| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.7 | Very low | 33.3 | Very low | 231 Ų | 231 | 152.6 Ų | 152.6 | 100% | 1.138 | 77% | 0.768 | S | S | * | * | 0 | 91.1 | 0 | -90.3 | 165 | 148.8 | 0 | 0 | 106.6 | |||||
| 2 | M | 33.3 | Very low | 33.3 | Very low | 166 Ų | 166 | 152 Ų | 152 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | 75.5 | 97.1 | 107.8 | -76.8 | 179.9 | 179.7 | 0 | 0 | 109.7 | |||||
| 3 | T | 28.6 | Very low | 33.8 | Very low | 115 Ų | 115 | 151.2 Ų | 151.2 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | 50.8 | 125.8 | 84 | 61.7 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 4 | Q | 34.1 | Very low | 34.1 | Very low | 140 Ų | 140 | 153.1 Ų | 153.1 | 65% | 0.654 | 78% | 0.78 | S | S | * | * | 161.9 | 148.4 | 71.1 | -136.3 | 177.3 | -53.7 | 0 | 0 | 102.5 | |||||
| 5 | E | 36.8 | Very low | 34.1 | Very low | 146 Ų | 146 | 150.6 Ų | 150.6 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | -170.9 | 135.5 | 55.1 | -71.8 | -141.2 | 108.9 | 0 | 0 | 106.4 | |||||
| 6 | Q | 33.4 | Very low | 34.4 | Very low | 145 Ų | 145 | 148.1 Ų | 148.1 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | 57.5 | 133.5 | 82.5 | -82.1 | 172.3 | -59 | 0 | 0 | 112.3 | |||||
| 7 | C | 33.6 | Very low | 34.5 | Very low | 100 Ų | 100 | 150.9 Ų | 150.9 | 68% | 0.676 | 79% | 0.789 | S | S | * | * | cis | -170.3 | 136.7 | 26.9 | -123.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 8 | S | 29.6 | Very low | 34.7 | Very low | 97 Ų | 97 | 152.8 Ų | 152.8 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | 94.3 | 115.6 | 93.1 | 66.3 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 9 | H | 33 | Very low | 34.8 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | -173.6 | 107.8 | 122.6 | -122.1 | -89.1 | 0 | 0 | 0 | 114.5 | |||||
| 10 | R | 32.7 | Very low | 34.9 | Very low | 212 Ų | 212 | 151.8 Ų | 151.8 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | 28.7 | 120.4 | 132.3 | -142.8 | -179.5 | 170.6 | 139 | -5.3 | 121.1 | ||||
| 11 | N | 35 | Very low | 35.3 | Very low | 152 Ų | 152 | 149.6 Ų | 149.6 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | 179.9 | 141.7 | 110.1 | -88.6 | -21.2 | 0 | 0 | 0 | 112.2 | |||||
| 12 | N | 33.4 | Very low | 35.6 | Very low | 145 Ų | 145 | 148.9 Ų | 148.9 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | trans | -111.8 | 121.1 | -174.8 | -168.5 | 15.6 | 0 | 0 | 0 | 108.6 | ||||
| 13 | V | 39 | Very low | 36 | Very low | 142 Ų | 142 | 149.9 Ų | 149.9 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -141.3 | 115.1 | 159.6 | 178.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 14 | Q | 38.5 | Very low | 36.9 | Very low | 178 Ų | 178 | 150.4 Ų | 150.4 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -74.7 | 125 | 167.6 | -102.3 | 167 | -29.9 | 0 | 0 | 109.6 | ||||
| 15 | S | 33.3 | Very low | 37.6 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | -176.5 | 118.6 | 121.7 | -152.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 16 | S | 39.2 | Very low | 38.1 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 43.2 | 98.6 | 143.3 | -172.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 17 | E | 36.3 | Very low | 39.1 | Very low | 196 Ų | 196 | 148.7 Ų | 148.7 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | trans | -156.5 | 143.1 | 133.5 | -116.6 | 175.5 | 168.8 | 0 | 0 | 112 | ||||
| 18 | K | 37.9 | Very low | 40.5 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -65.1 | 156.1 | -167.3 | -70.1 | 167.5 | -180 | 171.2 | 0 | 113.3 | Q20 | K18-Q20 PolarHBondContact O-N 2.83Å; K18-Q20 VanDerWaalsContact O-N 3.1Å | ||
| 19 | P | 37.3 | Very low | 42.1 | Very low | 117 Ų | 117 | 151 Ų | 151 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | -66.2 | 110.5 | 179.3 | 26.5 | -32.8 | 0 | 0 | 0 | 111.4 | V21 | P19-V21 VanDerWaalsContact C-N 3.31Å; P19-V21 PolarHBondContact O-N 3.33Å | ||
| 20 | Q | 37.6 | Very low | 43.7 | Very low | 167 Ų | 167 | 152.8 Ų | 152.8 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | trans | -75.7 | 86.4 | 167 | -70.5 | -78 | -8.5 | 0 | 0 | 108.6 | K18 Y22 | K18-Q20 PolarHBondContact O-N 2.83Å; K18-Q20 VanDerWaalsContact O-N 3.1Å; Q20-Y22 PolarHBondContact O-N 3.45Å; Q20-Y22 VanDerWaalsContact O-N 3.16Å | ||
| 21 | V | 42.2 | Very low | 45.4 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 65% | 0.648 | 75% | 0.746 | S | S | * | * | trans | -62.4 | 110.1 | 160.5 | 176.2 | 0 | 0 | 0 | 0 | 106.7 | P19 K23 | P19-V21 VanDerWaalsContact C-N 3.31Å; P19-V21 PolarHBondContact O-N 3.33Å; V21-K23 HydrophobicContact CG1-CG 4.23Å; V21-K23 PolarHBondContact O-N 3.17Å | ||
| 22 | Y | 42.6 | Very low | 47.5 | Very low | 215 Ų | 215 | 148.7 Ų | 148.7 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | -66.4 | 79.4 | 168.5 | -80.7 | -88.8 | 0 | 0 | 0 | 109.7 | Q20 V24 | Q20-Y22 PolarHBondContact O-N 3.45Å; Q20-Y22 VanDerWaalsContact O-N 3.16Å; Y22-V24 PolarHBondContact O-N 2.92Å | ||
| 23 | K | 42.3 | Very low | 49.5 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | trans | -76.7 | 98.1 | 155.6 | -89.8 | -177.8 | 176.4 | 177.4 | 0 | 106.5 | V21 G25 | V21-K23 HydrophobicContact CG1-CG 4.23Å; V21-K23 PolarHBondContact O-N 3.17Å; K23-G25 PolarHBondContact O-N 3.41Å | ||
| 24 | V | 47.8 | Very low | 51.5 | Low | 126 Ų | 126 | 144 Ų | 144 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | trans | -67.7 | 79 | 163.7 | -174.3 | 0 | 0 | 0 | 0 | 107.7 | Y22 I26 | Y22-V24 PolarHBondContact O-N 2.92Å; V24-I26 PolarHBondContact O-N 3.46Å | ||
| 25 | G | 47.6 | Very low | 53.6 | Low | 63 Ų | 63 | 142.7 Ų | 142.7 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | trans | -87.6 | 91.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | K23 Y27 | K23-G25 PolarHBondContact O-N 3.41Å; G25-Y27 PolarHBondContact O-N 3.27Å; G25-Y27 VanDerWaalsContact O-N 3.16Å | ||
| 26 | I | 49.1 | Very low | 56.1 | Low | 110 Ų | 110 | 143.6 Ų | 143.6 | 56% | 0.564 | 69% | 0.693 | S | S | * | * | trans | -69.4 | 108.1 | 168.2 | -61.1 | 173.5 | 0 | 0 | 0 | 108.3 | V24 K31 | V24-I26 PolarHBondContact O-N 3.46Å; I26-K31 VanDerWaalsContact O-CE 3.31Å; I26-K31 WeakPolarHBondContact O-CE 3.36Å | ||
| 27 | Y | 52.7 | Low | 58.5 | Low | 222 Ų | 222 | 144.3 Ų | 144.3 | 87% | 0.871 | 68% | 0.683 | S | S | * | * | trans | -84.5 | 139.8 | -171.2 | -171.5 | -100.4 | 0 | 0 | 0 | 114 | G25 W29 | G25-Y27 PolarHBondContact O-N 3.27Å; G25-Y27 VanDerWaalsContact O-N 3.16Å; Y27-W29 PolarHBondContact O-N 3.08Å | ||
| 28 | G | 63 | Low | 61 | Low | 36 Ų | 36 | 138.4 Ų | 138.4 | 37% | 0.371 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 99.1 | -75 | 137.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||
| 29 | W | 63.2 | Low | 63.5 | Low | 209 Ų | 209 | 134.1 Ų | 134.1 | 79% | 0.792 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | -35.8 | -162.2 | -124.5 | 55.4 | 0 | 0 | 0 | 114 | Y27 K31 R32 C33 | Y27-W29 PolarHBondContact O-N 3.08Å; W29-K31 VanDerWaalsContact C-N 3.33Å; W29-K31 PolarHBondContact O-N 3.14Å; W29-R32 PolarHBondContact O-N 2.84Å; W29-C33 PolarHBondContact O-N 3.29Å |
| 30 | R | 67.9 | Low | 66 | Low | 213 Ų | 213 | 132.1 Ų | 132.1 | 80% | 0.804 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.3 | -34.3 | 176.2 | -65.4 | -177.2 | -179.3 | -178.6 | 0.1 | 112.5 | C33 L34 | R30-C33 PolarHBondContact O-N 2.79Å; R30-L34 VanDerWaalsContact O-CB 3.31Å; R30-L34 WeakPolarHBondContact O-CB 3.46Å; R30-L34 PolarHBondContact O-N 2.71Å |
| 31 | K | 68.9 | Low | 68.5 | Low | 100 Ų | 100 | 127.9 Ų | 127.9 | 44% | 0.435 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64 | -43.4 | 171.4 | -78.7 | -167.1 | -177.8 | -176.7 | 0 | 112.1 | I26 W29 C33 L34 Y35 | I26-K31 VanDerWaalsContact O-CE 3.31Å; I26-K31 WeakPolarHBondContact O-CE 3.36Å; W29-K31 VanDerWaalsContact C-N 3.33Å; W29-K31 PolarHBondContact O-N 3.14Å; K31-C33 VanDerWaalsContact C-N 3.35Å; K31-L34 PolarHBondContact O-N 2.84Å; K31-Y35 HydrophobicContact CB-CD2 4.21Å; K31-Y35 HydrophobicContact CB-CE2 3.97Å; K31-Y35 HydrophobicContact CD-CE2 4.44Å; K31-Y35 WeakPolarHBondContact O-CB 3.4Å; K31-Y35 WeakPolarHBondContact O-CD2 3.18Å; K31-Y35 PolarHBondContact O-N 3.15Å |
| 32 | R | 77.5 | Confident | 70.9 | Confident | 178 Ų | 178 | 127.7 Ų | 127.7 | 67% | 0.672 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.3 | -38.6 | 178.4 | -68.8 | 178.7 | 179.5 | 161.1 | 0.3 | 111.7 | W29 F36 | W29-R32 PolarHBondContact O-N 2.84Å; R32-F36 WeakPolarHBondContact O-CB 3.43Å; R32-F36 PolarHBondContact O-N 2.6Å |
| 33 | C | 75.3 | Confident | 73.4 | Confident | 85 Ų | 85 | 121.4 Ų | 121.4 | 57% | 0.574 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.3 | -42.8 | 172.3 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | W29 R30 K31 F36 F37 | W29-C33 PolarHBondContact O-N 3.29Å; R30-C33 PolarHBondContact O-N 2.79Å; K31-C33 VanDerWaalsContact C-N 3.35Å; C33-F36 PolarHBondContact O-N 2.7Å; C33-F37 VanDerWaalsContact O-CB 3.29Å; C33-F37 WeakPolarHBondContact O-CB 3.34Å; C33-F37 PolarHBondContact O-N 2.79Å |
| 34 | L | 81.6 | Confident | 75.8 | Confident | 104 Ų | 104 | 116.7 Ų | 116.7 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.4 | -43.8 | 176.4 | -167 | 153.5 | 0 | 0 | 0 | 111.9 | R30 K31 F37 V38 | R30-L34 VanDerWaalsContact O-CB 3.31Å; R30-L34 WeakPolarHBondContact O-CB 3.46Å; R30-L34 PolarHBondContact O-N 2.71Å; K31-L34 PolarHBondContact O-N 2.84Å; L34-F37 PolarHBondContact O-N 3.09Å; L34-V38 HydrophobicContact CD2-CG2 3.86Å; L34-V38 WeakPolarHBondContact O-CB 3.44Å; L34-V38 VanDerWaalsContact O-CG2 3.26Å; L34-V38 WeakPolarHBondContact O-CG2 3.26Å; L34-V38 PolarHBondContact O-N 3.17Å |
| 35 | Y | 82.5 | Confident | 78 | Confident | 150 Ų | 150 | 114.8 Ų | 114.8 | 59% | 0.588 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.9 | -38.4 | 174.8 | -71.4 | -59 | 0 | 0 | 0 | 112.1 | K31 L39 | K31-Y35 HydrophobicContact CB-CD2 4.21Å; K31-Y35 HydrophobicContact CB-CE2 3.97Å; K31-Y35 HydrophobicContact CD-CE2 4.44Å; K31-Y35 WeakPolarHBondContact O-CB 3.4Å; K31-Y35 WeakPolarHBondContact O-CD2 3.18Å; K31-Y35 PolarHBondContact O-N 3.15Å; Y35-L39 WeakPolarHBondContact O-CB 3.43Å; Y35-L39 PolarHBondContact O-N 3.5Å |
| 36 | F | 86.8 | Confident | 80.3 | Confident | 135 Ų | 135 | 116.7 Ų | 116.7 | 59% | 0.592 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.6 | -42.7 | 173.5 | -179.4 | -97.8 | 0 | 0 | 0 | 111.5 | R32 C33 L39 L40 | R32-F36 WeakPolarHBondContact O-CB 3.43Å; R32-F36 PolarHBondContact O-N 2.6Å; C33-F36 PolarHBondContact O-N 2.7Å; F36-L39 PolarHBondContact O-N 3.18Å; F36-L40 HydrophobicContact CE1-CD1 4.14Å; F36-L40 HydrophobicContact CZ-CD1 4.44Å; F36-L40 VanDerWaalsContact O-CB 3.28Å; F36-L40 WeakPolarHBondContact O-CB 3.39Å; F36-L40 PolarHBondContact O-N 3.19Å |
| 37 | F | 88.2 | Confident | 82.5 | Confident | 125 Ų | 125 | 116 Ų | 116 | 55% | 0.548 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 175.9 | -177.4 | -100.3 | 0 | 0 | 0 | 111.8 | C33 L34 L39 L40 L41 | C33-F37 VanDerWaalsContact O-CB 3.29Å; C33-F37 WeakPolarHBondContact O-CB 3.34Å; C33-F37 PolarHBondContact O-N 2.79Å; L34-F37 PolarHBondContact O-N 3.09Å; F37-L39 VanDerWaalsContact C-N 3.34Å; F37-L39 PolarHBondContact O-N 3.35Å; F37-L40 PolarHBondContact O-N 3.46Å; F37-L41 HydrophobicContact CE1-CD1 3.95Å; F37-L41 HydrophobicContact CZ-CD1 4.33Å; F37-L41 VanDerWaalsContact O-CB 3.31Å; F37-L41 WeakPolarHBondContact O-CB 3.35Å; F37-L41 PolarHBondContact O-N 2.97Å |
| 38 | V | 89.2 | Confident | 84.4 | Confident | 72 Ų | 72 | 110 Ų | 110 | 44% | 0.436 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 175 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | L34 L41 M42 | L34-V38 HydrophobicContact CD2-CG2 3.86Å; L34-V38 WeakPolarHBondContact O-CB 3.44Å; L34-V38 VanDerWaalsContact O-CG2 3.26Å; L34-V38 WeakPolarHBondContact O-CG2 3.26Å; L34-V38 PolarHBondContact O-N 3.17Å; V38-L41 PolarHBondContact O-N 3.15Å; V38-M42 WeakPolarHBondContact O-CB 3.48Å; V38-M42 VanDerWaalsContact O-CG 3.32Å; V38-M42 WeakPolarHBondContact O-CG 3.33Å; V38-M42 PolarHBondContact O-N 2.03Å |
| 39 | L | 89.6 | Confident | 85.9 | Confident | 96 Ų | 96 | 112.7 Ų | 112.7 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 176.2 | 180 | 130.8 | 0 | 0 | 0 | 111.7 | Y35 F36 F37 L41 M42 I43 | Y35-L39 WeakPolarHBondContact O-CB 3.43Å; Y35-L39 PolarHBondContact O-N 3.5Å; F36-L39 PolarHBondContact O-N 3.18Å; F37-L39 VanDerWaalsContact C-N 3.34Å; F37-L39 PolarHBondContact O-N 3.35Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 2.83Å; L39-M42 PolarHBondContact O-N 3.24Å; L39-I43 HydrophobicContact CD2-CD1 3.64Å; L39-I43 HydrophobicContact CG-CD1 4.17Å; L39-I43 VanDerWaalsContact O-CG1 3.29Å; L39-I43 WeakPolarHBondContact O-CG1 3Å; L39-I43 PolarHBondContact O-N 2.85Å |
| 40 | L | 90.8 | Very high | 87.3 | Confident | 74 Ų | 74 | 105.6 Ų | 105.6 | 39% | 0.387 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 174.3 | -174.9 | 148.6 | 0 | 0 | 0 | 110.8 | F36 F37 I43 L44 | F36-L40 HydrophobicContact CE1-CD1 4.14Å; F36-L40 HydrophobicContact CZ-CD1 4.44Å; F36-L40 VanDerWaalsContact O-CB 3.28Å; F36-L40 WeakPolarHBondContact O-CB 3.39Å; F36-L40 PolarHBondContact O-N 3.19Å; F37-L40 PolarHBondContact O-N 3.46Å; L40-I43 PolarHBondContact O-N 3.39Å; L40-L44 HydrophobicContact CD2-CD1 3.65Å; L40-L44 HydrophobicContact CD2-CG 4.15Å; L40-L44 WeakPolarHBondContact O-CG 3.26Å; L40-L44 PolarHBondContact O-N 2.9Å |
| 41 | L | 90.5 | Very high | 88.5 | Confident | 78 Ų | 78 | 99.5 Ų | 99.5 | 41% | 0.408 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 176.3 | -153.1 | 162.6 | 0 | 0 | 0 | 111.1 | F37 V38 L39 I43 L44 I45 | F37-L41 HydrophobicContact CE1-CD1 3.95Å; F37-L41 HydrophobicContact CZ-CD1 4.33Å; F37-L41 VanDerWaalsContact O-CB 3.31Å; F37-L41 WeakPolarHBondContact O-CB 3.35Å; F37-L41 PolarHBondContact O-N 2.97Å; V38-L41 PolarHBondContact O-N 3.15Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 2.83Å; L41-I43 PolarHBondContact O-N 2.86Å; L41-L44 PolarHBondContact O-N 2.93Å; L41-I45 HydrophobicContact CD2-CD1 3.51Å; L41-I45 HydrophobicContact CD2-CG1 4.04Å; L41-I45 WeakPolarHBondContact O-CG1 3.04Å; L41-I45 PolarHBondContact O-N 3.34Å |
| 42 | M | 93 | Very high | 89.6 | Confident | 104 Ų | 104 | 98.1 Ų | 98.1 | 51% | 0.512 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 172.8 | -76.1 | -63.8 | -70.5 | 0 | 0 | 112.2 | V38 L39 I45 L46 | V38-M42 WeakPolarHBondContact O-CB 3.48Å; V38-M42 VanDerWaalsContact O-CG 3.32Å; V38-M42 WeakPolarHBondContact O-CG 3.33Å; V38-M42 PolarHBondContact O-N 2.03Å; L39-M42 PolarHBondContact O-N 3.24Å; M42-I45 PolarHBondContact O-N 3.04Å; M42-L46 WeakPolarHBondContact O-CG 3.44Å; M42-L46 PolarHBondContact O-N 3.21Å |
| 43 | I | 94.6 | Very high | 90.1 | Very high | 82 Ų | 82 | 94.4 Ų | 94.4 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 175.5 | -69.3 | 165.3 | 0 | 0 | 0 | 110.6 | L39 L40 L41 I45 L46 I47 | L39-I43 HydrophobicContact CD2-CD1 3.64Å; L39-I43 HydrophobicContact CG-CD1 4.17Å; L39-I43 VanDerWaalsContact O-CG1 3.29Å; L39-I43 WeakPolarHBondContact O-CG1 3Å; L39-I43 PolarHBondContact O-N 2.85Å; L40-I43 PolarHBondContact O-N 3.39Å; L41-I43 PolarHBondContact O-N 2.86Å; I43-I45 VanDerWaalsContact C-N 3.31Å; I43-I45 PolarHBondContact O-N 2.04Å; I43-L46 PolarHBondContact O-N 3.21Å; I43-I47 HydrophobicContact CG2-CD1 3.78Å; I43-I47 HydrophobicContact CG2-CG1 4.35Å; I43-I47 WeakPolarHBondContact O-CG1 3.35Å; I43-I47 PolarHBondContact O-N 3.48Å |
| 44 | L | 92.6 | Very high | 90.9 | Very high | 88 Ų | 88 | 98.1 Ų | 98.1 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 175 | -72.5 | 177 | 0 | 0 | 0 | 111.6 | L40 L41 I47 N48 | L40-L44 HydrophobicContact CD2-CD1 3.65Å; L40-L44 HydrophobicContact CD2-CG 4.15Å; L40-L44 WeakPolarHBondContact O-CG 3.26Å; L40-L44 PolarHBondContact O-N 2.9Å; L41-L44 PolarHBondContact O-N 2.93Å; L44-I47 PolarHBondContact O-N 2.91Å; L44-N48 WeakPolarHBondContact O-CB 3.49Å; L44-N48 VanDerWaalsContact O-CG 3.31Å; L44-N48 PolarHBondContact O-N 3.08Å; L44-N48 PolarHBondContact O-ND2 3.45Å |
| 45 | I | 94.5 | Very high | 91.2 | Very high | 87 Ų | 87 | 96.5 Ų | 96.5 | 45% | 0.446 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 174.7 | -70.8 | 167.3 | 0 | 0 | 0 | 110.6 | L41 M42 I43 N48 L49 | L41-I45 HydrophobicContact CD2-CD1 3.51Å; L41-I45 HydrophobicContact CD2-CG1 4.04Å; L41-I45 WeakPolarHBondContact O-CG1 3.04Å; L41-I45 PolarHBondContact O-N 3.34Å; M42-I45 PolarHBondContact O-N 3.04Å; I43-I45 VanDerWaalsContact C-N 3.31Å; I43-I45 PolarHBondContact O-N 2.04Å; I45-N48 PolarHBondContact O-N 3.3Å; I45-L49 WeakPolarHBondContact O-CB 3.4Å; I45-L49 PolarHBondContact O-N 3.36Å |
| 46 | L | 94.8 | Very high | 91.3 | Very high | 103 Ų | 103 | 93.5 Ų | 93.5 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 179.3 | -70.9 | 172.8 | 0 | 0 | 0 | 112.3 | M42 I43 L49 A50 | M42-L46 WeakPolarHBondContact O-CG 3.44Å; M42-L46 PolarHBondContact O-N 3.21Å; I43-L46 PolarHBondContact O-N 3.21Å; L46-L49 PolarHBondContact O-N 3.01Å; L46-A50 WeakPolarHBondContact O-CB 3.05Å; L46-A50 PolarHBondContact O-N 3.13Å |
| 47 | I | 95.6 | Very high | 91.3 | Very high | 95 Ų | 95 | 95.1 Ų | 95.1 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 175.5 | -68.3 | 169 | 0 | 0 | 0 | 110.1 | I43 L44 L49 A50 L51 | I43-I47 HydrophobicContact CG2-CD1 3.78Å; I43-I47 HydrophobicContact CG2-CG1 4.35Å; I43-I47 WeakPolarHBondContact O-CG1 3.35Å; I43-I47 PolarHBondContact O-N 3.48Å; L44-I47 PolarHBondContact O-N 2.91Å; I47-L49 VanDerWaalsContact C-N 3.33Å; I47-L49 PolarHBondContact O-N 3.13Å; I47-A50 PolarHBondContact O-N 3.34Å; I47-L51 VanDerWaalsContact O-CB 3.29Å; I47-L51 WeakPolarHBondContact O-CB 3.25Å; I47-L51 PolarHBondContact O-N 3.26Å |
| 48 | N | 92.6 | Very high | 91.1 | Very high | 95 Ų | 95 | 93.9 Ų | 93.9 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 177.4 | -77.2 | -48.9 | 0 | 0 | 0 | 111.7 | L44 I45 L51 T52 | L44-N48 WeakPolarHBondContact O-CB 3.49Å; L44-N48 VanDerWaalsContact O-CG 3.31Å; L44-N48 PolarHBondContact O-N 3.08Å; L44-N48 PolarHBondContact O-ND2 3.45Å; I45-N48 PolarHBondContact O-N 3.3Å; N48-L51 PolarHBondContact O-N 3.12Å; N48-T52 WeakPolarHBondContact O-CG2 3.44Å; N48-T52 PolarHBondContact O-N 3.3Å; N48-T52 PolarHBondContact O-OG1 2.83Å |
| 49 | L | 94 | Very high | 90.6 | Very high | 94 Ų | 94 | 94.9 Ų | 94.9 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 175.6 | -176.1 | 71.6 | 0 | 0 | 0 | 112 | I45 L46 I47 L51 T52 I53 | I45-L49 WeakPolarHBondContact O-CB 3.4Å; I45-L49 PolarHBondContact O-N 3.36Å; L46-L49 PolarHBondContact O-N 3.01Å; I47-L49 VanDerWaalsContact C-N 3.33Å; I47-L49 PolarHBondContact O-N 3.13Å; L49-L51 VanDerWaalsContact C-N 3.31Å; L49-L51 PolarHBondContact O-N 2.63Å; L49-T52 WeakPolarHBondContact CA-OG1 3.48Å; L49-T52 PolarHBondContact O-N 2.69Å; L49-T52 PolarHBondContact O-OG1 3.46Å; L49-I53 HydrophobicContact CD1-CD1 4.38Å; L49-I53 HydrophobicContact CG-CD1 4.02Å; L49-I53 VanDerWaalsContact O-CG1 3.27Å; L49-I53 WeakPolarHBondContact O-CG1 3.24Å; L49-I53 PolarHBondContact O-N 2.85Å |
| 50 | A | 93.4 | Very high | 90 | Very high | 60 Ų | 60 | 95 Ų | 95 | 50% | 0.496 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L46 I47 I53 W54 | L46-A50 WeakPolarHBondContact O-CB 3.05Å; L46-A50 PolarHBondContact O-N 3.13Å; I47-A50 PolarHBondContact O-N 3.34Å; A50-I53 PolarHBondContact O-N 2.71Å; A50-W54 VanDerWaalsContact O-CB 3.28Å; A50-W54 WeakPolarHBondContact O-CB 3.15Å; A50-W54 PolarHBondContact O-N 3.48Å |
| 51 | L | 93.4 | Very high | 89.3 | Confident | 85 Ų | 85 | 95.5 Ų | 95.5 | 45% | 0.445 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 177.9 | -169.8 | 140.4 | 0 | 0 | 0 | 111.7 | I47 N48 L49 W54 I55 | I47-L51 VanDerWaalsContact O-CB 3.29Å; I47-L51 WeakPolarHBondContact O-CB 3.25Å; I47-L51 PolarHBondContact O-N 3.26Å; N48-L51 PolarHBondContact O-N 3.12Å; L49-L51 VanDerWaalsContact C-N 3.31Å; L49-L51 PolarHBondContact O-N 2.63Å; L51-W54 PolarHBondContact O-N 3.38Å; L51-I55 HydrophobicContact CD2-CD1 3.52Å; L51-I55 HydrophobicContact CD2-CG1 4.36Å; L51-I55 HydrophobicContact CG-CD1 4.39Å; L51-I55 VanDerWaalsContact O-CG1 3.31Å; L51-I55 WeakPolarHBondContact O-CG1 3.16Å; L51-I55 PolarHBondContact O-N 2.89Å |
| 52 | T | 90.6 | Very high | 88.4 | Confident | 70 Ų | 70 | 95.4 Ų | 95.4 | 43% | 0.429 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66 | -44.7 | 174.4 | 54.4 | 0 | 0 | 0 | 0 | 112 | N48 L49 W54 I55 L56 | N48-T52 WeakPolarHBondContact O-CG2 3.44Å; N48-T52 PolarHBondContact O-N 3.3Å; N48-T52 PolarHBondContact O-OG1 2.83Å; L49-T52 WeakPolarHBondContact CA-OG1 3.48Å; L49-T52 PolarHBondContact O-N 2.69Å; L49-T52 PolarHBondContact O-OG1 3.46Å; T52-W54 VanDerWaalsContact C-N 3.28Å; T52-W54 PolarHBondContact O-N 3.31Å; T52-I55 PolarHBondContact O-N 3.35Å; T52-L56 VanDerWaalsContact O-CG 3.29Å; T52-L56 WeakPolarHBondContact O-CG 3.3Å; T52-L56 PolarHBondContact O-N 3.35Å |
| 53 | I | 89.3 | Confident | 87.4 | Confident | 100 Ų | 100 | 99.1 Ų | 99.1 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 175.6 | -67.7 | 168.7 | 0 | 0 | 0 | 110.7 | L49 A50 L56 K57 | L49-I53 HydrophobicContact CD1-CD1 4.38Å; L49-I53 HydrophobicContact CG-CD1 4.02Å; L49-I53 VanDerWaalsContact O-CG1 3.27Å; L49-I53 WeakPolarHBondContact O-CG1 3.24Å; L49-I53 PolarHBondContact O-N 2.85Å; A50-I53 PolarHBondContact O-N 2.71Å; I53-L56 PolarHBondContact O-N 2.81Å; I53-K57 WeakPolarHBondContact O-CB 3.07Å; I53-K57 PolarHBondContact O-N 2.87Å |
| 54 | W | 90.7 | Very high | 86.1 | Confident | 164 Ų | 164 | 99.8 Ų | 99.8 | 62% | 0.621 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65 | -45.2 | 177.7 | 179.7 | 59.5 | 0 | 0 | 0 | 112.4 | A50 L51 T52 L56 K57 V58 | A50-W54 VanDerWaalsContact O-CB 3.28Å; A50-W54 WeakPolarHBondContact O-CB 3.15Å; A50-W54 PolarHBondContact O-N 3.48Å; L51-W54 PolarHBondContact O-N 3.38Å; T52-W54 VanDerWaalsContact C-N 3.28Å; T52-W54 PolarHBondContact O-N 3.31Å; W54-L56 VanDerWaalsContact C-N 3.35Å; W54-L56 PolarHBondContact O-N 3.27Å; W54-K57 PolarHBondContact O-N 3.24Å; W54-V58 HydrophobicContact CD2-CG2 4.36Å; W54-V58 HydrophobicContact CG-CG2 4.44Å; W54-V58 HydrophobicContact CZ2-CG2 4.28Å; W54-V58 WeakPolarHBondContact O-CG2 3.03Å; W54-V58 PolarHBondContact O-N 3.2Å |
| 55 | I | 88.8 | Confident | 85.2 | Confident | 69 Ų | 69 | 95.9 Ų | 95.9 | 35% | 0.354 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.2 | -46 | 174.9 | -72.8 | 172.6 | 0 | 0 | 0 | 110.8 | L51 T52 K57 V58 M59 | L51-I55 HydrophobicContact CD2-CD1 3.52Å; L51-I55 HydrophobicContact CD2-CG1 4.36Å; L51-I55 HydrophobicContact CG-CD1 4.39Å; L51-I55 VanDerWaalsContact O-CG1 3.31Å; L51-I55 WeakPolarHBondContact O-CG1 3.16Å; L51-I55 PolarHBondContact O-N 2.89Å; T52-I55 PolarHBondContact O-N 3.35Å; I55-K57 VanDerWaalsContact C-N 3.28Å; I55-K57 PolarHBondContact O-N 3.15Å; I55-V58 PolarHBondContact O-N 3.47Å; I55-M59 HydrophobicContact CG2-CE 3.58Å; I55-M59 HydrophobicContact CG2-CG 4.29Å; I55-M59 HydrophobicContact CG2-SD 4.43Å; I55-M59 WeakPolarHBondContact O-CB 3.27Å; I55-M59 WeakPolarHBondContact O-CG 3.28Å; I55-M59 PolarHBondContact O-N 3.24Å |
| 56 | L | 85.1 | Confident | 84.5 | Confident | 87 Ų | 87 | 96.1 Ų | 96.1 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 177.6 | -71.5 | 171.1 | 0 | 0 | 0 | 111.6 | T52 I53 W54 N60 F61 | T52-L56 VanDerWaalsContact O-CG 3.29Å; T52-L56 WeakPolarHBondContact O-CG 3.3Å; T52-L56 PolarHBondContact O-N 3.35Å; I53-L56 PolarHBondContact O-N 2.81Å; W54-L56 VanDerWaalsContact C-N 3.35Å; W54-L56 PolarHBondContact O-N 3.27Å; L56-N60 PolarHBondContact O-N 2.84Å; L56-F61 HydrophobicContact CD2-CB 4Å; L56-F61 HydrophobicContact CD2-CD2 4.34Å; L56-F61 HydrophobicContact CD2-CG 4.18Å; L56-F61 PolarHBondContact O-N 2.89Å |
| 57 | K | 85.1 | Confident | 83.8 | Confident | 169 Ų | 169 | 93 Ų | 93 | 74% | 0.735 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.7 | -45.5 | 176.6 | -172.7 | -179.4 | -178.7 | 173.9 | 0 | 112.4 | I53 W54 I55 N60 | I53-K57 WeakPolarHBondContact O-CB 3.07Å; I53-K57 PolarHBondContact O-N 2.87Å; W54-K57 PolarHBondContact O-N 3.24Å; I55-K57 VanDerWaalsContact C-N 3.28Å; I55-K57 PolarHBondContact O-N 3.15Å; K57-N60 PolarHBondContact O-N 3.48Å; K57-N60 VanDerWaalsContact O-N 3.17Å |
| 58 | V | 85.3 | Confident | 83.2 | Confident | 99 Ų | 99 | 92.1 Ų | 92.1 | 60% | 0.6 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68 | -40 | -178.7 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | W54 I55 N60 | W54-V58 HydrophobicContact CD2-CG2 4.36Å; W54-V58 HydrophobicContact CG-CG2 4.44Å; W54-V58 HydrophobicContact CZ2-CG2 4.28Å; W54-V58 WeakPolarHBondContact O-CG2 3.03Å; W54-V58 PolarHBondContact O-N 3.2Å; I55-V58 PolarHBondContact O-N 3.47Å; V58-N60 PolarHBondContact O-N 2.8Å |
| 59 | M | 79.4 | Confident | 82.8 | Confident | 93 Ų | 93 | 90.2 Ų | 90.2 | 46% | 0.458 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 3.9 | 174.7 | -69.3 | -152.2 | -66 | 0 | 0 | 113.4 | I55 F61 | I55-M59 HydrophobicContact CG2-CE 3.58Å; I55-M59 HydrophobicContact CG2-CG 4.29Å; I55-M59 HydrophobicContact CG2-SD 4.43Å; I55-M59 WeakPolarHBondContact O-CB 3.27Å; I55-M59 WeakPolarHBondContact O-CG 3.28Å; I55-M59 PolarHBondContact O-N 3.24Å; M59-F61 HydrophobicContact CB-CD2 3.58Å; M59-F61 HydrophobicContact CB-CE2 3.96Å; M59-F61 HydrophobicContact CE-CD2 3.83Å; M59-F61 HydrophobicContact CE-CE2 3.35Å; M59-F61 HydrophobicContact CE-CZ 4.4Å; M59-F61 PolarHBondContact O-N 2.9Å; M59-F61 HydrophobicContact SD-CE2 4.1Å |
| 60 | N | 76.9 | Confident | 82.2 | Confident | 99 Ų | 99 | 90.9 Ų | 90.9 | 53% | 0.529 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 44 | -179.2 | -157.5 | 13.7 | 0 | 0 | 0 | 112.4 | L56 K57 V58 T62 G67 | L56-N60 PolarHBondContact O-N 2.84Å; K57-N60 PolarHBondContact O-N 3.48Å; K57-N60 VanDerWaalsContact O-N 3.17Å; V58-N60 PolarHBondContact O-N 2.8Å; N60-T62 PolarHBondContact O-N 2.86Å; N60-G67 PolarHBondContact O-N 3.42Å; N60-G67 VanDerWaalsContact O-N 3.12Å |
| 61 | F | 76.1 | Confident | 81.7 | Confident | 85 Ų | 85 | 94 Ų | 94 | 37% | 0.373 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 115.7 | 172.9 | -94.5 | -86.5 | 0 | 0 | 0 | 109.1 | L56 M59 M66 | L56-F61 HydrophobicContact CD2-CB 4Å; L56-F61 HydrophobicContact CD2-CD2 4.34Å; L56-F61 HydrophobicContact CD2-CG 4.18Å; L56-F61 PolarHBondContact O-N 2.89Å; M59-F61 HydrophobicContact CB-CD2 3.58Å; M59-F61 HydrophobicContact CB-CE2 3.96Å; M59-F61 HydrophobicContact CE-CD2 3.83Å; M59-F61 HydrophobicContact CE-CE2 3.35Å; M59-F61 HydrophobicContact CE-CZ 4.4Å; M59-F61 PolarHBondContact O-N 2.9Å; M59-F61 HydrophobicContact SD-CE2 4.1Å; F61-M66 HydrophobicContact CD1-CB 4.15Å; F61-M66 HydrophobicContact CD1-CG 4.47Å; F61-M66 HydrophobicContact CD2-CG 4.05Å; F61-M66 HydrophobicContact CE1-CB 3.91Å; F61-M66 HydrophobicContact CE1-CE 3.91Å; F61-M66 HydrophobicContact CE1-CG 4.18Å; F61-M66 HydrophobicContact CE2-CB 4.33Å; F61-M66 HydrophobicContact CE2-CE 3.46Å; F61-M66 VanDerWaalsContact CE2-CE 3.46Å; F61-M66 HydrophobicContact CE2-CG 3.69Å; F61-M66 HydrophobicContact CE2-SD 4.2Å; F61-M66 HydrophobicContact CG-CG 4.46Å; F61-M66 HydrophobicContact CZ-CB 4.07Å; F61-M66 HydrophobicContact CZ-CE 3.05Å; F61-M66 HydrophobicContact CZ-CG 3.84Å; F61-M66 HydrophobicContact CZ-SD 4.2Å |
| 62 | T | 69.9 | Low | 81.1 | Confident | 76 Ų | 76 | 92.9 Ų | 92.9 | 47% | 0.466 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 167.5 | 172 | 61.6 | 0 | 0 | 0 | 0 | 109.1 | N60 D64 G65 | N60-T62 PolarHBondContact O-N 2.86Å; T62-D64 PolarHBondContact O-N 2.95Å; T62-G65 PolarHBondContact N-O 3.46Å; T62-G65 PolarHBondContact O-N 2.88Å; T62-G65 VanDerWaalsContact O-N 3.15Å; T62-G65 VanDerWaalsContact O-O 3.09Å; T62-G65 PolarHBondContact OG1-N 2.62Å; T62-G65 PolarHBondContact OG1-O 3.37Å |
| 63 | I | 71.8 | Confident | 80.7 | Confident | 181 Ų | 181 | 99.4 Ų | 99.4 | 93% | 0.928 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -26.4 | 174.9 | -62.1 | 171.8 | 0 | 0 | 0 | 110.6 | ||
| 64 | D | 68.9 | Low | 80.2 | Confident | 97 Ų | 97 | 104.7 Ų | 104.7 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -11.1 | -178.9 | -59.9 | -30.6 | 0 | 0 | 0 | 114 | T62 R70 I71 | T62-D64 PolarHBondContact O-N 2.95Å; D64-R70 VanDerWaalsContact O-CA 3.29Å; D64-R70 WeakPolarHBondContact O-CA 3.49Å; D64-I71 PolarHBondContact O-N 2.78Å; D64-I71 VanDerWaalsContact O-N 3.11Å |
| 65 | G | 74.1 | Confident | 79.8 | Confident | 6 Ų | 6 | 98.5 Ų | 98.5 | 6% | 0.062 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.8 | -170.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | T62 L69 | T62-G65 PolarHBondContact N-O 3.46Å; T62-G65 PolarHBondContact O-N 2.88Å; T62-G65 VanDerWaalsContact O-N 3.15Å; T62-G65 VanDerWaalsContact O-O 3.09Å; T62-G65 PolarHBondContact OG1-N 2.62Å; T62-G65 PolarHBondContact OG1-O 3.37Å; G65-L69 CarbonylContact C-O 3.5Å; G65-L69 WeakPolarHBondContact CA-O 3.47Å |
| 66 | M | 79.3 | Confident | 79.5 | Confident | 92 Ų | 92 | 101.1 Ų | 101.1 | 45% | 0.453 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 110.8 | 177 | -176.3 | -155.3 | -71.3 | 0 | 0 | 109.6 | F61 N68 L69 | F61-M66 HydrophobicContact CD1-CB 4.15Å; F61-M66 HydrophobicContact CD1-CG 4.47Å; F61-M66 HydrophobicContact CD2-CG 4.05Å; F61-M66 HydrophobicContact CE1-CB 3.91Å; F61-M66 HydrophobicContact CE1-CE 3.91Å; F61-M66 HydrophobicContact CE1-CG 4.18Å; F61-M66 HydrophobicContact CE2-CB 4.33Å; F61-M66 HydrophobicContact CE2-CE 3.46Å; F61-M66 VanDerWaalsContact CE2-CE 3.46Å; F61-M66 HydrophobicContact CE2-CG 3.69Å; F61-M66 HydrophobicContact CE2-SD 4.2Å; F61-M66 HydrophobicContact CG-CG 4.46Å; F61-M66 HydrophobicContact CZ-CB 4.07Å; F61-M66 HydrophobicContact CZ-CE 3.05Å; F61-M66 HydrophobicContact CZ-CG 3.84Å; F61-M66 HydrophobicContact CZ-SD 4.2Å; M66-N68 PolarHBondContact O-N 3.28Å; M66-L69 PolarHBondContact N-O 2.85Å; M66-L69 VanDerWaalsContact O-CB 3.31Å; M66-L69 WeakPolarHBondContact O-CB 3.37Å; M66-L69 PolarHBondContact O-N 3.07Å |
| 67 | G | 79.8 | Confident | 79.5 | Confident | 38 Ų | 38 | 101.9 Ų | 101.9 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | -122.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N60 L69 | N60-G67 PolarHBondContact O-N 3.42Å; N60-G67 VanDerWaalsContact O-N 3.12Å; G67-L69 VanDerWaalsContact C-N 3.3Å |
| 68 | N | 82.4 | Confident | 79.5 | Confident | 76 Ų | 76 | 97.3 Ų | 97.3 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -9.8 | 177.1 | -74.7 | -7.5 | 0 | 0 | 0 | 113.2 | M66 L78 E79 D81 | M66-N68 PolarHBondContact O-N 3.28Å; N68-L78 HydrophobicContact CB-CD1 4.08Å; N68-L78 CarbonylContact O-C 3.54Å; N68-L78 WeakPolarHBondContact O-CA 3.26Å; N68-E79 WeakPolarHBondContact CB-O 3.21Å; N68-E79 PolarHBondContact O-N 2.73Å; N68-E79 PolarHBondContact OD1-O 2.83Å; N68-D81 PolarHBondContact ND2-O 3.12Å |
| 69 | L | 84.1 | Confident | 79.3 | Confident | 55 Ų | 55 | 95.8 Ų | 95.8 | 29% | 0.288 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 108.9 | -179.8 | -171.6 | 76.5 | 0 | 0 | 0 | 109.8 | G65 M66 G67 L76 L78 | G65-L69 CarbonylContact C-O 3.5Å; G65-L69 WeakPolarHBondContact CA-O 3.47Å; M66-L69 PolarHBondContact N-O 2.85Å; M66-L69 VanDerWaalsContact O-CB 3.31Å; M66-L69 WeakPolarHBondContact O-CB 3.37Å; M66-L69 PolarHBondContact O-N 3.07Å; G67-L69 VanDerWaalsContact C-N 3.3Å; L69-L76 HydrophobicContact CD1-CB 4.07Å; L69-L76 HydrophobicContact CD2-CD2 4.25Å; L69-L76 HydrophobicContact CG-CD2 4.4Å; L69-L78 HydrophobicContact CB-CD1 3.99Å; L69-L78 HydrophobicContact CD1-CB 4.31Å; L69-L78 HydrophobicContact CD1-CD1 3.91Å |
| 70 | R | 82.3 | Confident | 79.5 | Confident | 108 Ų | 108 | 94.1 Ų | 94.1 | 41% | 0.408 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 140.1 | 172.7 | -60 | -170.1 | -173.5 | -109.9 | 1.4 | 111.5 | D64 K77 E79 | D64-R70 VanDerWaalsContact O-CA 3.29Å; D64-R70 WeakPolarHBondContact O-CA 3.49Å; R70-K77 WeakPolarHBondContact CA-O 3.22Å; R70-K77 HydrophobicContact CB-CB 4.45Å; R70-K77 PolarHBondContact N-O 3.23Å; R70-K77 PolarHBondContact O-N 2.94Å; R70-E79 WeakPolarHBondContact CD-OE2 3.5Å; R70-E79 IonicContact CZ-OE2 3.37Å; R70-E79 IonicContact NE-OE2 2.98Å; R70-E79 PolarHBondContact NE-OE2 3.41Å; R70-E79 IonicContact NH2-OE2 3.52Å |
| 71 | I | 82.1 | Confident | 79.7 | Confident | 126 Ų | 126 | 96.9 Ų | 96.9 | 65% | 0.646 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 115.9 | 174 | -56.8 | 173.3 | 0 | 0 | 0 | 107.3 | D64 L76 | D64-I71 PolarHBondContact O-N 2.78Å; D64-I71 VanDerWaalsContact O-N 3.11Å; I71-L76 HydrophobicContact CG1-CD2 3.92Å |
| 72 | T | 82.3 | Confident | 80.1 | Confident | 60 Ų | 60 | 95.2 Ų | 95.2 | 37% | 0.368 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 162.9 | 177 | 67.9 | 0 | 0 | 0 | 0 | 110 | K74 G75 K77 | T72-K74 PolarHBondContact O-N 3.08Å; T72-G75 WeakPolarHBondContact CA-O 3.14Å; T72-G75 PolarHBondContact N-O 2.93Å; T72-G75 PolarHBondContact O-N 2.8Å; T72-G75 PolarHBondContact OG1-O 3.13Å; T72-K77 HydrophobicContact CG2-CB 3.96Å; T72-K77 HydrophobicContact CG2-CD 4.34Å |
| 73 | E | 81.7 | Confident | 80.9 | Confident | 208 Ų | 208 | 99.9 Ų | 99.9 | 97% | 0.972 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -24 | 176 | -61.8 | 178.4 | 176 | 0 | 0 | 113.2 | ||
| 74 | K | 79.3 | Confident | 81.5 | Confident | 210 Ų | 210 | 96.6 Ų | 96.6 | 91% | 0.913 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -2.3 | 179 | -63.2 | -178.7 | -179.6 | 177.7 | 0 | 113.3 | T72 | T72-K74 PolarHBondContact O-N 3.08Š|
| 75 | G | 81.8 | Confident | 82.6 | Confident | 35 Ų | 35 | 100.1 Ų | 100.1 | 36% | 0.361 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 123.3 | -156.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T72 | T72-G75 WeakPolarHBondContact CA-O 3.14Å; T72-G75 PolarHBondContact N-O 2.93Å; T72-G75 PolarHBondContact O-N 2.8Å; T72-G75 PolarHBondContact OG1-O 3.13Å |
| 76 | L | 82.4 | Confident | 83.4 | Confident | 124 Ų | 124 | 107.6 Ų | 107.6 | 65% | 0.649 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.5 | 129.8 | -177.5 | -61.8 | 176.3 | 0 | 0 | 0 | 111 | L69 I71 | L69-L76 HydrophobicContact CD1-CB 4.07Å; L69-L76 HydrophobicContact CD2-CD2 4.25Å; L69-L76 HydrophobicContact CG-CD2 4.4Å; I71-L76 HydrophobicContact CG1-CD2 3.92Å |
| 77 | K | 84 | Confident | 83.9 | Confident | 102 Ų | 102 | 107.8 Ų | 107.8 | 44% | 0.443 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.9 | 116.8 | 176.1 | -172 | -173.9 | -173.4 | -169.7 | 0 | 109.2 | R70 T72 E79 | R70-K77 WeakPolarHBondContact CA-O 3.22Å; R70-K77 HydrophobicContact CB-CB 4.45Å; R70-K77 PolarHBondContact N-O 3.23Å; R70-K77 PolarHBondContact O-N 2.94Å; T72-K77 HydrophobicContact CG2-CB 3.96Å; T72-K77 HydrophobicContact CG2-CD 4.34Å; K77-E79 HydrophobicContact CD-CG 4.06Å; K77-E79 WeakPolarHBondContact CD-OE1 3.5Å; K77-E79 WeakPolarHBondContact CE-OE1 3.28Å; K77-E79 HydrophobicContact CG-CG 4.09Å; K77-E79 IonicContact NZ-OE1 2.75Å; K77-E79 PolarHBondContact NZ-OE1 2.87Å |
| 78 | L | 85.3 | Confident | 84.3 | Confident | 73 Ų | 73 | 111.4 Ų | 111.4 | 38% | 0.382 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.1 | 119.4 | 176.4 | -167.7 | 67.3 | 0 | 0 | 0 | 109.3 | N68 L69 S82 F84 | N68-L78 HydrophobicContact CB-CD1 4.08Å; N68-L78 CarbonylContact O-C 3.54Å; N68-L78 WeakPolarHBondContact O-CA 3.26Å; L69-L78 HydrophobicContact CB-CD1 3.99Å; L69-L78 HydrophobicContact CD1-CB 4.31Å; L69-L78 HydrophobicContact CD1-CD1 3.91Å; L78-S82 WeakPolarHBondContact CD1-OG 3.17Å; L78-S82 VanDerWaalsContact CD2-OG 3.31Å; L78-S82 WeakPolarHBondContact CD2-OG 3.33Å; L78-S82 VanDerWaalsContact CG-OG 3.22Å; L78-S82 WeakPolarHBondContact CG-OG 3.49Å; L78-F84 HydrophobicContact CD2-CE1 4.02Å; L78-F84 HydrophobicContact CD2-CE2 4.1Å; L78-F84 HydrophobicContact CD2-CZ 3.34Å |
| 79 | E | 81.9 | Confident | 84.6 | Confident | 67 Ų | 67 | 117.6 Ų | 117.6 | 31% | 0.313 | 60% | 0.597 | S | S | . | * | trans | -120.2 | 117.3 | -178.6 | -66.1 | -174.3 | 165.3 | 0 | 0 | 110.7 | N68 R70 K77 | N68-E79 WeakPolarHBondContact CB-O 3.21Å; N68-E79 PolarHBondContact O-N 2.73Å; N68-E79 PolarHBondContact OD1-O 2.83Å; R70-E79 WeakPolarHBondContact CD-OE2 3.5Å; R70-E79 IonicContact CZ-OE2 3.37Å; R70-E79 IonicContact NE-OE2 2.98Å; R70-E79 PolarHBondContact NE-OE2 3.41Å; R70-E79 IonicContact NH2-OE2 3.52Å; K77-E79 HydrophobicContact CD-CG 4.06Å; K77-E79 WeakPolarHBondContact CD-OE1 3.5Å; K77-E79 WeakPolarHBondContact CE-OE1 3.28Å; K77-E79 HydrophobicContact CG-CG 4.09Å; K77-E79 IonicContact NZ-OE1 2.75Å; K77-E79 PolarHBondContact NZ-OE1 2.87Å | ||
| 80 | G | 82.7 | Confident | 84.9 | Confident | 59 Ų | 59 | 117.6 Ų | 117.6 | 61% | 0.608 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 107.9 | -174.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | S82 | G80-S82 PolarHBondContact O-N 2.89Å; G80-S82 PolarHBondContact O-OG 3.08Å |
| 81 | D | 82.6 | Confident | 85.1 | Confident | 157 Ų | 157 | 123.2 Ų | 123.2 | 84% | 0.84 | 63% | 0.632 | S | S | * | * | trans | -66.2 | 128.2 | -178.5 | -61 | -32.1 | 0 | 0 | 0 | 110 | N68 | N68-D81 PolarHBondContact ND2-O 3.12Š| ||
| 82 | S | 84.3 | Confident | 85.5 | Confident | 50 Ų | 50 | 122.6 Ų | 122.6 | 35% | 0.35 | 63% | 0.626 | S | S | . | * | trans | -145.4 | 142.1 | -175.9 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | L78 G80 | L78-S82 WeakPolarHBondContact CD1-OG 3.17Å; L78-S82 VanDerWaalsContact CD2-OG 3.31Å; L78-S82 WeakPolarHBondContact CD2-OG 3.33Å; L78-S82 VanDerWaalsContact CG-OG 3.22Å; L78-S82 WeakPolarHBondContact CG-OG 3.49Å; G80-S82 PolarHBondContact O-N 2.89Å; G80-S82 PolarHBondContact O-OG 3.08Å | ||
| 83 | E | 85.4 | Confident | 85.8 | Confident | 174 Ų | 174 | 125.8 Ų | 125.8 | 81% | 0.813 | 64% | 0.64 | S | S | * | * | trans | -112 | 138.9 | 179.3 | -172.5 | 173.5 | -170.9 | 0 | 0 | 109.8 | ||||
| 84 | F | 86.1 | Confident | 86.2 | Confident | 112 Ų | 112 | 124.6 Ų | 124.6 | 49% | 0.491 | 63% | 0.626 | S | S | . | * | trans | -117.1 | 120.7 | 177.6 | -61 | -87.5 | 0 | 0 | 0 | 109.1 | L78 Q86 L88 | L78-F84 HydrophobicContact CD2-CE1 4.02Å; L78-F84 HydrophobicContact CD2-CE2 4.1Å; L78-F84 HydrophobicContact CD2-CZ 3.34Å; F84-Q86 VanDerWaalsContact C-N 3.27Å; F84-Q86 PolarHBondContact O-N 2.92Å; F84-L88 HydrophobicContact CD1-CD1 4.2Å; F84-L88 HydrophobicContact CE1-CD1 3.89Å; F84-L88 HydrophobicContact CE2-CD2 4.39Å; F84-L88 HydrophobicContact CZ-CD1 4.22Å; F84-L88 HydrophobicContact CZ-CD2 4.34Å | ||
| 85 | L | 89.9 | Confident | 86.8 | Confident | 170 Ų | 170 | 116.8 Ų | 116.8 | 89% | 0.89 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -74.2 | -21 | 177.5 | -63.7 | 175.3 | 0 | 0 | 0 | 112.9 | ||
| 86 | Q | 91.6 | Very high | 87.1 | Confident | 163 Ų | 163 | 118.6 Ų | 118.6 | 76% | 0.762 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -122.6 | 161.9 | -177.4 | -71.2 | -174 | -10 | 0 | 0 | 110.8 | F84 L88 | F84-Q86 VanDerWaalsContact C-N 3.27Å; F84-Q86 PolarHBondContact O-N 2.92Å; Q86-L88 PolarHBondContact O-N 2.82Å |
| 87 | P | 90.1 | Very high | 87.4 | Confident | 97 Ų | 97 | 119.1 Ų | 119.1 | 63% | 0.63 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 132.3 | 176.6 | -24 | 34.4 | 0 | 0 | 0 | 112.1 | Y89 | P87-Y89 HydrophobicContact CB-CE2 4.07Š|
| 88 | L | 88.9 | Confident | 87.7 | Confident | 113 Ų | 113 | 118.7 Ų | 118.7 | 59% | 0.592 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 122.2 | 173.7 | -174 | 72.9 | 0 | 0 | 0 | 109.6 | F84 Q86 | F84-L88 HydrophobicContact CD1-CD1 4.2Å; F84-L88 HydrophobicContact CE1-CD1 3.89Å; F84-L88 HydrophobicContact CE2-CD2 4.39Å; F84-L88 HydrophobicContact CZ-CD1 4.22Å; F84-L88 HydrophobicContact CZ-CD2 4.34Å; Q86-L88 PolarHBondContact O-N 2.82Å |
| 89 | Y | 88.4 | Confident | 87.9 | Confident | 207 Ų | 207 | 124 Ų | 124 | 81% | 0.812 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -99 | 117 | 171.9 | -60.3 | -85.6 | 0 | 0 | 0 | 108.9 | P87 | P87-Y89 HydrophobicContact CB-CE2 4.07Š|
| 90 | A | 89.3 | Confident | 88.3 | Confident | 55 Ų | 55 | 124.8 Ų | 124.8 | 46% | 0.455 | 67% | 0.666 | S | S | . | * | trans | -126.9 | 138.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | E92 I93 | A90-E92 VanDerWaalsContact C-N 3.29Å; A90-I93 HydrophobicContact CB-CG1 3.92Å | ||
| 91 | K | 87.9 | Confident | 88.7 | Confident | 225 Ų | 225 | 126.1 Ų | 126.1 | 98% | 0.978 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -68 | -34.2 | 171.2 | -176.8 | 178.1 | 178.6 | -179.5 | 0 | 111.4 | ||
| 92 | E | 89 | Confident | 89 | Confident | 114 Ų | 114 | 127 Ų | 127 | 53% | 0.533 | 66% | 0.656 | S | S | . | * | trans | -145.7 | 132.6 | -176.9 | -171 | -177.4 | 173.5 | 0 | 0 | 109.4 | A90 R94 | A90-E92 VanDerWaalsContact C-N 3.29Å; E92-R94 WeakPolarHBondContact OE1-CD 3.33Å; E92-R94 IonicContact OE1-CZ 3.52Å; E92-R94 IonicContact OE1-NE 3.69Å; E92-R94 IonicContact OE1-NH1 2.71Å; E92-R94 PolarHBondContact OE1-NH1 3.39Å; E92-R94 IonicContact OE2-CZ 3.46Å; E92-R94 VanDerWaalsContact OE2-CZ 3.26Å; E92-R94 IonicContact OE2-NE 2.83Å; E92-R94 IonicContact OE2-NH1 3.16Å; E92-R94 PolarHBondContact OE2-NH1 3.45Å; E92-R94 IonicContact OE2-NH2 2.85Å | ||
| 93 | I | 89.8 | Confident | 89.2 | Confident | 126 Ų | 126 | 130.5 Ų | 130.5 | 65% | 0.646 | 67% | 0.67 | S | S | * | * | trans | -118 | 115.6 | 171.1 | -57.6 | 174.7 | 0 | 0 | 0 | 106.4 | A90 L101 | A90-I93 HydrophobicContact CB-CG1 3.92Å; I93-L101 HydrophobicContact CG2-CD1 4.27Å; I93-L101 HydrophobicContact CG2-CD2 4.03Å | ||
| 94 | R | 90.4 | Very high | 89.4 | Confident | 183 Ų | 183 | 131.8 Ų | 131.8 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | trans | -137.3 | 145.5 | -178.2 | 56.6 | 174.5 | 158.8 | -143.5 | -2.2 | 111 | E92 | E92-R94 WeakPolarHBondContact OE1-CD 3.33Å; E92-R94 IonicContact OE1-CZ 3.52Å; E92-R94 IonicContact OE1-NE 3.69Å; E92-R94 IonicContact OE1-NH1 2.71Å; E92-R94 PolarHBondContact OE1-NH1 3.39Å; E92-R94 IonicContact OE2-CZ 3.46Å; E92-R94 VanDerWaalsContact OE2-CZ 3.26Å; E92-R94 IonicContact OE2-NE 2.83Å; E92-R94 IonicContact OE2-NH1 3.16Å; E92-R94 PolarHBondContact OE2-NH1 3.45Å; E92-R94 IonicContact OE2-NH2 2.85Å | ||
| 95 | S | 91.3 | Very high | 89.5 | Confident | 46 Ų | 46 | 129.6 Ų | 129.6 | 32% | 0.322 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -80.7 | 165.3 | 166.8 | 55 | 0 | 0 | 0 | 0 | 111 | R99 | S95-R99 WeakPolarHBondContact CB-O 3.19Å; S95-R99 PolarHBondContact OG-O 2.83Å |
| 96 | S | 86.9 | Confident | 89.6 | Confident | 74 Ų | 74 | 127.5 Ų | 127.5 | 52% | 0.517 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 148.6 | 172.2 | -52.3 | 0 | 0 | 0 | 0 | 111 | G98 R99 | S96-G98 PolarHBondContact O-N 2.81Å; S96-R99 PolarHBondContact O-N 2.83Å |
| 97 | P | 90.1 | Very high | 89.7 | Confident | 134 Ų | 134 | 129.5 Ų | 129.5 | 87% | 0.87 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.9 | 130.2 | 177.5 | -27 | 34.7 | 0 | 0 | 0 | 111.9 | R99 | P97-R99 VanDerWaalsContact C-N 3.27Å; P97-R99 PolarHBondContact O-N 2.9Å |
| 98 | G | 89.3 | Confident | 89.8 | Confident | 93 Ų | 93 | 129.5 Ų | 129.5 | 96% | 0.959 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.2 | 3.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | S96 | S96-G98 PolarHBondContact O-N 2.81Š|
| 99 | R | 90.1 | Very high | 90.1 | Very high | 185 Ų | 185 | 126.2 Ų | 126.2 | 70% | 0.698 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -116.6 | 141.3 | 174.4 | -64.6 | -172.5 | 177.8 | -178.7 | -1.1 | 110.7 | S95 S96 P97 | S95-R99 WeakPolarHBondContact CB-O 3.19Å; S95-R99 PolarHBondContact OG-O 2.83Å; S96-R99 PolarHBondContact O-N 2.83Å; P97-R99 VanDerWaalsContact C-N 3.27Å; P97-R99 PolarHBondContact O-N 2.9Å |
| 100 | P | 90.2 | Very high | 90.3 | Very high | 83 Ų | 83 | 119.4 Ų | 119.4 | 54% | 0.539 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -73.3 | 155.6 | 175.3 | 31.2 | -34.8 | 0 | 0 | 0 | 111.4 | F102 | P100-F102 HydrophobicContact CG-CD2 4.3Å; P100-F102 HydrophobicContact CG-CE1 4.13Å; P100-F102 HydrophobicContact CG-CE2 3.55Å; P100-F102 HydrophobicContact CG-CZ 3.45Å; P100-F102 VanDerWaalsContact CG-CZ 3.45Å |
| 101 | L | 91.2 | Very high | 90.5 | Very high | 88 Ų | 88 | 120.4 Ų | 120.4 | 46% | 0.461 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -82.7 | 116.1 | 168.5 | 178.5 | 64.8 | 0 | 0 | 0 | 108.7 | I93 L103 | I93-L101 HydrophobicContact CG2-CD1 4.27Å; I93-L101 HydrophobicContact CG2-CD2 4.03Å; L101-L103 HydrophobicContact CG-CD2 4.5Å; L101-L103 HydrophobicContact CG-CG 4.43Å |
| 102 | F | 89.2 | Confident | 90.8 | Very high | 175 Ų | 175 | 113.2 Ų | 113.2 | 77% | 0.768 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 124.6 | 177 | -67.5 | -78.1 | 0 | 0 | 0 | 110.4 | P100 | P100-F102 HydrophobicContact CG-CD2 4.3Å; P100-F102 HydrophobicContact CG-CE1 4.13Å; P100-F102 HydrophobicContact CG-CE2 3.55Å; P100-F102 HydrophobicContact CG-CZ 3.45Å; P100-F102 VanDerWaalsContact CG-CZ 3.45Å |
| 103 | L | 88.6 | Confident | 91.1 | Very high | 124 Ų | 124 | 111.6 Ų | 111.6 | 65% | 0.649 | 60% | 0.604 | S | S | * | * | trans | -120.3 | 109.6 | 172 | -61.9 | 174.5 | 0 | 0 | 0 | 107.9 | L101 | L101-L103 HydrophobicContact CG-CD2 4.5Å; L101-L103 HydrophobicContact CG-CG 4.43Å | ||
| 104 | Q | 88.4 | Confident | 91.3 | Very high | 200 Ų | 200 | 109 Ų | 109 | 94% | 0.935 | 59% | 0.594 | S | S | * | * | trans | -116.3 | 132 | 180 | -174.2 | 174.6 | -7 | 0 | 0 | 109.9 | ||||
| 105 | S | 89.3 | Confident | 91.5 | Very high | 66 Ų | 66 | 102.3 Ų | 102.3 | 46% | 0.462 | 57% | 0.571 | S | S | . | * | trans | -145.4 | 143.6 | 179.2 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | R107 | S105-R107 VanDerWaalsContact CB-O 3.26Å; S105-R107 WeakPolarHBondContact CB-O 3.14Å; S105-R107 PolarHBondContact OG-N 2.73Å; S105-R107 VanDerWaalsContact OG-N 3.08Å; S105-R107 PolarHBondContact OG-O 2.61Å | ||
| 106 | S | 91.6 | Very high | 91.6 | Very high | 126 Ų | 126 | 105.8 Ų | 105.8 | 88% | 0.881 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -77.8 | -7.6 | 169.3 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 107 | R | 92.8 | Very high | 92 | Very high | 205 Ų | 205 | 107.9 Ų | 107.9 | 77% | 0.774 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -123.4 | 171.6 | 178.9 | -62.2 | -178.1 | -177.9 | -94.1 | 1 | 110.4 | S105 V109 | S105-R107 VanDerWaalsContact CB-O 3.26Å; S105-R107 WeakPolarHBondContact CB-O 3.14Å; S105-R107 PolarHBondContact OG-N 2.73Å; S105-R107 VanDerWaalsContact OG-N 3.08Å; S105-R107 PolarHBondContact OG-O 2.61Å; R107-V109 PolarHBondContact O-N 2.98Å |
| 108 | N | 94 | Very high | 92 | Very high | 98 Ų | 98 | 108 Ų | 108 | 52% | 0.524 | 59% | 0.594 | S | S | . | * | trans | -56.4 | 136 | 177.4 | -62.2 | -5.3 | 0 | 0 | 0 | 111.3 | V125 T126 G127 | N108-V125 HydrophobicContact CB-CG1 4.23Å; N108-T126 CarbonylContact C-O 3.54Å; N108-T126 VanDerWaalsContact CA-O 3.3Å; N108-T126 WeakPolarHBondContact CA-O 3.4Å; N108-G127 VanDerWaalsContact OD1-CA 3.32Å; N108-G127 WeakPolarHBondContact OD1-CA 2.95Å | ||
| 109 | V | 93.9 | Very high | 92.2 | Very high | 43 Ų | 43 | 109.1 Ų | 109.1 | 26% | 0.261 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.6 | 171.9 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | R107 V125 T126 | R107-V109 PolarHBondContact O-N 2.98Å; V109-V125 WeakPolarHBondContact O-CA 3.48Å; V109-T126 HydrophobicContact CB-CG2 3.86Å; V109-T126 PolarHBondContact N-O 3.28Å; V109-T126 PolarHBondContact O-N 2.88Å |
| 110 | S | 93.7 | Very high | 92.4 | Very high | 64 Ų | 64 | 103.7 Ų | 103.7 | 45% | 0.448 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.1 | 176.3 | 66.6 | 0 | 0 | 0 | 0 | 110.8 | N112 L124 | S110-N112 PolarHBondContact OG-ND2 2.75Å; S110-L124 CarbonylContact C-O 3.53Å; S110-L124 VanDerWaalsContact CA-O 3.29Å; S110-L124 WeakPolarHBondContact CA-O 3.43Å |
| 111 | V | 93.3 | Very high | 92.5 | Very high | 77 Ų | 77 | 104.3 Ų | 104.3 | 47% | 0.467 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.9 | 114.3 | 171.5 | -177 | 0 | 0 | 0 | 0 | 106.8 | I113 Q123 L124 | V111-I113 HydrophobicContact CG1-CD1 4.46Å; V111-Q123 WeakPolarHBondContact O-CA 3.38Å; V111-L124 HydrophobicContact CB-CB 4.36Å; V111-L124 PolarHBondContact N-O 2.78Å; V111-L124 PolarHBondContact O-N 2.8Å |
| 112 | N | 94.4 | Very high | 92.7 | Very high | 74 Ų | 74 | 102.3 Ų | 102.3 | 40% | 0.396 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 128.9 | -175.4 | -59.6 | -52.2 | 0 | 0 | 0 | 109.2 | S110 L120 T122 Q123 | S110-N112 PolarHBondContact OG-ND2 2.75Å; N112-L120 HydrophobicContact CB-CD1 3.68Å; N112-T122 WeakPolarHBondContact CA-O 3.44Å; N112-Q123 VanDerWaalsContact OD1-CG 3.32Å; N112-Q123 WeakPolarHBondContact OD1-CG 3.48Å; N112-Q123 PolarHBondContact OD1-NE2 3.23Å |
| 113 | I | 94.7 | Very high | 92.9 | Very high | 80 Ų | 80 | 96.6 Ų | 96.6 | 41% | 0.41 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122.1 | 170.3 | -61.8 | 90.3 | 0 | 0 | 0 | 106.6 | V111 L121 T122 | V111-I113 HydrophobicContact CG1-CD1 4.46Å; I113-L121 HydrophobicContact CG2-CB 4.46Å; I113-L121 HydrophobicContact CG2-CD1 4.45Å; I113-L121 WeakPolarHBondContact O-CB 3.47Å; I113-L121 PolarHBondContact O-N 3.4Å; I113-T122 HydrophobicContact CD1-CG2 4.09Å; I113-T122 PolarHBondContact N-O 2.8Å; I113-T122 PolarHBondContact O-N 3.11Å |
| 114 | V | 94.2 | Very high | 93.2 | Very high | 72 Ų | 72 | 93.6 Ų | 93.6 | 44% | 0.436 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 154 | -179.4 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | Q119 L120 | V114-Q119 CarbonylContact C-O 3.57Å; V114-Q119 WeakPolarHBondContact CA-O 3.3Å; V114-L120 HydrophobicContact CG1-CD1 4.45Å |
| 115 | N | 93.7 | Very high | 93.5 | Very high | 42 Ų | 42 | 85.4 Ų | 85.4 | 23% | 0.225 | 47% | 0.473 | C | S | . | . | trans | -84.7 | 179.5 | 172.6 | 72 | 7.9 | 0 | 0 | 0 | 112.2 | N117 N118 Q119 L121 | N115-N117 PolarHBondContact O-N 3.39Å; N115-N117 VanDerWaalsContact O-N 3.14Å; N115-N117 VanDerWaalsContact OD1-C 3.27Å; N115-N117 WeakPolarHBondContact OD1-CA 3.43Å; N115-N117 WeakPolarHBondContact OD1-CB 3.26Å; N115-N117 PolarHBondContact OD1-N 3.37Å; N115-N118 PolarHBondContact O-N 2.94Å; N115-N118 PolarHBondContact OD1-N 3.24Å; N115-N118 VanDerWaalsContact OD1-N 3.16Å; N115-Q119 PolarHBondContact N-O 3.18Å; N115-Q119 PolarHBondContact ND2-OE1 3.26Å; N115-Q119 WeakPolarHBondContact OD1-CB 3.32Å; N115-Q119 PolarHBondContact OD1-N 2.82Å; N115-L121 HydrophobicContact CB-CD1 3.89Å; N115-L121 HydrophobicContact CB-CD2 4.08Å; N115-L121 HydrophobicContact CB-CG 4Å | ||
| 116 | S | 95.1 | Very high | 93.7 | Very high | 119 Ų | 119 | 85.6 Ų | 85.6 | 83% | 0.832 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -25 | 176.5 | 56.5 | 0 | 0 | 0 | 0 | 114 | N118 | S116-N118 VanDerWaalsContact C-N 3.27Š|
| 117 | N | 94.2 | Very high | 93.7 | Very high | 118 Ų | 118 | 80.7 Ų | 80.7 | 63% | 0.631 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 14.3 | 178.7 | -57.9 | -13.4 | 0 | 0 | 0 | 111.8 | N115 Q119 | N115-N117 PolarHBondContact O-N 3.39Å; N115-N117 VanDerWaalsContact O-N 3.14Å; N115-N117 VanDerWaalsContact OD1-C 3.27Å; N115-N117 WeakPolarHBondContact OD1-CA 3.43Å; N115-N117 WeakPolarHBondContact OD1-CB 3.26Å; N115-N117 PolarHBondContact OD1-N 3.37Å; N117-Q119 HydrophobicContact CB-CG 4.26Å; N117-Q119 PolarHBondContact O-N 2.86Å |
| 118 | N | 91.2 | Very high | 93.6 | Very high | 135 Ų | 135 | 77.1 Ų | 77.1 | 72% | 0.722 | 45% | 0.447 | S | S | * | . | S | Bend | trans | 60.6 | 22.4 | -178.7 | -144.7 | 46.3 | 0 | 0 | 0 | 114.6 | N115 S116 | N115-N118 PolarHBondContact O-N 2.94Å; N115-N118 PolarHBondContact OD1-N 3.24Å; N115-N118 VanDerWaalsContact OD1-N 3.16Å; S116-N118 VanDerWaalsContact C-N 3.27Å |
| 119 | Q | 93.4 | Very high | 93.3 | Very high | 118 Ų | 118 | 77 Ų | 77 | 55% | 0.551 | 45% | 0.453 | S | S | * | . | trans | -87.1 | 137.9 | 175 | -56.5 | 173 | -38.1 | 0 | 0 | 110.1 | V114 N115 N117 L121 | V114-Q119 CarbonylContact C-O 3.57Å; V114-Q119 WeakPolarHBondContact CA-O 3.3Å; N115-Q119 PolarHBondContact N-O 3.18Å; N115-Q119 PolarHBondContact ND2-OE1 3.26Å; N115-Q119 WeakPolarHBondContact OD1-CB 3.32Å; N115-Q119 PolarHBondContact OD1-N 2.82Å; N117-Q119 HydrophobicContact CB-CG 4.26Å; N117-Q119 PolarHBondContact O-N 2.86Å; Q119-L121 PolarHBondContact O-N 2.72Å | ||
| 120 | L | 92.4 | Very high | 93.1 | Very high | 70 Ų | 70 | 76.6 Ų | 76.6 | 37% | 0.366 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 118.6 | 179.4 | -174.7 | 69.2 | 0 | 0 | 0 | 111.4 | N112 V114 Q123 | N112-L120 HydrophobicContact CB-CD1 3.68Å; V114-L120 HydrophobicContact CG1-CD1 4.45Å; L120-Q123 HydrophobicContact CD1-CB 4.16Å; L120-Q123 HydrophobicContact CD2-CB 3.98Å; L120-Q123 HydrophobicContact CG-CB 4.36Å |
| 121 | L | 93.1 | Very high | 93 | Very high | 96 Ų | 96 | 79.2 Ų | 79.2 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -45.4 | 176 | -63.7 | -179.7 | 0 | 0 | 0 | 112.1 | I113 N115 Q119 | I113-L121 HydrophobicContact CG2-CB 4.46Å; I113-L121 HydrophobicContact CG2-CD1 4.45Å; I113-L121 WeakPolarHBondContact O-CB 3.47Å; I113-L121 PolarHBondContact O-N 3.4Å; N115-L121 HydrophobicContact CB-CD1 3.89Å; N115-L121 HydrophobicContact CB-CD2 4.08Å; N115-L121 HydrophobicContact CB-CG 4Å; Q119-L121 PolarHBondContact O-N 2.72Å |
| 122 | T | 94.6 | Very high | 93 | Very high | 47 Ų | 47 | 82.1 Ų | 82.1 | 29% | 0.288 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 141.9 | -177.3 | -60.9 | 0 | 0 | 0 | 0 | 109.4 | N112 I113 R134 | N112-T122 WeakPolarHBondContact CA-O 3.44Å; I113-T122 HydrophobicContact CD1-CG2 4.09Å; I113-T122 PolarHBondContact N-O 2.8Å; I113-T122 PolarHBondContact O-N 3.11Å; T122-R134 CarbonylContact C-O 3.45Å; T122-R134 VanDerWaalsContact CA-O 3.28Å; T122-R134 WeakPolarHBondContact CA-O 3.38Å; T122-R134 WeakPolarHBondContact CG2-O 3.13Å |
| 123 | Q | 95.2 | Very high | 93 | Very high | 55 Ų | 55 | 81 Ų | 81 | 26% | 0.257 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 129.4 | -178.3 | 170.3 | 169.9 | 74.9 | 0 | 0 | 109.8 | V111 N112 L120 V125 A133 R134 | V111-Q123 WeakPolarHBondContact O-CA 3.38Å; N112-Q123 VanDerWaalsContact OD1-CG 3.32Å; N112-Q123 WeakPolarHBondContact OD1-CG 3.48Å; N112-Q123 PolarHBondContact OD1-NE2 3.23Å; L120-Q123 HydrophobicContact CD1-CB 4.16Å; L120-Q123 HydrophobicContact CD2-CB 3.98Å; L120-Q123 HydrophobicContact CG-CB 4.36Å; Q123-V125 HydrophobicContact CG-CG2 3.51Å; Q123-A133 WeakPolarHBondContact O-CA 3.29Å; Q123-R134 HydrophobicContact CB-CB 4.36Å; Q123-R134 PolarHBondContact N-O 2.82Å; Q123-R134 PolarHBondContact O-N 2.83Å |
| 124 | L | 94.4 | Very high | 92.9 | Very high | 60 Ų | 60 | 85.5 Ų | 85.5 | 31% | 0.314 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 119 | 170.1 | -59.8 | 175.3 | 0 | 0 | 0 | 107.6 | S110 V111 F131 A133 | S110-L124 CarbonylContact C-O 3.53Å; S110-L124 VanDerWaalsContact CA-O 3.29Å; S110-L124 WeakPolarHBondContact CA-O 3.43Å; V111-L124 HydrophobicContact CB-CB 4.36Å; V111-L124 PolarHBondContact N-O 2.78Å; V111-L124 PolarHBondContact O-N 2.8Å; L124-F131 HydrophobicContact CD2-CZ 3.96Å; L124-A133 HydrophobicContact CD2-CB 3.6Å |
| 125 | V | 94.8 | Very high | 92.8 | Very high | 29 Ų | 29 | 84.1 Ų | 84.1 | 18% | 0.176 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 127.9 | 178.6 | -171.4 | 0 | 0 | 0 | 0 | 109.2 | N108 V109 Q123 K132 | N108-V125 HydrophobicContact CB-CG1 4.23Å; V109-V125 WeakPolarHBondContact O-CA 3.48Å; Q123-V125 HydrophobicContact CG-CG2 3.51Å; V125-K132 HydrophobicContact CB-CB 4.5Å; V125-K132 PolarHBondContact N-O 3.19Å; V125-K132 PolarHBondContact O-N 3.37Å |
| 126 | T | 94.1 | Very high | 92.7 | Very high | 70 Ų | 70 | 89.9 Ų | 89.9 | 43% | 0.429 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 137 | 171.2 | -173 | 0 | 0 | 0 | 0 | 109.5 | N108 V109 | N108-T126 CarbonylContact C-O 3.54Å; N108-T126 VanDerWaalsContact CA-O 3.3Å; N108-T126 WeakPolarHBondContact CA-O 3.4Å; V109-T126 HydrophobicContact CB-CG2 3.86Å; V109-T126 PolarHBondContact N-O 3.28Å; V109-T126 PolarHBondContact O-N 2.88Å |
| 127 | G | 91.1 | Very high | 92.6 | Very high | 23 Ų | 23 | 88.5 Ų | 88.5 | 24% | 0.237 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | -174.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N108 S129 G130 | N108-G127 VanDerWaalsContact OD1-CA 3.32Å; N108-G127 WeakPolarHBondContact OD1-CA 2.95Å; G127-S129 PolarHBondContact O-N 3.21Å; G127-G130 PolarHBondContact N-O 3.17Å; G127-G130 VanDerWaalsContact N-O 3.12Å; G127-G130 PolarHBondContact O-N 3Å |
| 128 | S | 89.4 | Confident | 92.6 | Very high | 130 Ų | 130 | 86.1 Ų | 86.1 | 91% | 0.909 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28.2 | -179.4 | 54.6 | 0 | 0 | 0 | 0 | 113.5 | G130 | S128-G130 VanDerWaalsContact C-N 3.32Š|
| 129 | S | 88.2 | Confident | 92.8 | Very high | 95 Ų | 95 | 84 Ų | 84 | 66% | 0.664 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -6.1 | 178 | 64.3 | 0 | 0 | 0 | 0 | 114.2 | G127 | G127-S129 PolarHBondContact O-N 3.21Š|
| 130 | G | 90.8 | Very high | 92.8 | Very high | 34 Ų | 34 | 81.1 Ų | 81.1 | 35% | 0.351 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 120.4 | -162.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G127 S128 | G127-G130 PolarHBondContact N-O 3.17Å; G127-G130 VanDerWaalsContact N-O 3.12Å; G127-G130 PolarHBondContact O-N 3Å; S128-G130 VanDerWaalsContact C-N 3.32Å |
| 131 | F | 91.5 | Very high | 92.9 | Very high | 120 Ų | 120 | 83.1 Ų | 83.1 | 53% | 0.526 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131 | -173 | -178.8 | -96.9 | 0 | 0 | 0 | 111.1 | L124 A133 F138 | L124-F131 HydrophobicContact CD2-CZ 3.96Å; F131-A133 HydrophobicContact CE1-CB 4Å; F131-F138 AromaticContact CE1-CE2 3.85Å; F131-F138 HydrophobicContact CE1-CE2 3.85Å; F131-F138 AromaticContact CE1-CZ 3.91Å; F131-F138 HydrophobicContact CE1-CZ 3.91Å; F131-F138 HydrophobicContact CZ-CE2 4.26Å |
| 132 | K | 92.8 | Very high | 92.9 | Very high | 138 Ų | 138 | 80.6 Ų | 80.6 | 60% | 0.6 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 127.5 | 178.3 | -63.3 | -179.2 | -178.7 | 179.1 | 0 | 109.5 | V125 | V125-K132 HydrophobicContact CB-CB 4.5Å; V125-K132 PolarHBondContact N-O 3.19Å; V125-K132 PolarHBondContact O-N 3.37Å |
| 133 | A | 93.8 | Very high | 92.8 | Very high | 49 Ų | 49 | 85.8 Ų | 85.8 | 41% | 0.405 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 134.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q123 L124 F131 F138 | Q123-A133 WeakPolarHBondContact O-CA 3.29Å; L124-A133 HydrophobicContact CD2-CB 3.6Å; F131-A133 HydrophobicContact CE1-CB 4Å; A133-F138 HydrophobicContact CB-CD2 3.92Å; A133-F138 HydrophobicContact CB-CE2 4.22Å; A133-F138 HydrophobicContact CB-CG 4.4Å |
| 134 | R | 92.6 | Very high | 92.7 | Very high | 175 Ų | 175 | 87.8 Ų | 87.8 | 66% | 0.66 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 121.9 | 172.1 | 179.3 | -178.4 | 179.8 | -178.4 | 0.9 | 108.3 | T122 Q123 | T122-R134 CarbonylContact C-O 3.45Å; T122-R134 VanDerWaalsContact CA-O 3.28Å; T122-R134 WeakPolarHBondContact CA-O 3.38Å; T122-R134 WeakPolarHBondContact CG2-O 3.13Å; Q123-R134 HydrophobicContact CB-CB 4.36Å; Q123-R134 PolarHBondContact N-O 2.82Å; Q123-R134 PolarHBondContact O-N 2.83Å |
| 135 | G | 92.3 | Very high | 92.6 | Very high | 43 Ų | 43 | 87.2 Ų | 87.2 | 44% | 0.443 | 50% | 0.502 | S | S | . | . | S | Bend | trans | 179.3 | -178.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 136 | K | 92.2 | Very high | 92.5 | Very high | 163 Ų | 163 | 90 Ų | 90 | 71% | 0.709 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -75.6 | -27.9 | 177.8 | -66.2 | -174.9 | 175.3 | -173.4 | 0 | 113.4 | D152 | K136-D152 WeakPolarHBondContact O-CA 3.29Å; K136-D152 WeakPolarHBondContact O-CB 3.49Å |
| 137 | M | 93.4 | Very high | 92.5 | Very high | 90 Ų | 90 | 89.3 Ų | 89.3 | 44% | 0.443 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 137.9 | -177 | 179.8 | 51.4 | 148.4 | 0 | 0 | 109.5 | E139 A151 D152 | M137-E139 HydrophobicContact CE-CG 3.69Å; M137-E139 HydrophobicContact CG-CG 4.12Å; M137-E139 HydrophobicContact SD-CG 4.17Å; M137-A151 WeakPolarHBondContact CA-O 3.32Å; M137-A151 VanDerWaalsContact SD-O 3.38Å; M137-D152 HydrophobicContact SD-CB 3.82Å |
| 138 | F | 94.2 | Very high | 92.6 | Very high | 68 Ų | 68 | 91.3 Ų | 91.3 | 30% | 0.298 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 124 | 171.8 | 177.1 | -108 | 0 | 0 | 0 | 109 | F131 A133 V140 F149 S150 A151 | F131-F138 AromaticContact CE1-CE2 3.85Å; F131-F138 HydrophobicContact CE1-CE2 3.85Å; F131-F138 AromaticContact CE1-CZ 3.91Å; F131-F138 HydrophobicContact CE1-CZ 3.91Å; F131-F138 HydrophobicContact CZ-CE2 4.26Å; A133-F138 HydrophobicContact CB-CD2 3.92Å; A133-F138 HydrophobicContact CB-CE2 4.22Å; A133-F138 HydrophobicContact CB-CG 4.4Å; F138-V140 HydrophobicContact CD1-CG2 4.33Å; F138-V140 HydrophobicContact CE1-CG2 3.45Å; F138-V140 VanDerWaalsContact CE1-CG2 3.45Å; F138-V140 HydrophobicContact CZ-CG2 3.58Å; F138-F149 HydrophobicContact CD1-CD1 4.01Å; F138-F149 AromaticContact CD1-CE1 3.95Å; F138-F149 HydrophobicContact CD1-CE1 3.95Å; F138-F149 HydrophobicContact CE1-CD1 4.11Å; F138-F149 HydrophobicContact CE1-CE1 4.27Å; F138-S150 CarbonylContact O-C 3.53Å; F138-S150 WeakPolarHBondContact O-CA 3.46Å; F138-A151 PolarHBondContact N-O 3.33Å; F138-A151 PolarHBondContact O-N 3.21Å |
| 139 | E | 94.3 | Very high | 92.9 | Very high | 91 Ų | 91 | 88.6 Ų | 88.6 | 43% | 0.425 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.5 | 179.3 | -67.4 | -167.8 | 137.7 | 0 | 0 | 111.2 | M137 K141 L147 F149 | M137-E139 HydrophobicContact CE-CG 3.69Å; M137-E139 HydrophobicContact CG-CG 4.12Å; M137-E139 HydrophobicContact SD-CG 4.17Å; E139-K141 IonicContact OE1-NZ 3.26Å; E139-K141 WeakPolarHBondContact OE2-CE 3.33Å; E139-K141 IonicContact OE2-NZ 3.61Å; E139-K141 PolarHBondContact OE2-NZ 2.88Å; E139-L147 HydrophobicContact CB-CD1 4.37Å; E139-L147 HydrophobicContact CG-CD1 4.41Å; E139-F149 CarbonylContact C-O 3.52Å |
| 140 | V | 93.9 | Very high | 93.2 | Very high | 58 Ų | 58 | 84.4 Ų | 84.4 | 35% | 0.352 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 117.9 | 170 | -174.3 | 0 | 0 | 0 | 0 | 107.9 | F138 L148 F149 | F138-V140 HydrophobicContact CD1-CG2 4.33Å; F138-V140 HydrophobicContact CE1-CG2 3.45Å; F138-V140 VanDerWaalsContact CE1-CG2 3.45Å; F138-V140 HydrophobicContact CZ-CG2 3.58Å; V140-L148 WeakPolarHBondContact O-CB 3.22Å; V140-L148 PolarHBondContact O-N 2.99Å; V140-F149 HydrophobicContact CB-CB 4.17Å; V140-F149 HydrophobicContact CG2-CB 4.36Å; V140-F149 HydrophobicContact CG2-CD1 4.47Å; V140-F149 PolarHBondContact N-O 2.78Å; V140-F149 PolarHBondContact O-N 3.34Å |
| 141 | K | 94.4 | Very high | 93.5 | Very high | 112 Ų | 112 | 84 Ų | 84 | 49% | 0.487 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 146.9 | 177.5 | -67.2 | 175.4 | -176.2 | 162.3 | 0 | 110.1 | E139 K146 L147 | E139-K141 IonicContact OE1-NZ 3.26Å; E139-K141 WeakPolarHBondContact OE2-CE 3.33Å; E139-K141 IonicContact OE2-NZ 3.61Å; E139-K141 PolarHBondContact OE2-NZ 2.88Å; K141-K146 CarbonylContact C-O 3.44Å; K141-K146 VanDerWaalsContact CA-O 3.28Å; K141-K146 WeakPolarHBondContact CA-O 3.35Å; K141-L147 HydrophobicContact CG-CD1 4.3Å |
| 142 | S | 93 | Very high | 93.6 | Very high | 43 Ų | 43 | 80.9 Ų | 80.9 | 30% | 0.301 | 44% | 0.435 | S | S | . | . | trans | -63 | 164.6 | 167.6 | -176.2 | 0 | 0 | 0 | 0 | 110.6 | S144 G145 K146 | S142-S144 PolarHBondContact O-N 3.49Å; S142-S144 VanDerWaalsContact O-N 3.15Å; S142-S144 PolarHBondContact OG-OG 3.4Å; S142-G145 WeakPolarHBondContact O-CA 3.48Å; S142-G145 PolarHBondContact O-N 2.83Å; S142-K146 PolarHBondContact N-O 3.12Å | ||
| 143 | T | 92.4 | Very high | 93.6 | Very high | 155 Ų | 155 | 81.8 Ų | 81.8 | 95% | 0.951 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.5 | 173.2 | 52.2 | 0 | 0 | 0 | 0 | 113 | G145 | T143-G145 VanDerWaalsContact C-N 3.32Š|
| 144 | S | 93.3 | Very high | 93.5 | Very high | 98 Ų | 98 | 86.7 Ų | 86.7 | 69% | 0.685 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -2.6 | 173.1 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | S142 | S142-S144 PolarHBondContact O-N 3.49Å; S142-S144 VanDerWaalsContact O-N 3.15Å; S142-S144 PolarHBondContact OG-OG 3.4Å |
| 145 | G | 92.1 | Very high | 93.4 | Very high | 47 Ų | 47 | 84 Ų | 84 | 49% | 0.485 | 45% | 0.451 | S | S | . | . | S | Bend | trans | 88.7 | -4.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S142 T143 L147 | S142-G145 WeakPolarHBondContact O-CA 3.48Å; S142-G145 PolarHBondContact O-N 2.83Å; T143-G145 VanDerWaalsContact C-N 3.32Å; G145-L147 PolarHBondContact O-N 3.38Å |
| 146 | K | 93.6 | Very high | 93.4 | Very high | 89 Ų | 89 | 86.4 Ų | 86.4 | 39% | 0.387 | 46% | 0.456 | S | S | . | . | trans | -63.2 | 130.3 | 175.9 | -179.6 | 176.3 | 176.2 | 173.4 | 0 | 110.9 | K141 S142 L148 E161 | K141-K146 CarbonylContact C-O 3.44Å; K141-K146 VanDerWaalsContact CA-O 3.28Å; K141-K146 WeakPolarHBondContact CA-O 3.35Å; S142-K146 PolarHBondContact N-O 3.12Å; K146-L148 PolarHBondContact O-N 2.87Å; K146-E161 IonicContact NZ-OE1 3.94Å; K146-E161 PolarHBondContact NZ-OE1 2.9Å | ||
| 147 | L | 92.9 | Very high | 93.4 | Very high | 55 Ų | 55 | 81 Ų | 81 | 29% | 0.288 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 126 | 174.3 | -176.2 | 68.1 | 0 | 0 | 0 | 110.5 | E139 K141 G145 G159 | E139-L147 HydrophobicContact CB-CD1 4.37Å; E139-L147 HydrophobicContact CG-CD1 4.41Å; K141-L147 HydrophobicContact CG-CD1 4.3Å; G145-L147 PolarHBondContact O-N 3.38Å; L147-G159 WeakPolarHBondContact O-CA 3.36Å |
| 148 | L | 94.4 | Very high | 93.3 | Very high | 64 Ų | 64 | 79.9 Ų | 79.9 | 34% | 0.335 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -38.4 | 177.1 | -61.1 | 179.1 | 0 | 0 | 0 | 111.6 | V140 K146 G159 | V140-L148 WeakPolarHBondContact O-CB 3.22Å; V140-L148 PolarHBondContact O-N 2.99Å; K146-L148 PolarHBondContact O-N 2.87Å; L148-G159 PolarHBondContact O-N 3.15Å |
| 149 | F | 94.9 | Very high | 93 | Very high | 74 Ų | 74 | 77.9 Ų | 77.9 | 33% | 0.325 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 134.7 | 179.3 | -179.1 | -90.6 | 0 | 0 | 0 | 109.4 | F138 E139 V140 A151 V156 V157 V158 | F138-F149 HydrophobicContact CD1-CD1 4.01Å; F138-F149 AromaticContact CD1-CE1 3.95Å; F138-F149 HydrophobicContact CD1-CE1 3.95Å; F138-F149 HydrophobicContact CE1-CD1 4.11Å; F138-F149 HydrophobicContact CE1-CE1 4.27Å; E139-F149 CarbonylContact C-O 3.52Å; V140-F149 HydrophobicContact CB-CB 4.17Å; V140-F149 HydrophobicContact CG2-CB 4.36Å; V140-F149 HydrophobicContact CG2-CD1 4.47Å; V140-F149 PolarHBondContact N-O 2.78Å; V140-F149 PolarHBondContact O-N 3.34Å; F149-A151 HydrophobicContact CE1-CB 3.82Å; F149-A151 HydrophobicContact CZ-CB 4.09Å; F149-V156 HydrophobicContact CD2-CG1 4.45Å; F149-V156 HydrophobicContact CE2-CG1 3.56Å; F149-V156 HydrophobicContact CZ-CG1 3.69Å; F149-V157 CarbonylContact C-O 3.6Å; F149-V157 WeakPolarHBondContact CA-O 3.31Å; F149-V158 HydrophobicContact CD2-CG2 4.22Å; F149-V158 HydrophobicContact CE2-CG2 4.48Å |
| 150 | S | 95.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 75.8 Ų | 75.8 | 5% | 0.049 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 149.9 | 163.3 | 58.9 | 0 | 0 | 0 | 0 | 111.4 | F138 V156 V157 | F138-S150 CarbonylContact O-C 3.53Å; F138-S150 WeakPolarHBondContact O-CA 3.46Å; S150-V156 CarbonylContact O-C 3.6Å; S150-V156 WeakPolarHBondContact O-CA 3.37Å; S150-V157 PolarHBondContact N-O 2.98Å; S150-V157 PolarHBondContact O-N 3.48Å; S150-V157 WeakPolarHBondContact OG-CB 3.46Å |
| 151 | A | 95.4 | Very high | 91.9 | Very high | 26 Ų | 26 | 81 Ų | 81 | 22% | 0.215 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 128.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | M137 F138 F149 V156 | M137-A151 WeakPolarHBondContact CA-O 3.32Å; M137-A151 VanDerWaalsContact SD-O 3.38Å; F138-A151 PolarHBondContact N-O 3.33Å; F138-A151 PolarHBondContact O-N 3.21Å; F149-A151 HydrophobicContact CE1-CB 3.82Å; F149-A151 HydrophobicContact CZ-CB 4.09Å; A151-V156 HydrophobicContact CB-CG1 4.47Å; A151-V156 HydrophobicContact CB-CG2 3.99Å |
| 152 | D | 94.6 | Very high | 91.3 | Very high | 53 Ų | 53 | 85.7 Ų | 85.7 | 28% | 0.283 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | -163.2 | 171.3 | 59.3 | 34.4 | 0 | 0 | 0 | 110.9 | K136 M137 Q154 E155 | K136-D152 WeakPolarHBondContact O-CA 3.29Å; K136-D152 WeakPolarHBondContact O-CB 3.49Å; M137-D152 HydrophobicContact SD-CB 3.82Å; D152-Q154 VanDerWaalsContact C-N 3.28Å; D152-Q154 VanDerWaalsContact CG-OE1 3.29Å; D152-Q154 WeakPolarHBondContact OD1-CA 3.48Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.28Å; D152-Q154 PolarHBondContact OD1-N 2.83Å; D152-Q154 PolarHBondContact OD1-OE1 2.93Å; D152-Q154 VanDerWaalsContact OD1-OE1 3.13Å; D152-E155 PolarHBondContact N-O 2.88Å; D152-E155 VanDerWaalsContact N-O 3.08Å; D152-E155 PolarHBondContact OD1-N 3.06Å |
| 153 | E | 92.7 | Very high | 90.9 | Very high | 158 Ų | 158 | 89.6 Ų | 89.6 | 74% | 0.738 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -74.7 | -18.4 | -179.9 | -67.1 | -178.8 | 178.5 | 0 | 0 | 112.9 | ||
| 154 | Q | 91.8 | Very high | 90.4 | Very high | 151 Ų | 151 | 91.2 Ų | 91.2 | 71% | 0.706 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -101 | -44.7 | -172.2 | -64.5 | 78 | 12.9 | 0 | 0 | 111.7 | D152 | D152-Q154 VanDerWaalsContact C-N 3.28Å; D152-Q154 VanDerWaalsContact CG-OE1 3.29Å; D152-Q154 WeakPolarHBondContact OD1-CA 3.48Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.28Å; D152-Q154 PolarHBondContact OD1-N 2.83Å; D152-Q154 PolarHBondContact OD1-OE1 2.93Å; D152-Q154 VanDerWaalsContact OD1-OE1 3.13Å |
| 155 | E | 90.6 | Very high | 90 | Very high | 120 Ų | 120 | 90.5 Ų | 90.5 | 56% | 0.561 | 46% | 0.464 | S | S | * | . | trans | -150.3 | 165.1 | -173.1 | 65.1 | 177.7 | -173 | 0 | 0 | 114.2 | D152 V157 | D152-E155 PolarHBondContact N-O 2.88Å; D152-E155 VanDerWaalsContact N-O 3.08Å; D152-E155 PolarHBondContact OD1-N 3.06Å; E155-V157 HydrophobicContact CG-CG2 4.04Å | ||
| 156 | V | 91.7 | Very high | 89.3 | Confident | 93 Ų | 93 | 96.3 Ų | 96.3 | 56% | 0.564 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 119.4 | 169.9 | 178.6 | 0 | 0 | 0 | 0 | 107.4 | F149 S150 A151 | F149-V156 HydrophobicContact CD2-CG1 4.45Å; F149-V156 HydrophobicContact CE2-CG1 3.56Å; F149-V156 HydrophobicContact CZ-CG1 3.69Å; S150-V156 CarbonylContact O-C 3.6Å; S150-V156 WeakPolarHBondContact O-CA 3.37Å; A151-V156 HydrophobicContact CB-CG1 4.47Å; A151-V156 HydrophobicContact CB-CG2 3.99Å |
| 157 | V | 91.8 | Very high | 88.6 | Confident | 48 Ų | 48 | 94.2 Ų | 94.2 | 29% | 0.291 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.8 | -178.9 | -173 | 0 | 0 | 0 | 0 | 109.3 | F149 S150 E155 | F149-V157 CarbonylContact C-O 3.6Å; F149-V157 WeakPolarHBondContact CA-O 3.31Å; S150-V157 PolarHBondContact N-O 2.98Å; S150-V157 PolarHBondContact O-N 3.48Å; S150-V157 WeakPolarHBondContact OG-CB 3.46Å; E155-V157 HydrophobicContact CG-CG2 4.04Å |
| 158 | V | 92.3 | Very high | 87.9 | Confident | 67 Ų | 67 | 96.7 Ų | 96.7 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 104.7 | 174.1 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | F149 A160 L163 | F149-V158 HydrophobicContact CD2-CG2 4.22Å; F149-V158 HydrophobicContact CE2-CG2 4.48Å; V158-A160 VanDerWaalsContact C-N 3.34Å; V158-A160 HydrophobicContact CG1-CB 4.12Å; V158-L163 HydrophobicContact CG1-CD1 4.31Å |
| 159 | G | 87.1 | Confident | 87.3 | Confident | 27 Ų | 27 | 102.1 Ų | 102.1 | 28% | 0.278 | 54% | 0.536 | S | S | . | . | trans | -90.8 | 11.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L147 L148 | L147-G159 WeakPolarHBondContact O-CA 3.36Å; L148-G159 PolarHBondContact O-N 3.15Å | ||
| 160 | A | 84.3 | Confident | 86.7 | Confident | 46 Ų | 46 | 100.6 Ų | 100.6 | 38% | 0.38 | 54% | 0.541 | S | S | . | . | trans | -70.4 | 142.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V158 R162 | V158-A160 VanDerWaalsContact C-N 3.34Å; V158-A160 HydrophobicContact CG1-CB 4.12Å; A160-R162 PolarHBondContact O-N 3.47Å | ||
| 161 | E | 82.2 | Confident | 86.3 | Confident | 169 Ų | 169 | 102.5 Ų | 102.5 | 79% | 0.79 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -66.9 | -26 | 178.5 | -69.2 | 174.2 | -165.7 | 0 | 0 | 113.2 | K146 | K146-E161 IonicContact NZ-OE1 3.94Å; K146-E161 PolarHBondContact NZ-OE1 2.9Å |
| 162 | R | 81.6 | Confident | 85.8 | Confident | 209 Ų | 209 | 108 Ų | 108 | 79% | 0.789 | 59% | 0.588 | S | S | * | * | trans | -138.6 | 119.7 | 177.1 | -67.8 | -176.3 | 179.4 | 172.3 | -0.5 | 109.2 | A160 | A160-R162 PolarHBondContact O-N 3.47Š| ||
| 163 | L | 84.3 | Confident | 85.3 | Confident | 125 Ų | 125 | 112 Ų | 112 | 65% | 0.654 | 60% | 0.603 | S | S | * | * | trans | -101.7 | 122.4 | 168.9 | -179.1 | 60.6 | 0 | 0 | 0 | 108.8 | V158 | V158-L163 HydrophobicContact CG1-CD1 4.31Š| ||
| 164 | R | 81.7 | Confident | 84.8 | Confident | 189 Ų | 189 | 110.3 Ų | 110.3 | 71% | 0.713 | 61% | 0.609 | S | S | * | * | trans | -113.1 | 124.1 | 173.5 | -71.7 | -176.3 | 174.5 | 174.3 | -2.8 | 109.3 | M166 | R164-M166 HydrophobicContact CB-CG 4.48Š| ||
| 165 | V | 84.4 | Confident | 84.6 | Confident | 83 Ų | 83 | 111.7 Ų | 111.7 | 50% | 0.503 | 61% | 0.613 | S | S | . | * | trans | -99.6 | 107.7 | 173.4 | -176.8 | 0 | 0 | 0 | 0 | 107.8 | A171 | V165-A171 HydrophobicContact CG1-CB 3.91Å; V165-A171 HydrophobicContact CG2-CB 4.31Å | ||
| 166 | M | 77.9 | Confident | 84.4 | Confident | 169 Ų | 169 | 111.1 Ų | 111.1 | 83% | 0.833 | 62% | 0.622 | S | S | * | * | trans | -104.9 | 14.4 | -177.6 | -55 | -138.6 | -53.3 | 0 | 0 | 113.7 | R164 | R164-M166 HydrophobicContact CB-CG 4.48Š| ||
| 167 | G | 78.7 | Confident | 84.3 | Confident | 45 Ų | 45 | 110.8 Ų | 110.8 | 46% | 0.464 | 62% | 0.62 | S | S | . | * | trans | -61.9 | 140.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | E169 G170 | G167-E169 PolarHBondContact O-N 2.95Å; G167-G170 PolarHBondContact O-N 3.43Å | ||
| 168 | A | 78.3 | Confident | 84.2 | Confident | 107 Ų | 107 | 117.4 Ų | 117.4 | 88% | 0.884 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -33 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 169 | E | 81.3 | Confident | 84.1 | Confident | 179 Ų | 179 | 117.9 Ų | 117.9 | 84% | 0.836 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 5.4 | 176.8 | -57.1 | -58.6 | 142.4 | 0 | 0 | 113.3 | G167 | G167-E169 PolarHBondContact O-N 2.95Š|
| 170 | G | 83.5 | Confident | 84.3 | Confident | 42 Ų | 42 | 123.3 Ų | 123.3 | 43% | 0.433 | 68% | 0.681 | S | S | . | * | trans | 68.5 | -142.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G167 | G167-G170 PolarHBondContact O-N 3.43Š| ||
| 171 | A | 86.1 | Confident | 84.6 | Confident | 47 Ų | 47 | 127.2 Ų | 127.2 | 39% | 0.388 | 69% | 0.691 | S | S | . | * | trans | -121.6 | 135.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110 | V165 F173 | V165-A171 HydrophobicContact CG1-CB 3.91Å; V165-A171 HydrophobicContact CG2-CB 4.31Å; A171-F173 HydrophobicContact CB-CD2 4.43Å; A171-F173 HydrophobicContact CB-CE1 4.49Å; A171-F173 HydrophobicContact CB-CE2 3.65Å; A171-F173 HydrophobicContact CB-CZ 3.68Å | ||
| 172 | V | 84.7 | Confident | 85.1 | Confident | 140 Ų | 140 | 123.2 Ų | 123.2 | 85% | 0.848 | 68% | 0.678 | S | S | * | * | trans | -101.7 | 121.5 | 172.7 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 173 | F | 84.3 | Confident | 85.6 | Confident | 138 Ų | 138 | 122.8 Ų | 122.8 | 61% | 0.605 | 68% | 0.677 | S | S | * | * | trans | -104.2 | 117.1 | 175.3 | -56.9 | -85.7 | 0 | 0 | 0 | 108.6 | A171 K175 V177 | A171-F173 HydrophobicContact CB-CD2 4.43Å; A171-F173 HydrophobicContact CB-CE1 4.49Å; A171-F173 HydrophobicContact CB-CE2 3.65Å; A171-F173 HydrophobicContact CB-CZ 3.68Å; F173-K175 VanDerWaalsContact C-N 3.26Å; F173-K175 PolarHBondContact O-N 3.32Å; F173-V177 HydrophobicContact CB-CG2 3.63Å; F173-V177 HydrophobicContact CD1-CG2 3.45Å; F173-V177 VanDerWaalsContact CD1-CG2 3.45Å; F173-V177 HydrophobicContact CD2-CG2 3.76Å; F173-V177 HydrophobicContact CE1-CG2 3.99Å; F173-V177 HydrophobicContact CE2-CG2 4.26Å; F173-V177 HydrophobicContact CG-CG2 3.31Å; F173-V177 HydrophobicContact CZ-CG2 4.36Å | ||
| 174 | S | 82.6 | Confident | 85.9 | Confident | 123 Ų | 123 | 118.4 Ų | 118.4 | 86% | 0.86 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -76.8 | -14.5 | -179.1 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 175 | K | 87.2 | Confident | 86.2 | Confident | 180 Ų | 180 | 114.7 Ų | 114.7 | 78% | 0.783 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -129.3 | -169 | 179.9 | -64.9 | -174.7 | 178.8 | -180 | 0 | 109.5 | F173 | F173-K175 VanDerWaalsContact C-N 3.26Å; F173-K175 PolarHBondContact O-N 3.32Å |
| 176 | S | 87.2 | Confident | 86.3 | Confident | 108 Ų | 108 | 115.9 Ų | 115.9 | 76% | 0.755 | 66% | 0.659 | S | S | * | * | trans | -66.6 | 144.2 | 175.9 | -51 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 177 | V | 89.4 | Confident | 86.7 | Confident | 86 Ų | 86 | 118.4 Ų | 118.4 | 52% | 0.521 | 67% | 0.665 | S | S | . | * | trans | -110.4 | 121.7 | 166.5 | 179 | 0 | 0 | 0 | 0 | 107.3 | F173 | F173-V177 HydrophobicContact CB-CG2 3.63Å; F173-V177 HydrophobicContact CD1-CG2 3.45Å; F173-V177 VanDerWaalsContact CD1-CG2 3.45Å; F173-V177 HydrophobicContact CD2-CG2 3.76Å; F173-V177 HydrophobicContact CE1-CG2 3.99Å; F173-V177 HydrophobicContact CE2-CG2 4.26Å; F173-V177 HydrophobicContact CG-CG2 3.31Å; F173-V177 HydrophobicContact CZ-CG2 4.36Å | ||
| 178 | E | 89.2 | Confident | 87.2 | Confident | 187 Ų | 187 | 122.7 Ų | 122.7 | 87% | 0.874 | 67% | 0.671 | S | S | * | * | trans | -101 | 124.7 | 177.9 | -66.2 | -179.1 | -169.6 | 0 | 0 | 109.5 | ||||
| 179 | T | 90.8 | Very high | 87.7 | Confident | 76 Ų | 76 | 124.8 Ų | 124.8 | 47% | 0.466 | 66% | 0.662 | S | S | . | * | trans | -147.2 | 140.9 | 176.6 | 176 | 0 | 0 | 0 | 0 | 109.8 | H181 V182 | T179-H181 PolarHBondContact O-N 3.4Å; T179-H181 PolarHBondContact OG1-N 2.92Å; T179-H181 PolarHBondContact OG1-O 3.39Å; T179-V182 HydrophobicContact CG2-CG2 3.54Å | ||
| 180 | P | 90.1 | Very high | 88.2 | Confident | 142 Ų | 142 | 120.4 Ų | 120.4 | 92% | 0.922 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -68.4 | -21.8 | 176.5 | 28.3 | -36.1 | 0 | 0 | 0 | 112.8 | ||
| 181 | H | 91.8 | Very high | 88.5 | Confident | 127 Ų | 127 | 126.2 Ų | 126.2 | 59% | 0.588 | 65% | 0.653 | S | S | * | * | trans | -152.1 | 140.6 | -176.8 | -168.5 | 65.8 | 0 | 0 | 0 | 111.9 | T179 | T179-H181 PolarHBondContact O-N 3.4Å; T179-H181 PolarHBondContact OG1-N 2.92Å; T179-H181 PolarHBondContact OG1-O 3.39Å | ||
| 182 | V | 92.9 | Very high | 88.8 | Confident | 86 Ų | 86 | 128.9 Ų | 128.9 | 52% | 0.521 | 66% | 0.66 | S | S | . | * | trans | -121.4 | 122.6 | 173.4 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | T179 L190 | T179-V182 HydrophobicContact CG2-CG2 3.54Å; V182-L190 HydrophobicContact CG1-CD1 3.95Å; V182-L190 HydrophobicContact CG1-CD2 4.12Å | ||
| 183 | R | 91.9 | Very high | 89.1 | Confident | 200 Ų | 200 | 127.4 Ų | 127.4 | 76% | 0.755 | 64% | 0.644 | S | S | * | * | trans | -142.4 | 151.5 | 177.3 | 64.5 | 177.7 | -175.7 | -177.1 | 0.3 | 111 | ||||
| 184 | A | 91.1 | Very high | 89.3 | Confident | 33 Ų | 33 | 123 Ų | 123 | 27% | 0.273 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -77.4 | 167.7 | 167 | 0 | 0 | 0 | 0 | 0 | 111.9 | K188 L190 | A184-K188 VanDerWaalsContact CB-O 3.27Å; A184-K188 WeakPolarHBondContact CB-O 3.38Å; A184-L190 HydrophobicContact CB-CB 3.8Å |
| 185 | E | 86.4 | Confident | 89.4 | Confident | 111 Ų | 111 | 122.4 Ų | 122.4 | 52% | 0.519 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -68.2 | 155.6 | 168.7 | -62.2 | -174.9 | 152.9 | 0 | 0 | 110.8 | F187 K188 | E185-F187 PolarHBondContact O-N 2.83Å; E185-K188 HydrophobicContact CB-CB 4.35Å; E185-K188 HydrophobicContact CB-CD 4.09Å; E185-K188 HydrophobicContact CB-CG 4.29Å; E185-K188 PolarHBondContact O-N 3.16Å; E185-K188 WeakPolarHBondContact OE2-CD 3.46Å; E185-K188 VanDerWaalsContact OE2-CE 3.26Å; E185-K188 WeakPolarHBondContact OE2-CE 3.31Å; E185-K188 IonicContact OE2-NZ 2.69Å; E185-K188 PolarHBondContact OE2-NZ 2.95Å |
| 186 | P | 86.3 | Confident | 89.5 | Confident | 108 Ų | 108 | 119.8 Ų | 119.8 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | 135.5 | 173.6 | -25.7 | 34.7 | 0 | 0 | 0 | 111.3 | K188 | P186-K188 PolarHBondContact O-N 3.2Š|
| 187 | F | 86.8 | Confident | 89.6 | Confident | 221 Ų | 221 | 125.2 Ų | 125.2 | 97% | 0.969 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.2 | 12.1 | -178.7 | -43.7 | -78.1 | 0 | 0 | 0 | 115.4 | E185 | E185-F187 PolarHBondContact O-N 2.83Š|
| 188 | K | 89.3 | Confident | 89.6 | Confident | 135 Ų | 135 | 125.7 Ų | 125.7 | 59% | 0.587 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -114.2 | 147.8 | 170.1 | -63.3 | -168.2 | -177.4 | 167.3 | 0 | 110.4 | A184 E185 P186 | A184-K188 VanDerWaalsContact CB-O 3.27Å; A184-K188 WeakPolarHBondContact CB-O 3.38Å; E185-K188 HydrophobicContact CB-CB 4.35Å; E185-K188 HydrophobicContact CB-CD 4.09Å; E185-K188 HydrophobicContact CB-CG 4.29Å; E185-K188 PolarHBondContact O-N 3.16Å; E185-K188 WeakPolarHBondContact OE2-CD 3.46Å; E185-K188 VanDerWaalsContact OE2-CE 3.26Å; E185-K188 WeakPolarHBondContact OE2-CE 3.31Å; E185-K188 IonicContact OE2-NZ 2.69Å; E185-K188 PolarHBondContact OE2-NZ 2.95Å; P186-K188 PolarHBondContact O-N 3.2Å |
| 189 | E | 88.3 | Confident | 89.8 | Confident | 151 Ų | 151 | 121.4 Ų | 121.4 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | trans | -76.3 | 144 | 174 | 61.6 | 179.1 | -164.8 | 0 | 0 | 111.5 | R191 | E189-R191 PolarHBondContact O-N 2.95Š| ||
| 190 | L | 92.1 | Very high | 89.9 | Confident | 88 Ų | 88 | 124.6 Ų | 124.6 | 46% | 0.461 | 63% | 0.63 | S | S | . | * | trans | -86.7 | 103.9 | 166.4 | 178.6 | 61.9 | 0 | 0 | 0 | 108 | V182 A184 L192 | V182-L190 HydrophobicContact CG1-CD1 3.95Å; V182-L190 HydrophobicContact CG1-CD2 4.12Å; A184-L190 HydrophobicContact CB-CB 3.8Å; L190-L192 HydrophobicContact CD1-CD2 4.28Å; L190-L192 HydrophobicContact CG-CD2 4.47Å; L190-L192 HydrophobicContact CG-CG 4.4Å | ||
| 191 | R | 91 | Very high | 90 | Very high | 163 Ų | 163 | 122.8 Ų | 122.8 | 62% | 0.615 | 61% | 0.611 | S | S | * | * | trans | -99.4 | 115.9 | 178.2 | -173.6 | 169.1 | 168.9 | -179.3 | -7.5 | 110.2 | E189 E193 | E189-R191 PolarHBondContact O-N 2.95Å; R191-E193 HydrophobicContact CG-CB 4.42Å; R191-E193 HydrophobicContact CG-CG 4.47Å; R191-E193 IonicContact CZ-OE1 3.91Å; R191-E193 IonicContact CZ-OE2 3.38Å; R191-E193 VanDerWaalsContact NE-CD 3.25Å; R191-E193 IonicContact NE-OE1 3.58Å; R191-E193 IonicContact NE-OE2 2.73Å; R191-E193 PolarHBondContact NE-OE2 2.88Å; R191-E193 IonicContact NH2-OE1 3.51Å; R191-E193 PolarHBondContact NH2-OE1 3.14Å; R191-E193 IonicContact NH2-OE2 2.81Å; R191-E193 PolarHBondContact NH2-OE2 2.88Å | ||
| 192 | L | 92.3 | Very high | 90 | Very high | 103 Ų | 103 | 124.7 Ų | 124.7 | 54% | 0.539 | 62% | 0.62 | S | S | . | * | trans | -109.3 | 111.7 | 169.9 | -56.4 | 178.9 | 0 | 0 | 0 | 107.5 | L190 L199 | L190-L192 HydrophobicContact CD1-CD2 4.28Å; L190-L192 HydrophobicContact CG-CD2 4.47Å; L190-L192 HydrophobicContact CG-CG 4.4Å; L192-L199 HydrophobicContact CB-CD1 3.69Å | ||
| 193 | E | 90.4 | Very high | 89.9 | Confident | 109 Ų | 109 | 122.6 Ų | 122.6 | 51% | 0.509 | 61% | 0.611 | S | S | . | * | trans | -135.6 | 151.6 | -174.4 | 68.6 | 176.8 | 171.1 | 0 | 0 | 113.7 | R191 P195 | R191-E193 HydrophobicContact CG-CB 4.42Å; R191-E193 HydrophobicContact CG-CG 4.47Å; R191-E193 IonicContact CZ-OE1 3.91Å; R191-E193 IonicContact CZ-OE2 3.38Å; R191-E193 VanDerWaalsContact NE-CD 3.25Å; R191-E193 IonicContact NE-OE1 3.58Å; R191-E193 IonicContact NE-OE2 2.73Å; R191-E193 PolarHBondContact NE-OE2 2.88Å; R191-E193 IonicContact NH2-OE1 3.51Å; R191-E193 PolarHBondContact NH2-OE1 3.14Å; R191-E193 IonicContact NH2-OE2 2.81Å; R191-E193 PolarHBondContact NH2-OE2 2.88Å; E193-P195 HydrophobicContact CG-CG 4.41Å | ||
| 194 | S | 89.1 | Confident | 89.8 | Confident | 45 Ų | 45 | 120 Ų | 120 | 32% | 0.315 | 62% | 0.62 | S | S | . | * | trans | -133.5 | 90.9 | 172.3 | -175 | 0 | 0 | 0 | 0 | 108.5 | T196 S198 | S194-T196 PolarHBondContact O-N 3.3Å; S194-S198 VanDerWaalsContact CB-C 3.45Å; S194-S198 WeakPolarHBondContact CB-O 3.21Å; S194-S198 PolarHBondContact OG-N 3.48Å; S194-S198 PolarHBondContact OG-O 3.38Å | ||
| 195 | P | 85.1 | Confident | 89.7 | Confident | 111 Ų | 111 | 128.6 Ų | 128.6 | 72% | 0.721 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -65.7 | -24.6 | -174.1 | -24.4 | 34.8 | 0 | 0 | 0 | 114.3 | E193 | E193-P195 HydrophobicContact CG-CG 4.41Š|
| 196 | T | 88.1 | Confident | 89.8 | Confident | 125 Ų | 125 | 125.8 Ų | 125.8 | 77% | 0.767 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -113.4 | -18.2 | -169.6 | 56.7 | 0 | 0 | 0 | 0 | 114.4 | S194 | S194-T196 PolarHBondContact O-N 3.3Š|
| 197 | R | 89.3 | Confident | 90.1 | Very high | 223 Ų | 223 | 124.4 Ų | 124.4 | 84% | 0.842 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -138.2 | -124.7 | -172.8 | -63.6 | -175.5 | -179 | 177.3 | 0.4 | 109.8 | ||
| 198 | S | 90.7 | Very high | 90.4 | Very high | 96 Ų | 96 | 121.3 Ų | 121.3 | 67% | 0.671 | 63% | 0.627 | S | S | * | * | trans | -128.8 | 159 | -179.6 | 54.1 | 0 | 0 | 0 | 0 | 110 | S194 | S194-S198 VanDerWaalsContact CB-C 3.45Å; S194-S198 WeakPolarHBondContact CB-O 3.21Å; S194-S198 PolarHBondContact OG-N 3.48Å; S194-S198 PolarHBondContact OG-O 3.38Å | ||
| 199 | L | 92.4 | Very high | 90.6 | Very high | 97 Ų | 97 | 120.7 Ų | 120.7 | 51% | 0.508 | 63% | 0.629 | S | S | . | * | trans | -109.4 | 120.7 | 165.8 | -174.5 | 132.8 | 0 | 0 | 0 | 107 | L192 | L192-L199 HydrophobicContact CB-CD1 3.69Š| ||
| 200 | L | 92.3 | Very high | 90.8 | Very high | 143 Ų | 143 | 119.3 Ų | 119.3 | 75% | 0.749 | 63% | 0.626 | S | S | * | * | trans | -109.5 | 126.1 | 178.7 | 177.4 | 64.8 | 0 | 0 | 0 | 108.7 | ||||
| 201 | M | 91.8 | Very high | 90.7 | Very high | 104 Ų | 104 | 117.3 Ų | 117.3 | 51% | 0.512 | 62% | 0.622 | S | S | . | * | trans | -115.9 | 125.7 | 169.6 | -170.5 | 179.7 | -73.8 | 0 | 0 | 107.1 | I207 | M201-I207 HydrophobicContact CB-CD1 3.93Å; M201-I207 HydrophobicContact CG-CD1 3.65Å; M201-I207 HydrophobicContact CG-CG1 4.17Å; M201-I207 HydrophobicContact CG-CG2 4.4Å; M201-I207 WeakPolarHBondContact O-CD1 3.19Å; M201-I207 HydrophobicContact SD-CD1 4.2Å; M201-I207 HydrophobicContact SD-CG1 4.38Å; M201-I207 HydrophobicContact SD-CG2 3.54Å; M201-I207 VanDerWaalsContact SD-CG2 3.54Å | ||
| 202 | E | 91.9 | Very high | 90.5 | Very high | 167 Ų | 167 | 119.1 Ų | 119.1 | 78% | 0.78 | 64% | 0.637 | S | S | * | * | trans | -136 | 138.2 | -179.1 | -173.5 | 173.7 | -172.5 | 0 | 0 | 108.8 | ||||
| 203 | A | 91.8 | Very high | 90.1 | Very high | 41 Ų | 41 | 118.7 Ų | 118.7 | 34% | 0.339 | 65% | 0.648 | S | S | . | * | trans | -145.4 | 134.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111 | K205 G206 I207 | A203-K205 VanDerWaalsContact C-N 3.28Å; A203-K205 PolarHBondContact O-N 3.45Å; A203-G206 VanDerWaalsContact CB-O 3.22Å; A203-G206 WeakPolarHBondContact CB-O 3.45Å; A203-G206 PolarHBondContact O-N 2.86Å; A203-G206 VanDerWaalsContact O-N 3.12Å; A203-I207 HydrophobicContact CB-CG1 3.72Å | ||
| 204 | P | 89.3 | Confident | 89.9 | Confident | 146 Ų | 146 | 116.9 Ų | 116.9 | 95% | 0.948 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -32.3 | -177.9 | -23.7 | 32.4 | 0 | 0 | 0 | 114.4 | ||
| 205 | K | 89.4 | Confident | 89.9 | Confident | 213 Ų | 213 | 121 Ų | 121 | 93% | 0.926 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 7.7 | 180 | -66.5 | -170.8 | 177.3 | -176.4 | 0 | 113.2 | A203 | A203-K205 VanDerWaalsContact C-N 3.28Å; A203-K205 PolarHBondContact O-N 3.45Å |
| 206 | G | 88.6 | Confident | 90.2 | Very high | 52 Ų | 52 | 120.8 Ų | 120.8 | 54% | 0.536 | 67% | 0.669 | S | S | . | * | trans | 90.5 | 167.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A203 | A203-G206 VanDerWaalsContact CB-O 3.22Å; A203-G206 WeakPolarHBondContact CB-O 3.45Å; A203-G206 PolarHBondContact O-N 2.86Å; A203-G206 VanDerWaalsContact O-N 3.12Å | ||
| 207 | I | 93.1 | Very high | 90.4 | Very high | 80 Ų | 80 | 121.7 Ų | 121.7 | 41% | 0.41 | 67% | 0.665 | S | S | . | * | trans | -112.6 | 126.2 | -177.8 | -62.3 | 162.8 | 0 | 0 | 0 | 107.6 | M201 A203 I209 | M201-I207 HydrophobicContact CB-CD1 3.93Å; M201-I207 HydrophobicContact CG-CD1 3.65Å; M201-I207 HydrophobicContact CG-CG1 4.17Å; M201-I207 HydrophobicContact CG-CG2 4.4Å; M201-I207 WeakPolarHBondContact O-CD1 3.19Å; M201-I207 HydrophobicContact SD-CD1 4.2Å; M201-I207 HydrophobicContact SD-CG1 4.38Å; M201-I207 HydrophobicContact SD-CG2 3.54Å; M201-I207 VanDerWaalsContact SD-CG2 3.54Å; A203-I207 HydrophobicContact CB-CG1 3.72Å; I207-I209 HydrophobicContact CG2-CG1 4.07Å | ||
| 208 | Q | 93.3 | Very high | 90.5 | Very high | 156 Ų | 156 | 114.5 Ų | 114.5 | 73% | 0.729 | 65% | 0.653 | S | S | * | * | trans | -110.7 | 120.2 | 174.7 | -159.4 | -176 | 11.8 | 0 | 0 | 109.1 | L210 | Q208-L210 HydrophobicContact CG-CD1 4.09Å; Q208-L210 HydrophobicContact CG-CD2 4.22Å; Q208-L210 HydrophobicContact CG-CG 3.89Å | ||
| 209 | I | 92.5 | Very high | 90.5 | Very high | 122 Ų | 122 | 116.3 Ų | 116.3 | 63% | 0.626 | 65% | 0.654 | S | S | * | * | trans | -106.9 | 114 | 174.9 | -53 | 176.9 | 0 | 0 | 0 | 106.9 | I207 I216 | I207-I209 HydrophobicContact CG2-CG1 4.07Å; I209-I216 HydrophobicContact CG2-CD1 3.97Å | ||
| 210 | L | 91.8 | Very high | 90.4 | Very high | 122 Ų | 122 | 114.8 Ų | 114.8 | 64% | 0.639 | 65% | 0.65 | S | S | * | * | trans | -123 | 137.4 | -177.3 | -65.9 | 166.2 | 0 | 0 | 0 | 109.6 | Q208 | Q208-L210 HydrophobicContact CG-CD1 4.09Å; Q208-L210 HydrophobicContact CG-CD2 4.22Å; Q208-L210 HydrophobicContact CG-CG 3.89Å | ||
| 211 | A | 90.4 | Very high | 90.2 | Very high | 45 Ų | 45 | 120.3 Ų | 120.3 | 37% | 0.372 | 66% | 0.661 | S | S | . | * | trans | -118.9 | 97.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | A213 I216 | A211-A213 PolarHBondContact O-N 3.38Å; A211-I216 HydrophobicContact CB-CD1 4.2Å; A211-I216 HydrophobicContact CB-CG1 3.67Å | ||
| 212 | E | 87.5 | Confident | 89.9 | Confident | 202 Ų | 202 | 123 Ų | 123 | 94% | 0.944 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -62.7 | -33.4 | 178 | -68.7 | -174.2 | 166.2 | 0 | 0 | 111.9 | ||
| 213 | A | 84.1 | Confident | 89.7 | Confident | 93 Ų | 93 | 121.4 Ų | 121.4 | 77% | 0.769 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -135.6 | 133.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | A211 | A211-A213 PolarHBondContact O-N 3.38Š|
| 214 | G | 86.4 | Confident | 89.7 | Confident | 72 Ų | 72 | 124.3 Ų | 124.3 | 74% | 0.742 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 99.9 | -162.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 215 | D | 89.3 | Confident | 89.8 | Confident | 130 Ų | 130 | 125.2 Ų | 125.2 | 70% | 0.695 | 66% | 0.664 | S | S | * | * | trans | -118 | 152.6 | -178.7 | 60.4 | -37.6 | 0 | 0 | 0 | 112 | ||||
| 216 | I | 90.9 | Very high | 89.9 | Confident | 107 Ų | 107 | 120.3 Ų | 120.3 | 55% | 0.549 | 65% | 0.647 | S | S | . | * | trans | -97.1 | 114.4 | 166.8 | -61.2 | 172 | 0 | 0 | 0 | 106.7 | I209 A211 | I209-I216 HydrophobicContact CG2-CD1 3.97Å; A211-I216 HydrophobicContact CB-CD1 4.2Å; A211-I216 HydrophobicContact CB-CG1 3.67Å | ||
| 217 | Q | 91.7 | Very high | 90 | Very high | 144 Ų | 144 | 123.2 Ų | 123.2 | 67% | 0.673 | 65% | 0.647 | S | S | * | * | trans | -108.8 | 120.6 | 177.3 | -162.9 | -178.6 | 30.9 | 0 | 0 | 110.5 | I219 | Q217-I219 HydrophobicContact CG-CD1 4.18Å; Q217-I219 HydrophobicContact CG-CG1 3.86Å | ||
| 218 | A | 91.7 | Very high | 89.9 | Confident | 72 Ų | 72 | 121.9 Ų | 121.9 | 60% | 0.595 | 65% | 0.645 | S | S | * | * | trans | -109.4 | 117.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 219 | I | 91.1 | Very high | 89.7 | Confident | 135 Ų | 135 | 123 Ų | 123 | 69% | 0.692 | 65% | 0.647 | S | S | * | * | trans | -118.5 | 124.9 | 178.7 | -50.4 | 176.9 | 0 | 0 | 0 | 108.5 | Q217 | Q217-I219 HydrophobicContact CG-CD1 4.18Å; Q217-I219 HydrophobicContact CG-CG1 3.86Å | ||
| 220 | C | 89.1 | Confident | 89.5 | Confident | 64 Ų | 64 | 125.4 Ų | 125.4 | 43% | 0.432 | 66% | 0.661 | S | S | . | * | trans | -123.1 | 139.7 | 177.5 | -58.4 | 0 | 0 | 0 | 0 | 109.7 | E223 L224 | C220-E223 WeakPolarHBondContact CB-O 3.28Å; C220-L224 HydrophobicContact CB-CB 4.2Å | ||
| 221 | R | 88.6 | Confident | 89.2 | Confident | 260 Ų | 260 | 122.2 Ų | 122.2 | 98% | 0.981 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -77.6 | -37.3 | 178.2 | -176.9 | 177.6 | 174.1 | -175.1 | -1.4 | 112.7 | ||
| 222 | N | 86.7 | Confident | 89.1 | Confident | 160 Ų | 160 | 128.1 Ų | 128.1 | 86% | 0.856 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -114.3 | -64.4 | -172.8 | -161.3 | 51.2 | 0 | 0 | 0 | 111.8 | ||
| 223 | E | 87.1 | Confident | 89.2 | Confident | 134 Ų | 134 | 122.8 Ų | 122.8 | 63% | 0.626 | 66% | 0.655 | S | S | * | * | trans | -142.2 | 140.5 | -175.4 | -172.9 | -178.1 | 173.9 | 0 | 0 | 109.9 | C220 | C220-E223 WeakPolarHBondContact CB-O 3.28Š| ||
| 224 | L | 91.3 | Very high | 89.5 | Confident | 101 Ų | 101 | 122 Ų | 122 | 53% | 0.529 | 65% | 0.649 | S | S | . | * | trans | -112.1 | 112 | 164 | 175.3 | 65.5 | 0 | 0 | 0 | 107 | C220 | C220-L224 HydrophobicContact CB-CB 4.2Š| ||
| 225 | R | 90.6 | Very high | 89.8 | Confident | 165 Ų | 165 | 124.1 Ų | 124.1 | 62% | 0.623 | 64% | 0.642 | S | S | * | * | trans | -106.3 | 117.5 | 178.5 | -179.1 | 172.8 | 169.5 | 153.7 | -1.5 | 109.8 | E227 | R225-E227 IonicContact CZ-OE2 2.63Å; R225-E227 IonicContact NE-OE2 3.1Å; R225-E227 PolarHBondContact NE-OE2 2.87Å; R225-E227 VanDerWaalsContact NH2-CD 3.3Å; R225-E227 IonicContact NH2-OE1 2.61Å; R225-E227 PolarHBondContact NH2-OE1 3.27Å; R225-E227 IonicContact NH2-OE2 2.73Å; R225-E227 PolarHBondContact NH2-OE2 3.41Å | ||
| 226 | L | 91.9 | Very high | 89.8 | Confident | 110 Ų | 110 | 125.7 Ų | 125.7 | 58% | 0.576 | 65% | 0.651 | S | S | * | * | trans | -104.3 | 121.7 | 168.1 | -58.6 | 176.2 | 0 | 0 | 0 | 107.2 | I233 | L226-I233 HydrophobicContact CB-CD1 3.92Å; L226-I233 VanDerWaalsContact O-CD1 3.28Å; L226-I233 WeakPolarHBondContact O-CD1 3.29Å | ||
| 227 | E | 91.8 | Very high | 89.8 | Confident | 113 Ų | 113 | 123.4 Ų | 123.4 | 53% | 0.528 | 65% | 0.648 | S | S | . | * | trans | -135.4 | 132.2 | -175.4 | -179.5 | 176.1 | -179.1 | 0 | 0 | 110.2 | R225 | R225-E227 IonicContact CZ-OE2 2.63Å; R225-E227 IonicContact NE-OE2 3.1Å; R225-E227 PolarHBondContact NE-OE2 2.87Å; R225-E227 VanDerWaalsContact NH2-CD 3.3Å; R225-E227 IonicContact NH2-OE1 2.61Å; R225-E227 PolarHBondContact NH2-OE1 3.27Å; R225-E227 IonicContact NH2-OE2 2.73Å; R225-E227 PolarHBondContact NH2-OE2 3.41Å | ||
| 228 | S | 89.7 | Confident | 89.4 | Confident | 53 Ų | 53 | 125.9 Ų | 125.9 | 37% | 0.371 | 66% | 0.66 | S | S | . | * | trans | -117.9 | 123.7 | 171.3 | -167.7 | 0 | 0 | 0 | 0 | 108.2 | G231 E232 | S228-G231 WeakPolarHBondContact OG-CA 3.27Å; S228-G231 PolarHBondContact OG-N 2.83Å; S228-G231 PolarHBondContact OG-O 2.88Å; S228-E232 PolarHBondContact OG-N 2.89Å | ||
| 229 | K | 89.7 | Confident | 88.8 | Confident | 178 Ų | 178 | 130.9 Ų | 130.9 | 77% | 0.774 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -82.8 | -44.1 | -177 | -71.7 | -174.9 | 177.1 | -179.3 | 0 | 112.7 | ||
| 230 | D | 88.1 | Confident | 88.6 | Confident | 173 Ų | 173 | 128.9 Ų | 128.9 | 93% | 0.925 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -125.9 | 24.2 | -173.4 | -67.4 | -42.7 | 0 | 0 | 0 | 112 | ||
| 231 | G | 85.9 | Confident | 88 | Confident | 56 Ų | 56 | 133.6 Ų | 133.6 | 58% | 0.577 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -158.4 | -155.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | S228 | S228-G231 WeakPolarHBondContact OG-CA 3.27Å; S228-G231 PolarHBondContact OG-N 2.83Å; S228-G231 PolarHBondContact OG-O 2.88Å |
| 232 | E | 87.4 | Confident | 87.7 | Confident | 169 Ų | 169 | 126.7 Ų | 126.7 | 79% | 0.79 | 64% | 0.643 | S | S | * | * | trans | -117.8 | 162.5 | -179.3 | 63.3 | -176.7 | -164.4 | 0 | 0 | 111.7 | S228 | S228-E232 PolarHBondContact OG-N 2.89Š| ||
| 233 | I | 90.8 | Very high | 86.9 | Confident | 90 Ų | 90 | 126 Ų | 126 | 46% | 0.462 | 64% | 0.637 | S | S | . | * | trans | -109.3 | 106.3 | 170.2 | -58.8 | 173.5 | 0 | 0 | 0 | 106.4 | L226 | L226-I233 HydrophobicContact CB-CD1 3.92Å; L226-I233 VanDerWaalsContact O-CD1 3.28Å; L226-I233 WeakPolarHBondContact O-CD1 3.29Å | ||
| 234 | A | 90.8 | Very high | 86 | Confident | 77 Ų | 77 | 131.1 Ų | 131.1 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | trans | -97.3 | 125.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 235 | L | 91.4 | Very high | 84.7 | Confident | 115 Ų | 115 | 129.6 Ų | 129.6 | 60% | 0.602 | 64% | 0.643 | S | S | * | * | trans | -110.3 | 100.8 | 169.4 | -59.6 | 177.7 | 0 | 0 | 0 | 107.1 | I240 | L235-I240 HydrophobicContact CB-CD1 3.65Å; L235-I240 VanDerWaalsContact O-CD1 3.25Å; L235-I240 WeakPolarHBondContact O-CD1 3.46Å | ||
| 236 | D | 90.5 | Very high | 82.9 | Confident | 163 Ų | 163 | 126.9 Ų | 126.9 | 87% | 0.872 | 65% | 0.646 | S | S | * | * | trans | -105.4 | 106.4 | 179.1 | -174.8 | 7.8 | 0 | 0 | 0 | 110 | ||||
| 237 | A | 89.3 | Confident | 80.9 | Confident | 59 Ų | 59 | 130.3 Ų | 130.3 | 49% | 0.488 | 66% | 0.659 | S | S | . | * | trans | -156.6 | 151.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | R239 I240 | A237-R239 PolarHBondContact O-N 3.27Å; A237-R239 VanDerWaalsContact O-N 3.15Å; A237-I240 HydrophobicContact CB-CG1 4.11Å | ||
| 238 | Q | 84.8 | Confident | 78.9 | Confident | 197 Ų | 197 | 126.5 Ų | 126.5 | 92% | 0.921 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -57.5 | -32.3 | 175.7 | -168.3 | -176.3 | 21.2 | 0 | 0 | 112.4 | ||
| 239 | R | 79 | Confident | 76.9 | Confident | 177 Ų | 177 | 133.1 Ų | 133.1 | 67% | 0.668 | 67% | 0.672 | S | S | * | * | trans | -143.8 | 110.4 | -178.7 | -58.9 | -176.4 | 76 | 161.4 | 4.3 | 110.5 | A237 R241 | A237-R239 PolarHBondContact O-N 3.27Å; A237-R239 VanDerWaalsContact O-N 3.15Å; R239-R241 VanDerWaalsContact CZ-NH2 3.3Å | ||
| 240 | I | 85.5 | Confident | 75 | Confident | 92 Ų | 92 | 128.4 Ų | 128.4 | 47% | 0.472 | 67% | 0.667 | S | S | . | * | trans | -99.9 | 126.6 | 169.5 | -59.1 | 167.6 | 0 | 0 | 0 | 107.9 | L235 A237 | L235-I240 HydrophobicContact CB-CD1 3.65Å; L235-I240 VanDerWaalsContact O-CD1 3.25Å; L235-I240 WeakPolarHBondContact O-CD1 3.46Å; A237-I240 HydrophobicContact CB-CG1 4.11Å | ||
| 241 | R | 77 | Confident | 72.9 | Confident | 164 Ų | 164 | 123.2 Ų | 123.2 | 62% | 0.619 | 64% | 0.644 | S | S | * | * | trans | -120.2 | 113.7 | -179.6 | -67.8 | -177.2 | 179.3 | 160.2 | -1.3 | 110 | R239 M243 | R239-R241 VanDerWaalsContact CZ-NH2 3.3Å; R241-M243 HydrophobicContact CB-CG 4.48Å; R241-M243 HydrophobicContact CB-SD 4.3Å | ||
| 242 | L | 82.3 | Confident | 70.9 | Confident | 114 Ų | 114 | 126.7 Ų | 126.7 | 60% | 0.597 | 66% | 0.659 | S | S | * | * | trans | -99.9 | 94.2 | 168.8 | -63 | 171.6 | 0 | 0 | 0 | 107.5 | L245 | L242-L245 HydrophobicContact CB-CD1 3.45Å; L242-L245 VanDerWaalsContact CB-CD1 3.45Å; L242-L245 HydrophobicContact CB-CD2 3.95Å; L242-L245 HydrophobicContact CB-CG 3.63Å; L242-L245 HydrophobicContact CD1-CD1 3.97Å; L242-L245 HydrophobicContact CG-CD1 4.37Å | ||
| 243 | M | 70 | Confident | 68.7 | Low | 147 Ų | 147 | 123.2 Ų | 123.2 | 72% | 0.724 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 141.9 | -175.4 | -60.8 | -65.3 | -70.7 | 0 | 0 | 110.5 | R241 L245 | R241-M243 HydrophobicContact CB-CG 4.48Å; R241-M243 HydrophobicContact CB-SD 4.3Å; M243-L245 PolarHBondContact O-N 3.48Å |
| 244 | R | 68.8 | Low | 66.3 | Low | 241 Ų | 241 | 123.8 Ų | 123.8 | 91% | 0.909 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.2 | 33.4 | 177.8 | -54 | 178 | -69.3 | 167.5 | -2.2 | 113.4 | ||
| 245 | L | 63.2 | Low | 64.1 | Low | 69 Ų | 69 | 125 Ų | 125 | 36% | 0.361 | 67% | 0.67 | S | S | . | * | trans | -58.9 | 131.8 | 162.9 | -70.1 | 179.6 | 0 | 0 | 0 | 108.4 | L242 M243 E247 L274 | L242-L245 HydrophobicContact CB-CD1 3.45Å; L242-L245 VanDerWaalsContact CB-CD1 3.45Å; L242-L245 HydrophobicContact CB-CD2 3.95Å; L242-L245 HydrophobicContact CB-CG 3.63Å; L242-L245 HydrophobicContact CD1-CD1 3.97Å; L242-L245 HydrophobicContact CG-CD1 4.37Å; M243-L245 PolarHBondContact O-N 3.48Å; L245-E247 PolarHBondContact O-N 2.88Å; L245-E247 VanDerWaalsContact O-N 3.09Å; L245-L274 HydrophobicContact CD1-CD1 3.54Å; L245-L274 HydrophobicContact CD2-CD1 3.61Å; L245-L274 HydrophobicContact CG-CD1 4.08Å | ||
| 246 | P | 53.8 | Low | 61.6 | Low | 107 Ų | 107 | 124.9 Ų | 124.9 | 70% | 0.695 | 68% | 0.678 | S | S | * | * | trans | -56.5 | 118.1 | 173.3 | -21.9 | 31.9 | 0 | 0 | 0 | 109.2 | G248 | P246-G248 PolarHBondContact O-N 3.46Š| ||
| 247 | E | 49.1 | Very low | 59.7 | Low | 182 Ų | 182 | 123.2 Ų | 123.2 | 85% | 0.85 | 68% | 0.679 | S | S | * | * | trans | -72.7 | 113.5 | 176.2 | -70.5 | -179.3 | -179 | 0 | 0 | 109.2 | L245 K249 | L245-E247 PolarHBondContact O-N 2.88Å; L245-E247 VanDerWaalsContact O-N 3.09Å; E247-K249 PolarHBondContact O-N 3.17Å | ||
| 248 | G | 49.6 | Very low | 57.6 | Low | 33 Ų | 33 | 123.2 Ų | 123.2 | 34% | 0.34 | 69% | 0.685 | S | S | . | * | trans | -66 | 110.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | P246 A250 | P246-G248 PolarHBondContact O-N 3.46Å; G248-A250 PolarHBondContact O-N 3.42Å; G248-A250 VanDerWaalsContact O-N 3.14Å | ||
| 249 | K | 48.3 | Very low | 55.7 | Low | 193 Ų | 193 | 119.9 Ų | 119.9 | 84% | 0.839 | 68% | 0.679 | S | S | * | * | trans | -68.4 | 110.3 | 173 | -70.6 | -174.7 | 179.5 | 179.5 | 0 | 108.9 | E247 S251 | E247-K249 PolarHBondContact O-N 3.17Å; K249-S251 PolarHBondContact O-N 2.94Å | ||
| 250 | A | 50 | Low | 54.4 | Low | 79 Ų | 79 | 123.2 Ų | 123.2 | 65% | 0.653 | 69% | 0.691 | S | S | * | * | trans | -62.1 | 122.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | G248 S252 | G248-A250 PolarHBondContact O-N 3.42Å; G248-A250 VanDerWaalsContact O-N 3.14Å; A250-S252 PolarHBondContact O-N 3.34Å; A250-S252 VanDerWaalsContact O-N 3.08Å | ||
| 251 | S | 44.2 | Very low | 52.9 | Low | 64 Ų | 64 | 123.3 Ų | 123.3 | 45% | 0.448 | 69% | 0.69 | S | S | . | * | trans | -60.9 | 113.8 | 171.4 | 37 | 0 | 0 | 0 | 0 | 108.4 | K249 S253 N290 | K249-S251 PolarHBondContact O-N 2.94Å; S251-S253 PolarHBondContact O-N 3.3Å; S251-N290 PolarHBondContact OG-ND2 3.28Å | ||
| 252 | S | 44.1 | Very low | 51.9 | Low | 129 Ų | 129 | 121.4 Ų | 121.4 | 90% | 0.902 | 70% | 0.696 | S | S | * | * | trans | -70.5 | 80.5 | 177.6 | 57.6 | 0 | 0 | 0 | 0 | 109.7 | A250 | A250-S252 PolarHBondContact O-N 3.34Å; A250-S252 VanDerWaalsContact O-N 3.08Å | ||
| 253 | S | 41.1 | Very low | 50.8 | Low | 95 Ų | 95 | 120.4 Ų | 120.4 | 66% | 0.664 | 70% | 0.695 | S | S | * | * | trans | -104.4 | 106.8 | 164.6 | 57.6 | 0 | 0 | 0 | 0 | 109.6 | S251 | S251-S253 PolarHBondContact O-N 3.3Š| ||
| 254 | S | 40.5 | Very low | 50.8 | Low | 102 Ų | 102 | 119.3 Ų | 119.3 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | trans | 68.1 | 107.8 | 150.2 | 59.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 255 | S | 42.7 | Very low | 50.9 | Low | 104 Ų | 104 | 110 Ų | 110 | 73% | 0.727 | 65% | 0.65 | S | S | * | * | 77.7 | 123 | 121.7 | 64.1 | 0 | 0 | 0 | 0 | 121 | |||||
| 256 | S | 40.5 | Very low | 51.5 | Low | 111 Ų | 111 | 110.8 Ų | 110.8 | 78% | 0.776 | 66% | 0.658 | S | S | * | * | trans | 92.2 | 112.3 | 137.5 | 73 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 257 | S | 49 | Very low | 52.5 | Low | 128 Ų | 128 | 105.9 Ų | 105.9 | 90% | 0.895 | 63% | 0.626 | S | S | * | * | trans | 52.5 | 104.7 | 135.4 | -178.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 258 | G | 45.7 | Very low | 53.8 | Low | 60 Ų | 60 | 102.3 Ų | 102.3 | 62% | 0.619 | 62% | 0.617 | S | S | * | * | trans | 142.2 | 106 | 149.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 259 | T | 45.2 | Very low | 55 | Low | 127 Ų | 127 | 101 Ų | 101 | 78% | 0.779 | 60% | 0.602 | S | S | * | * | trans | 61.7 | 120 | 165.7 | 58.7 | 0 | 0 | 0 | 0 | 117.3 | Q261 | T259-Q261 VanDerWaalsContact C-N 3.27Å; T259-Q261 PolarHBondContact O-N 2.9Å | ||
| 260 | R | 52.6 | Low | 56.1 | Low | 247 Ų | 247 | 97.4 Ų | 97.4 | 93% | 0.932 | 60% | 0.598 | S | S | * | * | trans | -63.2 | 88.4 | 164.7 | -75.9 | -179 | 169.9 | 117.6 | -3.1 | 108.6 | T262 | R260-T262 PolarHBondContact O-N 2.88Š| ||
| 261 | Q | 53.6 | Low | 57 | Low | 94 Ų | 94 | 97 Ų | 97 | 44% | 0.439 | 59% | 0.585 | S | S | . | * | trans | -67 | 120.1 | 169 | -78.4 | -179.8 | -46.7 | 0 | 0 | 108.5 | T259 Y264 L278 | T259-Q261 VanDerWaalsContact C-N 3.27Å; T259-Q261 PolarHBondContact O-N 2.9Å; Q261-Y264 PolarHBondContact O-OH 2.92Å; Q261-L278 HydrophobicContact CB-CD2 4.18Å | ||
| 262 | T | 56.6 | Low | 58 | Low | 123 Ų | 123 | 96.6 Ų | 96.6 | 76% | 0.755 | 59% | 0.591 | S | S | * | * | trans | -96.2 | 0.5 | -176 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | R260 | R260-T262 PolarHBondContact O-N 2.88Š| ||
| 263 | V | 57.7 | Low | 59.1 | Low | 94 Ų | 94 | 97.1 Ų | 97.1 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | trans | -114.1 | 124.9 | -176.8 | -171.9 | 0 | 0 | 0 | 0 | 108.3 | A279 | V263-A279 HydrophobicContact CB-CB 4.05Å; V263-A279 HydrophobicContact CG1-CB 3.67Å; V263-A279 WeakPolarHBondContact O-CB 3.35Å; V263-A279 PolarHBondContact O-N 3.48Å; V263-A279 VanDerWaalsContact O-N 3.17Å | ||
| 264 | Y | 71.4 | Confident | 60.7 | Low | 123 Ų | 123 | 94.5 Ų | 94.5 | 48% | 0.482 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.2 | 143.4 | -179.6 | -60.7 | -88.6 | 0 | 0 | 0 | 109.4 | Q261 L276 S277 L278 | Q261-Y264 PolarHBondContact O-OH 2.92Å; Y264-L276 HydrophobicContact CD1-CB 4.27Å; Y264-S277 CarbonylContact C-O 3.53Å; Y264-S277 WeakPolarHBondContact CA-O 3.37Å; Y264-S277 WeakPolarHBondContact CB-O 3.45Å; Y264-L278 HydrophobicContact CD1-CD2 4.06Å; Y264-L278 HydrophobicContact CE1-CD2 3.59Å; Y264-L278 HydrophobicContact CE1-CG 4.49Å |
| 265 | E | 70.4 | Confident | 62.2 | Low | 45 Ų | 45 | 90.6 Ų | 90.6 | 21% | 0.21 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 136.1 | 166.4 | -68.6 | 176.8 | 169.3 | 0 | 0 | 109.1 | L276 S277 A279 T284 C285 | E265-L276 WeakPolarHBondContact O-CA 3.38Å; E265-S277 PolarHBondContact N-O 2.86Å; E265-S277 PolarHBondContact O-N 3.36Å; E265-A279 HydrophobicContact CG-CB 4.01Å; E265-T284 WeakPolarHBondContact OE2-CA 3.46Å; E265-T284 WeakPolarHBondContact OE2-CB 3.31Å; E265-T284 PolarHBondContact OE2-N 3.27Å; E265-T284 PolarHBondContact OE2-OG1 2.88Å; E265-C285 PolarHBondContact OE2-N 3.49Å |
| 266 | V | 75.1 | Confident | 63.5 | Low | 86 Ų | 86 | 91 Ų | 91 | 52% | 0.521 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 109.9 | 173.3 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | L274 L276 | V266-L274 HydrophobicContact CG1-CB 4.18Å; V266-L274 HydrophobicContact CG1-CD1 4.36Å; V266-L274 HydrophobicContact CG1-CD2 4.11Å; V266-L274 HydrophobicContact CG1-CG 4.46Å; V266-L276 HydrophobicContact CG2-CD2 3.9Å |
| 267 | C | 74.8 | Confident | 65.1 | Low | 4 Ų | 4 | 86.8 Ų | 86.8 | 3% | 0.027 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 136.8 | -177.2 | -53.7 | 0 | 0 | 0 | 0 | 110.5 | L274 F275 S277 C285 | C267-L274 WeakPolarHBondContact O-CA 3.15Å; C267-F275 HydrophobicContact CB-CD1 3.77Å; C267-F275 HydrophobicContact CB-CD2 4.11Å; C267-F275 HydrophobicContact CB-CE1 3.3Å; C267-F275 HydrophobicContact CB-CE2 3.67Å; C267-F275 HydrophobicContact CB-CG 4.16Å; C267-F275 HydrophobicContact CB-CZ 3.24Å; C267-F275 PolarHBondContact N-O 3.34Å; C267-F275 PolarHBondContact O-N 3.48Å; C267-S277 VanDerWaalsContact SG-CB 3.58Å; C267-C285 WeakPolarHBondContact CA-SG 3.34Å; C267-C285 HydrophobicContact CB-CB 3.71Å; C267-C285 WeakPolarHBondContact CB-SG 3.37Å; C267-C285 WeakPolarHBondContact SG-CA 3.29Å; C267-C285 WeakPolarHBondContact SG-CB 3.37Å; C267-C285 CovalentContact SG-SG 2.03Å; C267-C285 PolarHBondContact SG-SG 2.81Å |
| 268 | V | 77.3 | Confident | 66.2 | Low | 108 Ų | 108 | 85.1 Ų | 85.1 | 66% | 0.655 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.6 | 179.5 | -164.8 | 0 | 0 | 0 | 0 | 109.2 | L274 | V268-L274 HydrophobicContact CB-CD2 4.01Å; V268-L274 HydrophobicContact CG1-CD2 3.94Å; V268-L274 HydrophobicContact CG2-CD2 3.54Å |
| 269 | C | 73.6 | Confident | 67.3 | Low | 5 Ų | 5 | 83.4 Ų | 83.4 | 3% | 0.034 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 156.6 | 173.1 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | N271 G272 R273 F275 C292 | C269-N271 WeakPolarHBondContact CB-OD1 3.29Å; C269-N271 PolarHBondContact O-N 2.88Å; C269-N271 VanDerWaalsContact O-N 3.08Å; C269-G272 PolarHBondContact O-N 2.84Å; C269-R273 HydrophobicContact CB-CB 4.31Å; C269-R273 WeakPolarHBondContact CB-O 3.32Å; C269-R273 PolarHBondContact N-O 2.84Å; C269-F275 VanDerWaalsContact SG-CD1 3.53Å; C269-C292 HydrophobicContact CB-CB 3.55Å; C269-C292 WeakPolarHBondContact CB-SG 3.42Å; C269-C292 WeakPolarHBondContact SG-CA 3.36Å; C269-C292 WeakPolarHBondContact SG-CB 3.31Å; C269-C292 CovalentContact SG-SG 2.04Å; C269-C292 PolarHBondContact SG-SG 3.28Å |
| 270 | P | 71.6 | Confident | 68.4 | Low | 117 Ų | 117 | 79.6 Ų | 79.6 | 76% | 0.76 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.5 | 173.9 | -25.1 | 34.7 | 0 | 0 | 0 | 114.7 | G272 | P270-G272 VanDerWaalsContact C-N 3.32Š|
| 271 | N | 68.6 | Low | 69.3 | Low | 70 Ų | 70 | 73.7 Ų | 73.7 | 37% | 0.374 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 5.7 | 175.4 | 68.2 | 1.1 | 0 | 0 | 0 | 113.9 | C269 R273 C292 | C269-N271 WeakPolarHBondContact CB-OD1 3.29Å; C269-N271 PolarHBondContact O-N 2.88Å; C269-N271 VanDerWaalsContact O-N 3.08Å; N271-R273 VanDerWaalsContact C-N 3.35Å; N271-R273 PolarHBondContact O-N 2.86Å; N271-R273 WeakPolarHBondContact OD1-CB 3.35Å; N271-R273 WeakPolarHBondContact OD1-CG 3.34Å; N271-R273 PolarHBondContact OD1-N 3.4Å; N271-R273 VanDerWaalsContact OD1-N 3.13Å; N271-C292 PolarHBondContact ND2-O 3.28Å; N271-C292 VanDerWaalsContact ND2-O 3.13Å |
| 272 | G | 66.5 | Low | 69.9 | Low | 56 Ų | 56 | 71.4 Ų | 71.4 | 58% | 0.577 | 44% | 0.438 | S | S | * | . | S | Bend | trans | 82.9 | 0.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | C269 P270 | C269-G272 PolarHBondContact O-N 2.84Å; P270-G272 VanDerWaalsContact C-N 3.32Å |
| 273 | R | 66.7 | Low | 70.5 | Confident | 141 Ų | 141 | 70.1 Ų | 70.1 | 53% | 0.532 | 43% | 0.434 | S | S | . | . | trans | -73.4 | 140.9 | 173.9 | -66.9 | -176 | 179.2 | 178.9 | 2.6 | 111 | C269 N271 | C269-R273 HydrophobicContact CB-CB 4.31Å; C269-R273 WeakPolarHBondContact CB-O 3.32Å; C269-R273 PolarHBondContact N-O 2.84Å; N271-R273 VanDerWaalsContact C-N 3.35Å; N271-R273 PolarHBondContact O-N 2.86Å; N271-R273 WeakPolarHBondContact OD1-CB 3.35Å; N271-R273 WeakPolarHBondContact OD1-CG 3.34Å; N271-R273 PolarHBondContact OD1-N 3.4Å; N271-R273 VanDerWaalsContact OD1-N 3.13Å | ||
| 274 | L | 74.4 | Confident | 71.1 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 21% | 0.209 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 135.7 | 174 | -60 | 177.1 | 0 | 0 | 0 | 109.5 | L245 V266 C267 V268 | L245-L274 HydrophobicContact CD1-CD1 3.54Å; L245-L274 HydrophobicContact CD2-CD1 3.61Å; L245-L274 HydrophobicContact CG-CD1 4.08Å; V266-L274 HydrophobicContact CG1-CB 4.18Å; V266-L274 HydrophobicContact CG1-CD1 4.36Å; V266-L274 HydrophobicContact CG1-CD2 4.11Å; V266-L274 HydrophobicContact CG1-CG 4.46Å; C267-L274 WeakPolarHBondContact O-CA 3.15Å; V268-L274 HydrophobicContact CB-CD2 4.01Å; V268-L274 HydrophobicContact CG1-CD2 3.94Å; V268-L274 HydrophobicContact CG2-CD2 3.54Å |
| 275 | F | 71.3 | Confident | 71.1 | Confident | 19 Ų | 19 | 64.2 Ų | 64.2 | 8% | 0.083 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 154.4 | 172.3 | 73.2 | -86.5 | 0 | 0 | 0 | 111.2 | C267 C269 Q286 V291 C292 | C267-F275 HydrophobicContact CB-CD1 3.77Å; C267-F275 HydrophobicContact CB-CD2 4.11Å; C267-F275 HydrophobicContact CB-CE1 3.3Å; C267-F275 HydrophobicContact CB-CE2 3.67Å; C267-F275 HydrophobicContact CB-CG 4.16Å; C267-F275 HydrophobicContact CB-CZ 3.24Å; C267-F275 PolarHBondContact N-O 3.34Å; C267-F275 PolarHBondContact O-N 3.48Å; C269-F275 VanDerWaalsContact SG-CD1 3.53Å; F275-Q286 WeakPolarHBondContact CZ-O 3.28Å; F275-V291 HydrophobicContact CB-CG1 3.68Å; F275-V291 HydrophobicContact CD1-CG1 4.4Å; F275-V291 HydrophobicContact CG-CG1 4.22Å; F275-C292 VanDerWaalsContact CE1-SG 3.57Å |
| 276 | L | 71.8 | Confident | 71.1 | Confident | 112 Ų | 112 | 69.5 Ų | 69.5 | 59% | 0.586 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 126.9 | 177.7 | -63.6 | 172 | 0 | 0 | 0 | 109.2 | Y264 E265 V266 | Y264-L276 HydrophobicContact CD1-CB 4.27Å; E265-L276 WeakPolarHBondContact O-CA 3.38Å; V266-L276 HydrophobicContact CG2-CD2 3.9Å |
| 277 | S | 72.3 | Confident | 70.3 | Confident | 23 Ų | 23 | 71 Ų | 71 | 16% | 0.161 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 150.1 | 166.4 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | Y264 E265 C267 A279 T284 | Y264-S277 CarbonylContact C-O 3.53Å; Y264-S277 WeakPolarHBondContact CA-O 3.37Å; Y264-S277 WeakPolarHBondContact CB-O 3.45Å; E265-S277 PolarHBondContact N-O 2.86Å; E265-S277 PolarHBondContact O-N 3.36Å; C267-S277 VanDerWaalsContact SG-CB 3.58Å; S277-A279 PolarHBondContact O-N 3.19Å; S277-T284 WeakPolarHBondContact CB-OG1 3.32Å; S277-T284 WeakPolarHBondContact OG-CB 3.47Å; S277-T284 PolarHBondContact OG-O 2.82Å; S277-T284 PolarHBondContact OG-OG1 3.3Å |
| 278 | L | 73.9 | Confident | 69.7 | Low | 94 Ų | 94 | 73.7 Ų | 73.7 | 49% | 0.492 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 122.8 | 176.4 | -72 | 164.7 | 0 | 0 | 0 | 109.3 | Q261 Y264 G280 T284 | Q261-L278 HydrophobicContact CB-CD2 4.18Å; Y264-L278 HydrophobicContact CD1-CD2 4.06Å; Y264-L278 HydrophobicContact CE1-CD2 3.59Å; Y264-L278 HydrophobicContact CE1-CG 4.49Å; L278-G280 PolarHBondContact O-N 3.37Å; L278-T284 WeakPolarHBondContact O-CB 3.34Å; L278-T284 VanDerWaalsContact O-CG2 3.26Å; L278-T284 WeakPolarHBondContact O-CG2 3.21Å; L278-T284 PolarHBondContact O-OG1 2.82Å |
| 279 | A | 68.1 | Low | 69.1 | Low | 23 Ų | 23 | 73.2 Ų | 73.2 | 19% | 0.19 | 45% | 0.449 | C | S | . | . | trans | -66.8 | 131.9 | -177 | 0 | 0 | 0 | 0 | 0 | 111.8 | V263 E265 S277 | V263-A279 HydrophobicContact CB-CB 4.05Å; V263-A279 HydrophobicContact CG1-CB 3.67Å; V263-A279 WeakPolarHBondContact O-CB 3.35Å; V263-A279 PolarHBondContact O-N 3.48Å; V263-A279 VanDerWaalsContact O-N 3.17Å; E265-A279 HydrophobicContact CG-CB 4.01Å; S277-A279 PolarHBondContact O-N 3.19Å | ||
| 280 | G | 68.8 | Low | 68.7 | Low | 47 Ų | 47 | 78.9 Ų | 78.9 | 49% | 0.485 | 48% | 0.479 | S | S | . | . | trans | -120.4 | -169.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L278 G282 | L278-G280 PolarHBondContact O-N 3.37Å; G280-G282 PolarHBondContact O-N 2.79Å | ||
| 281 | A | 70.8 | Confident | 68.4 | Low | 123 Ų | 123 | 73.8 Ų | 73.8 | 100% | 1.017 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -71.1 | -8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 282 | G | 65.4 | Low | 68.2 | Low | 46 Ų | 46 | 71.1 Ų | 71.1 | 47% | 0.474 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -150 | 174.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | G280 T284 | G280-G282 PolarHBondContact O-N 2.79Å; G282-T284 WeakPolarHBondContact O-CG2 3.29Å; G282-T284 PolarHBondContact O-N 3.43Å |
| 283 | S | 69.2 | Low | 67.9 | Low | 97 Ų | 97 | 76.4 Ų | 76.4 | 68% | 0.678 | 45% | 0.447 | S | S | * | . | trans | -57.5 | 122.1 | -178.3 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 284 | T | 71.9 | Confident | 68 | Low | 41 Ų | 41 | 73.2 Ų | 73.2 | 25% | 0.252 | 44% | 0.442 | S | S | . | . | trans | -98.9 | 2.3 | 178.4 | 66.5 | 0 | 0 | 0 | 0 | 112.4 | E265 S277 L278 G282 Q286 | E265-T284 WeakPolarHBondContact OE2-CA 3.46Å; E265-T284 WeakPolarHBondContact OE2-CB 3.31Å; E265-T284 PolarHBondContact OE2-N 3.27Å; E265-T284 PolarHBondContact OE2-OG1 2.88Å; S277-T284 WeakPolarHBondContact CB-OG1 3.32Å; S277-T284 WeakPolarHBondContact OG-CB 3.47Å; S277-T284 PolarHBondContact OG-O 2.82Å; S277-T284 PolarHBondContact OG-OG1 3.3Å; L278-T284 WeakPolarHBondContact O-CB 3.34Å; L278-T284 VanDerWaalsContact O-CG2 3.26Å; L278-T284 WeakPolarHBondContact O-CG2 3.21Å; L278-T284 PolarHBondContact O-OG1 2.82Å; G282-T284 WeakPolarHBondContact O-CG2 3.29Å; G282-T284 PolarHBondContact O-N 3.43Å; T284-Q286 PolarHBondContact O-N 2.97Å | ||
| 285 | C | 70.9 | Confident | 67.6 | Low | 52 Ų | 52 | 74.9 Ų | 74.9 | 35% | 0.351 | 46% | 0.455 | S | S | . | . | trans | -67.9 | 80.7 | 174.3 | -70.3 | 0 | 0 | 0 | 0 | 111.8 | E265 C267 | E265-C285 PolarHBondContact OE2-N 3.49Å; C267-C285 WeakPolarHBondContact CA-SG 3.34Å; C267-C285 HydrophobicContact CB-CB 3.71Å; C267-C285 WeakPolarHBondContact CB-SG 3.37Å; C267-C285 WeakPolarHBondContact SG-CA 3.29Å; C267-C285 WeakPolarHBondContact SG-CB 3.37Å; C267-C285 CovalentContact SG-SG 2.03Å; C267-C285 PolarHBondContact SG-SG 2.81Å | ||
| 286 | Q | 69.7 | Low | 67.4 | Low | 156 Ų | 156 | 78.1 Ų | 78.1 | 73% | 0.729 | 48% | 0.475 | S | S | * | . | trans | -97.9 | 143.3 | 169 | -59.6 | -153.6 | -9.9 | 0 | 0 | 109.9 | F275 T284 N288 | F275-Q286 WeakPolarHBondContact CZ-O 3.28Å; T284-Q286 PolarHBondContact O-N 2.97Å; Q286-N288 PolarHBondContact O-N 3.38Å | ||
| 287 | I | 59.8 | Low | 67.2 | Low | 117 Ų | 117 | 76.1 Ų | 76.1 | 60% | 0.6 | 47% | 0.469 | S | S | * | . | trans | -61.2 | 102.3 | 178.4 | -67.4 | 161.3 | 0 | 0 | 0 | 108.2 | N289 C292 | I287-N289 PolarHBondContact O-N 2.76Å; I287-C292 HydrophobicContact CG2-CB 4.11Å | ||
| 288 | N | 62.2 | Low | 66.9 | Low | 61 Ų | 61 | 79.4 Ų | 79.4 | 33% | 0.326 | 49% | 0.488 | S | S | . | . | trans | -82.8 | 102.7 | 169.6 | -171.2 | -15.8 | 0 | 0 | 0 | 107.6 | Q286 N290 V291 C292 | Q286-N288 PolarHBondContact O-N 3.38Å; N288-N290 PolarHBondContact O-N 3.16Å; N288-N290 WeakPolarHBondContact OD1-CB 3.31Å; N288-N290 PolarHBondContact OD1-N 3.4Å; N288-N290 VanDerWaalsContact OD1-N 3.15Å; N288-V291 HydrophobicContact CB-CG2 4.45Å; N288-V291 PolarHBondContact O-N 2.75Å; N288-C292 WeakPolarHBondContact O-CB 3.31Å; N288-C292 PolarHBondContact O-N 3.16Å | ||
| 289 | N | 64 | Low | 66.4 | Low | 97 Ų | 97 | 78.4 Ų | 78.4 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -52.7 | -28.8 | 179.7 | -76.8 | -15.5 | 0 | 0 | 0 | 112.6 | I287 V291 L293 | I287-N289 PolarHBondContact O-N 2.76Å; N289-V291 VanDerWaalsContact C-N 3.28Å; N289-V291 PolarHBondContact O-N 3.02Å; N289-L293 HydrophobicContact CB-CD1 3.83Å; N289-L293 HydrophobicContact CB-CG 4.28Å; N289-L293 WeakPolarHBondContact O-CB 3.26Å; N289-L293 VanDerWaalsContact O-CD1 3.24Å; N289-L293 WeakPolarHBondContact O-CD1 2.92Å; N289-L293 WeakPolarHBondContact O-CG 3.42Å; N289-L293 PolarHBondContact O-N 3.1Å |
| 290 | N | 65.4 | Low | 66.3 | Low | 125 Ų | 125 | 82.4 Ų | 82.4 | 67% | 0.668 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -71.9 | -19.2 | 178.7 | -67.9 | -23 | 0 | 0 | 0 | 114.2 | S251 N288 | S251-N290 PolarHBondContact OG-ND2 3.28Å; N288-N290 PolarHBondContact O-N 3.16Å; N288-N290 WeakPolarHBondContact OD1-CB 3.31Å; N288-N290 PolarHBondContact OD1-N 3.4Å; N288-N290 VanDerWaalsContact OD1-N 3.15Å |
| 291 | V | 64.8 | Low | 66.1 | Low | 9 Ų | 9 | 85.1 Ų | 85.1 | 6% | 0.055 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -111.6 | -32.5 | -178 | -171.8 | 0 | 0 | 0 | 0 | 111.5 | F275 N288 N289 | F275-V291 HydrophobicContact CB-CG1 3.68Å; F275-V291 HydrophobicContact CD1-CG1 4.4Å; F275-V291 HydrophobicContact CG-CG1 4.22Å; N288-V291 HydrophobicContact CB-CG2 4.45Å; N288-V291 PolarHBondContact O-N 2.75Å; N289-V291 VanDerWaalsContact C-N 3.28Å; N289-V291 PolarHBondContact O-N 3.02Å |
| 292 | C | 64.6 | Low | 65.7 | Low | 14 Ų | 14 | 81.9 Ų | 81.9 | 10% | 0.095 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -95.4 | -6.4 | -176 | -63.1 | 0 | 0 | 0 | 0 | 115.6 | C269 N271 F275 I287 N288 | C269-C292 HydrophobicContact CB-CB 3.55Å; C269-C292 WeakPolarHBondContact CB-SG 3.42Å; C269-C292 WeakPolarHBondContact SG-CA 3.36Å; C269-C292 WeakPolarHBondContact SG-CB 3.31Å; C269-C292 CovalentContact SG-SG 2.04Å; C269-C292 PolarHBondContact SG-SG 3.28Å; N271-C292 PolarHBondContact ND2-O 3.28Å; N271-C292 VanDerWaalsContact ND2-O 3.13Å; F275-C292 VanDerWaalsContact CE1-SG 3.57Å; I287-C292 HydrophobicContact CG2-CB 4.11Å; N288-C292 WeakPolarHBondContact O-CB 3.31Å; N288-C292 PolarHBondContact O-N 3.16Å |
| 293 | L | 60.3 | Low | 65.7 | Low | 168 Ų | 168 | 85.2 Ų | 85.2 | 88% | 0.88 | 47% | 0.468 | S | S | * | . | trans | -79.5 | 0 | 167.6 | -73.6 | 168.6 | 0 | 0 | 0 | 111.6 | N289 | N289-L293 HydrophobicContact CB-CD1 3.83Å; N289-L293 HydrophobicContact CB-CG 4.28Å; N289-L293 WeakPolarHBondContact O-CB 3.26Å; N289-L293 VanDerWaalsContact O-CD1 3.24Å; N289-L293 WeakPolarHBondContact O-CD1 2.92Å; N289-L293 WeakPolarHBondContact O-CG 3.42Å; N289-L293 PolarHBondContact O-N 3.1Å |
Retrieved 293 of 293 residues in 124.1 ms
(Link to these results)