29% | 0.288 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143.3 | -174.2 | -55.6 | 175.4 | 0 | 0 | 0 | 110.2 | A366 R367 L486 L487 | L336-A366 CarbonylContact O-C 3.36Å; L336-A366 WeakPolarHBondContact O-CA 3.38Å; L336-A366 WeakPolarHBondContact O-CB 3.19Å; L336-R367 PolarHBondContact N-O 2.73Å; L336-R367 PolarHBondContact O-N 3.32Å; L336-L486 HydrophobicContact CB-CD1 3.69Å; L336-L486 HydrophobicContact CB-CG 4.15Å; L336-L486 HydrophobicContact CD1-CD1 4.25Å; L336-L486 HydrophobicContact CD1-CD2 3.94Å; L336-L486 HydrophobicContact CD1-CG 4.04Å; L336-L487 CarbonylContact C-O 3.59Å; L336-L487 WeakPolarHBondContact CA-O 3.25Å |
| 337 | L | 98.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 123 | 171.3 | -173.3 | 67.6 | 0 | 0 | 0 | 108.9 | L339 V363 A366 V381 L429 T445 L486 L487 L489 | L337-L339 HydrophobicContact CB-CD2 4.39Å; L337-L339 HydrophobicContact CD2-CD2 3.95Å; L337-L339 HydrophobicContact CG-CD2 3.89Å; L337-V363 HydrophobicContact CD1-CG1 4.18Å; L337-A366 HydrophobicContact CD1-CB 4.22Å; L337-V381 HydrophobicContact CD1-CG2 3.96Å; L337-L429 HydrophobicContact CD2-CB 4.1Å; L337-L429 HydrophobicContact CD2-CD2 4.17Å; L337-T445 HydrophobicContact CD2-CG2 3.99Å; L337-L486 WeakPolarHBondContact O-CA 3.47Å; L337-L487 PolarHBondContact N-O 2.6Å; L337-L487 PolarHBondContact O-N 3.06Å; L337-L489 HydrophobicContact CB-CD1 4.48Å; L337-L489 HydrophobicContact CB-CD2 3.96Å; L337-L489 HydrophobicContact CB-CG 4.07Å; L337-L489 HydrophobicContact CD2-CD2 4.41Å |
| 338 | A | 98.4 | Very high | 87.4 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 127.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | K364 E365 G485 L486 | A338-K364 HydrophobicContact CB-CB 4.4Å; A338-K364 WeakPolarHBondContact O-CB 3.45Å; A338-K364 PolarHBondContact O-N 2.9Å; A338-E365 HydrophobicContact CB-CG 3.79Å; A338-E365 PolarHBondContact N-O 2.83Å; A338-E365 PolarHBondContact O-N 2.92Å; A338-G485 WeakPolarHBondContact CA-O 3.21Å; A338-L486 HydrophobicContact CB-CD1 3.84Å |
| 339 | L | 98.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 169.3 | -179.2 | 61.8 | 138 | 0 | 0 | 0 | 112.3 | L337 L341 W362 L429 L447 L471 G485 | L337-L339 HydrophobicContact CB-CD2 4.39Å; L337-L339 HydrophobicContact CD2-CD2 3.95Å; L337-L339 HydrophobicContact CG-CD2 3.89Å; L339-L341 HydrophobicContact CD1-CD2 3.58Å; L339-L341 HydrophobicContact CD1-CG 4.11Å; L339-W362 CarbonylContact C-O 3.51Å; L339-W362 WeakPolarHBondContact CA-O 3.31Å; L339-W362 WeakPolarHBondContact CB-O 3.36Å; L339-L429 HydrophobicContact CD1-CD2 4.34Å; L339-L447 HydrophobicContact CD1-CD1 4.06Å; L339-L471 HydrophobicContact CD1-CD2 4.26Å; L339-G485 PolarHBondContact N-O 3.37Å; L339-G485 PolarHBondContact O-N 3.29Å |
| 340 | S | 98.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 149 | 162.5 | -45.7 | 0 | 0 | 0 | 0 | 110.8 | W362 K364 W482 V483 D484 | S340-W362 PolarHBondContact N-O 2.98Å; S340-W362 PolarHBondContact O-N 2.79Å; S340-K364 WeakPolarHBondContact OG-CE 3.5Å; S340-K364 PolarHBondContact OG-NZ 3.5Å; S340-W482 VanDerWaalsContact CB-CE3 3.47Å; S340-V483 CarbonylContact C-O 3.48Å; S340-V483 VanDerWaalsContact CA-O 3.25Å; S340-V483 WeakPolarHBondContact CA-O 3.09Å; S340-D484 WeakPolarHBondContact CB-OD1 3.39Å; S340-D484 PolarHBondContact OG-OD1 3.18Å |
| 341 | L | 98.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.7 | 170 | -54.2 | -179.6 | 0 | 0 | 0 | 110.1 | L339 H360 F361 L447 L471 W472 L475 W482 V483 | L339-L341 HydrophobicContact CD1-CD2 3.58Å; L339-L341 HydrophobicContact CD1-CG 4.11Å; L341-H360 WeakPolarHBondContact CA-O 3.37Å; L341-F361 HydrophobicContact CD2-CD1 3.35Å; L341-F361 HydrophobicContact CD2-CE1 3.8Å; L341-F361 HydrophobicContact CD2-CG 4.27Å; L341-L447 HydrophobicContact CD1-CD1 3.89Å; L341-L447 HydrophobicContact CD2-CD1 3.81Å; L341-L447 HydrophobicContact CG-CD1 4.41Å; L341-L471 HydrophobicContact CD1-CD2 3.9Å; L341-L471 HydrophobicContact CD1-CG 3.73Å; L341-L471 HydrophobicContact CG-CD2 4.22Å; L341-L471 HydrophobicContact CG-CG 4.3Å; L341-W472 HydrophobicContact CD1-CE3 4.14Å; L341-L475 HydrophobicContact CB-CB 4.49Å; L341-L475 HydrophobicContact CB-CD1 3.84Å; L341-L475 HydrophobicContact CB-CD2 4.17Å; L341-L475 HydrophobicContact CB-CG 4.39Å; L341-L475 HydrophobicContact CD1-CB 4.47Å; L341-L475 HydrophobicContact CD1-CD2 3.93Å; L341-W482 WeakPolarHBondContact O-CA 3.39Å; L341-V483 PolarHBondContact N-O 2.9Å; L341-V483 PolarHBondContact O-N 2.85Å |
| 342 | K | 97.8 | Very high | 91.5 | Very high | 25 Ų | 25 | 35.7 Ų | 35.7 | 11% | 0.109 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 140.3 | 165 | 172.1 | 178.6 | 75.7 | 142.9 | 0 | 109 | V344 E349 H360 L475 C480 E481 W482 | K342-V344 HydrophobicContact CD-CG2 3.77Å; K342-V344 HydrophobicContact CG-CG2 3.93Å; K342-V344 VanDerWaalsContact NZ-CG2 3.26Å; K342-E349 IonicContact NZ-OE1 3.93Å; K342-H360 HydrophobicContact CB-CB 4.14Å; K342-H360 PolarHBondContact N-O 3.41Å; K342-H360 PolarHBondContact O-N 3.41Å; K342-L475 VanDerWaalsContact C-CD1 3.45Å; K342-C480 WeakPolarHBondContact CD-O 3.46Å; K342-E481 WeakPolarHBondContact CA-O 3.38Å; K342-E481 WeakPolarHBondContact CB-O 3.44Å; K342-E481 WeakPolarHBondContact CG-O 3.15Å; K342-W482 HydrophobicContact CB-CD2 3.74Å; K342-W482 HydrophobicContact CB-CE3 3.55Å; K342-W482 HydrophobicContact CB-CG 4.36Å; K342-W482 HydrophobicContact CB-CH2 4.24Å; K342-W482 HydrophobicContact CB-CZ2 4.36Å; K342-W482 HydrophobicContact CB-CZ3 3.82Å |
| 343 | Y | 97.6 | Very high | 92.1 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.6 | 166.8 | 173.7 | -117.7 | 0 | 0 | 0 | 109.6 | P345 E358 F417 P419 L422 L475 C480 | Y343-P345 HydrophobicContact CD1-CG 4.14Å; Y343-P345 HydrophobicContact CE1-CB 4.23Å; Y343-P345 HydrophobicContact CE1-CG 3.82Å; Y343-E358 CarbonylContact C-O 3.52Å; Y343-E358 WeakPolarHBondContact CA-O 3.39Å; Y343-E358 VanDerWaalsContact CD2-O 3.23Å; Y343-E358 WeakPolarHBondContact CD2-O 3.25Å; Y343-F417 HydrophobicContact CE2-CB 4.34Å; Y343-F417 WeakPolarHBondContact CE2-O 3.41Å; Y343-F417 PolarHBondContact OH-O 3.47Å; Y343-P419 HydrophobicContact CE1-CG 4.19Å; Y343-P419 WeakPolarHBondContact OH-CD 3.45Å; Y343-L422 HydrophobicContact CD1-CD1 3.64Å; Y343-L422 HydrophobicContact CD2-CD1 3.59Å; Y343-L422 HydrophobicContact CE1-CD1 3.82Å; Y343-L422 HydrophobicContact CE2-CD1 3.76Å; Y343-L422 HydrophobicContact CE2-CG 4.48Å; Y343-L422 HydrophobicContact CG-CD1 3.51Å; Y343-L475 VanDerWaalsContact N-CD1 3.28Å; Y343-C480 PolarHBondContact O-N 3.13Å |
| 344 | V | 96.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 106.4 | 178.9 | -172.3 | 0 | 0 | 0 | 0 | 108 | K342 S348 E349 P354 G357 E358 | K342-V344 HydrophobicContact CD-CG2 3.77Å; K342-V344 HydrophobicContact CG-CG2 3.93Å; K342-V344 VanDerWaalsContact NZ-CG2 3.26Å; V344-S348 VanDerWaalsContact CG1-OG 3.26Å; V344-S348 WeakPolarHBondContact CG1-OG 3.45Å; V344-E349 HydrophobicContact CG1-CG 3.9Å; V344-P354 HydrophobicContact CB-CG 4.24Å; V344-P354 HydrophobicContact CG1-CG 3.67Å; V344-G357 CarbonylContact O-C 3.59Å; V344-G357 VanDerWaalsContact O-CA 3.28Å; V344-G357 WeakPolarHBondContact O-CA 3.46Å; V344-E358 HydrophobicContact CB-CB 4.39Å; V344-E358 PolarHBondContact N-O 3.45Å; V344-E358 PolarHBondContact O-N 3.2Å |
| 345 | P | 95.9 | Very high | 92.6 | Very high | 35 Ų | 35 | 39.9 Ų | 39.9 | 23% | 0.227 | 28% | 0.275 | C | S | . | . | trans | -62.1 | 151.6 | 177.5 | -21.5 | 32.8 | 0 | 0 | 0 | 112.2 | Y343 G347 S348 P479 | Y343-P345 HydrophobicContact CD1-CG 4.14Å; Y343-P345 HydrophobicContact CE1-CB 4.23Å; Y343-P345 HydrophobicContact CE1-CG 3.82Å; P345-G347 PolarHBondContact O-N 3.26Å; P345-S348 VanDerWaalsContact O-CB 3.27Å; P345-S348 WeakPolarHBondContact O-CB 3.39Å; P345-S348 PolarHBondContact O-N 2.94Å; P345-S348 PolarHBondContact O-OG 3.12Å; P345-P479 HydrophobicContact CG-CB 4.06Å | ||
| 346 | A | 94.8 | Very high | 92.8 | Very high | 61 Ų | 61 | 41 Ų | 41 | 50% | 0.504 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 131.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S348 P354 | A346-S348 VanDerWaalsContact C-N 3.28Å; A346-S348 PolarHBondContact O-N 3.03Å; A346-P354 CarbonylContact C-O 3.54Å; A346-P354 VanDerWaalsContact CA-O 3.29Å; A346-P354 WeakPolarHBondContact CA-O 3.16Å |
| 347 | G | 92.6 | Very high | 92.8 | Very high | 35 Ų | 35 | 38.6 Ų | 38.6 | 36% | 0.361 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 4.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | P345 L353 P354 | P345-G347 PolarHBondContact O-N 3.26Å; G347-L353 CarbonylContact C-O 3.07Å; G347-L353 WeakPolarHBondContact CA-O 3.06Å; G347-P354 PolarHBondContact N-O 3.49Å |
| 348 | S | 90.8 | Very high | 92.7 | Very high | 54 Ų | 54 | 41 Ų | 41 | 38% | 0.378 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -23.9 | -173.4 | 59.5 | 0 | 0 | 0 | 0 | 115.6 | V344 P345 A346 G350 L353 | V344-S348 VanDerWaalsContact CG1-OG 3.26Å; V344-S348 WeakPolarHBondContact CG1-OG 3.45Å; P345-S348 VanDerWaalsContact O-CB 3.27Å; P345-S348 WeakPolarHBondContact O-CB 3.39Å; P345-S348 PolarHBondContact O-N 2.94Å; P345-S348 PolarHBondContact O-OG 3.12Å; A346-S348 VanDerWaalsContact C-N 3.28Å; A346-S348 PolarHBondContact O-N 3.03Å; S348-G350 VanDerWaalsContact C-N 3.3Å; S348-L353 PolarHBondContact N-O 3.32Å; S348-L353 VanDerWaalsContact N-O 3.16Å |
| 349 | E | 84.8 | Confident | 92.7 | Very high | 128 Ų | 128 | 40.5 Ų | 40.5 | 60% | 0.598 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 6.8 | 179.8 | -61.8 | -170.5 | 167.5 | 0 | 0 | 112.6 | K342 V344 L353 | K342-E349 IonicContact NZ-OE1 3.93Å; V344-E349 HydrophobicContact CG1-CG 3.9Å; E349-L353 PolarHBondContact N-O 2.87Å |
| 350 | G | 79.1 | Confident | 92.7 | Very high | 36 Ų | 36 | 41.5 Ų | 41.5 | 37% | 0.371 | 28% | 0.282 | S | S | . | . | B | Isolated β-bridge | trans | 89.9 | 171.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | S348 G352 L353 | S348-G350 VanDerWaalsContact C-N 3.3Å; G350-G352 PolarHBondContact O-N 3.01Å; G350-L353 PolarHBondContact O-N 3.12Å |
| 351 | A | 84.4 | Confident | 92.7 | Very high | 112 Ų | 112 | 41.5 Ų | 41.5 | 93% | 0.926 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 11.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 352 | G | 82.1 | Confident | 92.7 | Very high | 49 Ų | 49 | 45.8 Ų | 45.8 | 51% | 0.505 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 14.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G350 | G350-G352 PolarHBondContact O-N 3.01Š|
| 353 | L | 88.2 | Confident | 92.7 | Very high | 100 Ų | 100 | 44.6 Ų | 44.6 | 52% | 0.524 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -104.5 | 149.2 | 178.6 | -61.8 | 178 | 0 | 0 | 0 | 112.4 | G347 S348 E349 G350 | G347-L353 CarbonylContact C-O 3.07Å; G347-L353 WeakPolarHBondContact CA-O 3.06Å; S348-L353 PolarHBondContact N-O 3.32Å; S348-L353 VanDerWaalsContact N-O 3.16Å; E349-L353 PolarHBondContact N-O 2.87Å; G350-L353 PolarHBondContact O-N 3.12Å |
| 354 | P | 91.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | S | Bend | cis | -65.8 | 153.2 | -13.1 | 29.6 | -35.7 | 0 | 0 | 0 | 111.4 | V344 A346 G347 S356 E358 | V344-P354 HydrophobicContact CB-CG 4.24Å; V344-P354 HydrophobicContact CG1-CG 3.67Å; A346-P354 CarbonylContact C-O 3.54Å; A346-P354 VanDerWaalsContact CA-O 3.29Å; A346-P354 WeakPolarHBondContact CA-O 3.16Å; G347-P354 PolarHBondContact N-O 3.49Å; P354-S356 WeakPolarHBondContact CB-O 3.23Å; P354-S356 WeakPolarHBondContact CG-O 3.49Å; P354-S356 PolarHBondContact O-N 2.99Å; P354-E358 HydrophobicContact CB-CG 3.84Å; P354-E358 VanDerWaalsContact CB-OE1 3.31Å; P354-E358 WeakPolarHBondContact CB-OE1 3.37Å; P354-E358 HydrophobicContact CG-CG 4.09Å |
| 355 | P | 91 | Very high | 92.8 | Very high | 111 Ų | 111 | 47.7 Ų | 47.7 | 72% | 0.721 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -71.9 | -14.4 | -173.2 | 30.1 | -36.5 | 0 | 0 | 0 | 113.6 | ||
| 356 | S | 94 | Very high | 92.8 | Very high | 33 Ų | 33 | 46 Ų | 46 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -140.9 | 169.1 | 168.3 | 69.9 | 0 | 0 | 0 | 0 | 108.1 | P354 G416 | P354-S356 WeakPolarHBondContact CB-O 3.23Å; P354-S356 WeakPolarHBondContact CG-O 3.49Å; P354-S356 PolarHBondContact O-N 2.99Å; S356-G416 WeakPolarHBondContact OG-CA 3.42Å; S356-G416 PolarHBondContact OG-N 3.41Å |
| 357 | G | 94.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | trans | -73.7 | 132.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | V344 G416 F417 | V344-G357 CarbonylContact O-C 3.59Å; V344-G357 VanDerWaalsContact O-CA 3.28Å; V344-G357 WeakPolarHBondContact O-CA 3.46Å; G357-G416 PolarHBondContact O-N 3.38Å; G357-F417 VanDerWaalsContact CA-O 3.28Å; G357-F417 WeakPolarHBondContact CA-O 3.47Å; G357-F417 PolarHBondContact O-N 2.76Å | ||
| 358 | E | 97 | Very high | 92.4 | Very high | 50 Ų | 50 | 51.9 Ų | 51.9 | 23% | 0.234 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 132.3 | -176.6 | -63.9 | -178.2 | -179 | 0 | 0 | 112.1 | Y343 V344 P354 H360 V413 Y414 | Y343-E358 CarbonylContact C-O 3.52Å; Y343-E358 WeakPolarHBondContact CA-O 3.39Å; Y343-E358 VanDerWaalsContact CD2-O 3.23Å; Y343-E358 WeakPolarHBondContact CD2-O 3.25Å; V344-E358 HydrophobicContact CB-CB 4.39Å; V344-E358 PolarHBondContact N-O 3.45Å; V344-E358 PolarHBondContact O-N 3.2Å; P354-E358 HydrophobicContact CB-CG 3.84Å; P354-E358 VanDerWaalsContact CB-OE1 3.31Å; P354-E358 WeakPolarHBondContact CB-OE1 3.37Å; P354-E358 HydrophobicContact CG-CG 4.09Å; E358-H360 IonicContact OE2-CD2 2.69Å; E358-H360 IonicContact OE2-CE1 3.55Å; E358-H360 IonicContact OE2-NE2 2.73Å; E358-H360 PolarHBondContact OE2-NE2 3.08Å; E358-V413 HydrophobicContact CB-CG1 4.18Å; E358-V413 HydrophobicContact CG-CG1 4.41Å; E358-Y414 CarbonylContact C-O 3.58Å; E358-Y414 WeakPolarHBondContact CA-O 3.49Å |
| 359 | L | 97.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 117 | 173.8 | 179.7 | 62 | 0 | 0 | 0 | 110.1 | F361 V385 V413 Y414 L422 W472 L475 | L359-F361 HydrophobicContact CB-CE2 4.49Å; L359-F361 HydrophobicContact CD1-CZ 4.42Å; L359-F361 HydrophobicContact CD2-CE1 4.35Å; L359-F361 HydrophobicContact CD2-CE2 3.74Å; L359-F361 HydrophobicContact CD2-CZ 3.39Å; L359-F361 HydrophobicContact CG-CD2 4.46Å; L359-F361 HydrophobicContact CG-CE1 4.46Å; L359-F361 HydrophobicContact CG-CE2 3.64Å; L359-F361 HydrophobicContact CG-CZ 3.64Å; L359-V385 HydrophobicContact CD2-CG2 4.44Å; L359-V413 WeakPolarHBondContact O-CA 3.35Å; L359-Y414 PolarHBondContact N-O 2.99Å; L359-Y414 PolarHBondContact O-N 2.99Å; L359-L422 HydrophobicContact CD2-CD2 4Å; L359-W472 HydrophobicContact CD1-CZ3 4.44Å; L359-W472 HydrophobicContact CD2-CH2 3.65Å; L359-W472 HydrophobicContact CD2-CZ3 4.09Å; L359-L475 HydrophobicContact CD1-CD1 4.33Å; L359-L475 HydrophobicContact CD1-CD2 3.72Å |
| 360 | H | 98.3 | Very high | 92.1 | Very high | 23 Ų | 23 | 47.5 Ų | 47.5 | 11% | 0.106 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 130 | -174.1 | -69.9 | -125.5 | 0 | 0 | 0 | 110.7 | L341 K342 E358 W482 | L341-H360 WeakPolarHBondContact CA-O 3.37Å; K342-H360 HydrophobicContact CB-CB 4.14Å; K342-H360 PolarHBondContact N-O 3.41Å; K342-H360 PolarHBondContact O-N 3.41Å; E358-H360 IonicContact OE2-CD2 2.69Å; E358-H360 IonicContact OE2-CE1 3.55Å; E358-H360 IonicContact OE2-NE2 2.73Å; E358-H360 PolarHBondContact OE2-NE2 3.08Å; H360-W482 HydrophobicContact CB-CH2 3.7Å; H360-W482 HydrophobicContact CB-CZ3 4Å |
| 361 | F | 98.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 101.3 | 175.7 | -56.1 | -93 | 0 | 0 | 0 | 109.8 | L341 L359 V363 V385 T411 M412 Y414 A427 L429 L447 W472 | L341-F361 HydrophobicContact CD2-CD1 3.35Å; L341-F361 HydrophobicContact CD2-CE1 3.8Å; L341-F361 HydrophobicContact CD2-CG 4.27Å; L359-F361 HydrophobicContact CB-CE2 4.49Å; L359-F361 HydrophobicContact CD1-CZ 4.42Å; L359-F361 HydrophobicContact CD2-CE1 4.35Å; L359-F361 HydrophobicContact CD2-CE2 3.74Å; L359-F361 HydrophobicContact CD2-CZ 3.39Å; L359-F361 HydrophobicContact CG-CD2 4.46Å; L359-F361 HydrophobicContact CG-CE1 4.46Å; L359-F361 HydrophobicContact CG-CE2 3.64Å; L359-F361 HydrophobicContact CG-CZ 3.64Å; F361-V363 PolarHBondContact O-N 2.79Å; F361-V385 HydrophobicContact CE2-CG2 3.93Å; F361-V385 HydrophobicContact CZ-CG2 3.93Å; F361-T411 CarbonylContact O-C 3.56Å; F361-T411 VanDerWaalsContact O-CA 3.3Å; F361-T411 WeakPolarHBondContact O-CA 3.39Å; F361-M412 HydrophobicContact CB-CB 4.34Å; F361-M412 PolarHBondContact N-O 3.39Å; F361-M412 PolarHBondContact O-N 3.37Å; F361-Y414 AromaticContact CD2-CD2 3.79Å; F361-Y414 HydrophobicContact CD2-CD2 3.79Å; F361-Y414 HydrophobicContact CD2-CE2 4.09Å; F361-Y414 AromaticContact CE2-CD2 3.51Å; F361-Y414 HydrophobicContact CE2-CD2 3.51Å; F361-Y414 AromaticContact CE2-CE2 3.95Å; F361-Y414 HydrophobicContact CE2-CE2 3.95Å; F361-Y414 HydrophobicContact CE2-CG 4.32Å; F361-A427 HydrophobicContact CE1-CB 3.36Å; F361-A427 HydrophobicContact CZ-CB 3.36Å; F361-L429 HydrophobicContact CD1-CD1 4.02Å; F361-L429 HydrophobicContact CE1-CD1 4.1Å; F361-L447 HydrophobicContact CD1-CD1 4.4Å; F361-L447 HydrophobicContact CE1-CD1 4.14Å; F361-W472 HydrophobicContact CE1-CZ3 4.48Å |
| 362 | W | 98.6 | Very high | 91.3 | Very high | 90 Ų | 90 | 43.2 Ų | 43.2 | 34% | 0.341 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 97.8 | 172.4 | 179.7 | 25.2 | 0 | 0 | 0 | 109.7 | L339 S340 K364 W482 | L339-W362 CarbonylContact C-O 3.51Å; L339-W362 WeakPolarHBondContact CA-O 3.31Å; L339-W362 WeakPolarHBondContact CB-O 3.36Å; S340-W362 PolarHBondContact N-O 2.98Å; S340-W362 PolarHBondContact O-N 2.79Å; W362-K364 HydrophobicContact CD2-CG 4.01Å; W362-K364 VanDerWaalsContact CE3-CE 3.41Å; W362-K364 HydrophobicContact CE3-CG 4.46Å; W362-K364 HydrophobicContact CG-CG 4.36Å; W362-K364 HydrophobicContact CZ2-CG 4.22Å; W362-K364 PolarHBondContact O-N 2.98Å; W362-W482 HydrophobicContact CB-CH2 3.94Å; W362-W482 HydrophobicContact CB-CZ3 3.76Å |
| 363 | V | 98.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 108.5 | 175.6 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | L337 F361 V381 T397 F408 N409 H410 M412 L429 | L337-V363 HydrophobicContact CD1-CG1 4.18Å; F361-V363 PolarHBondContact O-N 2.79Å; V363-V381 HydrophobicContact CG1-CB 4.22Å; V363-V381 HydrophobicContact CG1-CG1 4.33Å; V363-V381 HydrophobicContact CG1-CG2 4.01Å; V363-V381 HydrophobicContact CG2-CG1 4.37Å; V363-T397 HydrophobicContact CB-CG2 4.43Å; V363-T397 HydrophobicContact CG1-CG2 4.38Å; V363-F408 HydrophobicContact CG1-CB 4.08Å; V363-F408 HydrophobicContact CG1-CD2 3.83Å; V363-F408 HydrophobicContact CG1-CG 4.18Å; V363-N409 WeakPolarHBondContact O-CA 3.32Å; V363-N409 PolarHBondContact O-N 3.24Å; V363-N409 VanDerWaalsContact O-N 3.09Å; V363-H410 PolarHBondContact N-O 3.4Å; V363-H410 PolarHBondContact O-N 3.27Å; V363-M412 HydrophobicContact CG2-CE 4.35Å; V363-L429 HydrophobicContact CG2-CD2 4.05Å |
| 364 | K | 98.1 | Very high | 89.5 | Confident | 36 Ų | 36 | 49.1 Ų | 49.1 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -65.7 | -176.2 | -65.2 | 173.8 | 176.7 | 171.6 | 0 | 110.7 | A338 S340 W362 F408 N409 D484 | A338-K364 HydrophobicContact CB-CB 4.4Å; A338-K364 WeakPolarHBondContact O-CB 3.45Å; A338-K364 PolarHBondContact O-N 2.9Å; S340-K364 WeakPolarHBondContact OG-CE 3.5Å; S340-K364 PolarHBondContact OG-NZ 3.5Å; W362-K364 HydrophobicContact CD2-CG 4.01Å; W362-K364 VanDerWaalsContact CE3-CE 3.41Å; W362-K364 HydrophobicContact CE3-CG 4.46Å; W362-K364 HydrophobicContact CG-CG 4.36Å; W362-K364 HydrophobicContact CZ2-CG 4.22Å; W362-K364 PolarHBondContact O-N 2.98Å; K364-F408 PolarHBondContact O-N 3.12Å; K364-N409 PolarHBondContact O-N 3.3Å; K364-N409 PolarHBondContact O-OD1 3.27Å; K364-D484 IonicContact NZ-OD1 2.82Å; K364-D484 PolarHBondContact NZ-OD1 3.48Å; K364-D484 IonicContact NZ-OD2 2.77Å; K364-D484 PolarHBondContact NZ-OD2 2.86Å |
| 365 | E | 98 | Very high | 88.5 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 168.8 | -174.4 | 63.4 | 178.7 | 144 | 0 | 0 | 111.4 | A338 R367 P406 V407 | A338-E365 HydrophobicContact CB-CG 3.79Å; A338-E365 PolarHBondContact N-O 2.83Å; A338-E365 PolarHBondContact O-N 2.92Å; E365-R367 VanDerWaalsContact CD-NE 3.26Å; E365-R367 HydrophobicContact CG-CG 4.31Å; E365-R367 IonicContact OE1-CZ 3.6Å; E365-R367 IonicContact OE1-NE 3.91Å; E365-R367 PolarHBondContact OE1-NE 2.75Å; E365-R367 IonicContact OE1-NH2 3.59Å; E365-R367 PolarHBondContact OE1-NH2 3.47Å; E365-R367 IonicContact OE2-NE 2.68Å; E365-R367 PolarHBondContact OE2-NE 3.18Å; E365-P406 CarbonylContact C-O 3.54Å; E365-P406 WeakPolarHBondContact CA-O 3.18Å; E365-P406 WeakPolarHBondContact CB-O 3.16Å; E365-V407 HydrophobicContact CB-CB 4.42Å; E365-V407 HydrophobicContact CB-CG2 4.13Å |
| 366 | A | 96.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 152 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L336 L337 L369 S405 P406 F408 L431 L489 | L336-A366 CarbonylContact O-C 3.36Å; L336-A366 WeakPolarHBondContact O-CA 3.38Å; L336-A366 WeakPolarHBondContact O-CB 3.19Å; L337-A366 HydrophobicContact CD1-CB 4.22Å; A366-L369 HydrophobicContact CB-CD1 4.3Å; A366-L369 HydrophobicContact CB-CD2 3.91Å; A366-L369 HydrophobicContact CB-CG 4.27Å; A366-S405 CarbonylContact O-C 3.54Å; A366-S405 WeakPolarHBondContact O-CA 3.41Å; A366-P406 HydrophobicContact CB-CG 4Å; A366-P406 PolarHBondContact N-O 2.97Å; A366-P406 WeakPolarHBondContact O-CD 3.29Å; A366-F408 HydrophobicContact CB-CE2 4.16Å; A366-L431 HydrophobicContact CB-CD2 4.34Å; A366-L489 HydrophobicContact CB-CD1 4.25Å |
| 367 | R | 91.9 | Very high | 87.6 | Confident | 108 Ų | 108 | 48 Ų | 48 | 41% | 0.408 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 156.8 | -178 | -61.6 | -177.2 | -178.1 | 177.3 | 3.6 | 110.8 | G335 L336 E365 L369 | G335-R367 CarbonylContact C-O 3.59Å; G335-R367 VanDerWaalsContact CA-O 3.26Å; G335-R367 WeakPolarHBondContact CA-O 3.38Å; L336-R367 PolarHBondContact N-O 2.73Å; L336-R367 PolarHBondContact O-N 3.32Å; E365-R367 VanDerWaalsContact CD-NE 3.26Å; E365-R367 HydrophobicContact CG-CG 4.31Å; E365-R367 IonicContact OE1-CZ 3.6Å; E365-R367 IonicContact OE1-NE 3.91Å; E365-R367 PolarHBondContact OE1-NE 2.75Å; E365-R367 IonicContact OE1-NH2 3.59Å; E365-R367 PolarHBondContact OE1-NH2 3.47Å; E365-R367 IonicContact OE2-NE 2.68Å; E365-R367 PolarHBondContact OE2-NE 3.18Å; R367-L369 PolarHBondContact O-N 3.24Å |
| 368 | D | 85.9 | Confident | 87.5 | Confident | 111 Ų | 111 | 49.4 Ų | 49.4 | 59% | 0.594 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 54.5 | 37.2 | 171.9 | -51.6 | -52.1 | 0 | 0 | 0 | 113.9 | G335 L370 | G335-D368 VanDerWaalsContact CA-O 3.29Å; G335-D368 WeakPolarHBondContact CA-O 3.48Å; D368-L370 PolarHBondContact O-N 2.92Å |
| 369 | L | 87.7 | Confident | 87.5 | Confident | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | trans | -66.4 | 127.5 | -175.1 | -65.8 | -175.8 | 0 | 0 | 0 | 112.3 | R334 A366 R367 P371 L377 T379 L404 P406 L431 L489 | R334-L369 WeakPolarHBondContact O-CA 3.3Å; A366-L369 HydrophobicContact CB-CD1 4.3Å; A366-L369 HydrophobicContact CB-CD2 3.91Å; A366-L369 HydrophobicContact CB-CG 4.27Å; R367-L369 PolarHBondContact O-N 3.24Å; L369-P371 VanDerWaalsContact O-CD 3.24Å; L369-P371 WeakPolarHBondContact O-CD 3.46Å; L369-L377 HydrophobicContact CB-CD1 4.01Å; L369-L377 HydrophobicContact CD1-CD1 4.1Å; L369-T379 HydrophobicContact CD1-CG2 4.03Å; L369-L404 HydrophobicContact CB-CB 4.5Å; L369-L404 VanDerWaalsContact CB-O 3.28Å; L369-L404 WeakPolarHBondContact CB-O 3.49Å; L369-L404 VanDerWaalsContact CG-O 3.28Å; L369-L404 WeakPolarHBondContact CG-O 3.43Å; L369-L404 PolarHBondContact N-O 3.23Å; L369-P406 VanDerWaalsContact CD1-CD 3.46Å; L369-P406 HydrophobicContact CD1-CG 3.69Å; L369-L431 HydrophobicContact CD1-CD2 3.82Å; L369-L431 HydrophobicContact CD2-CD2 3.46Å; L369-L431 VanDerWaalsContact CD2-CD2 3.46Å; L369-L431 HydrophobicContact CG-CD2 4.32Å; L369-L489 HydrophobicContact CD2-CD1 3.55Å | ||
| 370 | L | 81.8 | Confident | 87.6 | Confident | 82 Ų | 82 | 47.2 Ų | 47.2 | 43% | 0.429 | 26% | 0.257 | S | S | . | . | trans | -95.8 | 100.6 | 178.8 | -62.1 | -178.6 | 0 | 0 | 0 | 110.6 | L331 R334 D368 | L331-L370 HydrophobicContact CD1-CB 4.44Å; L331-L370 HydrophobicContact CD1-CD1 3.8Å; R334-L370 HydrophobicContact CB-CB 4.21Å; R334-L370 HydrophobicContact CG-CB 4.29Å; R334-L370 PolarHBondContact O-N 2.87Å; R334-L370 VanDerWaalsContact O-N 3.16Å; D368-L370 PolarHBondContact O-N 2.92Å | ||
| 371 | P | 75.9 | Confident | 87.6 | Confident | 40 Ų | 40 | 46.1 Ų | 46.1 | 26% | 0.26 | 25% | 0.251 | S | S | . | . | trans | -73 | 140 | -169 | 31.7 | -37.5 | 0 | 0 | 0 | 112.2 | L369 R373 L377 L404 | L369-P371 VanDerWaalsContact O-CD 3.24Å; L369-P371 WeakPolarHBondContact O-CD 3.46Å; P371-R373 WeakPolarHBondContact CB-O 3.42Å; P371-R373 PolarHBondContact O-N 2.69Å; P371-R373 VanDerWaalsContact O-N 3.12Å; P371-L377 HydrophobicContact CB-CD1 4Å; P371-L377 HydrophobicContact CB-CD2 3.76Å; P371-L377 HydrophobicContact CB-CG 3.89Å; P371-L404 HydrophobicContact CB-CD2 4.18Å; P371-L404 HydrophobicContact CG-CD2 4.18Å | ||
| 372 | L | 71.3 | Confident | 87.5 | Confident | 18 Ų | 18 | 46.7 Ų | 46.7 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -62.1 | -17.1 | 179.2 | -77 | 156 | 0 | 0 | 0 | 115.1 | P328 D329 R334 R440 L442 | P328-L372 HydrophobicContact CB-CD2 4.41Å; D329-L372 VanDerWaalsContact OD1-CD2 3.25Å; D329-L372 WeakPolarHBondContact OD1-CD2 3.33Å; R334-L372 VanDerWaalsContact NH1-CG 3.34Å; L372-R440 HydrophobicContact CD1-CB 4.23Å; L372-R440 HydrophobicContact CD1-CG 3.77Å; L372-L442 HydrophobicContact CD1-CD2 3.62Å; L372-L442 HydrophobicContact CD1-CG 4.46Å; L372-L442 HydrophobicContact CG-CD2 3.98Å |
| 373 | R | 69.3 | Low | 87.5 | Confident | 163 Ų | 163 | 42.4 Ų | 42.4 | 62% | 0.615 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -151.1 | 152.8 | -179.7 | -67.2 | 178.4 | -68.8 | -174.6 | -2 | 107.5 | P371 G375 D433 | P371-R373 WeakPolarHBondContact CB-O 3.42Å; P371-R373 PolarHBondContact O-N 2.69Å; P371-R373 VanDerWaalsContact O-N 3.12Å; R373-G375 PolarHBondContact O-N 3.15Å; R373-D433 IonicContact NH2-OD2 2.64Å |
| 374 | A | 63.7 | Low | 87.5 | Confident | 111 Ų | 111 | 42.9 Ų | 42.9 | 92% | 0.917 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -60.2 | 122.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 375 | G | 70.6 | Confident | 87.4 | Confident | 54 Ų | 54 | 41.3 Ų | 41.3 | 56% | 0.557 | 23% | 0.233 | S | C | * | . | S | Bend | trans | 150.4 | 177.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112 | R373 | R373-G375 PolarHBondContact O-N 3.15Š|
| 376 | S | 77 | Confident | 87.4 | Confident | 66 Ų | 66 | 39.6 Ų | 39.6 | 46% | 0.462 | 23% | 0.225 | S | C | . | . | trans | -90.3 | 138.8 | 172.8 | 62.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 377 | L | 87.8 | Confident | 87.2 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | trans | -87.1 | 146 | -178.6 | -59.5 | 168.6 | 0 | 0 | 0 | 112.1 | L369 P371 T379 R402 S403 L404 D433 L442 | L369-L377 HydrophobicContact CB-CD1 4.01Å; L369-L377 HydrophobicContact CD1-CD1 4.1Å; P371-L377 HydrophobicContact CB-CD1 4Å; P371-L377 HydrophobicContact CB-CD2 3.76Å; P371-L377 HydrophobicContact CB-CG 3.89Å; L377-T379 HydrophobicContact CB-CG2 3.6Å; L377-T379 HydrophobicContact CD1-CG2 4.31Å; L377-R402 CarbonylContact O-C 3.56Å; L377-R402 VanDerWaalsContact O-CA 3.26Å; L377-R402 WeakPolarHBondContact O-CA 3.49Å; L377-R402 PolarHBondContact O-N 3.22Å; L377-S403 PolarHBondContact O-N 2.93Å; L377-L404 HydrophobicContact CB-CD2 4.46Å; L377-L404 HydrophobicContact CD1-CD2 3.69Å; L377-L404 HydrophobicContact CG-CD2 3.8Å; L377-D433 HydrophobicContact CD2-CB 4.22Å; L377-L442 HydrophobicContact CD1-CD1 3.91Å; L377-L442 HydrophobicContact CD1-CD2 4.24Å; L377-L442 HydrophobicContact CD2-CD2 4.24Å | ||
| 378 | D | 94.2 | Very high | 87.3 | Confident | 34 Ų | 34 | 41.3 Ų | 41.3 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | trans | -109.2 | 92.4 | 170.7 | -86.8 | 18.9 | 0 | 0 | 0 | 108.3 | V399 V400 R401 R402 D433 H434 | D378-V399 HydrophobicContact CB-CG1 4.14Å; D378-V400 CarbonylContact C-O 3.57Å; D378-R401 HydrophobicContact CB-CG 4.38Å; D378-R401 VanDerWaalsContact OD1-CA 3.26Å; D378-R401 WeakPolarHBondContact OD1-CA 3.19Å; D378-R401 WeakPolarHBondContact OD1-CB 3.4Å; D378-R401 WeakPolarHBondContact OD2-CD 3.48Å; D378-R401 VanDerWaalsContact OD2-CG 3.27Å; D378-R401 WeakPolarHBondContact OD2-CG 3.3Å; D378-R401 IonicContact OD2-NE 2.76Å; D378-R401 PolarHBondContact OD2-NE 3.02Å; D378-R402 PolarHBondContact OD1-N 2.7Å; D378-D433 PolarHBondContact N-OD1 2.75Å; D378-H434 HydrophobicContact CB-CB 4.27Å; D378-H434 WeakPolarHBondContact O-CA 3.07Å; D378-H434 WeakPolarHBondContact O-CB 2.94Å; D378-H434 PolarHBondContact O-N 3.09Å | ||
| 379 | T | 96.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 149.2 | -161.1 | 61 | 0 | 0 | 0 | 0 | 115.1 | L369 L377 V399 V400 P406 W432 L442 | L369-T379 HydrophobicContact CD1-CG2 4.03Å; L377-T379 HydrophobicContact CB-CG2 3.6Å; L377-T379 HydrophobicContact CD1-CG2 4.31Å; T379-V399 CarbonylContact O-C 3.57Å; T379-V399 VanDerWaalsContact O-CA 3.29Å; T379-V399 WeakPolarHBondContact O-CA 3.33Å; T379-V400 PolarHBondContact N-O 2.84Å; T379-V400 PolarHBondContact O-N 3.31Å; T379-P406 HydrophobicContact CG2-CG 4.4Å; T379-P406 WeakPolarHBondContact OG1-CB 3.19Å; T379-P406 VanDerWaalsContact OG1-CG 3.24Å; T379-P406 WeakPolarHBondContact OG1-CG 3.33Å; T379-W432 CarbonylContact C-O 3.54Å; T379-W432 VanDerWaalsContact CA-O 3.22Å; T379-W432 WeakPolarHBondContact CA-O 3.4Å; T379-L442 HydrophobicContact CG2-CD1 3.92Å |
| 380 | Y | 98.1 | Very high | 87.9 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 153.1 | 162.8 | 66.1 | -93.5 | 0 | 0 | 0 | 111.2 | Q382 R396 T397 V399 W432 H434 | Y380-Q382 HydrophobicContact CD2-CB 4.45Å; Y380-Q382 HydrophobicContact CE2-CB 4.2Å; Y380-R396 VanDerWaalsContact CZ-NH1 3.35Å; Y380-R396 PolarHBondContact OH-NH1 3.4Å; Y380-R396 PolarHBondContact OH-NH2 3.35Å; Y380-T397 WeakPolarHBondContact CA-OG1 3.23Å; Y380-V399 HydrophobicContact CD1-CG2 4.05Å; Y380-W432 HydrophobicContact CD1-CB 4.19Å; Y380-W432 HydrophobicContact CD2-CB 4.13Å; Y380-W432 HydrophobicContact CD2-CG 4.46Å; Y380-W432 HydrophobicContact CE1-CB 3.66Å; Y380-W432 HydrophobicContact CE1-CG 4.44Å; Y380-W432 HydrophobicContact CE2-CB 3.54Å; Y380-W432 AromaticContact CE2-CD1 3.65Å; Y380-W432 HydrophobicContact CE2-CD2 4.44Å; Y380-W432 AromaticContact CE2-CG 3.59Å; Y380-W432 HydrophobicContact CE2-CG 3.59Å; Y380-W432 HydrophobicContact CG-CB 4.4Å; Y380-W432 AromaticContact CZ-CG 3.58Å; Y380-W432 PolarHBondContact N-O 2.93Å; Y380-W432 PolarHBondContact O-N 2.92Å; Y380-W432 WeakPolarHBondContact OH-CB 3.42Å; Y380-H434 HydrophobicContact CD1-CB 4.2Å; Y380-H434 HydrophobicContact CE1-CB 4.18Å |
| 381 | V | 98.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 144.4 | 170.3 | 176.9 | 0 | 0 | 0 | 0 | 109.9 | L337 V363 R396 T397 F408 L429 S430 L431 | L337-V381 HydrophobicContact CD1-CG2 3.96Å; V363-V381 HydrophobicContact CG1-CB 4.22Å; V363-V381 HydrophobicContact CG1-CG1 4.33Å; V363-V381 HydrophobicContact CG1-CG2 4.01Å; V363-V381 HydrophobicContact CG2-CG1 4.37Å; V381-R396 CarbonylContact O-C 3.6Å; V381-R396 VanDerWaalsContact O-CA 3.32Å; V381-R396 WeakPolarHBondContact O-CA 3.27Å; V381-T397 HydrophobicContact CB-CG2 3.81Å; V381-T397 PolarHBondContact N-OG1 2.88Å; V381-T397 PolarHBondContact O-N 3.43Å; V381-F408 HydrophobicContact CG2-CD2 4.13Å; V381-F408 HydrophobicContact CG2-CE1 4.47Å; V381-F408 HydrophobicContact CG2-CE2 3.75Å; V381-F408 HydrophobicContact CG2-CZ 3.95Å; V381-L429 HydrophobicContact CG1-CB 4.31Å; V381-L429 HydrophobicContact CG1-CD2 4.48Å; V381-S430 CarbonylContact C-O 3.42Å; V381-S430 WeakPolarHBondContact CA-O 3.37Å; V381-L431 HydrophobicContact CG2-CD1 3.48Å; V381-L431 VanDerWaalsContact CG2-CD1 3.48Å |
| 382 | Q | 97.9 | Very high | 89 | Confident | 12 Ų | 12 | 47 Ų | 47 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 125.2 | -179.3 | 171 | -174 | -89.1 | 0 | 0 | 109.6 | Y380 F384 R394 Q395 R396 S430 | Y380-Q382 HydrophobicContact CD2-CB 4.45Å; Y380-Q382 HydrophobicContact CE2-CB 4.2Å; Q382-F384 HydrophobicContact CG-CE2 4.15Å; Q382-R394 HydrophobicContact CG-CG 3.73Å; Q382-R394 VanDerWaalsContact OE1-CD 3.32Å; Q382-Q395 WeakPolarHBondContact CA-O 3.48Å; Q382-R396 HydrophobicContact CB-CG 3.93Å; Q382-R396 HydrophobicContact CG-CG 4.01Å; Q382-R396 VanDerWaalsContact OE1-CZ 3.31Å; Q382-S430 PolarHBondContact N-O 2.89Å; Q382-S430 PolarHBondContact NE2-OG 2.88Å; Q382-S430 PolarHBondContact O-N 3.37Å; Q382-S430 PolarHBondContact O-OG 3.33Å |
| 383 | C | 98.3 | Very high | 90 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 149.8 | 179.5 | -165.3 | 0 | 0 | 0 | 0 | 111.9 | R394 Q395 M412 Y414 E428 L429 | C383-R394 WeakPolarHBondContact O-CA 3.04Å; C383-Q395 PolarHBondContact N-O 3.1Å; C383-Q395 PolarHBondContact O-N 3.26Å; C383-M412 HydrophobicContact CB-SD 3.41Å; C383-M412 WeakPolarHBondContact CB-SD 3.41Å; C383-Y414 HydrophobicContact CB-CE2 4.34Å; C383-Y414 PolarHBondContact O-OH 3.41Å; C383-E428 WeakPolarHBondContact CA-O 3.44Å; C383-L429 HydrophobicContact CB-CG 4.4Å |
| 384 | F | 97.6 | Very high | 91.3 | Very high | 9 Ų | 9 | 43 Ų | 43 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 154.5 | 161.3 | -67.5 | -95.5 | 0 | 0 | 0 | 108.2 | Q382 L386 D389 S390 R394 A427 E428 | Q382-F384 HydrophobicContact CG-CE2 4.15Å; F384-L386 HydrophobicContact CB-CD2 4.4Å; F384-D389 WeakPolarHBondContact CE1-O 3.5Å; F384-S390 WeakPolarHBondContact CE1-O 3.27Å; F384-R394 HydrophobicContact CD1-CB 3.98Å; F384-R394 HydrophobicContact CD1-CG 4.41Å; F384-R394 HydrophobicContact CD2-CG 4.44Å; F384-R394 HydrophobicContact CE1-CB 3.58Å; F384-R394 HydrophobicContact CE1-CG 3.96Å; F384-R394 HydrophobicContact CE2-CG 4.02Å; F384-R394 HydrophobicContact CZ-CB 3.92Å; F384-R394 HydrophobicContact CZ-CG 3.77Å; F384-A427 CarbonylContact O-C 3.44Å; F384-A427 WeakPolarHBondContact O-CA 3.46Å; F384-E428 PolarHBondContact N-O 2.96Å; F384-E428 VanDerWaalsContact N-O 3.15Å; F384-E428 PolarHBondContact O-N 3.47Å |
| 385 | V | 97.4 | Very high | 93 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 95.6 | 169.3 | -175 | 0 | 0 | 0 | 0 | 108.2 | L359 F361 D388 Y414 F417 A425 A427 | L359-V385 HydrophobicContact CD2-CG2 4.44Å; F361-V385 HydrophobicContact CE2-CG2 3.93Å; F361-V385 HydrophobicContact CZ-CG2 3.93Å; V385-D388 PolarHBondContact O-N 3.45Å; V385-D388 VanDerWaalsContact O-N 3.12Å; V385-Y414 HydrophobicContact CB-CD1 4.23Å; V385-Y414 HydrophobicContact CB-CE1 4.37Å; V385-Y414 HydrophobicContact CG2-CD1 3.66Å; V385-Y414 HydrophobicContact CG2-CD2 3.96Å; V385-Y414 HydrophobicContact CG2-CE1 3.81Å; V385-Y414 HydrophobicContact CG2-CE2 4.09Å; V385-Y414 HydrophobicContact CG2-CG 3.73Å; V385-F417 HydrophobicContact CB-CZ 3.98Å; V385-F417 HydrophobicContact CG1-CE1 3.58Å; V385-F417 HydrophobicContact CG1-CE2 4.42Å; V385-F417 HydrophobicContact CG1-CZ 3.48Å; V385-F417 VanDerWaalsContact CG1-CZ 3.48Å; V385-A425 HydrophobicContact CG1-CB 4.05Å; V385-A427 HydrophobicContact CG2-CB 4.34Å |
| 386 | L | 96.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 141.3 | -177.8 | -57.5 | 176.2 | 0 | 0 | 0 | 110 | F384 D389 A425 C426 E428 W461 | F384-L386 HydrophobicContact CB-CD2 4.4Å; L386-D389 HydrophobicContact CD2-CB 4.05Å; L386-A425 CarbonylContact O-C 3.48Å; L386-A425 VanDerWaalsContact O-CA 3.23Å; L386-A425 WeakPolarHBondContact O-CA 3.38Å; L386-C426 HydrophobicContact CB-CB 4.28Å; L386-C426 VanDerWaalsContact CB-O 3.29Å; L386-C426 WeakPolarHBondContact CB-O 3.19Å; L386-C426 PolarHBondContact N-O 3.33Å; L386-C426 PolarHBondContact O-N 3.34Å; L386-E428 HydrophobicContact CD1-CB 4.33Å; L386-W461 HydrophobicContact CB-CD2 4.18Å; L386-W461 HydrophobicContact CB-CE3 3.73Å; L386-W461 HydrophobicContact CB-CH2 3.78Å; L386-W461 HydrophobicContact CB-CZ2 4.24Å; L386-W461 HydrophobicContact CB-CZ3 3.52Å; L386-W461 HydrophobicContact CD1-CB 4Å; L386-W461 HydrophobicContact CD1-CD2 3.8Å; L386-W461 HydrophobicContact CD1-CE3 3.76Å; L386-W461 HydrophobicContact CD1-CG 3.95Å; L386-W461 HydrophobicContact CD1-CZ3 4.44Å; L386-W461 HydrophobicContact CG-CE3 4.4Å |
| 387 | P | 93.9 | Very high | 95.3 | Very high | 69 Ų | 69 | 39.7 Ų | 39.7 | 45% | 0.448 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -80.2 | -3.5 | 17.4 | 31.5 | -37.7 | 0 | 0 | 0 | 117.2 | D389 Y455 W461 | P387-D389 PolarHBondContact O-N 3.32Å; P387-D389 VanDerWaalsContact O-N 3.12Å; P387-Y455 HydrophobicContact CG-CD2 3.95Å; P387-Y455 HydrophobicContact CG-CE2 3.88Å; P387-W461 HydrophobicContact CB-CH2 3.99Å; P387-W461 HydrophobicContact CB-CZ2 3.95Å |
| 388 | D | 93.8 | Very high | 95.7 | Very high | 76 Ų | 76 | 50 Ų | 50 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -75.3 | 102.3 | 175.4 | -169.5 | -31.2 | 0 | 0 | 0 | 111.2 | V385 S390 S393 | V385-D388 PolarHBondContact O-N 3.45Å; V385-D388 VanDerWaalsContact O-N 3.12Å; D388-S390 WeakPolarHBondContact OD1-CA 3.49Å; D388-S390 WeakPolarHBondContact OD1-CB 3.17Å; D388-S390 PolarHBondContact OD1-N 3.07Å; D388-S390 PolarHBondContact OD1-OG 2.9Å; D388-S393 VanDerWaalsContact CG-CB 3.41Å; D388-S393 VanDerWaalsContact CG-OG 3.24Å; D388-S393 PolarHBondContact O-OG 2.83Å; D388-S393 WeakPolarHBondContact OD1-CB 3.25Å; D388-S393 PolarHBondContact OD1-OG 3.28Å |
| 389 | D | 92.4 | Very high | 95.9 | Very high | 94 Ų | 94 | 50.5 Ų | 50.5 | 50% | 0.503 | 26% | 0.258 | S | S | . | . | trans | -99.5 | 11.9 | 171.5 | 74.8 | -17 | 0 | 0 | 0 | 114 | F384 L386 P387 | F384-D389 WeakPolarHBondContact CE1-O 3.5Å; L386-D389 HydrophobicContact CD2-CB 4.05Å; P387-D389 PolarHBondContact O-N 3.32Å; P387-D389 VanDerWaalsContact O-N 3.12Å | ||
| 390 | S | 92.9 | Very high | 95.9 | Very high | 42 Ų | 42 | 52.2 Ų | 52.2 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | trans | -64.2 | 151.5 | -173.6 | 77.2 | 0 | 0 | 0 | 0 | 112.1 | F384 D388 A392 S393 R394 | F384-S390 WeakPolarHBondContact CE1-O 3.27Å; D388-S390 WeakPolarHBondContact OD1-CA 3.49Å; D388-S390 WeakPolarHBondContact OD1-CB 3.17Å; D388-S390 PolarHBondContact OD1-N 3.07Å; D388-S390 PolarHBondContact OD1-OG 2.9Å; S390-A392 PolarHBondContact O-N 3.46Å; S390-A392 PolarHBondContact OG-N 3.01Å; S390-S393 PolarHBondContact O-N 3.36Å; S390-S393 PolarHBondContact O-OG 2.97Å; S390-S393 PolarHBondContact OG-N 2.97Å; S390-S393 VanDerWaalsContact OG-N 3.17Å; S390-S393 PolarHBondContact OG-OG 2.88Å; S390-R394 PolarHBondContact O-N 3.12Å | ||
| 391 | Q | 91.3 | Very high | 95.7 | Very high | 127 Ų | 127 | 59.8 Ų | 59.8 | 59% | 0.593 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -5.7 | 175.1 | -60 | -62.5 | -78 | 0 | 0 | 113.2 | ||
| 392 | A | 90.7 | Very high | 95.4 | Very high | 96 Ų | 96 | 69.3 Ų | 69.3 | 79% | 0.793 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -38.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | S390 R394 | S390-A392 PolarHBondContact O-N 3.46Å; S390-A392 PolarHBondContact OG-N 3.01Å; A392-R394 VanDerWaalsContact C-N 3.29Å |
| 393 | S | 92.3 | Very high | 94.9 | Very high | 20 Ų | 20 | 70.3 Ų | 70.3 | 14% | 0.14 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -19.1 | 175.2 | 64.4 | 0 | 0 | 0 | 0 | 113.2 | D388 S390 Q395 Y414 | D388-S393 VanDerWaalsContact CG-CB 3.41Å; D388-S393 VanDerWaalsContact CG-OG 3.24Å; D388-S393 PolarHBondContact O-OG 2.83Å; D388-S393 WeakPolarHBondContact OD1-CB 3.25Å; D388-S393 PolarHBondContact OD1-OG 3.28Å; S390-S393 PolarHBondContact O-N 3.36Å; S390-S393 PolarHBondContact O-OG 2.97Å; S390-S393 PolarHBondContact OG-N 2.97Å; S390-S393 VanDerWaalsContact OG-N 3.17Å; S390-S393 PolarHBondContact OG-OG 2.88Å; S393-Q395 PolarHBondContact O-N 2.91Å; S393-Y414 WeakPolarHBondContact O-CE1 3.16Å; S393-Y414 VanDerWaalsContact O-CZ 3.3Å; S393-Y414 PolarHBondContact O-OH 2.92Å |
| 394 | R | 96.4 | Very high | 94.4 | Very high | 76 Ų | 76 | 73.9 Ų | 73.9 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | trans | -64.6 | 112.8 | -178.8 | -175.7 | -173.4 | 56.3 | -155.7 | -18.5 | 113.2 | Q382 C383 F384 S390 A392 | Q382-R394 HydrophobicContact CG-CG 3.73Å; Q382-R394 VanDerWaalsContact OE1-CD 3.32Å; C383-R394 WeakPolarHBondContact O-CA 3.04Å; F384-R394 HydrophobicContact CD1-CB 3.98Å; F384-R394 HydrophobicContact CD1-CG 4.41Å; F384-R394 HydrophobicContact CD2-CG 4.44Å; F384-R394 HydrophobicContact CE1-CB 3.58Å; F384-R394 HydrophobicContact CE1-CG 3.96Å; F384-R394 HydrophobicContact CE2-CG 4.02Å; F384-R394 HydrophobicContact CZ-CB 3.92Å; F384-R394 HydrophobicContact CZ-CG 3.77Å; S390-R394 PolarHBondContact O-N 3.12Å; A392-R394 VanDerWaalsContact C-N 3.29Å | ||
| 395 | Q | 98.2 | Very high | 94.1 | Very high | 58 Ų | 58 | 76.3 Ų | 76.3 | 27% | 0.271 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 156.7 | 170.5 | -62.4 | -173.7 | 41.9 | 0 | 0 | 111.6 | Q382 C383 S393 M412 V413 Y414 | Q382-Q395 WeakPolarHBondContact CA-O 3.48Å; C383-Q395 PolarHBondContact N-O 3.1Å; C383-Q395 PolarHBondContact O-N 3.26Å; S393-Q395 PolarHBondContact O-N 2.91Å; Q395-M412 HydrophobicContact CB-CB 4.16Å; Q395-M412 HydrophobicContact CB-CG 3.94Å; Q395-M412 HydrophobicContact CB-SD 3.54Å; Q395-M412 VanDerWaalsContact CB-SD 3.54Å; Q395-M412 VanDerWaalsContact OE1-CB 3.3Å; Q395-V413 PolarHBondContact NE2-O 2.79Å; Q395-Y414 HydrophobicContact CB-CE2 4.28Å; Q395-Y414 HydrophobicContact CG-CE2 4.1Å; Q395-Y414 PolarHBondContact N-OH 3Å |
| 396 | R | 97.8 | Very high | 94 | Very high | 92 Ų | 92 | 76.1 Ų | 76.1 | 35% | 0.347 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 141.7 | -173.4 | -79.4 | -176.5 | 164.3 | -148.1 | -3.3 | 112.2 | Y380 V381 Q382 | Y380-R396 VanDerWaalsContact CZ-NH1 3.35Å; Y380-R396 PolarHBondContact OH-NH1 3.4Å; Y380-R396 PolarHBondContact OH-NH2 3.35Å; V381-R396 CarbonylContact O-C 3.6Å; V381-R396 VanDerWaalsContact O-CA 3.32Å; V381-R396 WeakPolarHBondContact O-CA 3.27Å; Q382-R396 HydrophobicContact CB-CG 3.93Å; Q382-R396 HydrophobicContact CG-CG 4.01Å; Q382-R396 VanDerWaalsContact OE1-CZ 3.31Å |
| 397 | T | 98.4 | Very high | 94.1 | Very high | 12 Ų | 12 | 79.6 Ų | 79.6 | 7% | 0.074 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -71 | 168.7 | 169.7 | 69.6 | 0 | 0 | 0 | 0 | 111.2 | V363 Y380 V381 F408 H410 M412 | V363-T397 HydrophobicContact CB-CG2 4.43Å; V363-T397 HydrophobicContact CG1-CG2 4.38Å; Y380-T397 WeakPolarHBondContact CA-OG1 3.23Å; V381-T397 HydrophobicContact CB-CG2 3.81Å; V381-T397 PolarHBondContact N-OG1 2.88Å; V381-T397 PolarHBondContact O-N 3.43Å; T397-F408 HydrophobicContact CG2-CB 4.09Å; T397-F408 HydrophobicContact CG2-CD1 4.09Å; T397-F408 HydrophobicContact CG2-CG 4.17Å; T397-F408 WeakPolarHBondContact OG1-CD1 3.39Å; T397-H410 HydrophobicContact CG2-CB 4.14Å; T397-M412 HydrophobicContact CG2-CE 3.6Å |
| 398 | R | 96.9 | Very high | 94.3 | Very high | 222 Ų | 222 | 77.3 Ų | 77.3 | 84% | 0.838 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 159.2 | 159.6 | -64.4 | -179.4 | 179.3 | 178.6 | 0.2 | 110.4 | ||
| 399 | V | 97.5 | Very high | 94.4 | Very high | 45 Ų | 45 | 78.6 Ų | 78.6 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 117.5 | 173.9 | -173.8 | 0 | 0 | 0 | 0 | 110 | D378 T379 Y380 R401 H434 | D378-V399 HydrophobicContact CB-CG1 4.14Å; T379-V399 CarbonylContact O-C 3.57Å; T379-V399 VanDerWaalsContact O-CA 3.29Å; T379-V399 WeakPolarHBondContact O-CA 3.33Å; Y380-V399 HydrophobicContact CD1-CG2 4.05Å; V399-R401 HydrophobicContact CG1-CG 4.32Å; V399-H434 HydrophobicContact CG1-CB 4.07Å |
| 400 | V | 97.1 | Very high | 94.7 | Very high | 36 Ų | 36 | 77 Ų | 77 | 22% | 0.218 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -91.9 | 115.2 | 173.8 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | D378 T379 P406 V407 F408 | D378-V400 CarbonylContact C-O 3.57Å; T379-V400 PolarHBondContact N-O 2.84Å; T379-V400 PolarHBondContact O-N 3.31Å; V400-P406 HydrophobicContact CB-CB 3.8Å; V400-P406 HydrophobicContact CG1-CB 3.64Å; V400-P406 HydrophobicContact CG2-CB 4.37Å; V400-V407 VanDerWaalsContact CG2-O 3.3Å; V400-V407 WeakPolarHBondContact CG2-O 3.33Å; V400-F408 HydrophobicContact CB-CE1 4.16Å; V400-F408 HydrophobicContact CG2-CD1 3.53Å; V400-F408 HydrophobicContact CG2-CE1 3.65Å; V400-F408 HydrophobicContact CG2-CG 4.45Å |
| 401 | R | 94.9 | Very high | 95 | Very high | 163 Ų | 163 | 78 Ų | 78 | 62% | 0.615 | 38% | 0.382 | S | S | * | . | trans | -90.5 | 148.8 | -170.5 | -63.5 | -161.8 | 174.3 | 84.9 | 0 | 113.8 | D378 V399 S403 | D378-R401 HydrophobicContact CB-CG 4.38Å; D378-R401 VanDerWaalsContact OD1-CA 3.26Å; D378-R401 WeakPolarHBondContact OD1-CA 3.19Å; D378-R401 WeakPolarHBondContact OD1-CB 3.4Å; D378-R401 WeakPolarHBondContact OD2-CD 3.48Å; D378-R401 VanDerWaalsContact OD2-CG 3.27Å; D378-R401 WeakPolarHBondContact OD2-CG 3.3Å; D378-R401 IonicContact OD2-NE 2.76Å; D378-R401 PolarHBondContact OD2-NE 3.02Å; V399-R401 HydrophobicContact CG1-CG 4.32Å; R401-S403 VanDerWaalsContact C-N 3.33Å; R401-S403 PolarHBondContact O-N 3.16Å | ||
| 402 | R | 90.7 | Very high | 95.3 | Very high | 201 Ų | 201 | 72 Ų | 72 | 76% | 0.758 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 51.3 | 37.4 | 171.8 | -55.8 | -176.1 | 176.7 | 171 | -2.2 | 116 | L377 D378 | L377-R402 CarbonylContact O-C 3.56Å; L377-R402 VanDerWaalsContact O-CA 3.26Å; L377-R402 WeakPolarHBondContact O-CA 3.49Å; L377-R402 PolarHBondContact O-N 3.22Å; D378-R402 PolarHBondContact OD1-N 2.7Å |
| 403 | S | 88.8 | Confident | 95.6 | Very high | 33 Ų | 33 | 69.9 Ų | 69.9 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | trans | -125.7 | 145.5 | 179.9 | -168.3 | 0 | 0 | 0 | 0 | 113.3 | L377 R401 S405 | L377-S403 PolarHBondContact O-N 2.93Å; R401-S403 VanDerWaalsContact C-N 3.33Å; R401-S403 PolarHBondContact O-N 3.16Å; S403-S405 PolarHBondContact OG-N 3.06Å; S403-S405 PolarHBondContact OG-O 2.91Å | ||
| 404 | L | 86.9 | Confident | 95.8 | Very high | 74 Ų | 74 | 69.6 Ų | 69.6 | 39% | 0.387 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -99.2 | -5.8 | 165.4 | -58.4 | -177.9 | 0 | 0 | 0 | 112.5 | L369 P371 L377 | L369-L404 HydrophobicContact CB-CB 4.5Å; L369-L404 VanDerWaalsContact CB-O 3.28Å; L369-L404 WeakPolarHBondContact CB-O 3.49Å; L369-L404 VanDerWaalsContact CG-O 3.28Å; L369-L404 WeakPolarHBondContact CG-O 3.43Å; L369-L404 PolarHBondContact N-O 3.23Å; P371-L404 HydrophobicContact CB-CD2 4.18Å; P371-L404 HydrophobicContact CG-CD2 4.18Å; L377-L404 HydrophobicContact CB-CD2 4.46Å; L377-L404 HydrophobicContact CD1-CD2 3.69Å; L377-L404 HydrophobicContact CG-CD2 3.8Å |
| 405 | S | 91.3 | Very high | 95.8 | Very high | 61 Ų | 61 | 71.7 Ų | 71.7 | 43% | 0.427 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -130.4 | 73.8 | 168.6 | -55.5 | 0 | 0 | 0 | 0 | 109 | A366 S403 | A366-S405 CarbonylContact O-C 3.54Å; A366-S405 WeakPolarHBondContact O-CA 3.41Å; S403-S405 PolarHBondContact OG-N 3.06Å; S403-S405 PolarHBondContact OG-O 2.91Å |
| 406 | P | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | trans | -77.5 | 122.7 | -175.6 | 30.4 | -36.2 | 0 | 0 | 0 | 112 | E365 A366 L369 T379 V400 F408 | E365-P406 CarbonylContact C-O 3.54Å; E365-P406 WeakPolarHBondContact CA-O 3.18Å; E365-P406 WeakPolarHBondContact CB-O 3.16Å; A366-P406 HydrophobicContact CB-CG 4Å; A366-P406 PolarHBondContact N-O 2.97Å; A366-P406 WeakPolarHBondContact O-CD 3.29Å; L369-P406 VanDerWaalsContact CD1-CD 3.46Å; L369-P406 HydrophobicContact CD1-CG 3.69Å; T379-P406 HydrophobicContact CG2-CG 4.4Å; T379-P406 WeakPolarHBondContact OG1-CB 3.19Å; T379-P406 VanDerWaalsContact OG1-CG 3.24Å; T379-P406 WeakPolarHBondContact OG1-CG 3.33Å; V400-P406 HydrophobicContact CB-CB 3.8Å; V400-P406 HydrophobicContact CG1-CB 3.64Å; V400-P406 HydrophobicContact CG2-CB 4.37Å; P406-F408 HydrophobicContact CB-CE1 4.13Å; P406-F408 HydrophobicContact CB-CE2 4.12Å; P406-F408 HydrophobicContact CB-CZ 3.68Å; P406-F408 HydrophobicContact CG-CE1 4.48Å; P406-F408 HydrophobicContact CG-CE2 3.82Å; P406-F408 HydrophobicContact CG-CZ 3.56Å; P406-F408 WeakPolarHBondContact O-CE2 3.29Å | ||
| 407 | V | 97.9 | Very high | 95.4 | Very high | 75 Ų | 75 | 68.9 Ų | 68.9 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 121.9 | 170.9 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | E365 V400 N409 | E365-V407 HydrophobicContact CB-CB 4.42Å; E365-V407 HydrophobicContact CB-CG2 4.13Å; V400-V407 VanDerWaalsContact CG2-O 3.3Å; V400-V407 WeakPolarHBondContact CG2-O 3.33Å; V407-N409 HydrophobicContact CG1-CB 4.42Å; V407-N409 WeakPolarHBondContact CG1-ND2 3.41Å |
| 408 | F | 97.9 | Very high | 95.1 | Very high | 21 Ų | 21 | 69.3 Ų | 69.3 | 9% | 0.092 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -40.9 | -178.3 | -59.5 | -71 | 0 | 0 | 0 | 112.7 | V363 K364 A366 V381 T397 V400 P406 H410 L431 | V363-F408 HydrophobicContact CG1-CB 4.08Å; V363-F408 HydrophobicContact CG1-CD2 3.83Å; V363-F408 HydrophobicContact CG1-CG 4.18Å; K364-F408 PolarHBondContact O-N 3.12Å; A366-F408 HydrophobicContact CB-CE2 4.16Å; V381-F408 HydrophobicContact CG2-CD2 4.13Å; V381-F408 HydrophobicContact CG2-CE1 4.47Å; V381-F408 HydrophobicContact CG2-CE2 3.75Å; V381-F408 HydrophobicContact CG2-CZ 3.95Å; T397-F408 HydrophobicContact CG2-CB 4.09Å; T397-F408 HydrophobicContact CG2-CD1 4.09Å; T397-F408 HydrophobicContact CG2-CG 4.17Å; T397-F408 WeakPolarHBondContact OG1-CD1 3.39Å; V400-F408 HydrophobicContact CB-CE1 4.16Å; V400-F408 HydrophobicContact CG2-CD1 3.53Å; V400-F408 HydrophobicContact CG2-CE1 3.65Å; V400-F408 HydrophobicContact CG2-CG 4.45Å; P406-F408 HydrophobicContact CB-CE1 4.13Å; P406-F408 HydrophobicContact CB-CE2 4.12Å; P406-F408 HydrophobicContact CB-CZ 3.68Å; P406-F408 HydrophobicContact CG-CE1 4.48Å; P406-F408 HydrophobicContact CG-CE2 3.82Å; P406-F408 HydrophobicContact CG-CZ 3.56Å; P406-F408 WeakPolarHBondContact O-CE2 3.29Å; F408-H410 VanDerWaalsContact C-N 3.29Å; F408-H410 PolarHBondContact O-N 2.91Å; F408-L431 HydrophobicContact CE2-CD1 4.11Å; F408-L431 HydrophobicContact CZ-CD1 3.68Å |
| 409 | N | 96.8 | Very high | 94.7 | Very high | 103 Ų | 103 | 62.4 Ų | 62.4 | 55% | 0.551 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 36.7 | 56 | -175.3 | -73.8 | -16.1 | 0 | 0 | 0 | 113.5 | V363 K364 V407 | V363-N409 WeakPolarHBondContact O-CA 3.32Å; V363-N409 PolarHBondContact O-N 3.24Å; V363-N409 VanDerWaalsContact O-N 3.09Å; K364-N409 PolarHBondContact O-N 3.3Å; K364-N409 PolarHBondContact O-OD1 3.27Å; V407-N409 HydrophobicContact CG1-CB 4.42Å; V407-N409 WeakPolarHBondContact CG1-ND2 3.41Å |
| 410 | H | 98.1 | Very high | 94.4 | Very high | 60 Ų | 60 | 63.6 Ų | 63.6 | 28% | 0.278 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 124.2 | -170.4 | 177.4 | 73.5 | 0 | 0 | 0 | 111.5 | V363 T397 F408 | V363-H410 PolarHBondContact N-O 3.4Å; V363-H410 PolarHBondContact O-N 3.27Å; T397-H410 HydrophobicContact CG2-CB 4.14Å; F408-H410 VanDerWaalsContact C-N 3.29Å; F408-H410 PolarHBondContact O-N 2.91Å |
| 411 | T | 98.1 | Very high | 94.3 | Very high | 63 Ų | 63 | 64.3 Ų | 64.3 | 39% | 0.387 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125.8 | 177.1 | -47.4 | 0 | 0 | 0 | 0 | 110.8 | F361 V413 W482 | F361-T411 CarbonylContact O-C 3.56Å; F361-T411 VanDerWaalsContact O-CA 3.3Å; F361-T411 WeakPolarHBondContact O-CA 3.39Å; T411-V413 HydrophobicContact CG2-CG2 4.07Å; T411-W482 HydrophobicContact CG2-CH2 4.17Å |
| 412 | M | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 139.3 | 167.8 | -58.1 | -177.7 | -163.7 | 0 | 0 | 108.4 | F361 V363 C383 Q395 T397 Y414 | F361-M412 HydrophobicContact CB-CB 4.34Å; F361-M412 PolarHBondContact N-O 3.39Å; F361-M412 PolarHBondContact O-N 3.37Å; V363-M412 HydrophobicContact CG2-CE 4.35Å; C383-M412 HydrophobicContact CB-SD 3.41Å; C383-M412 WeakPolarHBondContact CB-SD 3.41Å; Q395-M412 HydrophobicContact CB-CB 4.16Å; Q395-M412 HydrophobicContact CB-CG 3.94Å; Q395-M412 HydrophobicContact CB-SD 3.54Å; Q395-M412 VanDerWaalsContact CB-SD 3.54Å; Q395-M412 VanDerWaalsContact OE1-CB 3.3Å; T397-M412 HydrophobicContact CG2-CE 3.6Å; M412-Y414 HydrophobicContact CB-CE2 4.3Å |
| 413 | V | 97.4 | Very high | 94.5 | Very high | 53 Ų | 53 | 53.4 Ų | 53.4 | 32% | 0.321 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 129.4 | -177 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | E358 L359 Q395 T411 | E358-V413 HydrophobicContact CB-CG1 4.18Å; E358-V413 HydrophobicContact CG-CG1 4.41Å; L359-V413 WeakPolarHBondContact O-CA 3.35Å; Q395-V413 PolarHBondContact NE2-O 2.79Å; T411-V413 HydrophobicContact CG2-CG2 4.07Å |
| 414 | Y | 97 | Very high | 94.8 | Very high | 14 Ų | 14 | 54.9 Ų | 54.9 | 6% | 0.055 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 120.7 | -178 | -77.6 | -97.6 | 0 | 0 | 0 | 109.5 | E358 L359 F361 C383 V385 S393 Q395 M412 | E358-Y414 CarbonylContact C-O 3.58Å; E358-Y414 WeakPolarHBondContact CA-O 3.49Å; L359-Y414 PolarHBondContact N-O 2.99Å; L359-Y414 PolarHBondContact O-N 2.99Å; F361-Y414 AromaticContact CD2-CD2 3.79Å; F361-Y414 HydrophobicContact CD2-CD2 3.79Å; F361-Y414 HydrophobicContact CD2-CE2 4.09Å; F361-Y414 AromaticContact CE2-CD2 3.51Å; F361-Y414 HydrophobicContact CE2-CD2 3.51Å; F361-Y414 AromaticContact CE2-CE2 3.95Å; F361-Y414 HydrophobicContact CE2-CE2 3.95Å; F361-Y414 HydrophobicContact CE2-CG 4.32Å; C383-Y414 HydrophobicContact CB-CE2 4.34Å; C383-Y414 PolarHBondContact O-OH 3.41Å; V385-Y414 HydrophobicContact CB-CD1 4.23Å; V385-Y414 HydrophobicContact CB-CE1 4.37Å; V385-Y414 HydrophobicContact CG2-CD1 3.66Å; V385-Y414 HydrophobicContact CG2-CD2 3.96Å; V385-Y414 HydrophobicContact CG2-CE1 3.81Å; V385-Y414 HydrophobicContact CG2-CE2 4.09Å; V385-Y414 HydrophobicContact CG2-CG 3.73Å; S393-Y414 WeakPolarHBondContact O-CE1 3.16Å; S393-Y414 VanDerWaalsContact O-CZ 3.3Å; S393-Y414 PolarHBondContact O-OH 2.92Å; Q395-Y414 HydrophobicContact CB-CE2 4.28Å; Q395-Y414 HydrophobicContact CG-CE2 4.1Å; Q395-Y414 PolarHBondContact N-OH 3Å; M412-Y414 HydrophobicContact CB-CE2 4.3Å |
| 415 | D | 95.3 | Very high | 95.3 | Very high | 119 Ų | 119 | 51.4 Ų | 51.4 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | trans | -96.1 | 172.4 | -178.8 | 61.1 | -18.6 | 0 | 0 | 0 | 112.6 | F417 | D415-F417 WeakPolarHBondContact O-CD2 3.49Å; D415-F417 VanDerWaalsContact O-CE2 3.27Å; D415-F417 WeakPolarHBondContact O-CE2 3.39Å | ||
| 416 | G | 93.8 | Very high | 95.6 | Very high | 54 Ų | 54 | 48.5 Ų | 48.5 | 56% | 0.557 | 28% | 0.28 | S | S | * | . | trans | 87 | 2.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | S356 G357 | S356-G416 WeakPolarHBondContact OG-CA 3.42Å; S356-G416 PolarHBondContact OG-N 3.41Å; G357-G416 PolarHBondContact O-N 3.38Å | ||
| 417 | F | 93.3 | Very high | 95.7 | Very high | 37 Ų | 37 | 48.5 Ų | 48.5 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | trans | -91.6 | 121.3 | -171.8 | -72.6 | -89.1 | 0 | 0 | 0 | 113.6 | Y343 G357 V385 D415 D421 L422 A425 | Y343-F417 HydrophobicContact CE2-CB 4.34Å; Y343-F417 WeakPolarHBondContact CE2-O 3.41Å; Y343-F417 PolarHBondContact OH-O 3.47Å; G357-F417 VanDerWaalsContact CA-O 3.28Å; G357-F417 WeakPolarHBondContact CA-O 3.47Å; G357-F417 PolarHBondContact O-N 2.76Å; V385-F417 HydrophobicContact CB-CZ 3.98Å; V385-F417 HydrophobicContact CG1-CE1 3.58Å; V385-F417 HydrophobicContact CG1-CE2 4.42Å; V385-F417 HydrophobicContact CG1-CZ 3.48Å; V385-F417 VanDerWaalsContact CG1-CZ 3.48Å; D415-F417 WeakPolarHBondContact O-CD2 3.49Å; D415-F417 VanDerWaalsContact O-CE2 3.27Å; D415-F417 WeakPolarHBondContact O-CE2 3.39Å; F417-D421 HydrophobicContact CD1-CB 4.13Å; F417-L422 HydrophobicContact CB-CD2 4.08Å; F417-L422 HydrophobicContact CD1-CD2 4.14Å; F417-L422 HydrophobicContact CG-CD2 4.3Å; F417-A425 HydrophobicContact CE1-CB 4.28Å | ||
| 418 | G | 92.8 | Very high | 95.7 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 22% | 0.216 | 26% | 0.261 | C | S | . | . | trans | -82.2 | 160.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A420 D421 L422 | G418-A420 PolarHBondContact O-N 3.2Å; G418-A420 VanDerWaalsContact O-N 3.09Å; G418-D421 WeakPolarHBondContact CA-OD2 3.04Å; G418-D421 PolarHBondContact N-OD2 3.1Å; G418-D421 WeakPolarHBondContact O-CB 3.28Å; G418-D421 PolarHBondContact O-N 3.05Å; G418-L422 PolarHBondContact O-N 3.25Å | ||
| 419 | P | 89.2 | Confident | 95.7 | Very high | 78 Ų | 78 | 44.5 Ų | 44.5 | 51% | 0.506 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.2 | 175.8 | -22.1 | 33.2 | 0 | 0 | 0 | 114.4 | Y343 | Y343-P419 HydrophobicContact CE1-CG 4.19Å; Y343-P419 WeakPolarHBondContact OH-CD 3.45Å |
| 420 | A | 91.7 | Very high | 95.7 | Very high | 69 Ų | 69 | 39.6 Ų | 39.6 | 57% | 0.57 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -39.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G418 L422 R423 | G418-A420 PolarHBondContact O-N 3.2Å; G418-A420 VanDerWaalsContact O-N 3.09Å; A420-L422 PolarHBondContact O-N 3.39Å; A420-R423 WeakPolarHBondContact O-CB 3.24Å; A420-R423 PolarHBondContact O-N 2.98Å; A420-R423 VanDerWaalsContact O-N 3.09Å |
| 421 | D | 94.4 | Very high | 95.7 | Very high | 51 Ų | 51 | 36.7 Ų | 36.7 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -64.3 | -39.1 | -180 | -60.3 | -71 | 0 | 0 | 0 | 111.9 | F417 G418 R423 Q424 A425 Y455 | F417-D421 HydrophobicContact CD1-CB 4.13Å; G418-D421 WeakPolarHBondContact CA-OD2 3.04Å; G418-D421 PolarHBondContact N-OD2 3.1Å; G418-D421 WeakPolarHBondContact O-CB 3.28Å; G418-D421 PolarHBondContact O-N 3.05Å; D421-R423 PolarHBondContact O-N 3.4Å; D421-Q424 CarbonylContact O-C 3.5Å; D421-Q424 WeakPolarHBondContact O-CA 3.49Å; D421-Q424 PolarHBondContact O-N 3.31Å; D421-A425 WeakPolarHBondContact O-CB 3.46Å; D421-A425 PolarHBondContact O-N 2.94Å; D421-Y455 VanDerWaalsContact CB-OH 3.31Å; D421-Y455 WeakPolarHBondContact CB-OH 3.42Å; D421-Y455 PolarHBondContact OD1-OH 2.99Å |
| 422 | L | 94.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -62.1 | -14.5 | 174.9 | -58.8 | 179 | 0 | 0 | 0 | 114.1 | Y343 L359 F417 G418 A420 W472 L476 | Y343-L422 HydrophobicContact CD1-CD1 3.64Å; Y343-L422 HydrophobicContact CD2-CD1 3.59Å; Y343-L422 HydrophobicContact CE1-CD1 3.82Å; Y343-L422 HydrophobicContact CE2-CD1 3.76Å; Y343-L422 HydrophobicContact CE2-CG 4.48Å; Y343-L422 HydrophobicContact CG-CD1 3.51Å; L359-L422 HydrophobicContact CD2-CD2 4Å; F417-L422 HydrophobicContact CB-CD2 4.08Å; F417-L422 HydrophobicContact CD1-CD2 4.14Å; F417-L422 HydrophobicContact CG-CD2 4.3Å; G418-L422 PolarHBondContact O-N 3.25Å; A420-L422 PolarHBondContact O-N 3.39Å; L422-W472 HydrophobicContact CB-CZ2 4.31Å; L422-W472 HydrophobicContact CD2-CH2 4.34Å; L422-W472 HydrophobicContact CD2-CZ2 4.17Å; L422-W472 PolarHBondContact O-NE1 3.4Å; L422-L476 HydrophobicContact CB-CD2 3.61Å; L422-L476 HydrophobicContact CD1-CD2 3.86Å; L422-L476 HydrophobicContact CG-CD2 4.43Å |
| 423 | R | 94.9 | Very high | 95.4 | Very high | 135 Ų | 135 | 36.8 Ų | 36.8 | 51% | 0.509 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -87.5 | -10.6 | 172.3 | -56.6 | -178.4 | -179.5 | -86.3 | -3.9 | 112.9 | A420 D421 L449 | A420-R423 WeakPolarHBondContact O-CB 3.24Å; A420-R423 PolarHBondContact O-N 2.98Å; A420-R423 VanDerWaalsContact O-N 3.09Å; D421-R423 PolarHBondContact O-N 3.4Å; R423-L449 HydrophobicContact CB-CD1 3.93Å; R423-L449 HydrophobicContact CG-CD1 4.11Å |
| 424 | Q | 95.8 | Very high | 95.2 | Very high | 64 Ų | 64 | 37.8 Ų | 37.8 | 30% | 0.299 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -14.9 | -178.1 | -59.5 | -62.2 | -36.2 | 0 | 0 | 112.8 | D421 S454 Y455 M462 | D421-Q424 CarbonylContact O-C 3.5Å; D421-Q424 WeakPolarHBondContact O-CA 3.49Å; D421-Q424 PolarHBondContact O-N 3.31Å; Q424-S454 WeakPolarHBondContact O-CB 3.44Å; Q424-S454 PolarHBondContact O-OG 2.74Å; Q424-Y455 HydrophobicContact CB-CD1 4.22Å; Q424-Y455 HydrophobicContact CB-CD2 3.84Å; Q424-Y455 HydrophobicContact CB-CE1 4.05Å; Q424-Y455 HydrophobicContact CB-CE2 3.62Å; Q424-Y455 HydrophobicContact CB-CG 4.13Å; Q424-Y455 HydrophobicContact CG-CD1 4.41Å; Q424-Y455 HydrophobicContact CG-CE1 4.41Å; Q424-M462 VanDerWaalsContact C-CE 3.4Å; Q424-M462 WeakPolarHBondContact O-CE 3.46Å |
| 425 | A | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | trans | -86.6 | 158.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V385 L386 F417 D421 S448 M462 | V385-A425 HydrophobicContact CG1-CB 4.05Å; L386-A425 CarbonylContact O-C 3.48Å; L386-A425 VanDerWaalsContact O-CA 3.23Å; L386-A425 WeakPolarHBondContact O-CA 3.38Å; F417-A425 HydrophobicContact CE1-CB 4.28Å; D421-A425 WeakPolarHBondContact O-CB 3.46Å; D421-A425 PolarHBondContact O-N 2.94Å; A425-S448 WeakPolarHBondContact O-CB 3.46Å; A425-M462 WeakPolarHBondContact O-CE 3.47Å | ||
| 426 | C | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 118.4 | 173.1 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | L386 L447 W461 M462 | L386-C426 HydrophobicContact CB-CB 4.28Å; L386-C426 VanDerWaalsContact CB-O 3.29Å; L386-C426 WeakPolarHBondContact CB-O 3.19Å; L386-C426 PolarHBondContact N-O 3.33Å; L386-C426 PolarHBondContact O-N 3.34Å; C426-L447 CarbonylContact C-O 3.38Å; C426-L447 WeakPolarHBondContact CA-O 3.49Å; C426-W461 HydrophobicContact CB-CE3 3.65Å; C426-W461 HydrophobicContact CB-CZ3 3.6Å; C426-W461 PolarHBondContact SG-O 2.89Å; C426-W461 VanDerWaalsContact SG-O 3.34Å; C426-M462 HydrophobicContact CB-CE 4.26Å; C426-M462 HydrophobicContact CB-SD 4.15Å |
| 427 | A | 98.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 116.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | F361 F384 V385 L429 R446 L447 W472 | F361-A427 HydrophobicContact CE1-CB 3.36Å; F361-A427 HydrophobicContact CZ-CB 3.36Å; F384-A427 CarbonylContact O-C 3.44Å; F384-A427 WeakPolarHBondContact O-CA 3.46Å; V385-A427 HydrophobicContact CG2-CB 4.34Å; A427-L429 HydrophobicContact CB-CD1 4.24Å; A427-R446 WeakPolarHBondContact O-CA 3.44Å; A427-L447 HydrophobicContact CB-CB 4.24Å; A427-L447 HydrophobicContact CB-CD1 4.46Å; A427-L447 PolarHBondContact N-O 2.8Å; A427-L447 PolarHBondContact O-N 2.77Å; A427-W472 HydrophobicContact CB-CH2 4.3Å; A427-W472 HydrophobicContact CB-CZ3 4.02Å |
| 428 | E | 98.1 | Very high | 92.6 | Very high | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 106.9 | -180 | -171.3 | -170.3 | 111 | 0 | 0 | 110.3 | C383 F384 L386 T445 R446 R496 | C383-E428 WeakPolarHBondContact CA-O 3.44Å; F384-E428 PolarHBondContact N-O 2.96Å; F384-E428 VanDerWaalsContact N-O 3.15Å; F384-E428 PolarHBondContact O-N 3.47Å; L386-E428 HydrophobicContact CD1-CB 4.33Å; E428-T445 WeakPolarHBondContact CA-O 3.21Å; E428-R446 HydrophobicContact CB-CG 3.96Å; E428-R446 HydrophobicContact CG-CG 3.8Å; E428-R446 IonicContact OE2-CZ 2.99Å; E428-R446 VanDerWaalsContact OE2-CZ 3.27Å; E428-R446 IonicContact OE2-NE 3.44Å; E428-R446 PolarHBondContact OE2-NE 2.91Å; E428-R446 IonicContact OE2-NH2 3.74Å; E428-R446 PolarHBondContact OE2-NH2 2.87Å; E428-R496 IonicContact OE1-CZ 3.75Å; E428-R496 IonicContact OE1-NE 3.23Å; E428-R496 IonicContact OE1-NH2 3.38Å; E428-R496 PolarHBondContact OE1-NH2 2.96Å; E428-R496 IonicContact OE2-CZ 3.46Å; E428-R496 IonicContact OE2-NE 2.84Å; E428-R496 PolarHBondContact OE2-NE 3.47Å; E428-R496 IonicContact OE2-NH2 3.23Å; E428-R496 PolarHBondContact OE2-NH2 2.99Å |
| 429 | L | 98.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 114.3 | 174.5 | -72.1 | 80.2 | 0 | 0 | 0 | 109.2 | L337 L339 F361 V363 V381 C383 A427 G444 T445 L447 | L337-L429 HydrophobicContact CD2-CB 4.1Å; L337-L429 HydrophobicContact CD2-CD2 4.17Å; L339-L429 HydrophobicContact CD1-CD2 4.34Å; F361-L429 HydrophobicContact CD1-CD1 4.02Å; F361-L429 HydrophobicContact CE1-CD1 4.1Å; V363-L429 HydrophobicContact CG2-CD2 4.05Å; V381-L429 HydrophobicContact CG1-CB 4.31Å; V381-L429 HydrophobicContact CG1-CD2 4.48Å; C383-L429 HydrophobicContact CB-CG 4.4Å; A427-L429 HydrophobicContact CB-CD1 4.24Å; L429-G444 CarbonylContact O-C 3.59Å; L429-G444 WeakPolarHBondContact O-CA 3.29Å; L429-T445 HydrophobicContact CB-CG2 3.97Å; L429-T445 PolarHBondContact N-O 3Å; L429-T445 PolarHBondContact O-N 3.41Å; L429-L447 HydrophobicContact CD1-CD1 3.7Å; L429-L447 HydrophobicContact CD1-CG 4.43Å |
| 430 | S | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.4 | -177.1 | 53.4 | 0 | 0 | 0 | 0 | 111.3 | V381 Q382 W432 G443 | V381-S430 CarbonylContact C-O 3.42Å; V381-S430 WeakPolarHBondContact CA-O 3.37Å; Q382-S430 PolarHBondContact N-O 2.89Å; Q382-S430 PolarHBondContact NE2-OG 2.88Å; Q382-S430 PolarHBondContact O-N 3.37Å; Q382-S430 PolarHBondContact O-OG 3.33Å; S430-W432 PolarHBondContact OG-NE1 3.21Å; S430-G443 WeakPolarHBondContact CA-O 3.43Å |
| 431 | L | 97.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 136.2 | 175.4 | -174.9 | 75.5 | 0 | 0 | 0 | 110 | A366 L369 V381 F408 Q441 L442 G443 L489 | A366-L431 HydrophobicContact CB-CD2 4.34Å; L369-L431 HydrophobicContact CD1-CD2 3.82Å; L369-L431 HydrophobicContact CD2-CD2 3.46Å; L369-L431 VanDerWaalsContact CD2-CD2 3.46Å; L369-L431 HydrophobicContact CG-CD2 4.32Å; V381-L431 HydrophobicContact CG2-CD1 3.48Å; V381-L431 VanDerWaalsContact CG2-CD1 3.48Å; F408-L431 HydrophobicContact CE2-CD1 4.11Å; F408-L431 HydrophobicContact CZ-CD1 3.68Å; L431-Q441 WeakPolarHBondContact O-CG 3.33Å; L431-L442 HydrophobicContact CB-CB 4.49Å; L431-L442 HydrophobicContact CD2-CB 4.17Å; L431-L442 HydrophobicContact CD2-CD1 3.8Å; L431-L442 HydrophobicContact CG-CB 4.37Å; L431-L442 HydrophobicContact CG-CD1 4.03Å; L431-L442 PolarHBondContact O-N 2.89Å; L431-G443 PolarHBondContact N-O 2.92Å; L431-G443 PolarHBondContact O-N 3.17Å; L431-L489 HydrophobicContact CB-CD1 4.39Å; L431-L489 HydrophobicContact CB-CD2 3.79Å; L431-L489 HydrophobicContact CD2-CD1 3.59Å |
| 432 | W | 95.9 | Very high | 92.3 | Very high | 51 Ų | 51 | 46 Ų | 46 | 19% | 0.193 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 139.6 | -174.9 | -66.8 | 76.5 | 0 | 0 | 0 | 112.4 | T379 Y380 S430 N439 R440 Q441 | T379-W432 CarbonylContact C-O 3.54Å; T379-W432 VanDerWaalsContact CA-O 3.22Å; T379-W432 WeakPolarHBondContact CA-O 3.4Å; Y380-W432 HydrophobicContact CD1-CB 4.19Å; Y380-W432 HydrophobicContact CD2-CB 4.13Å; Y380-W432 HydrophobicContact CD2-CG 4.46Å; Y380-W432 HydrophobicContact CE1-CB 3.66Å; Y380-W432 HydrophobicContact CE1-CG 4.44Å; Y380-W432 HydrophobicContact CE2-CB 3.54Å; Y380-W432 AromaticContact CE2-CD1 3.65Å; Y380-W432 HydrophobicContact CE2-CD2 4.44Å; Y380-W432 AromaticContact CE2-CG 3.59Å; Y380-W432 HydrophobicContact CE2-CG 3.59Å; Y380-W432 HydrophobicContact CG-CB 4.4Å; Y380-W432 AromaticContact CZ-CG 3.58Å; Y380-W432 PolarHBondContact N-O 2.93Å; Y380-W432 PolarHBondContact O-N 2.92Å; Y380-W432 WeakPolarHBondContact OH-CB 3.42Å; S430-W432 PolarHBondContact OG-NE1 3.21Å; W432-N439 HydrophobicContact CE3-CB 3.88Å; W432-N439 HydrophobicContact CZ3-CB 4.39Å; W432-R440 WeakPolarHBondContact CA-O 3.39Å; W432-Q441 HydrophobicContact CD2-CB 4.04Å; W432-Q441 HydrophobicContact CD2-CG 4.45Å; W432-Q441 HydrophobicContact CE3-CB 4.06Å; W432-Q441 VanDerWaalsContact CE3-N 3.34Å; W432-Q441 HydrophobicContact CH2-CB 4Å; W432-Q441 HydrophobicContact CZ2-CB 3.98Å; W432-Q441 HydrophobicContact CZ2-CG 4.25Å; W432-Q441 HydrophobicContact CZ3-CB 4.05Å |
| 433 | D | 93.9 | Very high | 92.3 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 7% | 0.07 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 121.7 | 164.4 | 178.7 | 40.2 | 0 | 0 | 0 | 109.6 | R373 L377 D378 G435 N439 R440 L442 | R373-D433 IonicContact NH2-OD2 2.64Å; L377-D433 HydrophobicContact CD2-CB 4.22Å; D378-D433 PolarHBondContact N-OD1 2.75Å; D433-G435 PolarHBondContact O-N 3.28Å; D433-N439 CarbonylContact O-C 3.44Å; D433-N439 VanDerWaalsContact O-CA 3.25Å; D433-N439 WeakPolarHBondContact O-CA 3.41Å; D433-R440 PolarHBondContact N-O 3.44Å; D433-R440 PolarHBondContact O-N 3.24Å; D433-L442 HydrophobicContact CB-CD1 4.12Å; D433-L442 HydrophobicContact CB-CD2 4.32Å; D433-L442 HydrophobicContact CB-CG 4.11Å |
| 434 | H | 92.9 | Very high | 92.4 | Very high | 74 Ų | 74 | 39.7 Ų | 39.7 | 34% | 0.343 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 74.4 | -179.2 | -178.7 | 53 | 0 | 0 | 0 | 110.9 | D378 Y380 V399 N439 | D378-H434 HydrophobicContact CB-CB 4.27Å; D378-H434 WeakPolarHBondContact O-CA 3.07Å; D378-H434 WeakPolarHBondContact O-CB 2.94Å; D378-H434 PolarHBondContact O-N 3.09Å; Y380-H434 HydrophobicContact CD1-CB 4.2Å; Y380-H434 HydrophobicContact CE1-CB 4.18Å; V399-H434 HydrophobicContact CG1-CB 4.07Å; H434-N439 PolarHBondContact ND1-OD1 2.88Å |
| 435 | G | 84.4 | Confident | 92.5 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 13% | 0.134 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 140 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | D433 L437 A438 | D433-G435 PolarHBondContact O-N 3.28Å; G435-L437 PolarHBondContact O-N 3.4Å; G435-A438 CarbonylContact C-O 3.48Å; G435-A438 VanDerWaalsContact CA-O 3.27Å; G435-A438 WeakPolarHBondContact CA-O 3.42Å; G435-A438 PolarHBondContact N-O 3.05Å; G435-A438 CarbonylContact O-C 3.56Å; G435-A438 PolarHBondContact O-N 3.29Å |
| 436 | A | 79.3 | Confident | 92.5 | Very high | 112 Ų | 112 | 36.9 Ų | 36.9 | 93% | 0.926 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -13.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 437 | L | 78.2 | Confident | 92.5 | Very high | 183 Ų | 183 | 36.9 Ų | 36.9 | 96% | 0.958 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | -23.6 | 174.7 | -63.4 | 176.1 | 0 | 0 | 0 | 113.2 | G435 | G435-L437 PolarHBondContact O-N 3.4Š|
| 438 | A | 84 | Confident | 92.5 | Very high | 68 Ų | 68 | 36.9 Ų | 36.9 | 56% | 0.562 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -169.1 | 140.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110 | G435 | G435-A438 CarbonylContact C-O 3.48Å; G435-A438 VanDerWaalsContact CA-O 3.27Å; G435-A438 WeakPolarHBondContact CA-O 3.42Å; G435-A438 PolarHBondContact N-O 3.05Å; G435-A438 CarbonylContact O-C 3.56Å; G435-A438 PolarHBondContact O-N 3.29Å |
| 439 | N | 90.4 | Very high | 92.4 | Very high | 67 Ų | 67 | 38 Ų | 38 | 36% | 0.358 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 141.4 | 164.3 | -52.4 | -56.3 | 0 | 0 | 0 | 109.1 | W432 D433 H434 | W432-N439 HydrophobicContact CE3-CB 3.88Å; W432-N439 HydrophobicContact CZ3-CB 4.39Å; D433-N439 CarbonylContact O-C 3.44Å; D433-N439 VanDerWaalsContact O-CA 3.25Å; D433-N439 WeakPolarHBondContact O-CA 3.41Å; H434-N439 PolarHBondContact ND1-OD1 2.88Å |
| 440 | R | 89.9 | Confident | 92.3 | Very high | 99 Ų | 99 | 38.6 Ų | 38.6 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 131.3 | 172 | -173.5 | 150.7 | 59.7 | 138.3 | -0.3 | 110.9 | L372 W432 D433 L442 | L372-R440 HydrophobicContact CD1-CB 4.23Å; L372-R440 HydrophobicContact CD1-CG 3.77Å; W432-R440 WeakPolarHBondContact CA-O 3.39Å; D433-R440 PolarHBondContact N-O 3.44Å; D433-R440 PolarHBondContact O-N 3.24Å; R440-L442 PolarHBondContact O-N 2.89Å |
| 441 | Q | 91.7 | Very high | 92.2 | Very high | 69 Ų | 69 | 42 Ų | 42 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 133.3 | 176.8 | -168.4 | 169.4 | -9.3 | 0 | 0 | 109.7 | L431 W432 G443 | L431-Q441 WeakPolarHBondContact O-CG 3.33Å; W432-Q441 HydrophobicContact CD2-CB 4.04Å; W432-Q441 HydrophobicContact CD2-CG 4.45Å; W432-Q441 HydrophobicContact CE3-CB 4.06Å; W432-Q441 VanDerWaalsContact CE3-N 3.34Å; W432-Q441 HydrophobicContact CH2-CB 4Å; W432-Q441 HydrophobicContact CZ2-CB 3.98Å; W432-Q441 HydrophobicContact CZ2-CG 4.25Å; W432-Q441 HydrophobicContact CZ3-CB 4.05Å; Q441-G443 WeakPolarHBondContact CG-O 3.39Å; Q441-G443 PolarHBondContact NE2-O 3.48Å; Q441-G443 VanDerWaalsContact NE2-O 3.07Å |
| 442 | L | 90.3 | Very high | 92 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -32.5 | 173.1 | -70.7 | 164.4 | 0 | 0 | 0 | 110.7 | R334 L372 L377 T379 L431 D433 R440 | R334-L442 WeakPolarHBondContact CD-O 3.48Å; L372-L442 HydrophobicContact CD1-CD2 3.62Å; L372-L442 HydrophobicContact CD1-CG 4.46Å; L372-L442 HydrophobicContact CG-CD2 3.98Å; L377-L442 HydrophobicContact CD1-CD1 3.91Å; L377-L442 HydrophobicContact CD1-CD2 4.24Å; L377-L442 HydrophobicContact CD2-CD2 4.24Å; T379-L442 HydrophobicContact CG2-CD1 3.92Å; L431-L442 HydrophobicContact CB-CB 4.49Å; L431-L442 HydrophobicContact CD2-CB 4.17Å; L431-L442 HydrophobicContact CD2-CD1 3.8Å; L431-L442 HydrophobicContact CG-CB 4.37Å; L431-L442 HydrophobicContact CG-CD1 4.03Å; L431-L442 PolarHBondContact O-N 2.89Å; D433-L442 HydrophobicContact CB-CD1 4.12Å; D433-L442 HydrophobicContact CB-CD2 4.32Å; D433-L442 HydrophobicContact CB-CG 4.11Å; R440-L442 PolarHBondContact O-N 2.89Å |
| 443 | G | 93.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.3 | -161.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S430 L431 Q441 R490 | S430-G443 WeakPolarHBondContact CA-O 3.43Å; L431-G443 PolarHBondContact N-O 2.92Å; L431-G443 PolarHBondContact O-N 3.17Å; Q441-G443 WeakPolarHBondContact CG-O 3.39Å; Q441-G443 PolarHBondContact NE2-O 3.48Å; Q441-G443 VanDerWaalsContact NE2-O 3.07Å; G443-R490 CarbonylContact C-O 3.57Å; G443-R490 WeakPolarHBondContact CA-O 3.49Å |
| 444 | G | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.4 | -178.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L429 R490 | L429-G444 CarbonylContact O-C 3.59Å; L429-G444 WeakPolarHBondContact O-CA 3.29Å; G444-R490 PolarHBondContact N-O 3.28Å; G444-R490 WeakPolarHBondContact O-CA 3.37Å; G444-R490 WeakPolarHBondContact O-CB 3.2Å; G444-R490 PolarHBondContact O-N 3.3Å |
| 445 | T | 97.7 | Very high | 92 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 150.6 | 179.1 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | L337 E428 L429 E468 | L337-T445 HydrophobicContact CD2-CG2 3.99Å; E428-T445 WeakPolarHBondContact CA-O 3.21Å; L429-T445 HydrophobicContact CB-CG2 3.97Å; L429-T445 PolarHBondContact N-O 3Å; L429-T445 PolarHBondContact O-N 3.41Å; T445-E468 WeakPolarHBondContact CA-OE1 3.38Å; T445-E468 VanDerWaalsContact CB-OE1 3.31Å; T445-E468 WeakPolarHBondContact CB-OE1 3.17Å; T445-E468 WeakPolarHBondContact OG1-CG 3.16Å; T445-E468 PolarHBondContact OG1-OE1 2.86Å |
| 446 | R | 97.8 | Very high | 92.3 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.019 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 115 | 179.1 | -88.5 | 177.6 | -178.4 | 154 | 4.3 | 111 | A427 E428 W461 D463 S464 E468 L493 A494 | A427-R446 WeakPolarHBondContact O-CA 3.44Å; E428-R446 HydrophobicContact CB-CG 3.96Å; E428-R446 HydrophobicContact CG-CG 3.8Å; E428-R446 IonicContact OE2-CZ 2.99Å; E428-R446 VanDerWaalsContact OE2-CZ 3.27Å; E428-R446 IonicContact OE2-NE 3.44Å; E428-R446 PolarHBondContact OE2-NE 2.91Å; E428-R446 IonicContact OE2-NH2 3.74Å; E428-R446 PolarHBondContact OE2-NH2 2.87Å; R446-W461 WeakPolarHBondContact CD-O 3.49Å; R446-D463 WeakPolarHBondContact CD-OD1 3.38Å; R446-D463 IonicContact CZ-OD1 3.4Å; R446-D463 IonicContact NE-OD1 2.62Å; R446-D463 IonicContact NH1-OD1 3.53Å; R446-D463 PolarHBondContact NH1-OD1 3.19Å; R446-D463 IonicContact NH1-OD2 2.78Å; R446-S464 WeakPolarHBondContact O-CB 3.26Å; R446-S464 PolarHBondContact O-OG 3.33Å; R446-E468 PolarHBondContact N-OE1 3.49Å; R446-E468 WeakPolarHBondContact O-CB 3.37Å; R446-L493 HydrophobicContact CB-CD2 4.29Å; R446-L493 HydrophobicContact CG-CD2 3.79Å; R446-A494 VanDerWaalsContact CZ-O 3.25Å; R446-A494 PolarHBondContact NH1-O 2.84Å; R446-A494 PolarHBondContact NH2-O 2.95Å |
| 447 | L | 98.2 | Very high | 93 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 110.3 | -175.7 | -52.1 | 168.7 | 0 | 0 | 0 | 109.2 | L339 L341 F361 C426 A427 L429 L471 W472 L487 | L339-L447 HydrophobicContact CD1-CD1 4.06Å; L341-L447 HydrophobicContact CD1-CD1 3.89Å; L341-L447 HydrophobicContact CD2-CD1 3.81Å; L341-L447 HydrophobicContact CG-CD1 4.41Å; F361-L447 HydrophobicContact CD1-CD1 4.4Å; F361-L447 HydrophobicContact CE1-CD1 4.14Å; C426-L447 CarbonylContact C-O 3.38Å; C426-L447 WeakPolarHBondContact CA-O 3.49Å; A427-L447 HydrophobicContact CB-CB 4.24Å; A427-L447 HydrophobicContact CB-CD1 4.46Å; A427-L447 PolarHBondContact N-O 2.8Å; A427-L447 PolarHBondContact O-N 2.77Å; L429-L447 HydrophobicContact CD1-CD1 3.7Å; L429-L447 HydrophobicContact CD1-CG 4.43Å; L447-L471 HydrophobicContact CD2-CD2 3.98Å; L447-W472 HydrophobicContact CB-CD2 4.29Å; L447-W472 HydrophobicContact CB-CE3 3.53Å; L447-W472 HydrophobicContact CB-CZ3 4Å; L447-L487 HydrophobicContact CD2-CD1 3.37Å |
| 448 | S | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -165.2 | 175.1 | 179.5 | 75.9 | 0 | 0 | 0 | 0 | 110.4 | A425 G450 M462 S464 W472 | A425-S448 WeakPolarHBondContact O-CB 3.46Å; S448-G450 PolarHBondContact O-N 3.41Å; S448-G450 WeakPolarHBondContact OG-CA 3.17Å; S448-G450 PolarHBondContact OG-N 3.12Å; S448-M462 VanDerWaalsContact CB-SD 3.56Å; S448-M462 PolarHBondContact OG-SD 3.36Å; S448-S464 PolarHBondContact N-OG 3.09Å; S448-S464 PolarHBondContact OG-OG 3.06Å; S448-W472 VanDerWaalsContact C-CD1 3.44Å |
| 449 | L | 96.8 | Very high | 94.4 | Very high | 37 Ų | 37 | 45.9 Ų | 45.9 | 19% | 0.194 | 26% | 0.257 | C | S | . | . | trans | -69.3 | -6.1 | 167.1 | -64.6 | 179.9 | 0 | 0 | 0 | 113.3 | R423 T451 K469 Q473 L476 | R423-L449 HydrophobicContact CB-CD1 3.93Å; R423-L449 HydrophobicContact CG-CD1 4.11Å; L449-T451 HydrophobicContact CB-CG2 3.95Å; L449-T451 PolarHBondContact O-N 3.31Å; L449-K469 WeakPolarHBondContact O-CE 3.3Å; L449-Q473 HydrophobicContact CD2-CG 3.77Å; L449-L476 HydrophobicContact CD1-CD1 4.32Å; L449-L476 HydrophobicContact CD2-CD1 3.93Å; L449-L476 HydrophobicContact CG-CD1 4.29Å | ||
| 450 | G | 94.7 | Very high | 94.6 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 12% | 0.124 | 26% | 0.256 | C | S | . | . | trans | 45.4 | 54.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S448 G452 M462 K469 | S448-G450 PolarHBondContact O-N 3.41Å; S448-G450 WeakPolarHBondContact OG-CA 3.17Å; S448-G450 PolarHBondContact OG-N 3.12Å; G450-G452 VanDerWaalsContact C-N 3.33Å; G450-M462 CarbonylContact C-O 3.6Å; G450-M462 VanDerWaalsContact C-O 3.26Å; G450-M462 WeakPolarHBondContact CA-O 3.41Å; G450-K469 WeakPolarHBondContact O-CE 3.48Å; G450-K469 PolarHBondContact O-NZ 3.19Å | ||
| 451 | T | 94.7 | Very high | 94.8 | Very high | 70 Ų | 70 | 41.6 Ų | 41.6 | 43% | 0.429 | 24% | 0.242 | S | C | . | . | trans | -83.9 | 0.3 | -176.3 | 45.7 | 0 | 0 | 0 | 0 | 113.8 | L449 S453 | L449-T451 HydrophobicContact CB-CG2 3.95Å; L449-T451 PolarHBondContact O-N 3.31Å; T451-S453 PolarHBondContact O-N 3Å; T451-S453 PolarHBondContact O-OG 3.13Å; T451-S453 PolarHBondContact OG1-N 3.43Å; T451-S453 PolarHBondContact OG1-O 3.15Å | ||
| 452 | G | 93.9 | Very high | 95 | Very high | 32 Ų | 32 | 38.5 Ų | 38.5 | 33% | 0.33 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 58.8 | 10.6 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G450 Q458 V459 M462 | G450-G452 VanDerWaalsContact C-N 3.33Å; G452-Q458 WeakPolarHBondContact O-CA 3.32Å; G452-V459 CarbonylContact C-O 3.26Å; G452-V459 PolarHBondContact O-N 3.49Å; G452-M462 PolarHBondContact N-O 3.12Å |
| 453 | S | 94.3 | Very high | 95.2 | Very high | 42 Ų | 42 | 40.3 Ų | 40.3 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 141.6 | -169.7 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | T451 L457 | T451-S453 PolarHBondContact O-N 3Å; T451-S453 PolarHBondContact O-OG 3.13Å; T451-S453 PolarHBondContact OG1-N 3.43Å; T451-S453 PolarHBondContact OG1-O 3.15Å; S453-L457 CarbonylContact C-O 3.51Å; S453-L457 WeakPolarHBondContact CA-O 3.36Å; S453-L457 VanDerWaalsContact CB-O 3.29Å; S453-L457 WeakPolarHBondContact CB-O 3.37Å |
| 454 | S | 95.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.028 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 132.6 | -176.8 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | Q424 G456 L457 W461 | Q424-S454 WeakPolarHBondContact O-CB 3.44Å; Q424-S454 PolarHBondContact O-OG 2.74Å; S454-G456 PolarHBondContact O-N 2.74Å; S454-L457 PolarHBondContact N-O 3.28Å; S454-L457 PolarHBondContact O-N 3Å; S454-W461 VanDerWaalsContact CB-CH2 3.41Å; S454-W461 VanDerWaalsContact OG-CH2 3.25Å; S454-W461 WeakPolarHBondContact OG-CH2 3.16Å |
| 455 | Y | 93.8 | Very high | 95.4 | Very high | 113 Ų | 113 | 41.8 Ų | 41.8 | 44% | 0.443 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 36 | -177.4 | -66.6 | -83.2 | 0 | 0 | 0 | 114 | P387 D421 Q424 | P387-Y455 HydrophobicContact CG-CD2 3.95Å; P387-Y455 HydrophobicContact CG-CE2 3.88Å; D421-Y455 VanDerWaalsContact CB-OH 3.31Å; D421-Y455 WeakPolarHBondContact CB-OH 3.42Å; D421-Y455 PolarHBondContact OD1-OH 2.99Å; Q424-Y455 HydrophobicContact CB-CD1 4.22Å; Q424-Y455 HydrophobicContact CB-CD2 3.84Å; Q424-Y455 HydrophobicContact CB-CE1 4.05Å; Q424-Y455 HydrophobicContact CB-CE2 3.62Å; Q424-Y455 HydrophobicContact CB-CG 4.13Å; Q424-Y455 HydrophobicContact CG-CD1 4.41Å; Q424-Y455 HydrophobicContact CG-CE1 4.41Å |
| 456 | G | 91.1 | Very high | 95.3 | Very high | 75 Ų | 75 | 46.2 Ų | 46.2 | 77% | 0.773 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | S454 | S454-G456 PolarHBondContact O-N 2.74Š|
| 457 | L | 93.7 | Very high | 95.3 | Very high | 123 Ų | 123 | 50.6 Ų | 50.6 | 64% | 0.644 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 145.3 | 175 | -58 | 178 | 0 | 0 | 0 | 110.3 | S453 S454 V459 | S453-L457 CarbonylContact C-O 3.51Å; S453-L457 WeakPolarHBondContact CA-O 3.36Å; S453-L457 VanDerWaalsContact CB-O 3.29Å; S453-L457 WeakPolarHBondContact CB-O 3.37Å; S454-L457 PolarHBondContact N-O 3.28Å; S454-L457 PolarHBondContact O-N 3Å; L457-V459 HydrophobicContact CB-CG1 4.43Å |
| 458 | Q | 95.5 | Very high | 95.2 | Very high | 185 Ų | 185 | 50.6 Ų | 50.6 | 86% | 0.864 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 135.3 | 164.2 | -75.2 | -169.1 | 47.1 | 0 | 0 | 109.2 | G452 | G452-Q458 WeakPolarHBondContact O-CA 3.32Å |
| 459 | V | 95.5 | Very high | 95.3 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 13% | 0.133 | 31% | 0.308 | C | S | . | . | trans | -138.9 | 134.3 | -178.4 | -63.1 | 0 | 0 | 0 | 0 | 111.2 | G452 L457 W461 M462 | G452-V459 CarbonylContact C-O 3.26Å; G452-V459 PolarHBondContact O-N 3.49Å; L457-V459 HydrophobicContact CB-CG1 4.43Å; V459-W461 HydrophobicContact CB-CD2 4.03Å; V459-W461 HydrophobicContact CB-CG 4.29Å; V459-W461 HydrophobicContact CB-CZ2 4.08Å; V459-W461 HydrophobicContact CG1-CZ2 3.91Å; V459-W461 HydrophobicContact CG2-CD2 3.79Å; V459-W461 HydrophobicContact CG2-CE3 3.99Å; V459-W461 HydrophobicContact CG2-CG 4.38Å; V459-W461 HydrophobicContact CG2-CH2 4.16Å; V459-W461 HydrophobicContact CG2-CZ2 3.93Å; V459-W461 HydrophobicContact CG2-CZ3 4.17Å; V459-W461 PolarHBondContact O-N 2.9Å; V459-M462 HydrophobicContact CG2-CB 3.87Å; V459-M462 HydrophobicContact CG2-CG 3.5Å; V459-M462 VanDerWaalsContact CG2-CG 3.5Å; V459-M462 PolarHBondContact O-N 2.97Å | ||
| 460 | P | 94.3 | Very high | 95.3 | Very high | 55 Ų | 55 | 58.2 Ų | 58.2 | 36% | 0.357 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -24.8 | -179.1 | 26.5 | -35.1 | 0 | 0 | 0 | 113.1 | M462 A494 P495 | P460-M462 VanDerWaalsContact C-N 3.31Å; P460-M462 PolarHBondContact O-N 3.07Å; P460-A494 HydrophobicContact CB-CB 4.21Å; P460-A494 VanDerWaalsContact O-CB 3.23Å; P460-A494 WeakPolarHBondContact O-CB 3.44Å; P460-P495 WeakPolarHBondContact CG-O 3.39Å |
| 461 | W | 94.2 | Very high | 95.5 | Very high | 21 Ų | 21 | 58.1 Ų | 58.1 | 8% | 0.08 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 6.8 | -175.5 | 52.3 | -101.4 | 0 | 0 | 0 | 115.3 | L386 P387 C426 R446 S454 V459 D463 | L386-W461 HydrophobicContact CB-CD2 4.18Å; L386-W461 HydrophobicContact CB-CE3 3.73Å; L386-W461 HydrophobicContact CB-CH2 3.78Å; L386-W461 HydrophobicContact CB-CZ2 4.24Å; L386-W461 HydrophobicContact CB-CZ3 3.52Å; L386-W461 HydrophobicContact CD1-CB 4Å; L386-W461 HydrophobicContact CD1-CD2 3.8Å; L386-W461 HydrophobicContact CD1-CE3 3.76Å; L386-W461 HydrophobicContact CD1-CG 3.95Å; L386-W461 HydrophobicContact CD1-CZ3 4.44Å; L386-W461 HydrophobicContact CG-CE3 4.4Å; P387-W461 HydrophobicContact CB-CH2 3.99Å; P387-W461 HydrophobicContact CB-CZ2 3.95Å; C426-W461 HydrophobicContact CB-CE3 3.65Å; C426-W461 HydrophobicContact CB-CZ3 3.6Å; C426-W461 PolarHBondContact SG-O 2.89Å; C426-W461 VanDerWaalsContact SG-O 3.34Å; R446-W461 WeakPolarHBondContact CD-O 3.49Å; S454-W461 VanDerWaalsContact CB-CH2 3.41Å; S454-W461 VanDerWaalsContact OG-CH2 3.25Å; S454-W461 WeakPolarHBondContact OG-CH2 3.16Å; V459-W461 HydrophobicContact CB-CD2 4.03Å; V459-W461 HydrophobicContact CB-CG 4.29Å; V459-W461 HydrophobicContact CB-CZ2 4.08Å; V459-W461 HydrophobicContact CG1-CZ2 3.91Å; V459-W461 HydrophobicContact CG2-CD2 3.79Å; V459-W461 HydrophobicContact CG2-CE3 3.99Å; V459-W461 HydrophobicContact CG2-CG 4.38Å; V459-W461 HydrophobicContact CG2-CH2 4.16Å; V459-W461 HydrophobicContact CG2-CZ2 3.93Å; V459-W461 HydrophobicContact CG2-CZ3 4.17Å; V459-W461 PolarHBondContact O-N 2.9Å; W461-D463 PolarHBondContact O-N 3.49Å |
| 462 | M | 95.9 | Very high | 95.7 | Very high | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | trans | -91.9 | 45.5 | 166.9 | -84.1 | -76.1 | -167.3 | 0 | 0 | 110.7 | Q424 A425 C426 S448 G450 G452 V459 P460 | Q424-M462 VanDerWaalsContact C-CE 3.4Å; Q424-M462 WeakPolarHBondContact O-CE 3.46Å; A425-M462 WeakPolarHBondContact O-CE 3.47Å; C426-M462 HydrophobicContact CB-CE 4.26Å; C426-M462 HydrophobicContact CB-SD 4.15Å; S448-M462 VanDerWaalsContact CB-SD 3.56Å; S448-M462 PolarHBondContact OG-SD 3.36Å; G450-M462 CarbonylContact C-O 3.6Å; G450-M462 VanDerWaalsContact C-O 3.26Å; G450-M462 WeakPolarHBondContact CA-O 3.41Å; G452-M462 PolarHBondContact N-O 3.12Å; V459-M462 HydrophobicContact CG2-CB 3.87Å; V459-M462 HydrophobicContact CG2-CG 3.5Å; V459-M462 VanDerWaalsContact CG2-CG 3.5Å; V459-M462 PolarHBondContact O-N 2.97Å; P460-M462 VanDerWaalsContact C-N 3.31Å; P460-M462 PolarHBondContact O-N 3.07Å | ||
| 463 | D | 95.3 | Very high | 95.8 | Very high | 42 Ų | 42 | 57.6 Ų | 57.6 | 23% | 0.225 | 31% | 0.31 | C | S | . | . | trans | -97.6 | 23.4 | -172.1 | 67.9 | -60.4 | 0 | 0 | 0 | 114.6 | R446 W461 T465 R490 A494 | R446-D463 WeakPolarHBondContact CD-OD1 3.38Å; R446-D463 IonicContact CZ-OD1 3.4Å; R446-D463 IonicContact NE-OD1 2.62Å; R446-D463 IonicContact NH1-OD1 3.53Å; R446-D463 PolarHBondContact NH1-OD1 3.19Å; R446-D463 IonicContact NH1-OD2 2.78Å; W461-D463 PolarHBondContact O-N 3.49Å; D463-T465 PolarHBondContact O-N 3.27Å; D463-R490 PolarHBondContact O-NH2 3.41Å; D463-R490 IonicContact OD2-CZ 3.07Å; D463-R490 IonicContact OD2-NH1 3.83Å; D463-R490 PolarHBondContact OD2-NH1 2.94Å; D463-R490 IonicContact OD2-NH2 3.88Å; D463-R490 PolarHBondContact OD2-NH2 3.48Å; D463-A494 HydrophobicContact CB-CB 4.38Å | ||
| 464 | S | 97.1 | Very high | 96 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | trans | -57.2 | 132.4 | -176.1 | -60.5 | 0 | 0 | 0 | 0 | 113.4 | R446 S448 E468 K469 | R446-S464 WeakPolarHBondContact O-CB 3.26Å; R446-S464 PolarHBondContact O-OG 3.33Å; S448-S464 PolarHBondContact N-OG 3.09Å; S448-S464 PolarHBondContact OG-OG 3.06Å; S464-E468 VanDerWaalsContact CA-OE2 3.27Å; S464-E468 WeakPolarHBondContact CA-OE2 3.18Å; S464-K469 WeakPolarHBondContact O-CD 3.4Å; S464-K469 WeakPolarHBondContact O-CE 3.3Å; S464-K469 PolarHBondContact O-NZ 3.08Å | ||
| 465 | T | 95.8 | Very high | 96.1 | Very high | 31 Ų | 31 | 56.3 Ų | 56.3 | 19% | 0.19 | 30% | 0.303 | C | S | . | . | trans | -70.2 | 169.3 | 173.7 | 74 | 0 | 0 | 0 | 0 | 111.6 | D463 E467 E468 K469 | D463-T465 PolarHBondContact O-N 3.27Å; T465-E467 VanDerWaalsContact C-N 3.25Å; T465-E467 WeakPolarHBondContact CB-OE2 3.26Å; T465-E467 PolarHBondContact O-N 3.45Å; T465-E467 PolarHBondContact OG1-OE2 3.43Å; T465-E468 PolarHBondContact N-OE2 3.02Å; T465-E468 PolarHBondContact O-N 3.02Å; T465-E468 WeakPolarHBondContact OG1-CG 3.23Å; T465-K469 WeakPolarHBondContact O-CB 3.45Å; T465-K469 VanDerWaalsContact O-CG 3.3Å; T465-K469 WeakPolarHBondContact O-CG 3.16Å; T465-K469 PolarHBondContact O-N 3.45Å | ||
| 466 | P | 97 | Very high | 96.1 | Very high | 93 Ų | 93 | 52.6 Ų | 52.6 | 60% | 0.604 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -56.5 | -37.3 | 179 | -26.5 | 36.9 | 0 | 0 | 0 | 113.8 | K469 Q470 | P466-K469 PolarHBondContact O-N 2.87Å; P466-Q470 WeakPolarHBondContact O-CB 3.46Å; P466-Q470 PolarHBondContact O-N 3.47Å |
| 467 | E | 95.9 | Very high | 96.4 | Very high | 98 Ų | 98 | 56.1 Ų | 56.1 | 46% | 0.458 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -72.4 | -42.9 | -178.9 | -49.1 | 72.3 | -155.6 | 0 | 0 | 110.9 | T465 K469 Q470 L471 L487 | T465-E467 VanDerWaalsContact C-N 3.25Å; T465-E467 WeakPolarHBondContact CB-OE2 3.26Å; T465-E467 PolarHBondContact O-N 3.45Å; T465-E467 PolarHBondContact OG1-OE2 3.43Å; E467-K469 VanDerWaalsContact C-N 3.32Å; E467-K469 PolarHBondContact O-N 2.86Å; E467-Q470 PolarHBondContact O-N 2.83Å; E467-L471 PolarHBondContact O-N 3.39Å; E467-L487 HydrophobicContact CB-CD2 3.78Å |
| 468 | E | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -39 | 173.9 | -65.9 | 177.9 | 144.4 | 0 | 0 | 111.7 | T445 R446 S464 T465 W472 L487 R490 | T445-E468 WeakPolarHBondContact CA-OE1 3.38Å; T445-E468 VanDerWaalsContact CB-OE1 3.31Å; T445-E468 WeakPolarHBondContact CB-OE1 3.17Å; T445-E468 WeakPolarHBondContact OG1-CG 3.16Å; T445-E468 PolarHBondContact OG1-OE1 2.86Å; R446-E468 PolarHBondContact N-OE1 3.49Å; R446-E468 WeakPolarHBondContact O-CB 3.37Å; S464-E468 VanDerWaalsContact CA-OE2 3.27Å; S464-E468 WeakPolarHBondContact CA-OE2 3.18Å; T465-E468 PolarHBondContact N-OE2 3.02Å; T465-E468 PolarHBondContact O-N 3.02Å; T465-E468 WeakPolarHBondContact OG1-CG 3.23Å; E468-W472 PolarHBondContact O-N 2.83Å; E468-L487 HydrophobicContact CG-CD1 4.3Å; E468-L487 HydrophobicContact CG-CD2 4.31Å; E468-R490 IonicContact OE1-CZ 3.34Å; E468-R490 IonicContact OE1-NE 2.68Å; E468-R490 PolarHBondContact OE1-NE 3.17Å; E468-R490 IonicContact OE1-NH2 3.51Å; E468-R490 IonicContact OE2-CZ 3.53Å; E468-R490 IonicContact OE2-NE 3.2Å; E468-R490 PolarHBondContact OE2-NE 2.71Å; E468-R490 IonicContact OE2-NH2 2.91Å; E468-R490 PolarHBondContact OE2-NH2 3.41Å |
| 469 | K | 98.2 | Very high | 96.4 | Very high | 60 Ų | 60 | 49.1 Ų | 49.1 | 26% | 0.261 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.1 | -46.1 | 174.7 | -79.2 | 166 | 169.7 | 155.9 | 0 | 112.3 | L449 G450 S464 T465 P466 E467 L471 W472 Q473 | L449-K469 WeakPolarHBondContact O-CE 3.3Å; G450-K469 WeakPolarHBondContact O-CE 3.48Å; G450-K469 PolarHBondContact O-NZ 3.19Å; S464-K469 WeakPolarHBondContact O-CD 3.4Å; S464-K469 WeakPolarHBondContact O-CE 3.3Å; S464-K469 PolarHBondContact O-NZ 3.08Å; T465-K469 WeakPolarHBondContact O-CB 3.45Å; T465-K469 VanDerWaalsContact O-CG 3.3Å; T465-K469 WeakPolarHBondContact O-CG 3.16Å; T465-K469 PolarHBondContact O-N 3.45Å; P466-K469 PolarHBondContact O-N 2.87Å; E467-K469 VanDerWaalsContact C-N 3.32Å; E467-K469 PolarHBondContact O-N 2.86Å; K469-L471 VanDerWaalsContact C-N 3.32Å; K469-L471 PolarHBondContact O-N 3.02Å; K469-W472 PolarHBondContact O-N 3.23Å; K469-Q473 WeakPolarHBondContact O-CB 3.43Å; K469-Q473 VanDerWaalsContact O-CG 3.29Å; K469-Q473 WeakPolarHBondContact O-CG 3.26Å; K469-Q473 PolarHBondContact O-N 3.45Å |
| 470 | Q | 98 | Very high | 96.4 | Very high | 136 Ų | 136 | 50.6 Ų | 50.6 | 64% | 0.636 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -59.9 | -43.2 | -179.6 | -177.9 | 179.6 | -19.1 | 0 | 0 | 111.4 | P466 E467 W472 Q473 A474 | P466-Q470 WeakPolarHBondContact O-CB 3.46Å; P466-Q470 PolarHBondContact O-N 3.47Å; E467-Q470 PolarHBondContact O-N 2.83Å; Q470-W472 PolarHBondContact O-N 2.91Å; Q470-Q473 PolarHBondContact O-N 2.93Å; Q470-A474 PolarHBondContact O-N 2.61Å |
| 471 | L | 98.1 | Very high | 96.5 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.8 | -173.4 | 64.4 | 0 | 0 | 0 | 112.1 | L339 L341 L447 E467 K469 L475 V483 D484 L487 | L339-L471 HydrophobicContact CD1-CD2 4.26Å; L341-L471 HydrophobicContact CD1-CD2 3.9Å; L341-L471 HydrophobicContact CD1-CG 3.73Å; L341-L471 HydrophobicContact CG-CD2 4.22Å; L341-L471 HydrophobicContact CG-CG 4.3Å; L447-L471 HydrophobicContact CD2-CD2 3.98Å; E467-L471 PolarHBondContact O-N 3.39Å; K469-L471 VanDerWaalsContact C-N 3.32Å; K469-L471 PolarHBondContact O-N 3.02Å; L471-L475 PolarHBondContact O-N 3.22Å; L471-V483 HydrophobicContact CD1-CB 4.31Å; L471-V483 HydrophobicContact CD1-CG1 3.69Å; L471-D484 WeakPolarHBondContact CD1-O 3.48Å; L471-L487 HydrophobicContact CD2-CD1 3.65Å; L471-L487 HydrophobicContact CD2-CG 4.38Å |
| 472 | W | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.5 | -27.5 | 177.7 | -166.8 | -96.9 | 0 | 0 | 0 | 113.5 | L341 L359 F361 L422 A427 L447 S448 E468 K469 Q470 L475 L476 | L341-W472 HydrophobicContact CD1-CE3 4.14Å; L359-W472 HydrophobicContact CD1-CZ3 4.44Å; L359-W472 HydrophobicContact CD2-CH2 3.65Å; L359-W472 HydrophobicContact CD2-CZ3 4.09Å; F361-W472 HydrophobicContact CE1-CZ3 4.48Å; L422-W472 HydrophobicContact CB-CZ2 4.31Å; L422-W472 HydrophobicContact CD2-CH2 4.34Å; L422-W472 HydrophobicContact CD2-CZ2 4.17Å; L422-W472 PolarHBondContact O-NE1 3.4Å; A427-W472 HydrophobicContact CB-CH2 4.3Å; A427-W472 HydrophobicContact CB-CZ3 4.02Å; L447-W472 HydrophobicContact CB-CD2 4.29Å; L447-W472 HydrophobicContact CB-CE3 3.53Å; L447-W472 HydrophobicContact CB-CZ3 4Å; S448-W472 VanDerWaalsContact C-CD1 3.44Å; E468-W472 PolarHBondContact O-N 2.83Å; K469-W472 PolarHBondContact O-N 3.23Å; Q470-W472 PolarHBondContact O-N 2.91Å; W472-L475 HydrophobicContact CD2-CD2 4.02Å; W472-L475 HydrophobicContact CE3-CD2 3.53Å; W472-L475 HydrophobicContact CH2-CD2 4.34Å; W472-L475 HydrophobicContact CZ3-CD2 3.72Å; W472-L476 WeakPolarHBondContact O-CG 3.2Å; W472-L476 PolarHBondContact O-N 3.46Å |
| 473 | Q | 97.7 | Very high | 96.8 | Very high | 90 Ų | 90 | 58.2 Ų | 58.2 | 42% | 0.421 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70.4 | -48.8 | 172.9 | -77.1 | 170.7 | -24.6 | 0 | 0 | 111.1 | L449 K469 Q470 L475 L476 E477 | L449-Q473 HydrophobicContact CD2-CG 3.77Å; K469-Q473 WeakPolarHBondContact O-CB 3.43Å; K469-Q473 VanDerWaalsContact O-CG 3.29Å; K469-Q473 WeakPolarHBondContact O-CG 3.26Å; K469-Q473 PolarHBondContact O-N 3.45Å; Q470-Q473 PolarHBondContact O-N 2.93Å; Q473-L475 VanDerWaalsContact C-N 3.27Å; Q473-L475 PolarHBondContact O-N 2.96Å; Q473-L476 WeakPolarHBondContact O-CA 3.34Å; Q473-L476 WeakPolarHBondContact O-CB 3.39Å; Q473-L476 PolarHBondContact O-N 2.78Å; Q473-E477 WeakPolarHBondContact O-CG 3.41Å; Q473-E477 PolarHBondContact O-N 2.93Å |
| 474 | A | 97.4 | Very high | 96.9 | Very high | 20 Ų | 20 | 61.2 Ų | 61.2 | 17% | 0.165 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.5 | -37.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q470 L476 E477 Q478 V483 | Q470-A474 PolarHBondContact O-N 2.61Å; A474-L476 VanDerWaalsContact C-N 3.27Å; A474-L476 PolarHBondContact O-N 3.4Å; A474-E477 PolarHBondContact O-N 2.86Å; A474-Q478 WeakPolarHBondContact O-CB 3.42Å; A474-Q478 PolarHBondContact O-N 3.48Å; A474-V483 HydrophobicContact CB-CG1 3.62Å; A474-V483 HydrophobicContact CB-CG2 4.31Å |
| 475 | L | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.3 | -35.7 | 170.9 | 171.3 | 67.7 | 0 | 0 | 0 | 113.7 | L341 K342 Y343 L359 L471 W472 Q473 | L341-L475 HydrophobicContact CB-CB 4.49Å; L341-L475 HydrophobicContact CB-CD1 3.84Å; L341-L475 HydrophobicContact CB-CD2 4.17Å; L341-L475 HydrophobicContact CB-CG 4.39Å; L341-L475 HydrophobicContact CD1-CB 4.47Å; L341-L475 HydrophobicContact CD1-CD2 3.93Å; K342-L475 VanDerWaalsContact C-CD1 3.45Å; Y343-L475 VanDerWaalsContact N-CD1 3.28Å; L359-L475 HydrophobicContact CD1-CD1 4.33Å; L359-L475 HydrophobicContact CD1-CD2 3.72Å; L471-L475 PolarHBondContact O-N 3.22Å; W472-L475 HydrophobicContact CD2-CD2 4.02Å; W472-L475 HydrophobicContact CE3-CD2 3.53Å; W472-L475 HydrophobicContact CH2-CD2 4.34Å; W472-L475 HydrophobicContact CZ3-CD2 3.72Å; Q473-L475 VanDerWaalsContact C-N 3.27Å; Q473-L475 PolarHBondContact O-N 2.96Å |
| 476 | L | 95.5 | Very high | 96.9 | Very high | 35 Ų | 35 | 64.5 Ų | 64.5 | 18% | 0.183 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -81.7 | -25.2 | 178.6 | -68.9 | 169.8 | 0 | 0 | 0 | 112.9 | L422 L449 W472 Q473 A474 | L422-L476 HydrophobicContact CB-CD2 3.61Å; L422-L476 HydrophobicContact CD1-CD2 3.86Å; L422-L476 HydrophobicContact CG-CD2 4.43Å; L449-L476 HydrophobicContact CD1-CD1 4.32Å; L449-L476 HydrophobicContact CD2-CD1 3.93Å; L449-L476 HydrophobicContact CG-CD1 4.29Å; W472-L476 WeakPolarHBondContact O-CG 3.2Å; W472-L476 PolarHBondContact O-N 3.46Å; Q473-L476 WeakPolarHBondContact O-CA 3.34Å; Q473-L476 WeakPolarHBondContact O-CB 3.39Å; Q473-L476 PolarHBondContact O-N 2.78Å; A474-L476 VanDerWaalsContact C-N 3.27Å; A474-L476 PolarHBondContact O-N 3.4Å |
| 477 | E | 96.6 | Very high | 96.9 | Very high | 148 Ų | 148 | 60.3 Ų | 60.3 | 69% | 0.692 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -87.7 | -24.6 | 179.6 | -69.3 | 173.6 | -178.8 | 0 | 0 | 112.5 | Q473 A474 P479 | Q473-E477 WeakPolarHBondContact O-CG 3.41Å; Q473-E477 PolarHBondContact O-N 2.93Å; A474-E477 PolarHBondContact O-N 2.86Å; E477-P479 VanDerWaalsContact C-CD 3.42Å; E477-P479 WeakPolarHBondContact O-CD 3.1Å |
| 478 | Q | 95.1 | Very high | 96.9 | Very high | 100 Ų | 100 | 57.2 Ų | 57.2 | 47% | 0.467 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -123.3 | 65.4 | -176.4 | -57.1 | -178.2 | -1.3 | 0 | 0 | 111.4 | A474 E481 V483 | A474-Q478 WeakPolarHBondContact O-CB 3.42Å; A474-Q478 PolarHBondContact O-N 3.48Å; Q478-E481 HydrophobicContact CB-CB 4.25Å; Q478-E481 PolarHBondContact O-N 3.11Å; Q478-V483 HydrophobicContact CB-CG2 4.38Å |
| 479 | P | 94.2 | Very high | 96.7 | Very high | 62 Ų | 62 | 57.2 Ų | 57.2 | 40% | 0.403 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 151.4 | 174.8 | 29 | -35.6 | 0 | 0 | 0 | 111.4 | P345 E477 E481 | P345-P479 HydrophobicContact CG-CB 4.06Å; E477-P479 VanDerWaalsContact C-CD 3.42Å; E477-P479 WeakPolarHBondContact O-CD 3.1Å; P479-E481 PolarHBondContact O-N 3.29Å; P479-E481 VanDerWaalsContact O-N 3.08Å |
| 480 | C | 94.8 | Very high | 96.5 | Very high | 52 Ų | 52 | 55.1 Ų | 55.1 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | -12 | -172.5 | -58.8 | 0 | 0 | 0 | 0 | 116.5 | K342 Y343 | K342-C480 WeakPolarHBondContact CD-O 3.46Å; Y343-C480 PolarHBondContact O-N 3.13Å |
| 481 | E | 96.6 | Very high | 96.1 | Very high | 125 Ų | 125 | 50.8 Ų | 50.8 | 58% | 0.584 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -91.8 | 160.8 | 175.5 | -70.2 | -59.2 | 155.1 | 0 | 0 | 113.1 | K342 Q478 P479 | K342-E481 WeakPolarHBondContact CA-O 3.38Å; K342-E481 WeakPolarHBondContact CB-O 3.44Å; K342-E481 WeakPolarHBondContact CG-O 3.15Å; Q478-E481 HydrophobicContact CB-CB 4.25Å; Q478-E481 PolarHBondContact O-N 3.11Å; P479-E481 PolarHBondContact O-N 3.29Å; P479-E481 VanDerWaalsContact O-N 3.08Å |
| 482 | W | 97.8 | Very high | 95.6 | Very high | 100 Ų | 100 | 55.3 Ų | 55.3 | 38% | 0.379 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -95 | 117.5 | 174 | -74.7 | 106.2 | 0 | 0 | 0 | 111.3 | S340 L341 K342 H360 W362 T411 | S340-W482 VanDerWaalsContact CB-CE3 3.47Å; L341-W482 WeakPolarHBondContact O-CA 3.39Å; K342-W482 HydrophobicContact CB-CD2 3.74Å; K342-W482 HydrophobicContact CB-CE3 3.55Å; K342-W482 HydrophobicContact CB-CG 4.36Å; K342-W482 HydrophobicContact CB-CH2 4.24Å; K342-W482 HydrophobicContact CB-CZ2 4.36Å; K342-W482 HydrophobicContact CB-CZ3 3.82Å; H360-W482 HydrophobicContact CB-CH2 3.7Å; H360-W482 HydrophobicContact CB-CZ3 4Å; W362-W482 HydrophobicContact CB-CH2 3.94Å; W362-W482 HydrophobicContact CB-CZ3 3.76Å; T411-W482 HydrophobicContact CG2-CH2 4.17Å |
| 483 | V | 98 | Very high | 95.2 | Very high | 16 Ų | 16 | 56.8 Ų | 56.8 | 10% | 0.097 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 119.6 | 175.5 | -169 | 0 | 0 | 0 | 0 | 109.8 | S340 L341 L471 A474 Q478 | S340-V483 CarbonylContact C-O 3.48Å; S340-V483 VanDerWaalsContact CA-O 3.25Å; S340-V483 WeakPolarHBondContact CA-O 3.09Å; L341-V483 PolarHBondContact N-O 2.9Å; L341-V483 PolarHBondContact O-N 2.85Å; L471-V483 HydrophobicContact CD1-CB 4.31Å; L471-V483 HydrophobicContact CD1-CG1 3.69Å; A474-V483 HydrophobicContact CB-CG1 3.62Å; A474-V483 HydrophobicContact CB-CG2 4.31Å; Q478-V483 HydrophobicContact CB-CG2 4.38Å |
| 484 | D | 97.9 | Very high | 94.8 | Very high | 105 Ų | 105 | 53.7 Ų | 53.7 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 140.7 | -178.8 | -96.4 | 21.4 | 0 | 0 | 0 | 113 | S340 K364 L471 | S340-D484 WeakPolarHBondContact CB-OD1 3.39Å; S340-D484 PolarHBondContact OG-OD1 3.18Å; K364-D484 IonicContact NZ-OD1 2.82Å; K364-D484 PolarHBondContact NZ-OD1 3.48Å; K364-D484 IonicContact NZ-OD2 2.77Å; K364-D484 PolarHBondContact NZ-OD2 2.86Å; L471-D484 WeakPolarHBondContact CD1-O 3.48Å |
| 485 | G | 96 | Very high | 94.3 | Very high | 15 Ų | 15 | 57 Ų | 57 | 16% | 0.155 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 146 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | A338 L339 | A338-G485 WeakPolarHBondContact CA-O 3.21Å; L339-G485 PolarHBondContact N-O 3.37Å; L339-G485 PolarHBondContact O-N 3.29Å |
| 486 | L | 97.2 | Very high | 93.8 | Very high | 89 Ų | 89 | 60 Ų | 60 | 47% | 0.466 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 104 | 173.5 | -178.3 | 67.3 | 0 | 0 | 0 | 108 | L336 L337 A338 | L336-L486 HydrophobicContact CB-CD1 3.69Å; L336-L486 HydrophobicContact CB-CG 4.15Å; L336-L486 HydrophobicContact CD1-CD1 4.25Å; L336-L486 HydrophobicContact CD1-CD2 3.94Å; L336-L486 HydrophobicContact CD1-CG 4.04Å; L337-L486 WeakPolarHBondContact O-CA 3.47Å; A338-L486 HydrophobicContact CB-CD1 3.84Å |
| 487 | L | 97.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.021 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 147.5 | -165.2 | -67.6 | 175.6 | 0 | 0 | 0 | 113 | L336 L337 L447 E467 E468 L471 | L336-L487 CarbonylContact C-O 3.59Å; L336-L487 WeakPolarHBondContact CA-O 3.25Å; L337-L487 PolarHBondContact N-O 2.6Å; L337-L487 PolarHBondContact O-N 3.06Å; L447-L487 HydrophobicContact CD2-CD1 3.37Å; E467-L487 HydrophobicContact CB-CD2 3.78Å; E468-L487 HydrophobicContact CG-CD1 4.3Å; E468-L487 HydrophobicContact CG-CD2 4.31Å; L471-L487 HydrophobicContact CD2-CD1 3.65Å; L471-L487 HydrophobicContact CD2-CG 4.38Å |
| 488 | P | 95 | Very high | 92.2 | Very high | 33 Ų | 33 | 62.5 Ų | 62.5 | 21% | 0.214 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 133.3 | 177.6 | 27.5 | -33.9 | 0 | 0 | 0 | 111.9 | S333 R490 | S333-P488 WeakPolarHBondContact OG-CB 3.48Å; P488-R490 VanDerWaalsContact C-N 3.31Å; P488-R490 HydrophobicContact CG-CG 4.34Å; P488-R490 PolarHBondContact O-N 2.62Å |
| 489 | L | 95.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 82.3 | 170 | -74.9 | 164.6 | 0 | 0 | 0 | 109.8 | S333 R334 G335 L337 A366 L369 L431 | S333-L489 WeakPolarHBondContact CA-O 3.35Å; S333-L489 PolarHBondContact OG-N 2.84Å; S333-L489 PolarHBondContact OG-O 2.64Å; R334-L489 PolarHBondContact N-O 2.71Å; R334-L489 VanDerWaalsContact N-O 3.13Å; G335-L489 PolarHBondContact O-N 2.99Å; L337-L489 HydrophobicContact CB-CD1 4.48Å; L337-L489 HydrophobicContact CB-CD2 3.96Å; L337-L489 HydrophobicContact CB-CG 4.07Å; L337-L489 HydrophobicContact CD2-CD2 4.41Å; A366-L489 HydrophobicContact CB-CD1 4.25Å; L369-L489 HydrophobicContact CD2-CD1 3.55Å; L431-L489 HydrophobicContact CB-CD1 4.39Å; L431-L489 HydrophobicContact CB-CD2 3.79Å; L431-L489 HydrophobicContact CD2-CD1 3.59Å |
| 490 | R | 93.6 | Very high | 92 | Very high | 15 Ų | 15 | 60.4 Ų | 60.4 | 6% | 0.057 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 140.3 | -177 | -57.6 | -162.2 | -75.8 | 126.6 | -20.4 | 112.4 | P332 G443 G444 D463 E468 P488 N492 L493 | P332-R490 WeakPolarHBondContact O-CA 3.1Å; G443-R490 CarbonylContact C-O 3.57Å; G443-R490 WeakPolarHBondContact CA-O 3.49Å; G444-R490 PolarHBondContact N-O 3.28Å; G444-R490 WeakPolarHBondContact O-CA 3.37Å; G444-R490 WeakPolarHBondContact O-CB 3.2Å; G444-R490 PolarHBondContact O-N 3.3Å; D463-R490 PolarHBondContact O-NH2 3.41Å; D463-R490 IonicContact OD2-CZ 3.07Å; D463-R490 IonicContact OD2-NH1 3.83Å; D463-R490 PolarHBondContact OD2-NH1 2.94Å; D463-R490 IonicContact OD2-NH2 3.88Å; D463-R490 PolarHBondContact OD2-NH2 3.48Å; E468-R490 IonicContact OE1-CZ 3.34Å; E468-R490 IonicContact OE1-NE 2.68Å; E468-R490 PolarHBondContact OE1-NE 3.17Å; E468-R490 IonicContact OE1-NH2 3.51Å; E468-R490 IonicContact OE2-CZ 3.53Å; E468-R490 IonicContact OE2-NE 3.2Å; E468-R490 PolarHBondContact OE2-NE 2.71Å; E468-R490 IonicContact OE2-NH2 2.91Å; E468-R490 PolarHBondContact OE2-NH2 3.41Å; P488-R490 VanDerWaalsContact C-N 3.31Å; P488-R490 HydrophobicContact CG-CG 4.34Å; P488-R490 PolarHBondContact O-N 2.62Å; R490-N492 PolarHBondContact NH1-OD1 3.11Å; R490-L493 HydrophobicContact CB-CG 4.49Å |
| 491 | T | 89.9 | Confident | 91.8 | Very high | 45 Ų | 45 | 60.9 Ų | 60.9 | 28% | 0.276 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -90.3 | -25.8 | 169 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | L331 P332 R334 L493 | L331-T491 WeakPolarHBondContact O-CB 3.48Å; L331-T491 WeakPolarHBondContact O-CG2 3.38Å; L331-T491 PolarHBondContact O-OG1 3.06Å; P332-T491 PolarHBondContact O-N 2.86Å; R334-T491 HydrophobicContact CG-CG2 4.1Å; T491-L493 VanDerWaalsContact C-N 3.34Å; T491-L493 PolarHBondContact O-N 3.25Å |
| 492 | N | 87 | Confident | 91.5 | Very high | 107 Ų | 107 | 56.9 Ų | 56.9 | 57% | 0.572 | 32% | 0.315 | S | S | * | . | trans | -93.9 | 27.5 | -169.4 | 72.2 | -13.9 | 0 | 0 | 0 | 114.2 | R490 A494 | R490-N492 PolarHBondContact NH1-OD1 3.11Å; N492-A494 PolarHBondContact O-N 2.83Å | ||
| 493 | L | 90.1 | Very high | 91.1 | Very high | 31 Ų | 31 | 54 Ų | 54 | 16% | 0.162 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 126.3 | 173.9 | -72.7 | 165.7 | 0 | 0 | 0 | 109.8 | R446 R490 T491 | R446-L493 HydrophobicContact CB-CD2 4.29Å; R446-L493 HydrophobicContact CG-CD2 3.79Å; R490-L493 HydrophobicContact CB-CG 4.49Å; T491-L493 VanDerWaalsContact C-N 3.34Å; T491-L493 PolarHBondContact O-N 3.25Å |
| 494 | A | 88.4 | Confident | 90.6 | Very high | 24 Ų | 24 | 56.7 Ų | 56.7 | 20% | 0.198 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 143.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R446 P460 D463 N492 | R446-A494 VanDerWaalsContact CZ-O 3.25Å; R446-A494 PolarHBondContact NH1-O 2.84Å; R446-A494 PolarHBondContact NH2-O 2.95Å; P460-A494 HydrophobicContact CB-CB 4.21Å; P460-A494 VanDerWaalsContact O-CB 3.23Å; P460-A494 WeakPolarHBondContact O-CB 3.44Å; D463-A494 HydrophobicContact CB-CB 4.38Å; N492-A494 PolarHBondContact O-N 2.83Å |
| 495 | P | 87.5 | Confident | 90 | Very high | 90 Ų | 90 | 53 Ų | 53 | 58% | 0.584 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -59 | 153.4 | 173.5 | 27.5 | -35 | 0 | 0 | 0 | 110.4 | P460 T497 | P460-P495 WeakPolarHBondContact CG-O 3.39Å; P495-T497 VanDerWaalsContact C-N 3.28Å; P495-T497 PolarHBondContact O-N 3.32Å |
| 496 | R | 84.9 | Confident | 89.5 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 24% | 0.238 | 32% | 0.321 | C | S | . | . | trans | -79.9 | -8.5 | -177.3 | -63.1 | -173.5 | -171.9 | 173.3 | 2.3 | 114.2 | E428 | E428-R496 IonicContact OE1-CZ 3.75Å; E428-R496 IonicContact OE1-NE 3.23Å; E428-R496 IonicContact OE1-NH2 3.38Å; E428-R496 PolarHBondContact OE1-NH2 2.96Å; E428-R496 IonicContact OE2-CZ 3.46Å; E428-R496 IonicContact OE2-NE 2.84Å; E428-R496 PolarHBondContact OE2-NE 3.47Å; E428-R496 IonicContact OE2-NH2 3.23Å; E428-R496 PolarHBondContact OE2-NH2 2.99Å | ||
| 497 | T | 67.8 | Low | 88.8 | Confident | 172 Ų | 172 | 53.2 Ų | 53.2 | 100% | 1.055 | 31% | 0.308 | S | S | * | . | trans | -92.5 | 0 | -174.9 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | P495 | P495-T497 VanDerWaalsContact C-N 3.28Å; P495-T497 PolarHBondContact O-N 3.32Å |
Retrieved 497 of 497 residues in 272.1 ms
(Link to these results)