| 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 | 48 | Very low | 52 | Low | 248 Ų | 248 | 144.6 Ų | 144.6 | 100% | 1.222 | 87% | 0.865 | S | S | * | * | 0 | 124 | 0 | -125.5 | 165.1 | -179.5 | 0 | 0 | 107.3 | |||||
| 2 | V | 44.2 | Very low | 52.1 | Low | 147 Ų | 147 | 139.1 Ų | 139.1 | 89% | 0.891 | 86% | 0.86 | S | S | * | * | trans | -101 | 128.1 | -174.8 | 180 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3 | M | 46.5 | Very low | 52.3 | Low | 184 Ų | 184 | 133.5 Ų | 133.5 | 91% | 0.906 | 85% | 0.847 | S | S | * | * | trans | -75.4 | 124.3 | 176.1 | -73.4 | -65.7 | -161.2 | 0 | 0 | 110.7 | A5 | M3-A5 PolarHBondContact O-N 3.39Š| ||
| 4 | A | 49.3 | Very low | 52.2 | Low | 99 Ų | 99 | 129.5 Ų | 129.5 | 82% | 0.818 | 84% | 0.843 | S | S | * | * | trans | -80.7 | 111.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | K6 | A4-K6 PolarHBondContact O-N 2.96Š| ||
| 5 | A | 55.8 | Low | 52.4 | Low | 99 Ų | 99 | 129.9 Ų | 129.9 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | trans | -70.3 | 109.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | M3 K7 | M3-A5 PolarHBondContact O-N 3.39Å; A5-K7 PolarHBondContact O-N 3.26Å | ||
| 6 | K | 58.4 | Low | 52.6 | Low | 207 Ų | 207 | 127.6 Ų | 127.6 | 90% | 0.9 | 83% | 0.83 | S | S | * | * | trans | -71.9 | 93.2 | -179.5 | -172.3 | 174.5 | -179.1 | 177.1 | 0 | 111 | A4 G8 | A4-K6 PolarHBondContact O-N 2.96Å; K6-G8 PolarHBondContact O-N 2.92Å | ||
| 7 | K | 56.9 | Low | 53.1 | Low | 205 Ų | 205 | 122.7 Ų | 122.7 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -58 | 118.1 | 177 | -170.4 | 173.5 | -176.5 | 176.2 | 0 | 110.6 | A5 | A5-K7 PolarHBondContact O-N 3.26Š|
| 8 | G | 54.3 | Low | 54.1 | Low | 56 Ų | 56 | 118.4 Ų | 118.4 | 58% | 0.577 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73 | 161.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K6 | K6-G8 PolarHBondContact O-N 2.92Š|
| 9 | P | 55.6 | Low | 55.2 | Low | 137 Ų | 137 | 119.9 Ų | 119.9 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66 | 134.3 | 174.4 | -16.1 | 30.7 | 0 | 0 | 0 | 111.2 | ||
| 10 | G | 48.9 | Very low | 56.4 | Low | 64 Ų | 64 | 117 Ų | 117 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 153.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | G12 | G10-G12 VanDerWaalsContact C-N 3.31Å; G10-G12 PolarHBondContact O-N 3.18Å |
| 11 | P | 54.3 | Low | 57.6 | Low | 145 Ų | 145 | 118.3 Ų | 118.3 | 94% | 0.942 | 76% | 0.763 | S | S | * | * | trans | -76.7 | 76.1 | 179.5 | 32.5 | -35.8 | 0 | 0 | 0 | 111.8 | ||||
| 12 | G | 52.8 | Low | 59.1 | Low | 78 Ų | 78 | 109.5 Ų | 109.5 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -104 | 105.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G10 | G10-G12 VanDerWaalsContact C-N 3.31Å; G10-G12 PolarHBondContact O-N 3.18Å | ||
| 13 | G | 54.6 | Low | 61.1 | Low | 67 Ų | 67 | 108.3 Ų | 108.3 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | trans | 166.6 | 23.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 14 | G | 50.9 | Low | 63 | Low | 77 Ų | 77 | 102.4 Ų | 102.4 | 79% | 0.794 | 70% | 0.695 | S | S | * | * | trans | -92.9 | -1.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 15 | V | 55.2 | Low | 64.8 | Low | 136 Ų | 136 | 99.7 Ų | 99.7 | 82% | 0.824 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -107.2 | -23.8 | -165 | -174.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 16 | S | 56 | Low | 66.3 | Low | 93 Ų | 93 | 96.1 Ų | 96.1 | 65% | 0.65 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76.5 | -38.1 | -179.9 | 45.7 | 0 | 0 | 0 | 0 | 113.4 | K19 A20 | S16-K19 PolarHBondContact O-N 2.65Å; S16-A20 PolarHBondContact O-N 3.39Å |
| 17 | G | 60.3 | Low | 67.9 | Low | 44 Ų | 44 | 91.6 Ų | 91.6 | 45% | 0.454 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -59.8 | -54.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K19 A20 E21 | G17-K19 PolarHBondContact O-N 2.99Å; G17-K19 VanDerWaalsContact O-N 3.13Å; G17-A20 PolarHBondContact O-N 3.28Å; G17-E21 PolarHBondContact O-N 3.4Å |
| 18 | G | 71.9 | Confident | 69.6 | Low | 45 Ų | 45 | 86 Ų | 86 | 46% | 0.464 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.3 | -24.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A22 | G18-A22 VanDerWaalsContact O-CB 3.26Å; G18-A22 WeakPolarHBondContact O-CB 3.26Å; G18-A22 PolarHBondContact O-N 3.43Å; G18-A22 VanDerWaalsContact O-N 3.09Å |
| 19 | K | 74.6 | Confident | 71.5 | Confident | 147 Ų | 147 | 86.2 Ų | 86.2 | 64% | 0.639 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.6 | -48.3 | 172.4 | -171.1 | -169.3 | 171.1 | -165.7 | 0 | 111.2 | S16 G17 E21 A22 E23 | S16-K19 PolarHBondContact O-N 2.65Å; G17-K19 PolarHBondContact O-N 2.99Å; G17-K19 VanDerWaalsContact O-N 3.13Å; K19-E21 VanDerWaalsContact C-N 3.33Å; K19-A22 PolarHBondContact O-N 3.2Å; K19-E23 WeakPolarHBondContact O-CB 3.37Å; K19-E23 PolarHBondContact O-N 2.86Å |
| 20 | A | 78.6 | Confident | 73.2 | Confident | 62 Ų | 62 | 80.6 Ų | 80.6 | 51% | 0.512 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.7 | -37.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S16 G17 E23 A24 | S16-A20 PolarHBondContact O-N 3.39Å; G17-A20 PolarHBondContact O-N 3.28Å; A20-E23 PolarHBondContact O-N 3.05Å; A20-A24 WeakPolarHBondContact O-CB 3.22Å; A20-A24 PolarHBondContact O-N 2.66Å |
| 21 | E | 82.3 | Confident | 75.3 | Confident | 145 Ų | 145 | 84.3 Ų | 84.3 | 68% | 0.678 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.9 | -46.1 | 174.8 | -171.1 | 178.9 | 170.6 | 0 | 0 | 112 | G17 K19 E23 A24 A25 | G17-E21 PolarHBondContact O-N 3.4Å; K19-E21 VanDerWaalsContact C-N 3.33Å; E21-E23 VanDerWaalsContact C-N 3.32Å; E21-E23 PolarHBondContact O-N 3.07Å; E21-A24 PolarHBondContact O-N 2.9Å; E21-A25 WeakPolarHBondContact O-CB 3.33Å; E21-A25 PolarHBondContact O-N 3.15Å |
| 22 | A | 80.8 | Confident | 77.2 | Confident | 62 Ų | 62 | 82.2 Ų | 82.2 | 51% | 0.512 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -34.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G18 K19 S26 | G18-A22 VanDerWaalsContact O-CB 3.26Å; G18-A22 WeakPolarHBondContact O-CB 3.26Å; G18-A22 PolarHBondContact O-N 3.43Å; G18-A22 VanDerWaalsContact O-N 3.09Å; K19-A22 PolarHBondContact O-N 3.2Å; A22-S26 WeakPolarHBondContact O-CB 3.34Å; A22-S26 PolarHBondContact O-N 2.89Å |
| 23 | E | 84.4 | Confident | 79.2 | Confident | 123 Ų | 123 | 78.5 Ų | 78.5 | 58% | 0.575 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.5 | -47.6 | 175.8 | -166 | 167.2 | 154.3 | 0 | 0 | 111 | K19 A20 E21 A25 S26 E27 | K19-E23 WeakPolarHBondContact O-CB 3.37Å; K19-E23 PolarHBondContact O-N 2.86Å; A20-E23 PolarHBondContact O-N 3.05Å; E21-E23 VanDerWaalsContact C-N 3.32Å; E21-E23 PolarHBondContact O-N 3.07Å; E23-A25 PolarHBondContact O-N 2.71Å; E23-S26 WeakPolarHBondContact O-CB 3.49Å; E23-S26 PolarHBondContact O-N 3.31Å; E23-S26 VanDerWaalsContact O-N 3.11Å; E23-S26 PolarHBondContact O-OG 2.64Å; E23-E27 PolarHBondContact O-N 2.84Å |
| 24 | A | 86.3 | Confident | 81 | Confident | 60 Ų | 60 | 81.5 Ų | 81.5 | 50% | 0.496 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A20 E21 S26 E27 V28 | A20-A24 WeakPolarHBondContact O-CB 3.22Å; A20-A24 PolarHBondContact O-N 2.66Å; E21-A24 PolarHBondContact O-N 2.9Å; A24-S26 VanDerWaalsContact C-N 3.27Å; A24-S26 PolarHBondContact O-N 3.27Å; A24-E27 WeakPolarHBondContact O-CB 3.31Å; A24-E27 PolarHBondContact O-N 3.44Å; A24-E27 VanDerWaalsContact O-N 3.15Å; A24-V28 PolarHBondContact O-N 3.05Å |
| 25 | A | 87.8 | Confident | 83 | Confident | 41 Ų | 41 | 82.3 Ų | 82.3 | 34% | 0.339 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.7 | -39.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E21 E23 E27 V28 W29 | E21-A25 WeakPolarHBondContact O-CB 3.33Å; E21-A25 PolarHBondContact O-N 3.15Å; E23-A25 PolarHBondContact O-N 2.71Å; A25-E27 VanDerWaalsContact C-N 3.3Å; A25-E27 PolarHBondContact O-N 2.86Å; A25-V28 WeakPolarHBondContact O-CB 3.42Å; A25-V28 PolarHBondContact O-N 3.35Å; A25-W29 PolarHBondContact O-N 2.68Å; A25-W29 VanDerWaalsContact O-N 3.08Å |
| 26 | S | 88.2 | Confident | 84.8 | Confident | 25 Ų | 25 | 77 Ų | 77 | 18% | 0.175 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64 | -31.3 | 176.2 | 86.2 | 0 | 0 | 0 | 0 | 113.4 | A22 E23 A24 W29 C30 | A22-S26 WeakPolarHBondContact O-CB 3.34Å; A22-S26 PolarHBondContact O-N 2.89Å; E23-S26 WeakPolarHBondContact O-CB 3.49Å; E23-S26 PolarHBondContact O-N 3.31Å; E23-S26 VanDerWaalsContact O-N 3.11Å; E23-S26 PolarHBondContact O-OG 2.64Å; A24-S26 VanDerWaalsContact C-N 3.27Å; A24-S26 PolarHBondContact O-N 3.27Å; S26-W29 PolarHBondContact O-N 2.67Å; S26-C30 PolarHBondContact O-N 3.06Å; S26-C30 PolarHBondContact O-SG 3.07Å |
| 27 | E | 90.8 | Very high | 86.4 | Confident | 111 Ų | 111 | 72.9 Ų | 72.9 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 173.3 | -159.6 | -149.3 | 130.8 | 0 | 0 | 111.4 | E23 A24 A25 W29 C30 R31 | E23-E27 PolarHBondContact O-N 2.84Å; A24-E27 WeakPolarHBondContact O-CB 3.31Å; A24-E27 PolarHBondContact O-N 3.44Å; A24-E27 VanDerWaalsContact O-N 3.15Å; A25-E27 VanDerWaalsContact C-N 3.3Å; A25-E27 PolarHBondContact O-N 2.86Å; E27-W29 VanDerWaalsContact C-N 3.31Å; E27-W29 PolarHBondContact O-N 3.27Å; E27-C30 WeakPolarHBondContact O-CB 3.42Å; E27-C30 PolarHBondContact O-N 3.42Å; E27-C30 VanDerWaalsContact O-N 3.14Å; E27-R31 PolarHBondContact O-N 3Å; E27-R31 IonicContact OE1-CZ 2.87Å; E27-R31 IonicContact OE1-NH2 2.71Å; E27-R31 PolarHBondContact OE1-NH2 2.99Å |
| 28 | V | 93.6 | Very high | 87.6 | Confident | 89 Ų | 89 | 73 Ų | 73 | 54% | 0.539 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 175.4 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | A24 A25 C30 R31 R32 | A24-V28 PolarHBondContact O-N 3.05Å; A25-V28 WeakPolarHBondContact O-CB 3.42Å; A25-V28 PolarHBondContact O-N 3.35Å; V28-C30 PolarHBondContact O-N 2.89Å; V28-R31 PolarHBondContact O-N 3.43Å; V28-R32 WeakPolarHBondContact O-CB 3.22Å; V28-R32 PolarHBondContact O-N 2.96Å |
| 29 | W | 93.3 | Very high | 88.2 | Confident | 59 Ų | 59 | 73.1 Ų | 73.1 | 22% | 0.223 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63 | -40.1 | 175 | -64.3 | 132.1 | 0 | 0 | 0 | 112.7 | A25 S26 E27 R32 V33 F91 E93 V96 | A25-W29 PolarHBondContact O-N 2.68Å; A25-W29 VanDerWaalsContact O-N 3.08Å; S26-W29 PolarHBondContact O-N 2.67Å; E27-W29 VanDerWaalsContact C-N 3.31Å; E27-W29 PolarHBondContact O-N 3.27Å; W29-R32 PolarHBondContact O-N 3.36Å; W29-V33 WeakPolarHBondContact O-CG2 3.15Å; W29-V33 PolarHBondContact O-N 3.3Å; W29-F91 HydrophobicContact CB-CB 4.42Å; W29-F91 WeakPolarHBondContact CB-O 3.46Å; W29-E93 HydrophobicContact CD2-CB 4.34Å; W29-E93 HydrophobicContact CH2-CB 4.25Å; W29-E93 HydrophobicContact CH2-CG 3.75Å; W29-E93 HydrophobicContact CZ2-CB 3.56Å; W29-E93 HydrophobicContact CZ2-CG 3.46Å; W29-E93 VanDerWaalsContact CZ2-CG 3.46Å; W29-V96 HydrophobicContact CB-CG2 3.78Å; W29-V96 HydrophobicContact CD2-CG2 4.4Å; W29-V96 HydrophobicContact CE3-CB 3.92Å; W29-V96 HydrophobicContact CE3-CG1 4.03Å; W29-V96 HydrophobicContact CE3-CG2 4.13Å; W29-V96 HydrophobicContact CG-CG2 4.28Å |
| 30 | C | 92.3 | Very high | 88.4 | Confident | 19 Ų | 19 | 70 Ų | 70 | 13% | 0.128 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 174.9 | -66.6 | 0 | 0 | 0 | 0 | 112.7 | S26 E27 V28 R32 V33 R34 | S26-C30 PolarHBondContact O-N 3.06Å; S26-C30 PolarHBondContact O-SG 3.07Å; E27-C30 WeakPolarHBondContact O-CB 3.42Å; E27-C30 PolarHBondContact O-N 3.42Å; E27-C30 VanDerWaalsContact O-N 3.14Å; V28-C30 PolarHBondContact O-N 2.89Å; C30-R32 VanDerWaalsContact C-N 3.34Å; C30-V33 PolarHBondContact O-N 3.27Å; C30-R34 WeakPolarHBondContact O-CG 3.49Å; C30-R34 PolarHBondContact O-N 3.38Å |
| 31 | R | 93.1 | Very high | 88 | Confident | 143 Ų | 143 | 75.7 Ų | 75.7 | 54% | 0.54 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 173.5 | -174.2 | 173.7 | -63.3 | 161.3 | 5.2 | 110.7 | E27 V28 V33 R34 E35 | E27-R31 PolarHBondContact O-N 3Å; E27-R31 IonicContact OE1-CZ 2.87Å; E27-R31 IonicContact OE1-NH2 2.71Å; E27-R31 PolarHBondContact OE1-NH2 2.99Å; V28-R31 PolarHBondContact O-N 3.43Å; R31-V33 PolarHBondContact O-N 3.48Å; R31-R34 WeakPolarHBondContact O-CB 3.48Å; R31-R34 PolarHBondContact O-N 3.04Å; R31-R34 VanDerWaalsContact O-N 3.13Å; R31-E35 PolarHBondContact O-N 3.28Å |
| 32 | R | 93.8 | Very high | 87.6 | Confident | 100 Ų | 100 | 69.9 Ų | 69.9 | 38% | 0.377 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63 | -37.7 | 178.7 | -171.3 | 54.5 | 169.6 | -174.3 | -3.6 | 113.3 | V28 W29 C30 R34 E35 L36 V96 | V28-R32 WeakPolarHBondContact O-CB 3.22Å; V28-R32 PolarHBondContact O-N 2.96Å; W29-R32 PolarHBondContact O-N 3.36Å; C30-R32 VanDerWaalsContact C-N 3.34Å; R32-R34 VanDerWaalsContact C-N 3.33Å; R32-R34 PolarHBondContact O-N 3.4Å; R32-E35 WeakPolarHBondContact CD-OE2 3.25Å; R32-E35 IonicContact CZ-OE2 3.77Å; R32-E35 IonicContact NE-OE2 2.73Å; R32-E35 IonicContact NH1-OE2 3.81Å; R32-E35 PolarHBondContact NH1-OE2 3.47Å; R32-E35 WeakPolarHBondContact O-CB 3.41Å; R32-E35 PolarHBondContact O-N 3.35Å; R32-L36 HydrophobicContact CG-CD1 4.36Å; R32-L36 WeakPolarHBondContact O-CD1 3.43Å; R32-L36 VanDerWaalsContact O-CG 3.26Å; R32-L36 WeakPolarHBondContact O-CG 3.47Å; R32-L36 PolarHBondContact O-N 3.07Å; R32-V96 HydrophobicContact CB-CG1 4.02Å; R32-V96 HydrophobicContact CG-CG1 3.68Å |
| 33 | V | 94.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 174.4 | 173.5 | 0 | 0 | 0 | 0 | 112 | W29 C30 R31 L36 G37 V58 F65 I86 F91 V96 L99 | W29-V33 WeakPolarHBondContact O-CG2 3.15Å; W29-V33 PolarHBondContact O-N 3.3Å; C30-V33 PolarHBondContact O-N 3.27Å; R31-V33 PolarHBondContact O-N 3.48Å; V33-L36 PolarHBondContact O-N 2.84Å; V33-G37 PolarHBondContact O-N 3.01Å; V33-V58 HydrophobicContact CG1-CG2 3.78Å; V33-F65 HydrophobicContact CG1-CE1 4.23Å; V33-I86 HydrophobicContact CG1-CG1 4.33Å; V33-I86 HydrophobicContact CG1-CG2 4.44Å; V33-F91 HydrophobicContact CB-CD2 4.23Å; V33-F91 HydrophobicContact CB-CE2 4.25Å; V33-F91 HydrophobicContact CG1-CD2 4.43Å; V33-F91 HydrophobicContact CG1-CE1 4.19Å; V33-F91 HydrophobicContact CG1-CE2 4Å; V33-F91 HydrophobicContact CG1-CZ 3.88Å; V33-F91 HydrophobicContact CG2-CB 4.21Å; V33-F91 HydrophobicContact CG2-CD1 4Å; V33-F91 HydrophobicContact CG2-CD2 3.98Å; V33-F91 HydrophobicContact CG2-CE1 4.37Å; V33-F91 HydrophobicContact CG2-CE2 4.37Å; V33-F91 HydrophobicContact CG2-CG 3.79Å; V33-V96 HydrophobicContact CG2-CB 4.37Å; V33-V96 HydrophobicContact CG2-CG1 4.07Å; V33-V96 HydrophobicContact CG2-CG2 3.6Å; V33-L99 HydrophobicContact CG2-CD1 4.18Å |
| 34 | R | 93.1 | Very high | 88 | Confident | 130 Ų | 130 | 62 Ų | 62 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 174.7 | -68.2 | 169.3 | -173.2 | -143.1 | 13.3 | 112 | C30 R31 R32 L36 G37 G38 I86 S87 | C30-R34 WeakPolarHBondContact O-CG 3.49Å; C30-R34 PolarHBondContact O-N 3.38Å; R31-R34 WeakPolarHBondContact O-CB 3.48Å; R31-R34 PolarHBondContact O-N 3.04Å; R31-R34 VanDerWaalsContact O-N 3.13Å; R32-R34 VanDerWaalsContact C-N 3.33Å; R32-R34 PolarHBondContact O-N 3.4Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-L36 PolarHBondContact O-N 3.41Å; R34-G37 PolarHBondContact O-N 3.2Å; R34-G38 PolarHBondContact O-N 3.43Å; R34-I86 HydrophobicContact CB-CG2 4.43Å; R34-I86 HydrophobicContact CG-CG2 3.54Å; R34-I86 PolarHBondContact NE-O 3.23Å; R34-S87 PolarHBondContact NH2-O 3.2Å; R34-S87 VanDerWaalsContact NH2-O 3.12Å |
| 35 | E | 93.4 | Very high | 88.2 | Confident | 94 Ų | 94 | 64 Ų | 64 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.2 | -45 | 172.5 | -68.2 | 166.1 | -161.1 | 0 | 0 | 111.8 | R31 R32 G38 C39 | R31-E35 PolarHBondContact O-N 3.28Å; R32-E35 WeakPolarHBondContact CD-OE2 3.25Å; R32-E35 IonicContact CZ-OE2 3.77Å; R32-E35 IonicContact NE-OE2 2.73Å; R32-E35 IonicContact NH1-OE2 3.81Å; R32-E35 PolarHBondContact NH1-OE2 3.47Å; R32-E35 WeakPolarHBondContact O-CB 3.41Å; R32-E35 PolarHBondContact O-N 3.35Å; E35-G38 PolarHBondContact O-N 3.2Å; E35-C39 PolarHBondContact O-N 2.84Å |
| 36 | L | 91.8 | Very high | 88.4 | Confident | 24 Ų | 24 | 66 Ų | 66 | 13% | 0.126 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.3 | -41 | 179.5 | -66.7 | 164.4 | 0 | 0 | 0 | 112.1 | R32 V33 R34 G38 C39 N44 F65 V96 L99 Q100 | R32-L36 HydrophobicContact CG-CD1 4.36Å; R32-L36 WeakPolarHBondContact O-CD1 3.43Å; R32-L36 VanDerWaalsContact O-CG 3.26Å; R32-L36 WeakPolarHBondContact O-CG 3.47Å; R32-L36 PolarHBondContact O-N 3.07Å; V33-L36 PolarHBondContact O-N 2.84Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-L36 PolarHBondContact O-N 3.41Å; L36-G38 VanDerWaalsContact C-N 3.31Å; L36-G38 PolarHBondContact O-N 3.36Å; L36-C39 WeakPolarHBondContact O-CB 3.16Å; L36-C39 PolarHBondContact O-N 3.32Å; L36-N44 WeakPolarHBondContact O-CB 3.29Å; L36-N44 PolarHBondContact O-ND2 3.03Å; L36-F65 HydrophobicContact CB-CE1 4.23Å; L36-F65 HydrophobicContact CB-CE2 4.39Å; L36-F65 HydrophobicContact CB-CZ 3.61Å; L36-V96 HydrophobicContact CD1-CG1 4.22Å; L36-L99 HydrophobicContact CD1-CB 4.49Å; L36-Q100 HydrophobicContact CD1-CG 3.48Å; L36-Q100 VanDerWaalsContact CD1-CG 3.48Å; L36-Q100 HydrophobicContact CD2-CG 3.86Å; L36-Q100 HydrophobicContact CG-CG 4.27Å |
| 37 | G | 89.3 | Confident | 88.6 | Confident | 7 Ų | 7 | 65 Ų | 65 | 7% | 0.072 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63 | -35.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | V33 R34 C39 N44 | V33-G37 PolarHBondContact O-N 3.01Å; R34-G37 PolarHBondContact O-N 3.2Å; G37-C39 VanDerWaalsContact C-N 3.3Å; G37-C39 PolarHBondContact O-N 3.04Å; G37-N44 CarbonylContact O-C 3.56Å |
| 38 | G | 87 | Confident | 88.7 | Confident | 47 Ų | 47 | 60.3 Ų | 60.3 | 49% | 0.485 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71.9 | -18.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R34 E35 L36 S40 R45 | R34-G38 PolarHBondContact O-N 3.43Å; E35-G38 PolarHBondContact O-N 3.2Å; L36-G38 VanDerWaalsContact C-N 3.31Å; L36-G38 PolarHBondContact O-N 3.36Å; G38-S40 PolarHBondContact O-N 3.19Å; G38-R45 WeakPolarHBondContact O-CD 3.26Å; G38-R45 VanDerWaalsContact O-CG 3.25Å; G38-R45 WeakPolarHBondContact O-CG 3.35Å |
| 39 | C | 84.5 | Confident | 88.6 | Confident | 47 Ų | 47 | 56.8 Ų | 56.8 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | trans | -70.7 | 115.5 | -170 | -172.6 | 0 | 0 | 0 | 0 | 113.5 | E35 L36 G37 Q41 N44 | E35-C39 PolarHBondContact O-N 2.84Å; L36-C39 WeakPolarHBondContact O-CB 3.16Å; L36-C39 PolarHBondContact O-N 3.32Å; G37-C39 VanDerWaalsContact C-N 3.3Å; G37-C39 PolarHBondContact O-N 3.04Å; C39-Q41 VanDerWaalsContact C-N 3.34Å; C39-N44 PolarHBondContact O-N 3.38Å | ||
| 40 | S | 78.7 | Confident | 88.4 | Confident | 83 Ų | 83 | 55.1 Ų | 55.1 | 58% | 0.58 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -36.9 | 172.3 | -62.8 | 0 | 0 | 0 | 0 | 112.9 | G38 A42 G43 R45 | G38-S40 PolarHBondContact O-N 3.19Å; S40-A42 VanDerWaalsContact C-N 3.3Å; S40-A42 PolarHBondContact O-N 2.87Å; S40-G43 WeakPolarHBondContact O-CA 3.4Å; S40-G43 PolarHBondContact O-N 3.19Å; S40-R45 WeakPolarHBondContact OG-CD 3.47Å |
| 41 | Q | 69.6 | Low | 88.2 | Confident | 180 Ų | 180 | 57.6 Ų | 57.6 | 84% | 0.841 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -34.1 | -170.5 | -162.3 | 74.2 | -4.8 | 0 | 0 | 113.3 | C39 | C39-Q41 VanDerWaalsContact C-N 3.34Š|
| 42 | A | 74.6 | Confident | 88 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 19% | 0.19 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 0.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S40 N44 E105 R108 | S40-A42 VanDerWaalsContact C-N 3.3Å; S40-A42 PolarHBondContact O-N 2.87Å; A42-N44 VanDerWaalsContact C-N 3.25Å; A42-N44 PolarHBondContact O-N 2.79Å; A42-N44 PolarHBondContact O-OD1 3.07Å; A42-E105 WeakPolarHBondContact O-CB 3.47Å; A42-E105 PolarHBondContact O-N 3.43Å; A42-R108 PolarHBondContact O-NH2 3.33Å; A42-R108 VanDerWaalsContact O-NH2 3.15Å |
| 43 | G | 83.9 | Confident | 87.8 | Confident | 17 Ų | 17 | 59.4 Ų | 59.4 | 18% | 0.175 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 32.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S40 | S40-G43 WeakPolarHBondContact O-CA 3.4Å; S40-G43 PolarHBondContact O-N 3.19Å |
| 44 | N | 89.8 | Confident | 87.5 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -16.1 | -177.7 | -68.7 | -15.6 | 0 | 0 | 0 | 113.2 | L36 G37 C39 A42 H46 V55 F65 N104 | L36-N44 WeakPolarHBondContact O-CB 3.29Å; L36-N44 PolarHBondContact O-ND2 3.03Å; G37-N44 CarbonylContact O-C 3.56Å; C39-N44 PolarHBondContact O-N 3.38Å; A42-N44 VanDerWaalsContact C-N 3.25Å; A42-N44 PolarHBondContact O-N 2.79Å; A42-N44 PolarHBondContact O-OD1 3.07Å; N44-H46 PolarHBondContact O-N 2.76Å; N44-H46 VanDerWaalsContact O-N 3.07Å; N44-V55 VanDerWaalsContact O-CG1 3.23Å; N44-V55 WeakPolarHBondContact O-CG1 3.44Å; N44-V55 VanDerWaalsContact O-CG2 3.28Å; N44-V55 WeakPolarHBondContact O-CG2 3.4Å; N44-F65 HydrophobicContact CB-CB 4.5Å; N44-F65 HydrophobicContact CB-CD2 3.99Å; N44-F65 HydrophobicContact CB-CE2 4.49Å; N44-F65 HydrophobicContact CB-CG 4.21Å; N44-F65 VanDerWaalsContact CG-CD2 3.47Å; N44-F65 WeakPolarHBondContact ND2-CE2 3.24Å; N44-N104 WeakPolarHBondContact OD1-CB 3.45Å; N44-N104 PolarHBondContact OD1-N 3.43Å |
| 45 | R | 90.3 | Very high | 87.6 | Confident | 101 Ų | 101 | 56.1 Ų | 56.1 | 38% | 0.381 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -11.5 | 179.6 | -62.6 | 179.4 | 71.5 | -127.3 | 8.3 | 114.4 | G38 S40 G54 | G38-R45 WeakPolarHBondContact O-CD 3.26Å; G38-R45 VanDerWaalsContact O-CG 3.25Å; G38-R45 WeakPolarHBondContact O-CG 3.35Å; S40-R45 WeakPolarHBondContact OG-CD 3.47Å; R45-G54 PolarHBondContact O-N 3.15Å; R45-G54 VanDerWaalsContact O-N 3.15Å |
| 46 | H | 91.6 | Very high | 87.7 | Confident | 83 Ų | 83 | 54.2 Ų | 54.2 | 38% | 0.384 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -121.9 | 139.2 | 178.9 | -59.9 | 110.2 | 0 | 0 | 0 | 109.8 | N44 F48 A51 Q52 N104 | N44-H46 PolarHBondContact O-N 2.76Å; N44-H46 VanDerWaalsContact O-N 3.07Å; H46-F48 PolarHBondContact O-N 2.95Å; H46-A51 WeakPolarHBondContact CB-O 3.41Å; H46-A51 PolarHBondContact CD2-O 3.04Å; H46-Q52 WeakPolarHBondContact CA-O 3.26Å; H46-N104 PolarHBondContact O-ND2 3.24Å |
| 47 | C | 93.1 | Very high | 87.9 | Confident | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.027 | 31% | 0.314 | C | S | . | . | trans | -56.6 | 132.7 | 176.8 | 177 | 0 | 0 | 0 | 0 | 111.2 | E49 A51 Q52 C67 | C47-E49 PolarHBondContact O-N 3.47Å; C47-A51 VanDerWaalsContact O-CA 3.26Å; C47-A51 WeakPolarHBondContact O-CA 3.34Å; C47-A51 PolarHBondContact O-N 3.3Å; C47-Q52 PolarHBondContact N-O 2.57Å; C47-C67 HydrophobicContact CB-CB 4.13Å; C47-C67 PolarHBondContact SG-N 2.88Å | ||
| 48 | F | 92.8 | Very high | 88.2 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.1 | -177.5 | -176.2 | -132.2 | 0 | 0 | 0 | 114.6 | H46 V62 F65 V66 N104 C107 R108 W111 L112 K138 Y139 | H46-F48 PolarHBondContact O-N 2.95Å; F48-V62 HydrophobicContact CE1-CG1 4.3Å; F48-F65 PolarHBondContact N-O 3.01Å; F48-V66 HydrophobicContact CB-CG1 4.12Å; F48-N104 HydrophobicContact CD2-CB 4.42Å; F48-C107 HydrophobicContact CD1-CB 4.35Å; F48-C107 HydrophobicContact CE1-CB 3.83Å; F48-C107 HydrophobicContact CE2-CB 4.07Å; F48-C107 HydrophobicContact CZ-CB 3.72Å; F48-C107 VanDerWaalsContact CZ-O 3.24Å; F48-C107 WeakPolarHBondContact CZ-O 3.4Å; F48-R108 HydrophobicContact CD2-CG 4.25Å; F48-R108 HydrophobicContact CE2-CB 4.27Å; F48-R108 HydrophobicContact CE2-CG 3.71Å; F48-W111 HydrophobicContact CE1-CB 4.39Å; F48-W111 HydrophobicContact CZ-CB 4.11Å; F48-L112 HydrophobicContact CE2-CD1 4.31Å; F48-K138 VanDerWaalsContact CE1-NZ 3.31Å; F48-Y139 WeakPolarHBondContact CD1-OH 3.33Å; F48-Y139 WeakPolarHBondContact CE1-OH 3.25Å |
| 49 | E | 91.1 | Very high | 88.7 | Confident | 15 Ų | 15 | 53.4 Ų | 53.4 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -58 | -178.7 | -56.3 | -49 | 131.9 | 0 | 0 | 112.9 | C47 V66 C70 L74 L135 K138 Y139 | C47-E49 PolarHBondContact O-N 3.47Å; E49-V66 HydrophobicContact CG-CG1 4.39Å; E49-C70 HydrophobicContact CB-CB 4.05Å; E49-C70 HydrophobicContact CG-CB 4.1Å; E49-L74 HydrophobicContact CG-CD1 4.43Å; E49-L135 HydrophobicContact CB-CD1 4.19Å; E49-L135 HydrophobicContact CG-CD1 4.13Å; E49-L135 HydrophobicContact CG-CD2 4.41Å; E49-L135 HydrophobicContact CG-CG 4.49Å; E49-L135 WeakPolarHBondContact OE2-CD1 3.21Å; E49-K138 IonicContact OE1-NZ 3.66Å; E49-K138 PolarHBondContact OE1-NZ 3Å; E49-K138 IonicContact OE2-NZ 2.67Å; E49-K138 PolarHBondContact OE2-NZ 3.17Å; E49-Y139 PolarHBondContact OE1-OH 3.02Å |
| 50 | C | 88.5 | Confident | 89.2 | Confident | 24 Ų | 24 | 51.9 Ų | 51.9 | 16% | 0.162 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 3.8 | -173 | 64.8 | 0 | 0 | 0 | 0 | 114.8 | Q52 C67 C70 | C50-Q52 HydrophobicContact CB-CG 4.26Å; C50-Q52 PolarHBondContact O-N 3.22Å; C50-C67 VanDerWaalsContact SG-SG 3.67Å; C50-C70 VanDerWaalsContact SG-SG 3.63Å |
| 51 | A | 88.6 | Confident | 89.9 | Confident | 71 Ų | 71 | 51.2 Ų | 51.2 | 59% | 0.587 | 27% | 0.268 | S | S | * | . | trans | 56.2 | 0.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | H46 C47 | H46-A51 WeakPolarHBondContact CB-O 3.41Å; H46-A51 PolarHBondContact CD2-O 3.04Å; C47-A51 VanDerWaalsContact O-CA 3.26Å; C47-A51 WeakPolarHBondContact O-CA 3.34Å; C47-A51 PolarHBondContact O-N 3.3Å | ||
| 52 | Q | 88.1 | Confident | 91 | Very high | 86 Ų | 86 | 42.6 Ų | 42.6 | 40% | 0.402 | 23% | 0.228 | S | C | . | . | trans | -62.7 | 141.4 | 178.3 | -65.8 | 172.1 | -5.8 | 0 | 0 | 111.2 | H46 C47 C50 S125 | H46-Q52 WeakPolarHBondContact CA-O 3.26Å; C47-Q52 PolarHBondContact N-O 2.57Å; C50-Q52 HydrophobicContact CB-CG 4.26Å; C50-Q52 PolarHBondContact O-N 3.22Å; Q52-S125 PolarHBondContact NE2-OG 2.87Å | ||
| 53 | R | 90.3 | Very high | 92 | Very high | 194 Ų | 194 | 41.5 Ų | 41.5 | 73% | 0.732 | 22% | 0.219 | S | C | * | . | B | Isolated β-bridge | trans | -73.7 | 137.6 | 179.9 | -179.5 | 178.4 | 162.1 | -156.6 | -7.2 | 110.9 | ||
| 54 | G | 88.4 | Confident | 92.5 | Very high | 39 Ų | 39 | 40.7 Ų | 40.7 | 40% | 0.402 | 21% | 0.211 | S | C | . | . | trans | 101.3 | 88.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | R45 | R45-G54 PolarHBondContact O-N 3.15Å; R45-G54 VanDerWaalsContact O-N 3.15Å | ||
| 55 | V | 94 | Very high | 92.8 | Very high | 23 Ų | 23 | 40.6 Ų | 40.6 | 14% | 0.139 | 21% | 0.21 | C | C | . | . | trans | -84.7 | 136.5 | 170.5 | -66.3 | 0 | 0 | 0 | 0 | 110 | N44 F65 V66 I86 | N44-V55 VanDerWaalsContact O-CG1 3.23Å; N44-V55 WeakPolarHBondContact O-CG1 3.44Å; N44-V55 VanDerWaalsContact O-CG2 3.28Å; N44-V55 WeakPolarHBondContact O-CG2 3.4Å; V55-F65 HydrophobicContact CB-CB 3.93Å; V55-F65 HydrophobicContact CG1-CB 3.8Å; V55-F65 HydrophobicContact CG2-CB 4Å; V55-F65 HydrophobicContact CG2-CD1 4.36Å; V55-V66 WeakPolarHBondContact CA-O 3.42Å; V55-I86 HydrophobicContact CB-CD1 4.39Å; V55-I86 HydrophobicContact CG2-CD1 4.14Å | ||
| 56 | T | 95.2 | Very high | 93.1 | Very high | 54 Ų | 54 | 35.8 Ų | 35.8 | 33% | 0.331 | 19% | 0.192 | S | C | . | . | trans | -127.9 | -19.5 | -175.9 | 46.6 | 0 | 0 | 0 | 0 | 112.3 | V66 T68 I86 | T56-V66 PolarHBondContact N-O 2.71Å; T56-T68 PolarHBondContact OG1-N 3.43Å; T56-T68 PolarHBondContact OG1-OG1 3.37Å; T56-I86 WeakPolarHBondContact O-CB 3.42Å; T56-I86 PolarHBondContact O-N 3.4Å | ||
| 57 | Y | 96.5 | Very high | 93.2 | Very high | 61 Ų | 61 | 32.3 Ų | 32.3 | 24% | 0.239 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 159.5 | 178.2 | -69.8 | -99.6 | 0 | 0 | 0 | 110.9 | V66 T68 S71 K84 | Y57-V66 PolarHBondContact N-O 3.37Å; Y57-V66 PolarHBondContact O-N 2.93Å; Y57-V66 VanDerWaalsContact O-O 3.12Å; Y57-T68 HydrophobicContact CE2-CG2 3.82Å; Y57-S71 WeakPolarHBondContact CD2-OG 3.37Å; Y57-K84 CarbonylContact C-O 3.57Å; Y57-K84 WeakPolarHBondContact CA-O 3.48Å; Y57-K84 WeakPolarHBondContact CB-O 3.48Å; Y57-K84 WeakPolarHBondContact CD1-O 3.24Å |
| 58 | V | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 129.9 | 173.9 | -167.4 | 0 | 0 | 0 | 0 | 109 | V33 I60 S64 F65 V83 K84 I86 F91 L99 | V33-V58 HydrophobicContact CG1-CG2 3.78Å; V58-I60 HydrophobicContact CB-CD1 4.35Å; V58-I60 HydrophobicContact CG1-CD1 4.03Å; V58-S64 CarbonylContact C-O 3.49Å; V58-S64 WeakPolarHBondContact CA-O 3.34Å; V58-S64 WeakPolarHBondContact CG1-O 3.39Å; V58-F65 HydrophobicContact CG1-CE1 4.49Å; V58-F65 HydrophobicContact CG2-CD1 3.94Å; V58-F65 HydrophobicContact CG2-CE1 3.9Å; V58-V83 CarbonylContact O-C 3.56Å; V58-V83 VanDerWaalsContact O-CA 3.22Å; V58-V83 WeakPolarHBondContact O-CA 3.33Å; V58-K84 PolarHBondContact N-O 3.45Å; V58-K84 PolarHBondContact O-N 2.89Å; V58-I86 HydrophobicContact CG2-CD1 4.07Å; V58-I86 HydrophobicContact CG2-CG1 3.44Å; V58-I86 VanDerWaalsContact CG2-CG1 3.44Å; V58-F91 HydrophobicContact CB-CE1 4.38Å; V58-F91 HydrophobicContact CG2-CE1 4.26Å; V58-F91 HydrophobicContact CG2-CZ 4.21Å; V58-L99 HydrophobicContact CG1-CD1 3.69Å; V58-L99 HydrophobicContact CG1-CD2 3.23Å; V58-L99 HydrophobicContact CG1-CG 4.08Å |
| 59 | D | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 113.4 | 167.5 | -176.5 | -14.9 | 0 | 0 | 0 | 109.4 | T61 V62 G63 S64 H81 V83 | D59-T61 WeakPolarHBondContact OD1-CA 3.41Å; D59-T61 VanDerWaalsContact OD1-CB 3.28Å; D59-T61 WeakPolarHBondContact OD1-CB 3.3Å; D59-T61 PolarHBondContact OD1-N 3.15Å; D59-V62 HydrophobicContact CB-CB 4.31Å; D59-V62 PolarHBondContact OD1-N 2.98Å; D59-V62 WeakPolarHBondContact OD2-CB 3.35Å; D59-V62 VanDerWaalsContact OD2-CG2 3.26Å; D59-V62 WeakPolarHBondContact OD2-CG2 3.28Å; D59-G63 WeakPolarHBondContact O-CA 3.41Å; D59-G63 PolarHBondContact O-N 3.08Å; D59-S64 PolarHBondContact N-O 3.26Å; D59-S64 PolarHBondContact O-N 3.45Å; D59-H81 IonicContact OD1-ND1 2.72Å; D59-H81 IonicContact OD2-CE1 3.6Å; D59-H81 IonicContact OD2-CG 3.67Å; D59-H81 IonicContact OD2-ND1 3.88Å; D59-H81 PolarHBondContact OD2-ND1 3.16Å; D59-V83 HydrophobicContact CB-CG1 3.97Å |
| 60 | I | 94.9 | Very high | 93.4 | Very high | 15 Ų | 15 | 39.1 Ų | 39.1 | 8% | 0.077 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -19.1 | 178.6 | -53.1 | -59.2 | 0 | 0 | 0 | 111.8 | V58 R82 K84 F91 E95 F98 L99 | V58-I60 HydrophobicContact CB-CD1 4.35Å; V58-I60 HydrophobicContact CG1-CD1 4.03Å; I60-R82 HydrophobicContact CB-CB 4.42Å; I60-R82 WeakPolarHBondContact CB-O 3.29Å; I60-R82 PolarHBondContact N-O 2.91Å; I60-K84 HydrophobicContact CD1-CD 4.37Å; I60-K84 HydrophobicContact CG1-CB 4.42Å; I60-K84 HydrophobicContact CG1-CD 4.03Å; I60-K84 HydrophobicContact CG1-CG 3.97Å; I60-F91 HydrophobicContact CD1-CD1 4.33Å; I60-F91 HydrophobicContact CD1-CE1 4.13Å; I60-E95 HydrophobicContact CD1-CB 4.5Å; I60-E95 HydrophobicContact CG2-CG 4.05Å; I60-F98 WeakPolarHBondContact O-CE1 3.45Å; I60-L99 HydrophobicContact CD1-CD1 4.02Å |
| 61 | T | 94.2 | Very high | 93.7 | Very high | 68 Ų | 68 | 38.3 Ų | 38.3 | 42% | 0.417 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -43.2 | 172.1 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | D59 R82 | D59-T61 WeakPolarHBondContact OD1-CA 3.41Å; D59-T61 VanDerWaalsContact OD1-CB 3.28Å; D59-T61 WeakPolarHBondContact OD1-CB 3.3Å; D59-T61 PolarHBondContact OD1-N 3.15Å; T61-R82 PolarHBondContact OG1-N 3.07Å |
| 62 | V | 93.4 | Very high | 94 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -33.5 | -177.9 | 170.8 | 0 | 0 | 0 | 0 | 113.1 | F48 D59 H81 R102 C107 W111 Y139 | F48-V62 HydrophobicContact CE1-CG1 4.3Å; D59-V62 HydrophobicContact CB-CB 4.31Å; D59-V62 PolarHBondContact OD1-N 2.98Å; D59-V62 WeakPolarHBondContact OD2-CB 3.35Å; D59-V62 VanDerWaalsContact OD2-CG2 3.26Å; D59-V62 WeakPolarHBondContact OD2-CG2 3.28Å; V62-H81 VanDerWaalsContact CG2-CE1 3.45Å; V62-H81 WeakPolarHBondContact CG2-CE1 3.23Å; V62-R102 WeakPolarHBondContact O-CD 3.47Å; V62-R102 PolarHBondContact O-NH1 3.19Å; V62-C107 HydrophobicContact CG1-CB 4.23Å; V62-C107 PolarHBondContact O-SG 3.34Å; V62-C107 VanDerWaalsContact O-SG 3.38Å; V62-W111 HydrophobicContact CG2-CZ2 4.26Å; V62-Y139 HydrophobicContact CG2-CD1 4.28Å; V62-Y139 HydrophobicContact CG2-CE1 3.63Å |
| 63 | G | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 37.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D59 G103 C107 | D59-G63 WeakPolarHBondContact O-CA 3.41Å; D59-G63 PolarHBondContact O-N 3.08Å; G63-G103 PolarHBondContact O-N 3.23Å; G63-C107 PolarHBondContact O-SG 2.7Å; G63-C107 VanDerWaalsContact O-SG 3.37Å |
| 64 | S | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 158.5 | -176.6 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | V58 D59 N104 | V58-S64 CarbonylContact C-O 3.49Å; V58-S64 WeakPolarHBondContact CA-O 3.34Å; V58-S64 WeakPolarHBondContact CG1-O 3.39Å; D59-S64 PolarHBondContact N-O 3.26Å; D59-S64 PolarHBondContact O-N 3.45Å; S64-N104 WeakPolarHBondContact CA-OD1 3.5Å; S64-N104 WeakPolarHBondContact CB-OD1 3.31Å |
| 65 | F | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 128.2 | 179.6 | -64.6 | -98 | 0 | 0 | 0 | 110 | V33 L36 N44 F48 V55 V58 I86 L99 N104 | V33-F65 HydrophobicContact CG1-CE1 4.23Å; L36-F65 HydrophobicContact CB-CE1 4.23Å; L36-F65 HydrophobicContact CB-CE2 4.39Å; L36-F65 HydrophobicContact CB-CZ 3.61Å; N44-F65 HydrophobicContact CB-CB 4.5Å; N44-F65 HydrophobicContact CB-CD2 3.99Å; N44-F65 HydrophobicContact CB-CE2 4.49Å; N44-F65 HydrophobicContact CB-CG 4.21Å; N44-F65 VanDerWaalsContact CG-CD2 3.47Å; N44-F65 WeakPolarHBondContact ND2-CE2 3.24Å; F48-F65 PolarHBondContact N-O 3.01Å; V55-F65 HydrophobicContact CB-CB 3.93Å; V55-F65 HydrophobicContact CG1-CB 3.8Å; V55-F65 HydrophobicContact CG2-CB 4Å; V55-F65 HydrophobicContact CG2-CD1 4.36Å; V58-F65 HydrophobicContact CG1-CE1 4.49Å; V58-F65 HydrophobicContact CG2-CD1 3.94Å; V58-F65 HydrophobicContact CG2-CE1 3.9Å; F65-I86 HydrophobicContact CD1-CD1 4.08Å; F65-L99 HydrophobicContact CE2-CD2 4.46Å; F65-N104 PolarHBondContact N-OD1 2.73Å; F65-N104 PolarHBondContact O-ND2 2.91Å |
| 66 | V | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 160.5 | -170.6 | -63.5 | 0 | 0 | 0 | 0 | 112.3 | F48 E49 V55 T56 Y57 C70 L74 | F48-V66 HydrophobicContact CB-CG1 4.12Å; E49-V66 HydrophobicContact CG-CG1 4.39Å; V55-V66 WeakPolarHBondContact CA-O 3.42Å; T56-V66 PolarHBondContact N-O 2.71Å; Y57-V66 PolarHBondContact N-O 3.37Å; Y57-V66 PolarHBondContact O-N 2.93Å; Y57-V66 VanDerWaalsContact O-O 3.12Å; V66-C70 HydrophobicContact CB-CB 4.37Å; V66-L74 HydrophobicContact CB-CD1 4.48Å; V66-L74 HydrophobicContact CG1-CD1 4Å; V66-L74 HydrophobicContact CG2-CD1 4.17Å |
| 67 | C | 94.9 | Very high | 94.6 | Very high | 11 Ų | 11 | 29.8 Ų | 29.8 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | trans | -83 | 168.7 | 172.5 | 71.8 | 0 | 0 | 0 | 0 | 111.6 | C47 C50 T69 C70 S71 | C47-C67 HydrophobicContact CB-CB 4.13Å; C47-C67 PolarHBondContact SG-N 2.88Å; C50-C67 VanDerWaalsContact SG-SG 3.67Å; C67-T69 VanDerWaalsContact C-N 3.34Å; C67-T69 PolarHBondContact O-N 3.45Å; C67-C70 PolarHBondContact O-N 3.01Å; C67-C70 VanDerWaalsContact SG-SG 3.64Å; C67-S71 PolarHBondContact O-N 2.98Å | ||
| 68 | T | 94.5 | Very high | 94.3 | Very high | 75 Ų | 75 | 33.2 Ų | 33.2 | 46% | 0.46 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -54.9 | -44 | -179.2 | -49.2 | 0 | 0 | 0 | 0 | 113.1 | T56 Y57 S71 G72 | T56-T68 PolarHBondContact OG1-N 3.43Å; T56-T68 PolarHBondContact OG1-OG1 3.37Å; Y57-T68 HydrophobicContact CE2-CG2 3.82Å; T68-S71 PolarHBondContact O-N 2.91Å; T68-S71 PolarHBondContact O-OG 3.23Å; T68-G72 PolarHBondContact O-N 2.93Å |
| 69 | T | 93.1 | Very high | 94.1 | Very high | 97 Ų | 97 | 37.9 Ų | 37.9 | 60% | 0.595 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -64.2 | -47.4 | -178.7 | -44.4 | 0 | 0 | 0 | 0 | 111.5 | C67 S71 G72 L73 | C67-T69 VanDerWaalsContact C-N 3.34Å; C67-T69 PolarHBondContact O-N 3.45Å; T69-S71 PolarHBondContact O-N 2.74Å; T69-G72 PolarHBondContact O-N 3.15Å; T69-L73 PolarHBondContact O-N 3.01Å |
| 70 | C | 93.1 | Very high | 94 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.5 | -31.5 | 179.9 | -62.5 | 0 | 0 | 0 | 0 | 112.4 | E49 C50 V66 C67 G72 L73 L74 | E49-C70 HydrophobicContact CB-CB 4.05Å; E49-C70 HydrophobicContact CG-CB 4.1Å; C50-C70 VanDerWaalsContact SG-SG 3.63Å; V66-C70 HydrophobicContact CB-CB 4.37Å; C67-C70 PolarHBondContact O-N 3.01Å; C67-C70 VanDerWaalsContact SG-SG 3.64Å; C70-G72 VanDerWaalsContact C-N 3.26Å; C70-G72 PolarHBondContact O-N 3.33Å; C70-L73 PolarHBondContact O-N 3.15Å; C70-L74 WeakPolarHBondContact O-CB 3.35Å; C70-L74 WeakPolarHBondContact O-CD1 3.45Å; C70-L74 VanDerWaalsContact O-CG 3.25Å; C70-L74 WeakPolarHBondContact O-CG 3.42Å; C70-L74 PolarHBondContact O-N 3.22Å |
| 71 | S | 94.8 | Very high | 94 | Very high | 7 Ų | 7 | 42 Ų | 42 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.6 | -31.7 | 172.7 | 82.9 | 0 | 0 | 0 | 0 | 112.4 | Y57 C67 T68 T69 R75 | Y57-S71 WeakPolarHBondContact CD2-OG 3.37Å; C67-S71 PolarHBondContact O-N 2.98Å; T68-S71 PolarHBondContact O-N 2.91Å; T68-S71 PolarHBondContact O-OG 3.23Å; T69-S71 PolarHBondContact O-N 2.74Å; S71-R75 WeakPolarHBondContact O-CD 3.32Å; S71-R75 VanDerWaalsContact O-CG 3.3Å; S71-R75 WeakPolarHBondContact O-CG 3.27Å; S71-R75 PolarHBondContact O-N 3Å |
| 72 | G | 94.2 | Very high | 94.1 | Very high | 37 Ų | 37 | 45.8 Ų | 45.8 | 38% | 0.381 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.2 | -47.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T68 T69 C70 R75 | T68-G72 PolarHBondContact O-N 2.93Å; T69-G72 PolarHBondContact O-N 3.15Å; C70-G72 VanDerWaalsContact C-N 3.26Å; C70-G72 PolarHBondContact O-N 3.33Å; G72-R75 PolarHBondContact O-N 3.34Å |
| 73 | L | 93.6 | Very high | 94.2 | Very high | 35 Ų | 35 | 47.2 Ų | 47.2 | 18% | 0.183 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.2 | -40.9 | -179.8 | -62.4 | 176.6 | 0 | 0 | 0 | 112.7 | T69 C70 R75 G76 V131 K132 L135 | T69-L73 PolarHBondContact O-N 3.01Å; C70-L73 PolarHBondContact O-N 3.15Å; L73-R75 PolarHBondContact O-N 3.47Å; L73-G76 WeakPolarHBondContact O-CA 3.16Å; L73-G76 PolarHBondContact O-N 3.06Å; L73-V131 HydrophobicContact CD1-CB 4.08Å; L73-V131 HydrophobicContact CD1-CG1 3.52Å; L73-K132 HydrophobicContact CD2-CB 4.48Å; L73-L135 HydrophobicContact CB-CD2 3.96Å |
| 74 | L | 94.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.4 | -28.6 | 176.9 | -74.8 | 165.5 | 0 | 0 | 0 | 113.1 | E49 V66 C70 G76 L77 H81 V83 L135 Y139 | E49-L74 HydrophobicContact CG-CD1 4.43Å; V66-L74 HydrophobicContact CB-CD1 4.48Å; V66-L74 HydrophobicContact CG1-CD1 4Å; V66-L74 HydrophobicContact CG2-CD1 4.17Å; C70-L74 WeakPolarHBondContact O-CB 3.35Å; C70-L74 WeakPolarHBondContact O-CD1 3.45Å; C70-L74 VanDerWaalsContact O-CG 3.25Å; C70-L74 WeakPolarHBondContact O-CG 3.42Å; C70-L74 PolarHBondContact O-N 3.22Å; L74-G76 VanDerWaalsContact C-N 3.3Å; L74-L77 HydrophobicContact CD2-CD1 4.01Å; L74-H81 HydrophobicContact CB-CB 4.07Å; L74-H81 WeakPolarHBondContact O-CB 3.44Å; L74-H81 PolarHBondContact O-N 2.8Å; L74-H81 VanDerWaalsContact O-N 3.09Å; L74-V83 HydrophobicContact CD1-CG1 4.43Å; L74-L135 HydrophobicContact CD2-CD2 3.72Å; L74-L135 HydrophobicContact CD2-CG 4.41Å; L74-L135 HydrophobicContact CG-CD2 3.83Å; L74-Y139 HydrophobicContact CD2-CD2 4.07Å; L74-Y139 HydrophobicContact CD2-CE2 3.64Å |
| 75 | R | 95.1 | Very high | 94.3 | Very high | 163 Ų | 163 | 49.6 Ų | 49.6 | 62% | 0.615 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -15.7 | 172.2 | -69.1 | 168.7 | 65.8 | -103.6 | 1.2 | 113.6 | S71 G72 L73 V83 | S71-R75 WeakPolarHBondContact O-CD 3.32Å; S71-R75 VanDerWaalsContact O-CG 3.3Å; S71-R75 WeakPolarHBondContact O-CG 3.27Å; S71-R75 PolarHBondContact O-N 3Å; G72-R75 PolarHBondContact O-N 3.34Å; L73-R75 PolarHBondContact O-N 3.47Å; R75-V83 HydrophobicContact CG-CG2 3.48Å; R75-V83 VanDerWaalsContact CG-CG2 3.48Å |
| 76 | G | 92.6 | Very high | 94.3 | Very high | 46 Ų | 46 | 50.2 Ų | 50.2 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 9.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L73 L74 | L73-G76 WeakPolarHBondContact O-CA 3.16Å; L73-G76 PolarHBondContact O-N 3.06Å; L74-G76 VanDerWaalsContact C-N 3.3Å |
| 77 | L | 92.6 | Very high | 94.1 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -87 | 163.5 | 170.2 | -58.3 | 179.2 | 0 | 0 | 0 | 111 | L74 P79 P80 L135 Q136 Y139 E140 | L74-L77 HydrophobicContact CD2-CD1 4.01Å; L77-P79 CarbonylContact O-C 3.31Å; L77-P79 VanDerWaalsContact O-C 3.31Å; L77-P80 VanDerWaalsContact O-CA 3.24Å; L77-P80 WeakPolarHBondContact O-CA 3.26Å; L77-P80 VanDerWaalsContact O-N 3.14Å; L77-L135 HydrophobicContact CD1-CB 4.24Å; L77-L135 HydrophobicContact CD1-CD2 4.47Å; L77-L135 HydrophobicContact CD2-CB 3.99Å; L77-Q136 HydrophobicContact CD2-CG 3.62Å; L77-Y139 HydrophobicContact CD1-CD2 3.88Å; L77-Y139 HydrophobicContact CD1-CG 4.29Å; L77-E140 WeakPolarHBondContact CA-OE1 3.27Å |
| 78 | N | 91.4 | Very high | 94 | Very high | 132 Ų | 132 | 61.1 Ų | 61.1 | 71% | 0.706 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -125.1 | 108.5 | 174.6 | -173 | 25.1 | 0 | 0 | 0 | 111.1 | E140 | N78-E140 PolarHBondContact N-OE1 3.11Š|
| 79 | P | 91.9 | Very high | 93.9 | Very high | 98 Ų | 98 | 59.8 Ų | 59.8 | 64% | 0.636 | 33% | 0.334 | S | S | * | . | S | Bend | cis | -74 | 150.4 | 3.9 | 30.7 | -36.2 | 0 | 0 | 0 | 113.4 | L77 | L77-P79 CarbonylContact O-C 3.31Å; L77-P79 VanDerWaalsContact O-C 3.31Å |
| 80 | P | 93.5 | Very high | 93.9 | Very high | 82 Ų | 82 | 59.5 Ų | 59.5 | 53% | 0.532 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 137.8 | -177.5 | 29.2 | -35.6 | 0 | 0 | 0 | 112.3 | L77 | L77-P80 VanDerWaalsContact O-CA 3.24Å; L77-P80 WeakPolarHBondContact O-CA 3.26Å; L77-P80 VanDerWaalsContact O-N 3.14Å |
| 81 | H | 95.7 | Very high | 94 | Very high | 20 Ų | 20 | 59.4 Ų | 59.4 | 9% | 0.093 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 143 | -178.9 | -73.9 | -142 | 0 | 0 | 0 | 112.6 | D59 V62 L74 V83 Y139 | D59-H81 IonicContact OD1-ND1 2.72Å; D59-H81 IonicContact OD2-CE1 3.6Å; D59-H81 IonicContact OD2-CG 3.67Å; D59-H81 IonicContact OD2-ND1 3.88Å; D59-H81 PolarHBondContact OD2-ND1 3.16Å; V62-H81 VanDerWaalsContact CG2-CE1 3.45Å; V62-H81 WeakPolarHBondContact CG2-CE1 3.23Å; L74-H81 HydrophobicContact CB-CB 4.07Å; L74-H81 WeakPolarHBondContact O-CB 3.44Å; L74-H81 PolarHBondContact O-N 2.8Å; L74-H81 VanDerWaalsContact O-N 3.09Å; H81-V83 PolarHBondContact O-N 3.36Å; H81-Y139 AromaticContact CE1-CD1 3.5Å; H81-Y139 VanDerWaalsContact CE1-CD1 3.5Å; H81-Y139 WeakPolarHBondContact CE1-CD1 3.49Å; H81-Y139 AromaticContact CE1-CE1 3.8Å; H81-Y139 AromaticContact CE1-CG 3.64Å; H81-Y139 AromaticContact NE2-CG 3.85Å |
| 82 | R | 95.4 | Very high | 94 | Very high | 147 Ų | 147 | 62.6 Ų | 62.6 | 56% | 0.555 | 35% | 0.35 | S | S | * | . | trans | -85.9 | 83.9 | -178.4 | -68.3 | 179.6 | 65.5 | -122.3 | -2.4 | 111.2 | I60 T61 E95 | I60-R82 HydrophobicContact CB-CB 4.42Å; I60-R82 WeakPolarHBondContact CB-O 3.29Å; I60-R82 PolarHBondContact N-O 2.91Å; T61-R82 PolarHBondContact OG1-N 3.07Å; R82-E95 IonicContact NH2-OE1 3.92Å | ||
| 83 | V | 96.8 | Very high | 93.9 | Very high | 31 Ų | 31 | 66 Ų | 66 | 19% | 0.188 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 139 | 174.9 | -74 | 0 | 0 | 0 | 0 | 113.5 | V58 D59 L74 R75 H81 | V58-V83 CarbonylContact O-C 3.56Å; V58-V83 VanDerWaalsContact O-CA 3.22Å; V58-V83 WeakPolarHBondContact O-CA 3.33Å; D59-V83 HydrophobicContact CB-CG1 3.97Å; L74-V83 HydrophobicContact CD1-CG1 4.43Å; R75-V83 HydrophobicContact CG-CG2 3.48Å; R75-V83 VanDerWaalsContact CG-CG2 3.48Å; H81-V83 PolarHBondContact O-N 3.36Å |
| 84 | K | 96.1 | Very high | 94 | Very high | 38 Ų | 38 | 68.7 Ų | 68.7 | 17% | 0.165 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 153.2 | 173.7 | -72.7 | -169.3 | 166.2 | -168.1 | 0 | 111.1 | Y57 V58 I60 T89 T90 F91 E95 | Y57-K84 CarbonylContact C-O 3.57Å; Y57-K84 WeakPolarHBondContact CA-O 3.48Å; Y57-K84 WeakPolarHBondContact CB-O 3.48Å; Y57-K84 WeakPolarHBondContact CD1-O 3.24Å; V58-K84 PolarHBondContact N-O 3.45Å; V58-K84 PolarHBondContact O-N 2.89Å; I60-K84 HydrophobicContact CD1-CD 4.37Å; I60-K84 HydrophobicContact CG1-CB 4.42Å; I60-K84 HydrophobicContact CG1-CD 4.03Å; I60-K84 HydrophobicContact CG1-CG 3.97Å; K84-T89 HydrophobicContact CB-CG2 4.07Å; K84-T89 HydrophobicContact CD-CG2 3.74Å; K84-T89 HydrophobicContact CG-CG2 3.88Å; K84-T90 PolarHBondContact NZ-O 2.93Å; K84-F91 HydrophobicContact CB-CE1 3.77Å; K84-F91 HydrophobicContact CB-CZ 3.95Å; K84-F91 HydrophobicContact CD-CD1 3.95Å; K84-F91 HydrophobicContact CD-CE1 3.79Å; K84-F91 HydrophobicContact CD-CZ 4.48Å; K84-F91 HydrophobicContact CG-CE1 4.41Å; K84-E95 VanDerWaalsContact CE-OE1 3.27Å; K84-E95 WeakPolarHBondContact CE-OE1 3.4Å; K84-E95 IonicContact NZ-OE1 2.99Å; K84-E95 PolarHBondContact NZ-OE1 2.94Å; K84-E95 IonicContact NZ-OE2 2.67Å; K84-E95 PolarHBondContact NZ-OE2 2.87Å |
| 85 | S | 96.1 | Very high | 94 | Very high | 11 Ų | 11 | 69.8 Ų | 69.8 | 8% | 0.077 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 131.5 | 173.9 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | S87 M88 T89 F91 | S85-S87 PolarHBondContact O-N 3.37Å; S85-S87 PolarHBondContact OG-N 3.38Å; S85-M88 PolarHBondContact OG-N 3.27Å; S85-T89 PolarHBondContact N-OG1 2.83Å; S85-T89 VanDerWaalsContact N-OG1 3.09Å; S85-T89 WeakPolarHBondContact O-CB 3.37Å; S85-T89 PolarHBondContact O-N 3Å; S85-T89 PolarHBondContact O-OG1 3.24Å; S85-F91 WeakPolarHBondContact O-CZ 3.45Å |
| 86 | I | 94.7 | Very high | 94 | Very high | 13 Ų | 13 | 62 Ų | 62 | 7% | 0.067 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -31.1 | 175.8 | -65.1 | 170.9 | 0 | 0 | 0 | 111.3 | V33 R34 V55 T56 V58 F65 | V33-I86 HydrophobicContact CG1-CG1 4.33Å; V33-I86 HydrophobicContact CG1-CG2 4.44Å; R34-I86 HydrophobicContact CB-CG2 4.43Å; R34-I86 HydrophobicContact CG-CG2 3.54Å; R34-I86 PolarHBondContact NE-O 3.23Å; V55-I86 HydrophobicContact CB-CD1 4.39Å; V55-I86 HydrophobicContact CG2-CD1 4.14Å; T56-I86 WeakPolarHBondContact O-CB 3.42Å; T56-I86 PolarHBondContact O-N 3.4Å; V58-I86 HydrophobicContact CG2-CD1 4.07Å; V58-I86 HydrophobicContact CG2-CG1 3.44Å; V58-I86 VanDerWaalsContact CG2-CG1 3.44Å; F65-I86 HydrophobicContact CD1-CD1 4.08Å |
| 87 | S | 92.1 | Very high | 94.1 | Very high | 78 Ų | 78 | 63.4 Ų | 63.4 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -24.2 | -172.7 | -64.2 | 0 | 0 | 0 | 0 | 114.4 | R34 S85 | R34-S87 PolarHBondContact NH2-O 3.2Å; R34-S87 VanDerWaalsContact NH2-O 3.12Å; S85-S87 PolarHBondContact O-N 3.37Å; S85-S87 PolarHBondContact OG-N 3.38Å |
| 88 | M | 92.3 | Very high | 94.1 | Very high | 162 Ų | 162 | 66 Ų | 66 | 80% | 0.798 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | -0.8 | -166.7 | -54 | 169.7 | 69.3 | 0 | 0 | 114.6 | S85 | S85-M88 PolarHBondContact OG-N 3.27Š|
| 89 | T | 93.7 | Very high | 94.2 | Very high | 48 Ų | 48 | 59.8 Ų | 59.8 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -123.6 | 139.3 | -176.4 | -46.6 | 0 | 0 | 0 | 0 | 110.3 | K84 S85 F91 | K84-T89 HydrophobicContact CB-CG2 4.07Å; K84-T89 HydrophobicContact CD-CG2 3.74Å; K84-T89 HydrophobicContact CG-CG2 3.88Å; S85-T89 PolarHBondContact N-OG1 2.83Å; S85-T89 VanDerWaalsContact N-OG1 3.09Å; S85-T89 WeakPolarHBondContact O-CB 3.37Å; S85-T89 PolarHBondContact O-N 3Å; S85-T89 PolarHBondContact O-OG1 3.24Å; T89-F91 VanDerWaalsContact O-CD2 3.28Å; T89-F91 WeakPolarHBondContact O-CD2 3.42Å; T89-F91 WeakPolarHBondContact O-CE2 3.43Å |
| 90 | T | 92.7 | Very high | 94.2 | Very high | 90 Ų | 90 | 59 Ų | 59 | 55% | 0.552 | 32% | 0.316 | S | S | * | . | trans | -75.3 | 143.1 | 171 | 49 | 0 | 0 | 0 | 0 | 111.1 | K84 | K84-T90 PolarHBondContact NZ-O 2.93Š| ||
| 91 | F | 94.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | trans | -113.6 | 141 | 177.4 | -63.5 | -91.4 | 0 | 0 | 0 | 109.5 | W29 V33 V58 I60 K84 S85 T89 V96 | W29-F91 HydrophobicContact CB-CB 4.42Å; W29-F91 WeakPolarHBondContact CB-O 3.46Å; V33-F91 HydrophobicContact CB-CD2 4.23Å; V33-F91 HydrophobicContact CB-CE2 4.25Å; V33-F91 HydrophobicContact CG1-CD2 4.43Å; V33-F91 HydrophobicContact CG1-CE1 4.19Å; V33-F91 HydrophobicContact CG1-CE2 4Å; V33-F91 HydrophobicContact CG1-CZ 3.88Å; V33-F91 HydrophobicContact CG2-CB 4.21Å; V33-F91 HydrophobicContact CG2-CD1 4Å; V33-F91 HydrophobicContact CG2-CD2 3.98Å; V33-F91 HydrophobicContact CG2-CE1 4.37Å; V33-F91 HydrophobicContact CG2-CE2 4.37Å; V33-F91 HydrophobicContact CG2-CG 3.79Å; V58-F91 HydrophobicContact CB-CE1 4.38Å; V58-F91 HydrophobicContact CG2-CE1 4.26Å; V58-F91 HydrophobicContact CG2-CZ 4.21Å; I60-F91 HydrophobicContact CD1-CD1 4.33Å; I60-F91 HydrophobicContact CD1-CE1 4.13Å; K84-F91 HydrophobicContact CB-CE1 3.77Å; K84-F91 HydrophobicContact CB-CZ 3.95Å; K84-F91 HydrophobicContact CD-CD1 3.95Å; K84-F91 HydrophobicContact CD-CE1 3.79Å; K84-F91 HydrophobicContact CD-CZ 4.48Å; K84-F91 HydrophobicContact CG-CE1 4.41Å; S85-F91 WeakPolarHBondContact O-CZ 3.45Å; T89-F91 VanDerWaalsContact O-CD2 3.28Å; T89-F91 WeakPolarHBondContact O-CD2 3.42Å; T89-F91 WeakPolarHBondContact O-CE2 3.43Å; F91-V96 HydrophobicContact CB-CG2 3.68Å | ||
| 92 | T | 94 | Very high | 93.8 | Very high | 73 Ų | 73 | 59.9 Ų | 59.9 | 45% | 0.448 | 32% | 0.319 | S | S | . | . | trans | -91.2 | 155.5 | 172.5 | 64.2 | 0 | 0 | 0 | 0 | 110.4 | E95 V96 | T92-E95 PolarHBondContact N-OE2 3.3Å; T92-E95 WeakPolarHBondContact O-CB 3.49Å; T92-E95 PolarHBondContact O-N 2.91Å; T92-E95 WeakPolarHBondContact OG1-CG 3.48Å; T92-V96 PolarHBondContact O-N 3.46Å; T92-V96 VanDerWaalsContact O-N 3.08Å | ||
| 93 | E | 93.5 | Very high | 93.6 | Very high | 110 Ų | 110 | 53 Ų | 53 | 51% | 0.514 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -44.2 | -53.7 | 176 | 178.1 | 166.3 | -158.1 | 0 | 0 | 114.2 | W29 E95 V96 V97 | W29-E93 HydrophobicContact CD2-CB 4.34Å; W29-E93 HydrophobicContact CH2-CB 4.25Å; W29-E93 HydrophobicContact CH2-CG 3.75Å; W29-E93 HydrophobicContact CZ2-CB 3.56Å; W29-E93 HydrophobicContact CZ2-CG 3.46Å; W29-E93 VanDerWaalsContact CZ2-CG 3.46Å; E93-E95 VanDerWaalsContact C-N 3.28Å; E93-E95 PolarHBondContact O-N 2.97Å; E93-V96 PolarHBondContact O-N 2.95Å; E93-V96 VanDerWaalsContact O-N 3.09Å; E93-V97 HydrophobicContact CG-CG2 4.16Å; E93-V97 WeakPolarHBondContact O-CG2 3.39Å; E93-V97 PolarHBondContact O-N 3.26Å |
| 94 | P | 94.9 | Very high | 93.4 | Very high | 91 Ų | 91 | 51.5 Ų | 51.5 | 59% | 0.591 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.7 | -29.8 | -179.4 | 24.2 | -35.2 | 0 | 0 | 0 | 113.5 | F98 | P94-F98 VanDerWaalsContact O-CB 3.23Å; P94-F98 WeakPolarHBondContact O-CB 3.39Å; P94-F98 PolarHBondContact O-N 3.41Å |
| 95 | E | 94.8 | Very high | 93.1 | Very high | 23 Ų | 23 | 52.8 Ų | 52.8 | 11% | 0.107 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.6 | -43.4 | 173.1 | -66.9 | 175.3 | 147.7 | 0 | 0 | 110.8 | I60 R82 K84 T92 E93 F98 L99 | I60-E95 HydrophobicContact CD1-CB 4.5Å; I60-E95 HydrophobicContact CG2-CG 4.05Å; R82-E95 IonicContact NH2-OE1 3.92Å; K84-E95 VanDerWaalsContact CE-OE1 3.27Å; K84-E95 WeakPolarHBondContact CE-OE1 3.4Å; K84-E95 IonicContact NZ-OE1 2.99Å; K84-E95 PolarHBondContact NZ-OE1 2.94Å; K84-E95 IonicContact NZ-OE2 2.67Å; K84-E95 PolarHBondContact NZ-OE2 2.87Å; T92-E95 PolarHBondContact N-OE2 3.3Å; T92-E95 WeakPolarHBondContact O-CB 3.49Å; T92-E95 PolarHBondContact O-N 2.91Å; T92-E95 WeakPolarHBondContact OG1-CG 3.48Å; E93-E95 VanDerWaalsContact C-N 3.28Å; E93-E95 PolarHBondContact O-N 2.97Å; E95-F98 PolarHBondContact O-N 2.99Å; E95-L99 WeakPolarHBondContact O-CD1 3.4Å; E95-L99 WeakPolarHBondContact O-CG 3.26Å; E95-L99 PolarHBondContact O-N 3.48Å |
| 96 | V | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.7 | -37.4 | 178.5 | -171.7 | 0 | 0 | 0 | 0 | 111.9 | W29 R32 V33 L36 F91 T92 E93 L99 Q100 | W29-V96 HydrophobicContact CB-CG2 3.78Å; W29-V96 HydrophobicContact CD2-CG2 4.4Å; W29-V96 HydrophobicContact CE3-CB 3.92Å; W29-V96 HydrophobicContact CE3-CG1 4.03Å; W29-V96 HydrophobicContact CE3-CG2 4.13Å; W29-V96 HydrophobicContact CG-CG2 4.28Å; R32-V96 HydrophobicContact CB-CG1 4.02Å; R32-V96 HydrophobicContact CG-CG1 3.68Å; V33-V96 HydrophobicContact CG2-CB 4.37Å; V33-V96 HydrophobicContact CG2-CG1 4.07Å; V33-V96 HydrophobicContact CG2-CG2 3.6Å; L36-V96 HydrophobicContact CD1-CG1 4.22Å; F91-V96 HydrophobicContact CB-CG2 3.68Å; T92-V96 PolarHBondContact O-N 3.46Å; T92-V96 VanDerWaalsContact O-N 3.08Å; E93-V96 PolarHBondContact O-N 2.95Å; E93-V96 VanDerWaalsContact O-N 3.09Å; V96-L99 PolarHBondContact O-N 2.89Å; V96-Q100 WeakPolarHBondContact O-CG 3.49Å; V96-Q100 PolarHBondContact O-N 3.33Å |
| 97 | V | 94.3 | Very high | 92.8 | Very high | 74 Ų | 74 | 54 Ų | 54 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 174.1 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | E93 L99 Q100 S101 | E93-V97 HydrophobicContact CG-CG2 4.16Å; E93-V97 WeakPolarHBondContact O-CG2 3.39Å; E93-V97 PolarHBondContact O-N 3.26Å; V97-L99 VanDerWaalsContact C-N 3.33Å; V97-L99 PolarHBondContact O-N 2.91Å; V97-Q100 PolarHBondContact O-N 2.96Å; V97-S101 PolarHBondContact O-N 3.06Å |
| 98 | F | 93.9 | Very high | 92.8 | Very high | 62 Ų | 62 | 53.9 Ų | 53.9 | 27% | 0.272 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 172.9 | 177.5 | -112.1 | 0 | 0 | 0 | 111.9 | I60 P94 E95 S101 R102 | I60-F98 WeakPolarHBondContact O-CE1 3.45Å; P94-F98 VanDerWaalsContact O-CB 3.23Å; P94-F98 WeakPolarHBondContact O-CB 3.39Å; P94-F98 PolarHBondContact O-N 3.41Å; E95-F98 PolarHBondContact O-N 2.99Å; F98-S101 PolarHBondContact O-N 3.21Å; F98-S101 VanDerWaalsContact O-N 3.15Å; F98-S101 PolarHBondContact O-OG 3.35Å; F98-R102 HydrophobicContact CE2-CG 4.45Å; F98-R102 PolarHBondContact O-N 2.92Å; F98-R102 VanDerWaalsContact O-N 3.15Å |
| 99 | L | 93.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 176.9 | -69.3 | 164.8 | 0 | 0 | 0 | 113.3 | V33 L36 V58 I60 F65 E95 V96 V97 S101 R102 G103 | V33-L99 HydrophobicContact CG2-CD1 4.18Å; L36-L99 HydrophobicContact CD1-CB 4.49Å; V58-L99 HydrophobicContact CG1-CD1 3.69Å; V58-L99 HydrophobicContact CG1-CD2 3.23Å; V58-L99 HydrophobicContact CG1-CG 4.08Å; I60-L99 HydrophobicContact CD1-CD1 4.02Å; F65-L99 HydrophobicContact CE2-CD2 4.46Å; E95-L99 WeakPolarHBondContact O-CD1 3.4Å; E95-L99 WeakPolarHBondContact O-CG 3.26Å; E95-L99 PolarHBondContact O-N 3.48Å; V96-L99 PolarHBondContact O-N 2.89Å; V97-L99 VanDerWaalsContact C-N 3.33Å; V97-L99 PolarHBondContact O-N 2.91Å; L99-S101 VanDerWaalsContact C-N 3.3Å; L99-R102 CarbonylContact O-C 3.5Å; L99-R102 PolarHBondContact O-N 3.41Å; L99-G103 PolarHBondContact O-N 2.81Å |
| 100 | Q | 91.4 | Very high | 92.7 | Very high | 80 Ų | 80 | 49 Ų | 49 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.3 | -33.6 | 172 | -73.6 | -177.5 | 99.5 | 0 | 0 | 112.2 | L36 V96 V97 R102 | L36-Q100 HydrophobicContact CD1-CG 3.48Å; L36-Q100 VanDerWaalsContact CD1-CG 3.48Å; L36-Q100 HydrophobicContact CD2-CG 3.86Å; L36-Q100 HydrophobicContact CG-CG 4.27Å; V96-Q100 WeakPolarHBondContact O-CG 3.49Å; V96-Q100 PolarHBondContact O-N 3.33Å; V97-Q100 PolarHBondContact O-N 2.96Å; Q100-R102 VanDerWaalsContact C-N 3.33Å |
| 101 | S | 90.8 | Very high | 92.6 | Very high | 71 Ų | 71 | 46 Ų | 46 | 50% | 0.497 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -75.2 | -17.4 | 176.8 | 81.9 | 0 | 0 | 0 | 0 | 114.6 | V97 F98 L99 | V97-S101 PolarHBondContact O-N 3.06Å; F98-S101 PolarHBondContact O-N 3.21Å; F98-S101 VanDerWaalsContact O-N 3.15Å; F98-S101 PolarHBondContact O-OG 3.35Å; L99-S101 VanDerWaalsContact C-N 3.3Å |
| 102 | R | 89.6 | Confident | 92.3 | Very high | 51 Ų | 51 | 47.8 Ų | 47.8 | 19% | 0.192 | 25% | 0.245 | C | C | . | . | trans | -117.1 | -101.3 | -179.5 | -70.8 | -166.8 | 171.9 | -159.4 | -2 | 112.2 | V62 F98 L99 Q100 V106 | V62-R102 WeakPolarHBondContact O-CD 3.47Å; V62-R102 PolarHBondContact O-NH1 3.19Å; F98-R102 HydrophobicContact CE2-CG 4.45Å; F98-R102 PolarHBondContact O-N 2.92Å; F98-R102 VanDerWaalsContact O-N 3.15Å; L99-R102 CarbonylContact O-C 3.5Å; L99-R102 PolarHBondContact O-N 3.41Å; Q100-R102 VanDerWaalsContact C-N 3.33Å; R102-V106 HydrophobicContact CB-CB 4.43Å; R102-V106 HydrophobicContact CG-CG1 4.32Å; R102-V106 VanDerWaalsContact O-CG2 3.26Å; R102-V106 WeakPolarHBondContact O-CG2 3.25Å | ||
| 103 | G | 90.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | 73.4 | 172.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G63 L99 E105 V106 C107 | G63-G103 PolarHBondContact O-N 3.23Å; L99-G103 PolarHBondContact O-N 2.81Å; G103-E105 VanDerWaalsContact C-N 3.26Å; G103-E105 PolarHBondContact O-N 3.25Å; G103-V106 PolarHBondContact O-N 3.42Å; G103-C107 PolarHBondContact O-N 2.94Å; G103-C107 PolarHBondContact O-SG 3.15Å; G103-C107 VanDerWaalsContact O-SG 3.4Å |
| 104 | N | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.5 | -28.1 | -167.3 | -72.4 | 2 | 0 | 0 | 0 | 113.2 | N44 H46 F48 S64 F65 R108 | N44-N104 WeakPolarHBondContact OD1-CB 3.45Å; N44-N104 PolarHBondContact OD1-N 3.43Å; H46-N104 PolarHBondContact O-ND2 3.24Å; F48-N104 HydrophobicContact CD2-CB 4.42Å; S64-N104 WeakPolarHBondContact CA-OD1 3.5Å; S64-N104 WeakPolarHBondContact CB-OD1 3.31Å; F65-N104 PolarHBondContact N-OD1 2.73Å; F65-N104 PolarHBondContact O-ND2 2.91Å; N104-R108 WeakPolarHBondContact O-CB 3.37Å; N104-R108 WeakPolarHBondContact O-CG 3.38Å; N104-R108 PolarHBondContact O-N 2.9Å |
| 105 | E | 91.1 | Very high | 90.9 | Very high | 66 Ų | 66 | 44.4 Ų | 44.4 | 31% | 0.308 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.4 | -41.1 | 176.6 | -177.4 | 55.1 | -157.8 | 0 | 0 | 113.7 | A42 G103 R108 K109 | A42-E105 WeakPolarHBondContact O-CB 3.47Å; A42-E105 PolarHBondContact O-N 3.43Å; G103-E105 VanDerWaalsContact C-N 3.26Å; G103-E105 PolarHBondContact O-N 3.25Å; E105-R108 VanDerWaalsContact CA-NH2 3.26Å; E105-R108 IonicContact OE2-CZ 3.23Å; E105-R108 VanDerWaalsContact OE2-CZ 3.23Å; E105-R108 IonicContact OE2-NE 2.89Å; E105-R108 PolarHBondContact OE2-NE 2.95Å; E105-R108 IonicContact OE2-NH2 2.71Å; E105-R108 PolarHBondContact OE2-NH2 3.13Å; E105-K109 PolarHBondContact O-N 2.91Å; E105-K109 VanDerWaalsContact OE1-CE 3.22Å; E105-K109 WeakPolarHBondContact OE1-CE 3.4Å; E105-K109 IonicContact OE1-NZ 2.66Å; E105-K109 PolarHBondContact OE1-NZ 3.03Å |
| 106 | V | 91.4 | Very high | 90 | Very high | 50 Ų | 50 | 46.5 Ų | 46.5 | 30% | 0.303 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -72 | -40.8 | 174.6 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | R102 G103 R108 K109 I110 | R102-V106 HydrophobicContact CB-CB 4.43Å; R102-V106 HydrophobicContact CG-CG1 4.32Å; R102-V106 VanDerWaalsContact O-CG2 3.26Å; R102-V106 WeakPolarHBondContact O-CG2 3.25Å; G103-V106 PolarHBondContact O-N 3.42Å; V106-R108 VanDerWaalsContact C-N 3.35Å; V106-R108 PolarHBondContact O-N 3.05Å; V106-K109 PolarHBondContact O-N 3.41Å; V106-I110 HydrophobicContact CG1-CD1 3.82Å; V106-I110 WeakPolarHBondContact O-CG1 3.4Å; V106-I110 PolarHBondContact O-N 3.41Å |
| 107 | C | 92.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.5 | -34.3 | 177 | -67.6 | 0 | 0 | 0 | 0 | 113 | F48 V62 G63 G103 I110 W111 | F48-C107 HydrophobicContact CD1-CB 4.35Å; F48-C107 HydrophobicContact CE1-CB 3.83Å; F48-C107 HydrophobicContact CE2-CB 4.07Å; F48-C107 HydrophobicContact CZ-CB 3.72Å; F48-C107 VanDerWaalsContact CZ-O 3.24Å; F48-C107 WeakPolarHBondContact CZ-O 3.4Å; V62-C107 HydrophobicContact CG1-CB 4.23Å; V62-C107 PolarHBondContact O-SG 3.34Å; V62-C107 VanDerWaalsContact O-SG 3.38Å; G63-C107 PolarHBondContact O-SG 2.7Å; G63-C107 VanDerWaalsContact O-SG 3.37Å; G103-C107 PolarHBondContact O-N 2.94Å; G103-C107 PolarHBondContact O-SG 3.15Å; G103-C107 VanDerWaalsContact O-SG 3.4Å; C107-I110 PolarHBondContact O-N 3.48Å; C107-W111 PolarHBondContact O-N 2.76Å |
| 108 | R | 90.8 | Very high | 87.2 | Confident | 75 Ų | 75 | 57.3 Ų | 57.3 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.5 | -53.1 | 169 | -85.7 | -176.1 | -72.8 | -82.7 | 0.7 | 110.8 | A42 F48 N104 E105 V106 I110 L112 | A42-R108 PolarHBondContact O-NH2 3.33Å; A42-R108 VanDerWaalsContact O-NH2 3.15Å; F48-R108 HydrophobicContact CD2-CG 4.25Å; F48-R108 HydrophobicContact CE2-CB 4.27Å; F48-R108 HydrophobicContact CE2-CG 3.71Å; N104-R108 WeakPolarHBondContact O-CB 3.37Å; N104-R108 WeakPolarHBondContact O-CG 3.38Å; N104-R108 PolarHBondContact O-N 2.9Å; E105-R108 VanDerWaalsContact CA-NH2 3.26Å; E105-R108 IonicContact OE2-CZ 3.23Å; E105-R108 VanDerWaalsContact OE2-CZ 3.23Å; E105-R108 IonicContact OE2-NE 2.89Å; E105-R108 PolarHBondContact OE2-NE 2.95Å; E105-R108 IonicContact OE2-NH2 2.71Å; E105-R108 PolarHBondContact OE2-NH2 3.13Å; V106-R108 VanDerWaalsContact C-N 3.35Å; V106-R108 PolarHBondContact O-N 3.05Å; R108-I110 VanDerWaalsContact C-N 3.28Å; R108-I110 PolarHBondContact O-N 3.02Å; R108-L112 CarbonylContact O-C 3.36Å; R108-L112 VanDerWaalsContact O-CA 3.29Å; R108-L112 WeakPolarHBondContact O-CA 3.3Å; R108-L112 VanDerWaalsContact O-CB 3.3Å; R108-L112 WeakPolarHBondContact O-CB 3.47Å; R108-L112 PolarHBondContact O-N 3.39Å |
| 109 | K | 91.4 | Very high | 85.5 | Confident | 107 Ų | 107 | 59.7 Ų | 59.7 | 47% | 0.465 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.1 | -29.5 | -178 | -69.9 | 160.5 | 170.4 | 150.2 | 0 | 113.5 | E105 V106 G113 V151 | E105-K109 PolarHBondContact O-N 2.91Å; E105-K109 VanDerWaalsContact OE1-CE 3.22Å; E105-K109 WeakPolarHBondContact OE1-CE 3.4Å; E105-K109 IonicContact OE1-NZ 2.66Å; E105-K109 PolarHBondContact OE1-NZ 3.03Å; V106-K109 PolarHBondContact O-N 3.41Å; K109-G113 VanDerWaalsContact O-CA 3.25Å; K109-G113 WeakPolarHBondContact O-CA 3.43Å; K109-V151 HydrophobicContact CB-CG1 3.54Å; K109-V151 HydrophobicContact CB-CG2 4.41Å; K109-V151 HydrophobicContact CD-CG1 4.48Å; K109-V151 WeakPolarHBondContact O-CG2 3.26Å |
| 110 | I | 92.6 | Very high | 83.9 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -77.5 | -55.2 | 175.6 | -67.6 | 169.3 | 0 | 0 | 0 | 111.8 | V106 C107 R108 Y145 V146 P148 V151 | V106-I110 HydrophobicContact CG1-CD1 3.82Å; V106-I110 WeakPolarHBondContact O-CG1 3.4Å; V106-I110 PolarHBondContact O-N 3.41Å; C107-I110 PolarHBondContact O-N 3.48Å; R108-I110 VanDerWaalsContact C-N 3.28Å; R108-I110 PolarHBondContact O-N 3.02Å; I110-Y145 HydrophobicContact CG2-CD2 3.83Å; I110-Y145 HydrophobicContact CG2-CE2 3.46Å; I110-Y145 VanDerWaalsContact CG2-CE2 3.46Å; I110-Y145 CarbonylContact O-C 3.54Å; I110-Y145 WeakPolarHBondContact O-CA 3.36Å; I110-V146 PolarHBondContact O-N 2.91Å; I110-P148 HydrophobicContact CD1-CB 3.94Å; I110-P148 HydrophobicContact CG1-CB 4.36Å; I110-V151 HydrophobicContact CG1-CB 4.49Å; I110-V151 HydrophobicContact CG1-CG1 4.46Å; I110-V151 HydrophobicContact CG1-CG2 4.04Å |
| 111 | W | 91.5 | Very high | 82.4 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 10% | 0.098 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -95.8 | -9.8 | -168.8 | -63.4 | 96.9 | 0 | 0 | 0 | 114.9 | F48 V62 C107 K138 Y139 K142 W144 Y145 | F48-W111 HydrophobicContact CE1-CB 4.39Å; F48-W111 HydrophobicContact CZ-CB 4.11Å; V62-W111 HydrophobicContact CG2-CZ2 4.26Å; C107-W111 PolarHBondContact O-N 2.76Å; W111-K138 HydrophobicContact CB-CG 4.32Å; W111-Y139 AromaticContact CD2-CD1 3.78Å; W111-Y139 HydrophobicContact CD2-CD1 3.78Å; W111-Y139 AromaticContact CD2-CE1 3.54Å; W111-Y139 HydrophobicContact CD2-CE1 3.54Å; W111-Y139 AromaticContact CE2-CE1 3.8Å; W111-Y139 AromaticContact CE3-CD1 3.47Å; W111-Y139 HydrophobicContact CE3-CD1 3.47Å; W111-Y139 VanDerWaalsContact CE3-CD1 3.47Å; W111-Y139 AromaticContact CE3-CE1 3.74Å; W111-Y139 HydrophobicContact CE3-CE1 3.74Å; W111-Y139 AromaticContact CG-CE1 3.91Å; W111-Y139 HydrophobicContact CG-CE1 3.91Å; W111-Y139 AromaticContact CH2-CD1 3.85Å; W111-Y139 HydrophobicContact CH2-CD1 3.85Å; W111-Y139 HydrophobicContact CH2-CE1 4.4Å; W111-Y139 HydrophobicContact CZ2-CD1 4.12Å; W111-Y139 HydrophobicContact CZ2-CE1 4.23Å; W111-Y139 AromaticContact CZ3-CD1 3.52Å; W111-Y139 HydrophobicContact CZ3-CD1 3.52Å; W111-Y139 HydrophobicContact CZ3-CE1 4.18Å; W111-Y139 HydrophobicContact CZ3-CG 4.47Å; W111-K142 HydrophobicContact CZ3-CG 4.31Å; W111-W144 CarbonylContact C-O 3.47Å; W111-Y145 AromaticContact CD2-CD2 3.81Å; W111-Y145 HydrophobicContact CD2-CD2 3.81Å; W111-Y145 HydrophobicContact CD2-CE2 4.3Å; W111-Y145 AromaticContact CE3-CD2 3.51Å; W111-Y145 HydrophobicContact CE3-CD2 3.51Å; W111-Y145 HydrophobicContact CE3-CE2 4.28Å; W111-Y145 HydrophobicContact CE3-CG 4.36Å; W111-Y145 AromaticContact CH2-CD2 3.84Å; W111-Y145 HydrophobicContact CH2-CD2 3.84Å; W111-Y145 AromaticContact CH2-CE2 3.88Å; W111-Y145 HydrophobicContact CH2-CE2 3.88Å; W111-Y145 HydrophobicContact CZ2-CD2 4.11Å; W111-Y145 AromaticContact CZ2-CE2 3.9Å; W111-Y145 HydrophobicContact CZ2-CE2 3.9Å; W111-Y145 AromaticContact CZ3-CD2 3.51Å; W111-Y145 HydrophobicContact CZ3-CD2 3.51Å; W111-Y145 HydrophobicContact CZ3-CE2 4.07Å; W111-Y145 HydrophobicContact CZ3-CG 4.28Å |
| 112 | L | 88.8 | Confident | 81.1 | Confident | 41 Ų | 41 | 65 Ų | 65 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -130 | 21.8 | 177.9 | -58.9 | 172.5 | 0 | 0 | 0 | 110.2 | F48 R108 L114 F115 F134 K138 | F48-L112 HydrophobicContact CE2-CD1 4.31Å; R108-L112 CarbonylContact O-C 3.36Å; R108-L112 VanDerWaalsContact O-CA 3.29Å; R108-L112 WeakPolarHBondContact O-CA 3.3Å; R108-L112 VanDerWaalsContact O-CB 3.3Å; R108-L112 WeakPolarHBondContact O-CB 3.47Å; R108-L112 PolarHBondContact O-N 3.39Å; L112-L114 VanDerWaalsContact C-N 3.25Å; L112-L114 PolarHBondContact O-N 3.23Å; L112-F115 HydrophobicContact CB-CB 3.75Å; L112-F115 HydrophobicContact CB-CG 4.37Å; L112-F115 HydrophobicContact CD2-CB 3.92Å; L112-F115 HydrophobicContact CD2-CD1 4.45Å; L112-F115 HydrophobicContact CD2-CD2 3.89Å; L112-F115 HydrophobicContact CD2-CG 3.84Å; L112-F115 HydrophobicContact CG-CB 4.44Å; L112-F115 WeakPolarHBondContact O-CB 3.12Å; L112-F115 PolarHBondContact O-N 2.79Å; L112-F134 HydrophobicContact CD2-CZ 4.27Å; L112-K138 HydrophobicContact CD2-CD 4.3Å |
| 113 | G | 86.1 | Confident | 79.9 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 42% | 0.423 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -25.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | K109 W144 | K109-G113 VanDerWaalsContact O-CA 3.25Å; K109-G113 WeakPolarHBondContact O-CA 3.43Å; G113-W144 PolarHBondContact N-O 3.37Å |
| 114 | L | 83.3 | Confident | 78.7 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 64% | 0.644 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 11.6 | 172.4 | -56.1 | 173.9 | 0 | 0 | 0 | 112.6 | L112 D116 W144 V146 | L112-L114 VanDerWaalsContact C-N 3.25Å; L112-L114 PolarHBondContact O-N 3.23Å; L114-D116 PolarHBondContact O-N 2.8Å; L114-W144 HydrophobicContact CB-CB 4.44Å; L114-V146 HydrophobicContact CD1-CG2 4.37Å; L114-V146 HydrophobicContact CD2-CG2 4.29Å; L114-V146 HydrophobicContact CG-CG2 3.81Å |
| 115 | F | 82.8 | Confident | 77.3 | Confident | 38 Ų | 38 | 70.8 Ų | 70.8 | 17% | 0.167 | 38% | 0.38 | C | S | . | . | trans | -86.2 | 107.4 | -177.4 | -177.7 | -88.5 | 0 | 0 | 0 | 110.5 | L112 A117 S120 V122 F134 W144 | L112-F115 HydrophobicContact CB-CB 3.75Å; L112-F115 HydrophobicContact CB-CG 4.37Å; L112-F115 HydrophobicContact CD2-CB 3.92Å; L112-F115 HydrophobicContact CD2-CD1 4.45Å; L112-F115 HydrophobicContact CD2-CD2 3.89Å; L112-F115 HydrophobicContact CD2-CG 3.84Å; L112-F115 HydrophobicContact CG-CB 4.44Å; L112-F115 WeakPolarHBondContact O-CB 3.12Å; L112-F115 PolarHBondContact O-N 2.79Å; F115-A117 HydrophobicContact CE1-CB 4.04Å; F115-S120 WeakPolarHBondContact CZ-O 3.34Å; F115-V122 HydrophobicContact CE1-CG2 4.1Å; F115-V122 HydrophobicContact CZ-CG2 3.83Å; F115-F134 HydrophobicContact CD2-CE2 4.45Å; F115-F134 AromaticContact CE2-CE2 3.78Å; F115-F134 HydrophobicContact CE2-CE2 3.78Å; F115-F134 HydrophobicContact CE2-CZ 4.1Å; F115-W144 HydrophobicContact CB-CB 4.11Å; F115-W144 HydrophobicContact CB-CG 3.94Å; F115-W144 AromaticContact CD2-CD2 3.79Å; F115-W144 HydrophobicContact CD2-CD2 3.79Å; F115-W144 AromaticContact CD2-CE2 3.69Å; F115-W144 HydrophobicContact CD2-CE3 4.26Å; F115-W144 HydrophobicContact CD2-CG 4.08Å; F115-W144 HydrophobicContact CD2-CZ2 4.1Å; F115-W144 AromaticContact CD2-NE1 3.88Å; F115-W144 HydrophobicContact CE2-CZ2 4.27Å | ||
| 116 | D | 75.6 | Confident | 76.3 | Confident | 67 Ų | 67 | 77.9 Ų | 77.9 | 36% | 0.358 | 40% | 0.404 | S | S | . | . | trans | -88.5 | 116.9 | 167.2 | 164 | 42.9 | 0 | 0 | 0 | 110.6 | L114 R118 T119 S120 | L114-D116 PolarHBondContact O-N 2.8Å; D116-R118 PolarHBondContact O-N 3.29Å; D116-R118 WeakPolarHBondContact OD1-CB 3.46Å; D116-R118 PolarHBondContact OD1-N 3.32Å; D116-T119 WeakPolarHBondContact CB-OG1 3.42Å; D116-T119 PolarHBondContact O-N 2.99Å; D116-T119 PolarHBondContact O-OG1 2.85Å; D116-T119 WeakPolarHBondContact OD2-CB 3.5Å; D116-T119 VanDerWaalsContact OD2-CG2 3.26Å; D116-T119 WeakPolarHBondContact OD2-CG2 3.26Å; D116-T119 PolarHBondContact OD2-N 2.85Å; D116-T119 PolarHBondContact OD2-OG1 2.97Å; D116-S120 WeakPolarHBondContact O-CB 3.47Å; D116-S120 PolarHBondContact O-N 2.83Å | ||
| 117 | A | 69.5 | Low | 75.8 | Confident | 74 Ų | 74 | 77.6 Ų | 77.6 | 61% | 0.612 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -7.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F115 | F115-A117 HydrophobicContact CE1-CB 4.04Š|
| 118 | R | 61.6 | Low | 75.3 | Confident | 228 Ų | 228 | 81.6 Ų | 81.6 | 86% | 0.86 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -27.9 | 173.9 | -60 | 179.9 | 61.1 | 176.3 | -2.9 | 113.3 | D116 | D116-R118 PolarHBondContact O-N 3.29Å; D116-R118 WeakPolarHBondContact OD1-CB 3.46Å; D116-R118 PolarHBondContact OD1-N 3.32Å |
| 119 | T | 58 | Low | 75 | Confident | 112 Ų | 112 | 82.8 Ų | 82.8 | 69% | 0.687 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -30.3 | 179.6 | 49.5 | 0 | 0 | 0 | 0 | 113 | D116 | D116-T119 WeakPolarHBondContact CB-OG1 3.42Å; D116-T119 PolarHBondContact O-N 2.99Å; D116-T119 PolarHBondContact O-OG1 2.85Å; D116-T119 WeakPolarHBondContact OD2-CB 3.5Å; D116-T119 VanDerWaalsContact OD2-CG2 3.26Å; D116-T119 WeakPolarHBondContact OD2-CG2 3.26Å; D116-T119 PolarHBondContact OD2-N 2.85Å; D116-T119 PolarHBondContact OD2-OG1 2.97Å |
| 120 | S | 59.6 | Low | 74.8 | Confident | 19 Ų | 19 | 83.2 Ų | 83.2 | 13% | 0.133 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -100.9 | 101.6 | 178.1 | -55.6 | 0 | 0 | 0 | 0 | 109.5 | F115 D116 V122 | F115-S120 WeakPolarHBondContact CZ-O 3.34Å; D116-S120 WeakPolarHBondContact O-CB 3.47Å; D116-S120 PolarHBondContact O-N 2.83Å; S120-V122 PolarHBondContact O-N 2.73Å |
| 121 | L | 58.9 | Low | 74.5 | Confident | 155 Ų | 155 | 83.8 Ų | 83.8 | 81% | 0.812 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 118.6 | 175.8 | -65.4 | 176.6 | 0 | 0 | 0 | 109.9 | ||
| 122 | V | 64.1 | Low | 74.3 | Confident | 90 Ų | 90 | 85.9 Ų | 85.9 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 127.3 | 164.6 | 179.8 | 0 | 0 | 0 | 0 | 107.3 | F115 S120 | F115-V122 HydrophobicContact CE1-CG2 4.1Å; F115-V122 HydrophobicContact CZ-CG2 3.83Å; S120-V122 PolarHBondContact O-N 2.73Å |
| 123 | P | 65.4 | Low | 74.4 | Confident | 27 Ų | 27 | 88.3 Ų | 88.3 | 18% | 0.175 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 143.4 | -179.5 | -23.1 | 31.3 | 0 | 0 | 0 | 111.8 | S125 K130 V131 F134 | P123-S125 PolarHBondContact O-N 3.41Å; P123-K130 HydrophobicContact CB-CB 4.28Å; P123-V131 HydrophobicContact CB-CG2 4.05Å; P123-F134 HydrophobicContact CG-CB 3.4Å; P123-F134 VanDerWaalsContact CG-CB 3.4Å; P123-F134 HydrophobicContact CG-CD1 3.96Å; P123-F134 HydrophobicContact CG-CD2 4.23Å; P123-F134 HydrophobicContact CG-CG 3.6Å |
| 124 | D | 64.8 | Low | 74.5 | Confident | 90 Ų | 90 | 87.5 Ų | 87.5 | 48% | 0.481 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 116.5 | 165.8 | -176.7 | -7.6 | 0 | 0 | 0 | 108.4 | R126 D127 | D124-R126 PolarHBondContact O-N 3.09Å; D124-R126 WeakPolarHBondContact OD1-CB 3.39Å; D124-R126 VanDerWaalsContact OD1-CG 3.31Å; D124-R126 WeakPolarHBondContact OD1-CG 3.17Å; D124-R126 PolarHBondContact OD1-N 3.28Å; D124-R126 WeakPolarHBondContact OD2-CD 3.19Å; D124-D127 PolarHBondContact O-N 3.38Å |
| 125 | S | 64.4 | Low | 74.9 | Confident | 57 Ų | 57 | 81.7 Ų | 81.7 | 40% | 0.399 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -9 | -179.1 | 64.9 | 0 | 0 | 0 | 0 | 114.9 | Q52 P123 | Q52-S125 PolarHBondContact NE2-OG 2.87Å; P123-S125 PolarHBondContact O-N 3.41Å |
| 126 | R | 69 | Low | 75.4 | Confident | 215 Ų | 215 | 82.4 Ų | 82.4 | 81% | 0.811 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -23.7 | 172.6 | -68.3 | 170.4 | 166.6 | -178.9 | -5 | 114.2 | D124 P128 | D124-R126 PolarHBondContact O-N 3.09Å; D124-R126 WeakPolarHBondContact OD1-CB 3.39Å; D124-R126 VanDerWaalsContact OD1-CG 3.31Å; D124-R126 WeakPolarHBondContact OD1-CG 3.17Å; D124-R126 PolarHBondContact OD1-N 3.28Å; D124-R126 WeakPolarHBondContact OD2-CD 3.19Å; R126-P128 WeakPolarHBondContact O-CD 3.35Å |
| 127 | D | 81.1 | Confident | 76.1 | Confident | 44 Ų | 44 | 81.1 Ų | 81.1 | 24% | 0.235 | 41% | 0.41 | C | S | . | . | trans | -104.3 | 101.7 | -176.3 | -172.5 | -33.1 | 0 | 0 | 0 | 111.1 | D124 Q129 K130 V131 | D124-D127 PolarHBondContact O-N 3.38Å; D127-Q129 PolarHBondContact O-N 2.84Å; D127-Q129 WeakPolarHBondContact OD1-CB 3.43Å; D127-Q129 PolarHBondContact OD1-N 2.95Å; D127-K130 HydrophobicContact CB-CB 4.14Å; D127-K130 HydrophobicContact CB-CD 4.27Å; D127-K130 HydrophobicContact CB-CG 4.26Å; D127-K130 PolarHBondContact O-N 3.09Å; D127-K130 PolarHBondContact OD1-N 2.72Å; D127-K130 WeakPolarHBondContact OD2-CD 3.43Å; D127-K130 WeakPolarHBondContact OD2-CE 3.21Å; D127-K130 WeakPolarHBondContact OD2-CG 3.48Å; D127-K130 IonicContact OD2-NZ 2.64Å; D127-K130 PolarHBondContact OD2-NZ 2.87Å; D127-V131 VanDerWaalsContact O-CG2 3.29Å; D127-V131 WeakPolarHBondContact O-CG2 3.37Å; D127-V131 PolarHBondContact O-N 3.27Å | ||
| 128 | P | 81.6 | Confident | 77.1 | Confident | 83 Ų | 83 | 77.7 Ų | 77.7 | 54% | 0.539 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.5 | -23.4 | -175.9 | 28.6 | -35.4 | 0 | 0 | 0 | 113.1 | R126 K132 | R126-P128 WeakPolarHBondContact O-CD 3.35Å; P128-K132 WeakPolarHBondContact O-CB 3.22Å; P128-K132 PolarHBondContact O-N 2.93Å |
| 129 | Q | 85.7 | Confident | 78.6 | Confident | 101 Ų | 101 | 67.3 Ų | 67.3 | 47% | 0.472 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -75.4 | -46.8 | 178.9 | 178.8 | 61 | 21.2 | 0 | 0 | 110.2 | D127 V131 K132 E133 | D127-Q129 PolarHBondContact O-N 2.84Å; D127-Q129 WeakPolarHBondContact OD1-CB 3.43Å; D127-Q129 PolarHBondContact OD1-N 2.95Å; Q129-V131 VanDerWaalsContact C-N 3.33Å; Q129-V131 PolarHBondContact O-N 3.49Å; Q129-K132 WeakPolarHBondContact O-CB 3.28Å; Q129-K132 PolarHBondContact O-N 3.42Å; Q129-K132 VanDerWaalsContact O-N 3.15Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.36Å; Q129-E133 PolarHBondContact NE2-OE1 3.4Å; Q129-E133 WeakPolarHBondContact O-CG 3.21Å; Q129-E133 PolarHBondContact O-N 3.46Å |
| 130 | K | 85.8 | Confident | 80.2 | Confident | 116 Ų | 116 | 65 Ų | 65 | 50% | 0.504 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.5 | -37.4 | 174.1 | -67.4 | -175.4 | -176 | 98.2 | 0 | 112.6 | P123 D127 E133 F134 | P123-K130 HydrophobicContact CB-CB 4.28Å; D127-K130 HydrophobicContact CB-CB 4.14Å; D127-K130 HydrophobicContact CB-CD 4.27Å; D127-K130 HydrophobicContact CB-CG 4.26Å; D127-K130 PolarHBondContact O-N 3.09Å; D127-K130 PolarHBondContact OD1-N 2.72Å; D127-K130 WeakPolarHBondContact OD2-CD 3.43Å; D127-K130 WeakPolarHBondContact OD2-CE 3.21Å; D127-K130 WeakPolarHBondContact OD2-CG 3.48Å; D127-K130 IonicContact OD2-NZ 2.64Å; D127-K130 PolarHBondContact OD2-NZ 2.87Å; K130-E133 PolarHBondContact O-N 3.33Å; K130-F134 WeakPolarHBondContact O-CB 3.3Å; K130-F134 PolarHBondContact O-N 3.08Å |
| 131 | V | 86.8 | Confident | 81.7 | Confident | 12 Ų | 12 | 70.6 Ų | 70.6 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.4 | -42 | 173.3 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | L73 P123 D127 Q129 F134 L135 | L73-V131 HydrophobicContact CD1-CB 4.08Å; L73-V131 HydrophobicContact CD1-CG1 3.52Å; P123-V131 HydrophobicContact CB-CG2 4.05Å; D127-V131 VanDerWaalsContact O-CG2 3.29Å; D127-V131 WeakPolarHBondContact O-CG2 3.37Å; D127-V131 PolarHBondContact O-N 3.27Å; Q129-V131 VanDerWaalsContact C-N 3.33Å; Q129-V131 PolarHBondContact O-N 3.49Å; V131-F134 PolarHBondContact O-N 3.14Å; V131-L135 HydrophobicContact CG1-CD1 3.99Å; V131-L135 VanDerWaalsContact O-CD1 3.26Å; V131-L135 WeakPolarHBondContact O-CD1 3.37Å; V131-L135 PolarHBondContact O-N 3.02Å |
| 132 | K | 88.3 | Confident | 83.2 | Confident | 71 Ų | 71 | 68.6 Ų | 68.6 | 31% | 0.309 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.9 | -50.5 | 174.1 | -176.3 | -174.9 | 174.5 | -174.1 | 0 | 111.8 | L73 P128 Q129 F134 L135 Q136 | L73-K132 HydrophobicContact CD2-CB 4.48Å; P128-K132 WeakPolarHBondContact O-CB 3.22Å; P128-K132 PolarHBondContact O-N 2.93Å; Q129-K132 WeakPolarHBondContact O-CB 3.28Å; Q129-K132 PolarHBondContact O-N 3.42Å; Q129-K132 VanDerWaalsContact O-N 3.15Å; K132-F134 VanDerWaalsContact C-N 3.31Å; K132-F134 PolarHBondContact O-N 3.08Å; K132-L135 WeakPolarHBondContact O-CB 3.24Å; K132-L135 PolarHBondContact O-N 3.2Å; K132-L135 VanDerWaalsContact O-N 3.08Å; K132-Q136 WeakPolarHBondContact O-CG 3.49Å; K132-Q136 PolarHBondContact O-N 3.12Å |
| 133 | E | 89.3 | Confident | 84.3 | Confident | 92 Ų | 92 | 71.5 Ų | 71.5 | 43% | 0.43 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.5 | -41.7 | 179.9 | -73 | 166.3 | -168.4 | 0 | 0 | 111.9 | Q129 K130 Q136 E137 | Q129-E133 WeakPolarHBondContact CG-OE1 3.36Å; Q129-E133 PolarHBondContact NE2-OE1 3.4Å; Q129-E133 WeakPolarHBondContact O-CG 3.21Å; Q129-E133 PolarHBondContact O-N 3.46Å; K130-E133 PolarHBondContact O-N 3.33Å; E133-Q136 WeakPolarHBondContact O-CB 3.48Å; E133-Q136 PolarHBondContact O-N 3.49Å; E133-E137 VanDerWaalsContact O-CG 3.24Å; E133-E137 WeakPolarHBondContact O-CG 3.47Å; E133-E137 PolarHBondContact O-N 3.26Å |
| 134 | F | 89.6 | Confident | 85.5 | Confident | 24 Ų | 24 | 71 Ų | 71 | 11% | 0.105 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 173.1 | 173.7 | -108.1 | 0 | 0 | 0 | 113.2 | L112 F115 P123 K130 V131 K132 Q136 E137 K138 W144 | L112-F134 HydrophobicContact CD2-CZ 4.27Å; F115-F134 HydrophobicContact CD2-CE2 4.45Å; F115-F134 AromaticContact CE2-CE2 3.78Å; F115-F134 HydrophobicContact CE2-CE2 3.78Å; F115-F134 HydrophobicContact CE2-CZ 4.1Å; P123-F134 HydrophobicContact CG-CB 3.4Å; P123-F134 VanDerWaalsContact CG-CB 3.4Å; P123-F134 HydrophobicContact CG-CD1 3.96Å; P123-F134 HydrophobicContact CG-CD2 4.23Å; P123-F134 HydrophobicContact CG-CG 3.6Å; K130-F134 WeakPolarHBondContact O-CB 3.3Å; K130-F134 PolarHBondContact O-N 3.08Å; V131-F134 PolarHBondContact O-N 3.14Å; K132-F134 VanDerWaalsContact C-N 3.31Å; K132-F134 PolarHBondContact O-N 3.08Å; F134-Q136 VanDerWaalsContact C-N 3.3Å; F134-Q136 PolarHBondContact O-N 3.09Å; F134-E137 WeakPolarHBondContact O-CB 3.42Å; F134-E137 PolarHBondContact O-N 3.17Å; F134-K138 HydrophobicContact CE1-CD 4.24Å; F134-K138 HydrophobicContact CZ-CD 4.39Å; F134-K138 VanDerWaalsContact O-CB 3.27Å; F134-K138 WeakPolarHBondContact O-CB 3.18Å; F134-K138 PolarHBondContact O-N 3.33Å; F134-W144 AromaticContact CD2-CH2 3.82Å; F134-W144 HydrophobicContact CD2-CH2 3.82Å; F134-W144 AromaticContact CD2-CZ3 3.88Å; F134-W144 HydrophobicContact CD2-CZ3 3.88Å; F134-W144 HydrophobicContact CE2-CE3 4.33Å; F134-W144 AromaticContact CE2-CH2 3.61Å; F134-W144 HydrophobicContact CE2-CH2 3.61Å; F134-W144 AromaticContact CE2-CZ3 3.49Å; F134-W144 HydrophobicContact CE2-CZ3 3.49Å; F134-W144 VanDerWaalsContact CE2-CZ3 3.49Å; F134-W144 HydrophobicContact CZ-CZ3 4.38Å |
| 135 | L | 91.4 | Very high | 86.8 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.6 | -37.4 | 173.1 | -96.8 | 66 | 0 | 0 | 0 | 111.5 | E49 L73 L74 L77 V131 K132 K138 Y139 | E49-L135 HydrophobicContact CB-CD1 4.19Å; E49-L135 HydrophobicContact CG-CD1 4.13Å; E49-L135 HydrophobicContact CG-CD2 4.41Å; E49-L135 HydrophobicContact CG-CG 4.49Å; E49-L135 WeakPolarHBondContact OE2-CD1 3.21Å; L73-L135 HydrophobicContact CB-CD2 3.96Å; L74-L135 HydrophobicContact CD2-CD2 3.72Å; L74-L135 HydrophobicContact CD2-CG 4.41Å; L74-L135 HydrophobicContact CG-CD2 3.83Å; L77-L135 HydrophobicContact CD1-CB 4.24Å; L77-L135 HydrophobicContact CD1-CD2 4.47Å; L77-L135 HydrophobicContact CD2-CB 3.99Å; V131-L135 HydrophobicContact CG1-CD1 3.99Å; V131-L135 VanDerWaalsContact O-CD1 3.26Å; V131-L135 WeakPolarHBondContact O-CD1 3.37Å; V131-L135 PolarHBondContact O-N 3.02Å; K132-L135 WeakPolarHBondContact O-CB 3.24Å; K132-L135 PolarHBondContact O-N 3.2Å; K132-L135 VanDerWaalsContact O-N 3.08Å; L135-K138 PolarHBondContact O-N 3.39Å; L135-Y139 HydrophobicContact CB-CD2 4.35Å; L135-Y139 HydrophobicContact CG-CD2 4.21Å; L135-Y139 HydrophobicContact CG-CE2 4.16Å; L135-Y139 WeakPolarHBondContact O-CB 3.34Å; L135-Y139 WeakPolarHBondContact O-CD2 3.46Å; L135-Y139 PolarHBondContact O-N 3.09Å |
| 136 | Q | 92.1 | Very high | 88.1 | Confident | 52 Ų | 52 | 68.4 Ų | 68.4 | 24% | 0.243 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -65.8 | -42.4 | 173.5 | -64 | -172.3 | -75.4 | 0 | 0 | 111.6 | L77 K132 E133 F134 K138 E140 K141 | L77-Q136 HydrophobicContact CD2-CG 3.62Å; K132-Q136 WeakPolarHBondContact O-CG 3.49Å; K132-Q136 PolarHBondContact O-N 3.12Å; E133-Q136 WeakPolarHBondContact O-CB 3.48Å; E133-Q136 PolarHBondContact O-N 3.49Å; F134-Q136 VanDerWaalsContact C-N 3.3Å; F134-Q136 PolarHBondContact O-N 3.09Å; Q136-K138 VanDerWaalsContact C-N 3.32Å; Q136-K138 PolarHBondContact O-N 3.15Å; Q136-E140 HydrophobicContact CB-CG 4.38Å; Q136-E140 WeakPolarHBondContact CB-OE2 3.48Å; Q136-E140 HydrophobicContact CG-CG 4.48Å; Q136-E140 WeakPolarHBondContact CG-OE2 3.4Å; Q136-E140 PolarHBondContact NE2-OE1 2.99Å; Q136-E140 PolarHBondContact NE2-OE2 3.07Å; Q136-E140 WeakPolarHBondContact O-CA 3.43Å; Q136-E140 VanDerWaalsContact O-CB 3.3Å; Q136-E140 WeakPolarHBondContact O-CB 3.45Å; Q136-E140 PolarHBondContact O-N 3.38Å; Q136-K141 PolarHBondContact O-N 2.87Å |
| 137 | E | 91.3 | Very high | 89 | Confident | 40 Ų | 40 | 60.1 Ų | 60.1 | 19% | 0.187 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -59.4 | -42.5 | 173.1 | -62.1 | -110.5 | 125.2 | 0 | 0 | 112.3 | E133 F134 K141 K142 R143 W144 | E133-E137 VanDerWaalsContact O-CG 3.24Å; E133-E137 WeakPolarHBondContact O-CG 3.47Å; E133-E137 PolarHBondContact O-N 3.26Å; F134-E137 WeakPolarHBondContact O-CB 3.42Å; F134-E137 PolarHBondContact O-N 3.17Å; E137-K141 HydrophobicContact CG-CD 4.33Å; E137-K141 CarbonylContact O-C 3.53Å; E137-K141 WeakPolarHBondContact OE1-CD 3.23Å; E137-K141 WeakPolarHBondContact OE1-CE 3.47Å; E137-K141 IonicContact OE1-NZ 2.73Å; E137-K141 PolarHBondContact OE1-NZ 3.23Å; E137-K142 PolarHBondContact O-N 3.01Å; E137-K142 VanDerWaalsContact O-N 3.15Å; E137-R143 VanDerWaalsContact O-CB 3.32Å; E137-R143 WeakPolarHBondContact O-CB 3.47Å; E137-R143 PolarHBondContact O-N 2.99Å; E137-R143 WeakPolarHBondContact OE2-CD 3.41Å; E137-R143 IonicContact OE2-CZ 3.6Å; E137-R143 IonicContact OE2-NE 3.77Å; E137-R143 IonicContact OE2-NH1 2.68Å; E137-R143 PolarHBondContact OE2-NH1 3.18Å; E137-W144 HydrophobicContact CB-CH2 3.94Å; E137-W144 HydrophobicContact CB-CZ3 3.8Å |
| 138 | K | 91.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -71.6 | -44.4 | -177.4 | -177 | 178.6 | 174.6 | -174.5 | 0 | 113 | F48 E49 W111 L112 F134 L135 Q136 K142 W144 | F48-K138 VanDerWaalsContact CE1-NZ 3.31Å; E49-K138 IonicContact OE1-NZ 3.66Å; E49-K138 PolarHBondContact OE1-NZ 3Å; E49-K138 IonicContact OE2-NZ 2.67Å; E49-K138 PolarHBondContact OE2-NZ 3.17Å; W111-K138 HydrophobicContact CB-CG 4.32Å; L112-K138 HydrophobicContact CD2-CD 4.3Å; F134-K138 HydrophobicContact CE1-CD 4.24Å; F134-K138 HydrophobicContact CZ-CD 4.39Å; F134-K138 VanDerWaalsContact O-CB 3.27Å; F134-K138 WeakPolarHBondContact O-CB 3.18Å; F134-K138 PolarHBondContact O-N 3.33Å; L135-K138 PolarHBondContact O-N 3.39Å; Q136-K138 VanDerWaalsContact C-N 3.32Å; Q136-K138 PolarHBondContact O-N 3.15Å; K138-K142 WeakPolarHBondContact O-CA 3.28Å; K138-W144 HydrophobicContact CB-CE3 4.35Å; K138-W144 HydrophobicContact CB-CZ3 4.25Å |
| 139 | Y | 92.3 | Very high | 89.4 | Confident | 11 Ų | 11 | 62.5 Ų | 62.5 | 4% | 0.043 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -107 | -40.8 | -169.7 | -66.8 | -65.3 | 0 | 0 | 0 | 114.5 | F48 E49 V62 L74 L77 H81 W111 L135 K142 | F48-Y139 WeakPolarHBondContact CD1-OH 3.33Å; F48-Y139 WeakPolarHBondContact CE1-OH 3.25Å; E49-Y139 PolarHBondContact OE1-OH 3.02Å; V62-Y139 HydrophobicContact CG2-CD1 4.28Å; V62-Y139 HydrophobicContact CG2-CE1 3.63Å; L74-Y139 HydrophobicContact CD2-CD2 4.07Å; L74-Y139 HydrophobicContact CD2-CE2 3.64Å; L77-Y139 HydrophobicContact CD1-CD2 3.88Å; L77-Y139 HydrophobicContact CD1-CG 4.29Å; H81-Y139 AromaticContact CE1-CD1 3.5Å; H81-Y139 VanDerWaalsContact CE1-CD1 3.5Å; H81-Y139 WeakPolarHBondContact CE1-CD1 3.49Å; H81-Y139 AromaticContact CE1-CE1 3.8Å; H81-Y139 AromaticContact CE1-CG 3.64Å; H81-Y139 AromaticContact NE2-CG 3.85Å; W111-Y139 AromaticContact CD2-CD1 3.78Å; W111-Y139 HydrophobicContact CD2-CD1 3.78Å; W111-Y139 AromaticContact CD2-CE1 3.54Å; W111-Y139 HydrophobicContact CD2-CE1 3.54Å; W111-Y139 AromaticContact CE2-CE1 3.8Å; W111-Y139 AromaticContact CE3-CD1 3.47Å; W111-Y139 HydrophobicContact CE3-CD1 3.47Å; W111-Y139 VanDerWaalsContact CE3-CD1 3.47Å; W111-Y139 AromaticContact CE3-CE1 3.74Å; W111-Y139 HydrophobicContact CE3-CE1 3.74Å; W111-Y139 AromaticContact CG-CE1 3.91Å; W111-Y139 HydrophobicContact CG-CE1 3.91Å; W111-Y139 AromaticContact CH2-CD1 3.85Å; W111-Y139 HydrophobicContact CH2-CD1 3.85Å; W111-Y139 HydrophobicContact CH2-CE1 4.4Å; W111-Y139 HydrophobicContact CZ2-CD1 4.12Å; W111-Y139 HydrophobicContact CZ2-CE1 4.23Å; W111-Y139 AromaticContact CZ3-CD1 3.52Å; W111-Y139 HydrophobicContact CZ3-CD1 3.52Å; W111-Y139 HydrophobicContact CZ3-CE1 4.18Å; W111-Y139 HydrophobicContact CZ3-CG 4.47Å; L135-Y139 HydrophobicContact CB-CD2 4.35Å; L135-Y139 HydrophobicContact CG-CD2 4.21Å; L135-Y139 HydrophobicContact CG-CE2 4.16Å; L135-Y139 WeakPolarHBondContact O-CB 3.34Å; L135-Y139 WeakPolarHBondContact O-CD2 3.46Å; L135-Y139 PolarHBondContact O-N 3.09Å; Y139-K142 VanDerWaalsContact O-CG 3.31Å; Y139-K142 WeakPolarHBondContact O-CG 3.4Å |
| 140 | E | 91.9 | Very high | 88.9 | Confident | 63 Ų | 63 | 64.4 Ų | 64.4 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | I | π-helix | trans | -83.8 | -55.1 | -179.5 | -54.9 | 177.9 | 174.6 | 0 | 0 | 110.4 | L77 N78 Q136 K142 | L77-E140 WeakPolarHBondContact CA-OE1 3.27Å; N78-E140 PolarHBondContact N-OE1 3.11Å; Q136-E140 HydrophobicContact CB-CG 4.38Å; Q136-E140 WeakPolarHBondContact CB-OE2 3.48Å; Q136-E140 HydrophobicContact CG-CG 4.48Å; Q136-E140 WeakPolarHBondContact CG-OE2 3.4Å; Q136-E140 PolarHBondContact NE2-OE1 2.99Å; Q136-E140 PolarHBondContact NE2-OE2 3.07Å; Q136-E140 WeakPolarHBondContact O-CA 3.43Å; Q136-E140 VanDerWaalsContact O-CB 3.3Å; Q136-E140 WeakPolarHBondContact O-CB 3.45Å; Q136-E140 PolarHBondContact O-N 3.38Å; E140-K142 VanDerWaalsContact C-N 3.28Å; E140-K142 PolarHBondContact O-N 2.67Å |
| 141 | K | 90.4 | Very high | 88.3 | Confident | 136 Ų | 136 | 61 Ų | 61 | 59% | 0.591 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -76.6 | -14.3 | 176.4 | -47.8 | -176.1 | -167 | 177.1 | 0 | 113.2 | Q136 E137 R143 | Q136-K141 PolarHBondContact O-N 2.87Å; E137-K141 HydrophobicContact CG-CD 4.33Å; E137-K141 CarbonylContact O-C 3.53Å; E137-K141 WeakPolarHBondContact OE1-CD 3.23Å; E137-K141 WeakPolarHBondContact OE1-CE 3.47Å; E137-K141 IonicContact OE1-NZ 2.73Å; E137-K141 PolarHBondContact OE1-NZ 3.23Å; K141-R143 PolarHBondContact O-N 3.08Å; K141-R143 VanDerWaalsContact O-N 3.16Å |
| 142 | K | 90.7 | Very high | 86.9 | Confident | 113 Ų | 113 | 69.1 Ų | 69.1 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | trans | 53.6 | 31.9 | 178.8 | -64 | -175 | -179.2 | 172.4 | 0 | 114.2 | W111 E137 K138 Y139 E140 W144 Y145 | W111-K142 HydrophobicContact CZ3-CG 4.31Å; E137-K142 PolarHBondContact O-N 3.01Å; E137-K142 VanDerWaalsContact O-N 3.15Å; K138-K142 WeakPolarHBondContact O-CA 3.28Å; Y139-K142 VanDerWaalsContact O-CG 3.31Å; Y139-K142 WeakPolarHBondContact O-CG 3.4Å; E140-K142 VanDerWaalsContact C-N 3.28Å; E140-K142 PolarHBondContact O-N 2.67Å; K142-W144 PolarHBondContact O-N 3.32Å; K142-Y145 HydrophobicContact CB-CG 4.47Å; K142-Y145 WeakPolarHBondContact O-CB 3.47Å; K142-Y145 PolarHBondContact O-N 3.49Å | ||
| 143 | R | 87.8 | Confident | 84.6 | Confident | 151 Ų | 151 | 68.2 Ų | 68.2 | 57% | 0.57 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -28.1 | -166.5 | -176.1 | 172.4 | 177.7 | 169.2 | 3 | 115.1 | E137 K141 | E137-R143 VanDerWaalsContact O-CB 3.32Å; E137-R143 WeakPolarHBondContact O-CB 3.47Å; E137-R143 PolarHBondContact O-N 2.99Å; E137-R143 WeakPolarHBondContact OE2-CD 3.41Å; E137-R143 IonicContact OE2-CZ 3.6Å; E137-R143 IonicContact OE2-NE 3.77Å; E137-R143 IonicContact OE2-NH1 2.68Å; E137-R143 PolarHBondContact OE2-NH1 3.18Å; K141-R143 PolarHBondContact O-N 3.08Å; K141-R143 VanDerWaalsContact O-N 3.16Å |
| 144 | W | 90.6 | Very high | 82.4 | Confident | 16 Ų | 16 | 69.8 Ų | 69.8 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | 18.8 | 179.6 | -49.5 | -81.2 | 0 | 0 | 0 | 113.3 | W111 G113 L114 F115 F134 E137 K138 K142 | W111-W144 CarbonylContact C-O 3.47Å; G113-W144 PolarHBondContact N-O 3.37Å; L114-W144 HydrophobicContact CB-CB 4.44Å; F115-W144 HydrophobicContact CB-CB 4.11Å; F115-W144 HydrophobicContact CB-CG 3.94Å; F115-W144 AromaticContact CD2-CD2 3.79Å; F115-W144 HydrophobicContact CD2-CD2 3.79Å; F115-W144 AromaticContact CD2-CE2 3.69Å; F115-W144 HydrophobicContact CD2-CE3 4.26Å; F115-W144 HydrophobicContact CD2-CG 4.08Å; F115-W144 HydrophobicContact CD2-CZ2 4.1Å; F115-W144 AromaticContact CD2-NE1 3.88Å; F115-W144 HydrophobicContact CE2-CZ2 4.27Å; F134-W144 AromaticContact CD2-CH2 3.82Å; F134-W144 HydrophobicContact CD2-CH2 3.82Å; F134-W144 AromaticContact CD2-CZ3 3.88Å; F134-W144 HydrophobicContact CD2-CZ3 3.88Å; F134-W144 HydrophobicContact CE2-CE3 4.33Å; F134-W144 AromaticContact CE2-CH2 3.61Å; F134-W144 HydrophobicContact CE2-CH2 3.61Å; F134-W144 AromaticContact CE2-CZ3 3.49Å; F134-W144 HydrophobicContact CE2-CZ3 3.49Å; F134-W144 VanDerWaalsContact CE2-CZ3 3.49Å; F134-W144 HydrophobicContact CZ-CZ3 4.38Å; E137-W144 HydrophobicContact CB-CH2 3.94Å; E137-W144 HydrophobicContact CB-CZ3 3.8Å; K138-W144 HydrophobicContact CB-CE3 4.35Å; K138-W144 HydrophobicContact CB-CZ3 4.25Å; K142-W144 PolarHBondContact O-N 3.32Å |
| 145 | Y | 92.2 | Very high | 80.3 | Confident | 73 Ų | 73 | 73 Ų | 73 | 29% | 0.286 | 38% | 0.381 | S | S | . | . | trans | -77.1 | 127.8 | -177.2 | 178.4 | -98.2 | 0 | 0 | 0 | 112.3 | I110 W111 K142 P147 | I110-Y145 HydrophobicContact CG2-CD2 3.83Å; I110-Y145 HydrophobicContact CG2-CE2 3.46Å; I110-Y145 VanDerWaalsContact CG2-CE2 3.46Å; I110-Y145 CarbonylContact O-C 3.54Å; I110-Y145 WeakPolarHBondContact O-CA 3.36Å; W111-Y145 AromaticContact CD2-CD2 3.81Å; W111-Y145 HydrophobicContact CD2-CD2 3.81Å; W111-Y145 HydrophobicContact CD2-CE2 4.3Å; W111-Y145 AromaticContact CE3-CD2 3.51Å; W111-Y145 HydrophobicContact CE3-CD2 3.51Å; W111-Y145 HydrophobicContact CE3-CE2 4.28Å; W111-Y145 HydrophobicContact CE3-CG 4.36Å; W111-Y145 AromaticContact CH2-CD2 3.84Å; W111-Y145 HydrophobicContact CH2-CD2 3.84Å; W111-Y145 AromaticContact CH2-CE2 3.88Å; W111-Y145 HydrophobicContact CH2-CE2 3.88Å; W111-Y145 HydrophobicContact CZ2-CD2 4.11Å; W111-Y145 AromaticContact CZ2-CE2 3.9Å; W111-Y145 HydrophobicContact CZ2-CE2 3.9Å; W111-Y145 AromaticContact CZ3-CD2 3.51Å; W111-Y145 HydrophobicContact CZ3-CD2 3.51Å; W111-Y145 HydrophobicContact CZ3-CE2 4.07Å; W111-Y145 HydrophobicContact CZ3-CG 4.28Å; K142-Y145 HydrophobicContact CB-CG 4.47Å; K142-Y145 WeakPolarHBondContact O-CB 3.47Å; K142-Y145 PolarHBondContact O-N 3.49Å; Y145-P147 HydrophobicContact CE1-CG 4.18Å | ||
| 146 | V | 90.6 | Very high | 78.1 | Confident | 20 Ų | 20 | 84 Ų | 84 | 12% | 0.121 | 42% | 0.423 | C | S | . | . | trans | -115.3 | 127.2 | 171.2 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | I110 L114 Q150 V151 | I110-V146 PolarHBondContact O-N 2.91Å; L114-V146 HydrophobicContact CD1-CG2 4.37Å; L114-V146 HydrophobicContact CD2-CG2 4.29Å; L114-V146 HydrophobicContact CG-CG2 3.81Å; V146-Q150 HydrophobicContact CG1-CB 3.83Å; V146-V151 HydrophobicContact CB-CG2 4.04Å; V146-V151 HydrophobicContact CG1-CG2 3.79Å | ||
| 147 | P | 88.7 | Confident | 75.3 | Confident | 41 Ų | 41 | 87.3 Ų | 87.3 | 27% | 0.266 | 45% | 0.447 | S | S | . | . | trans | -54.4 | 141 | 176.7 | -26.6 | 34.7 | 0 | 0 | 0 | 112.4 | Y145 D149 Q150 V151 | Y145-P147 HydrophobicContact CE1-CG 4.18Å; P147-D149 PolarHBondContact O-N 3.39Å; P147-Q150 HydrophobicContact CB-CG 4.45Å; P147-Q150 PolarHBondContact O-N 2.97Å; P147-V151 PolarHBondContact O-N 2.68Å | ||
| 148 | P | 84.8 | Confident | 73 | Confident | 42 Ų | 42 | 95.9 Ų | 95.9 | 27% | 0.273 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -25.9 | -175.4 | 24.6 | -35 | 0 | 0 | 0 | 113.5 | I110 V151 K152 | I110-P148 HydrophobicContact CD1-CB 3.94Å; I110-P148 HydrophobicContact CG1-CB 4.36Å; P148-V151 PolarHBondContact O-N 3.44Å; P148-K152 WeakPolarHBondContact O-CB 3.4Å; P148-K152 PolarHBondContact O-N 3.38Å |
| 149 | D | 85.8 | Confident | 70.5 | Confident | 135 Ų | 135 | 99.2 Ų | 99.2 | 72% | 0.722 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -37.4 | 178.5 | -42.5 | -60.4 | 0 | 0 | 0 | 111.6 | P147 K152 | P147-D149 PolarHBondContact O-N 3.39Å; D149-K152 PolarHBondContact O-N 2.97Å |
| 150 | Q | 76.1 | Confident | 67.8 | Low | 141 Ų | 141 | 104.9 Ų | 104.9 | 66% | 0.659 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -74.5 | -29.4 | 175.2 | -62.2 | -179.8 | 9.4 | 0 | 0 | 111.9 | V146 P147 K152 | V146-Q150 HydrophobicContact CG1-CB 3.83Å; P147-Q150 HydrophobicContact CB-CG 4.45Å; P147-Q150 PolarHBondContact O-N 2.97Å; Q150-K152 PolarHBondContact O-N 3.4Å |
| 151 | V | 71.9 | Confident | 65.6 | Low | 44 Ų | 44 | 106.5 Ų | 106.5 | 27% | 0.267 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -68.3 | -15.7 | 173.8 | 172.8 | 0 | 0 | 0 | 0 | 112.4 | K109 I110 V146 P147 P148 | K109-V151 HydrophobicContact CB-CG1 3.54Å; K109-V151 HydrophobicContact CB-CG2 4.41Å; K109-V151 HydrophobicContact CD-CG1 4.48Å; K109-V151 WeakPolarHBondContact O-CG2 3.26Å; I110-V151 HydrophobicContact CG1-CB 4.49Å; I110-V151 HydrophobicContact CG1-CG1 4.46Å; I110-V151 HydrophobicContact CG1-CG2 4.04Å; V146-V151 HydrophobicContact CB-CG2 4.04Å; V146-V151 HydrophobicContact CG1-CG2 3.79Å; P147-V151 PolarHBondContact O-N 2.68Å; P148-V151 PolarHBondContact O-N 3.44Å |
| 152 | K | 58.6 | Low | 62.9 | Low | 184 Ų | 184 | 105.9 Ų | 105.9 | 80% | 0.8 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -114.2 | 40.1 | -166.4 | -153.8 | 160.6 | -176.7 | 174 | 0 | 115.2 | P148 D149 Q150 | P148-K152 WeakPolarHBondContact O-CB 3.4Å; P148-K152 PolarHBondContact O-N 3.38Å; D149-K152 PolarHBondContact O-N 2.97Å; Q150-K152 PolarHBondContact O-N 3.4Å |
| 153 | G | 39.4 | Very low | 60.6 | Low | 51 Ų | 51 | 106.8 Ų | 106.8 | 53% | 0.526 | 61% | 0.612 | S | S | . | * | trans | -156.6 | 158.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 154 | P | 43.5 | Very low | 58.2 | Low | 126 Ų | 126 | 105.5 Ų | 105.5 | 82% | 0.818 | 62% | 0.624 | S | S | * | * | S | Bend | cis | -111.8 | 85.5 | -6.7 | 35.7 | -21.4 | 0 | 0 | 0 | 111.1 | ||
| 155 | A | 44.6 | Very low | 55.5 | Low | 92 Ų | 92 | 111.6 Ų | 111.6 | 76% | 0.76 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -137.9 | 23 | -174 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 156 | Y | 44.9 | Very low | 52.9 | Low | 231 Ų | 231 | 116.6 Ų | 116.6 | 91% | 0.906 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -151.9 | 34.1 | 167.4 | -136.8 | -90 | 0 | 0 | 0 | 114.6 | ||
| 157 | T | 35 | Very low | 50.2 | Low | 121 Ų | 121 | 119.4 Ų | 119.4 | 74% | 0.742 | 72% | 0.721 | S | S | * | * | trans | -111.9 | 107.3 | 172.8 | 34.2 | 0 | 0 | 0 | 0 | 110.2 | G159 | T157-G159 VanDerWaalsContact C-N 3.35Å; T157-G159 PolarHBondContact O-N 3.09Å | ||
| 158 | K | 42.9 | Very low | 47.6 | Very low | 221 Ų | 221 | 122.3 Ų | 122.3 | 96% | 0.961 | 74% | 0.742 | S | S | * | * | trans | -77.8 | 82.9 | 179.9 | -170.9 | -173.4 | 179.6 | -175 | 0 | 110.8 | ||||
| 159 | G | 38.3 | Very low | 45.5 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 79.8 | 97 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | T157 | T157-G159 VanDerWaalsContact C-N 3.35Å; T157-G159 PolarHBondContact O-N 3.09Å |
| 160 | S | 35.5 | Very low | 43.4 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | -156.8 | 156.5 | 127.2 | -151.3 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 161 | A | 44.4 | Very low | 41.4 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -106.8 | 132.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 162 | S | 35.3 | Very low | 39.6 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -158.6 | 132 | 155.3 | 50.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 163 | T | 40.9 | Very low | 38.6 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -80.1 | 161 | 175.7 | 23.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 164 | P | 38.6 | Very low | 39.1 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | trans | -74.3 | 145 | -176 | 30.8 | -35.7 | 0 | 0 | 0 | 112.6 | ||||
| 165 | V | 32.5 | Very low | 38.6 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -111.8 | 112.1 | 166.4 | 175.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 166 | Q | 39.2 | Very low | 38.4 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 84% | 0.836 | 83% | 0.832 | S | S | * | * | trans | -95.9 | 114.3 | 174.9 | -177.2 | 172.3 | -25 | 0 | 0 | 108.9 | ||||
| 167 | G | 32.2 | Very low | 38.1 | Very low | 79 Ų | 79 | 139.2 Ų | 139.2 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | -86.6 | 109.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 168 | S | 35.3 | Very low | 38.2 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 71% | 0.706 | 83% | 0.825 | S | S | * | * | trans | -149.1 | 109.9 | 166.2 | 56.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 169 | I | 39.6 | Very low | 37.8 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | trans | -79.2 | 134.7 | 169.3 | -71.7 | -68.6 | 0 | 0 | 0 | 107 | ||||
| 170 | P | 41.9 | Very low | 37.4 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | -137.3 | 147.1 | 75.6 | 33.7 | -15.3 | 0 | 0 | 0 | 118.2 | |||||
| 171 | E | 34.7 | Very low | 37.3 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | 31.9 | 118.3 | 135.4 | -151.6 | 167.9 | 128.9 | 0 | 0 | 120.9 | ||||
| 172 | G | 33.3 | Very low | 37.2 | Very low | 72 Ų | 72 | 140.1 Ų | 140.1 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | 165.9 | 112.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 173 | K | 38.9 | Very low | 37.3 | Very low | 206 Ų | 206 | 138.3 Ų | 138.3 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | trans | -142 | 149.9 | 174.2 | -67.6 | 177.6 | -177.7 | 173.1 | 0 | 110 | ||||
| 174 | P | 49.4 | Very low | 37.2 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | cis | -129.6 | -174.9 | -26.1 | 39.4 | -23.5 | 0 | 0 | 0 | 112.6 | ||||
| 175 | L | 32.3 | Very low | 36.7 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -41.3 | 142.5 | 169.8 | -94 | 147.9 | 0 | 0 | 0 | 115.1 | ||||
| 176 | R | 42 | Very low | 36.7 | Very low | 244 Ų | 244 | 137.9 Ų | 137.9 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -110.9 | 119.8 | 148.3 | -79.6 | -162.9 | 175.1 | -163.8 | -0 | 110.5 | ||||
| 177 | T | 36.7 | Very low | 36.2 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | trans | -63.8 | 148.5 | 163.4 | -41.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 178 | L | 38.6 | Very low | 36 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | 170.2 | 127.3 | 124.1 | -88.6 | 168.3 | 0 | 0 | 0 | 112.9 | |||||
| 179 | L | 33.6 | Very low | 35.8 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | 30.6 | 132.9 | 148.1 | -88.1 | 53.2 | 0 | 0 | 0 | 121.5 | ||||
| 180 | G | 30.3 | Very low | 35.4 | Very low | 82 Ų | 82 | 132.5 Ų | 132.5 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | 166.2 | 48.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 181 | D | 33.3 | Very low | 35 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -83.8 | 146.1 | 146.5 | -120 | -84.8 | 0 | 0 | 0 | 106.6 | A183 | D181-A183 PolarHBondContact OD1-N 2.96Š| ||
| 182 | P | 42.5 | Very low | 34.9 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | -135.3 | 157 | 55.6 | 39.2 | -24.1 | 0 | 0 | 0 | 116.5 | |||||
| 183 | A | 38 | Very low | 34.9 | Very low | 85 Ų | 85 | 130.7 Ų | 130.7 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | trans | -71.6 | 153.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D181 | D181-A183 PolarHBondContact OD1-N 2.96Š| ||
| 184 | P | 38.1 | Very low | 34.5 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -116 | 156.9 | 144.2 | 35.4 | -29.3 | 0 | 0 | 0 | 112.4 | ||||
| 185 | S | 27.7 | Very low | 33.8 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | -109.5 | -168.2 | -174 | -172.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 186 | L | 32 | Very low | 34.3 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | 92.4 | 95.8 | 167.9 | -52.3 | 178 | 0 | 0 | 0 | 114.9 | ||||
| 187 | S | 28.6 | Very low | 33.7 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | 92.9 | 149.6 | 78.2 | 69.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 188 | V | 29 | Very low | 33.4 | Very low | 128 Ų | 128 | 117.4 Ų | 117.4 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | -161 | 137.5 | 58.5 | 165.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 189 | A | 31.9 | Very low | 33.2 | Very low | 96 Ų | 96 | 116.5 Ų | 116.5 | 79% | 0.793 | 75% | 0.749 | S | S | * | * | trans | 56.9 | 160.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 190 | A | 30.5 | Very low | 33 | Very low | 84 Ų | 84 | 112.7 Ų | 112.7 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | cis | -146.4 | 154.1 | 4.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 191 | S | 34 | Very low | 33.2 | Very low | 110 Ų | 110 | 116.6 Ų | 116.6 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | trans | 47.5 | 133.7 | 140.1 | -58.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 192 | T | 31.9 | Very low | 33 | Very low | 130 Ų | 130 | 113.8 Ų | 113.8 | 80% | 0.798 | 73% | 0.73 | S | S | * | * | cis | -176 | 164.9 | -5.1 | 5.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 193 | S | 33.6 | Very low | 32.3 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | cis | -156.8 | -150.3 | -1 | -160.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 194 | S | 31 | Very low | 31.8 | Very low | 94 Ų | 94 | 120.9 Ų | 120.9 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | trans | -46.3 | 143.6 | 170.1 | 49.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 195 | Q | 34.3 | Very low | 31.3 | Very low | 162 Ų | 162 | 119.8 Ų | 119.8 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | cis | 73.7 | 152 | 43.6 | -64.7 | -78.7 | -8.5 | 0 | 0 | 113.9 | ||||
| 196 | P | 42 | Very low | 31.5 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | cis | -137.5 | 161.8 | 11.5 | 32.3 | -9.5 | 0 | 0 | 0 | 119.8 | ||||
| 197 | V | 30.3 | Very low | 31.3 | Very low | 114 Ų | 114 | 120.6 Ų | 120.6 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | trans | 57.5 | 107.3 | 135.8 | 174.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 198 | S | 31 | Very low | 31.2 | Very low | 95 Ų | 95 | 128.2 Ų | 128.2 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | 79.6 | 123.1 | 94.3 | -52.2 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 199 | Q | 33.4 | Very low | 31.2 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 60% | 0.603 | 74% | 0.742 | S | S | * | * | 56.6 | 136.9 | 83.3 | -65.6 | -168.4 | -5.5 | 0 | 0 | 115.6 | S455 | Q199-S455 PolarHBondContact NE2-O 3.04Š| |||
| 200 | S | 30 | Very low | 31.1 | Very low | 85 Ų | 85 | 127.4 Ų | 127.4 | 59% | 0.594 | 74% | 0.737 | S | S | * | * | cis | -173 | 174.6 | -9.7 | 49 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 201 | H | 33.7 | Very low | 31.1 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | 74.9 | 108.5 | 161.5 | -63.1 | -70.3 | 0 | 0 | 0 | 124.3 | ||||
| 202 | A | 29 | Very low | 31.7 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 74% | 0.744 | 74% | 0.739 | S | S | * | * | 79.7 | 155.3 | 117.8 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 203 | R | 28.2 | Very low | 32.2 | Very low | 240 Ų | 240 | 130 Ų | 130 | 91% | 0.906 | 73% | 0.732 | S | S | * | * | trans | 74.2 | 154.3 | 175.2 | -62 | -172.9 | 171.8 | -170.8 | -1.4 | 117.4 | ||||
| 204 | T | 27.8 | Very low | 32.7 | Very low | 112 Ų | 112 | 131 Ų | 131 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | cis | -168.1 | 140.6 | -29.7 | -82.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 205 | S | 27.8 | Very low | 33 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | 65.1 | 159 | 167 | 72.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 206 | Q | 31.5 | Very low | 33.4 | Very low | 183 Ų | 183 | 132.9 Ų | 132.9 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | cis | -153 | 171.2 | 2.5 | -143.9 | 171.8 | 20.5 | 0 | 0 | 111.8 | ||||
| 207 | A | 27.5 | Very low | 33.3 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | trans | 65.4 | 116.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 208 | R | 27.1 | Very low | 33.6 | Very low | 261 Ų | 261 | 133.5 Ų | 133.5 | 99% | 0.985 | 75% | 0.753 | S | S | * | * | -150 | 162.5 | 123 | -140.3 | 174.6 | -168.8 | -154.9 | -0.1 | 111.7 | |||||
| 209 | S | 28.8 | Very low | 33.8 | Very low | 95 Ų | 95 | 139 Ų | 139 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | trans | -119 | 153.3 | -168.4 | -178.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 210 | T | 28.9 | Very low | 34.1 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | trans | 53.7 | 114.8 | 150 | 43.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 211 | Q | 31.7 | Very low | 34.5 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | 46.4 | 169.2 | 109.4 | -98 | -165.6 | -46.6 | 0 | 0 | 121.8 | |||||
| 212 | P | 46.6 | Very low | 35.1 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | cis | -134.9 | 175.8 | -2.6 | 39.4 | -21.9 | 0 | 0 | 0 | 116.8 | ||||
| 213 | P | 42.2 | Very low | 35.7 | Very low | 99 Ų | 99 | 143 Ų | 143 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | trans | -96 | 168.2 | 158.2 | 38.2 | -32.8 | 0 | 0 | 0 | 113.5 | ||||
| 214 | P | 44.9 | Very low | 36.4 | Very low | 129 Ų | 129 | 137 Ų | 137 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -87.4 | -178.5 | -171 | 35 | -37.3 | 0 | 0 | 0 | 116.9 | ||||
| 215 | H | 36.6 | Very low | 37.8 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -119.5 | 162.3 | -155.9 | -49.3 | -109.4 | 0 | 0 | 0 | 116.5 | ||||
| 216 | S | 43.1 | Very low | 39.2 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 176.9 | 151.6 | 130.1 | 38 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 217 | S | 39.1 | Very low | 40.2 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | cis | -164.8 | 121.8 | -19.6 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 218 | V | 36.1 | Very low | 41.3 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | 56.1 | 116.8 | 140.8 | -168.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 219 | K | 35.4 | Very low | 42.6 | Very low | 210 Ų | 210 | 135.1 Ų | 135.1 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | -167.2 | 165 | 116.6 | -103.3 | 170.9 | -171.5 | 177.3 | 0 | 112.2 | |||||
| 220 | K | 39.2 | Very low | 43.9 | Very low | 209 Ų | 209 | 134.1 Ų | 134.1 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -105.4 | 146 | -167.3 | -60.3 | 177.7 | 178.5 | 179.9 | 0 | 113.8 | ||||
| 221 | A | 38.7 | Very low | 44.6 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | -162.6 | 163.8 | 132.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 222 | S | 46.1 | Very low | 45.8 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -120.7 | -178.9 | 176.2 | 58.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 223 | T | 42.9 | Very low | 46.1 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | 62.4 | 142 | 175.8 | 40.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 224 | D | 43.2 | Very low | 46.5 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 61% | 0.61 | 79% | 0.794 | S | S | * | * | cis | -152.2 | 142 | -16.2 | -175 | 4.1 | 0 | 0 | 0 | 107.3 | L226 | D224-L226 PolarHBondContact OD1-N 3.45Š| ||
| 225 | L | 55.9 | Low | 46.6 | Very low | 156 Ų | 156 | 132.4 Ų | 132.4 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -104.2 | 8.2 | -176.5 | -68.5 | 178.7 | 0 | 0 | 0 | 113.6 | A227 | L225-A227 PolarHBondContact O-N 3.13Š|
| 226 | L | 57.8 | Low | 47.1 | Very low | 151 Ų | 151 | 128 Ų | 128 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -1.7 | 173.7 | -122.2 | 67.6 | 0 | 0 | 0 | 114.6 | D224 | D224-L226 PolarHBondContact OD1-N 3.45Š|
| 227 | A | 52.6 | Low | 47.2 | Very low | 94 Ų | 94 | 128.6 Ų | 128.6 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -14.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L225 | L225-A227 PolarHBondContact O-N 3.13Š|
| 228 | D | 50.8 | Low | 47.2 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -104.1 | 15.2 | -167.3 | -139.4 | -21 | 0 | 0 | 0 | 114 | ||
| 229 | I | 54.1 | Low | 47.3 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -126.7 | 50.1 | 178.5 | -42.8 | -177.3 | 0 | 0 | 0 | 109.7 | ||
| 230 | G | 56.1 | Low | 47.7 | Very low | 75 Ų | 75 | 126 Ų | 126 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -148.7 | 29.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 231 | G | 44.5 | Very low | 48.6 | Very low | 76 Ų | 76 | 122 Ų | 122 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | -99.7 | 124.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 232 | D | 55 | Low | 48.4 | Very low | 114 Ų | 114 | 121.8 Ų | 121.8 | 61% | 0.61 | 77% | 0.771 | S | S | * | * | trans | -71.4 | 125.9 | 175.9 | 175.6 | 6.3 | 0 | 0 | 0 | 111.9 | F234 | D232-F234 VanDerWaalsContact C-N 3.27Å; D232-F234 PolarHBondContact O-N 3.42Å; D232-F234 PolarHBondContact OD1-N 3.17Å | ||
| 233 | P | 54.7 | Low | 47.9 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -5.2 | 179.2 | 31 | -37.3 | 0 | 0 | 0 | 115.6 | ||
| 234 | F | 50.3 | Low | 47.6 | Very low | 184 Ų | 184 | 125.2 Ų | 125.2 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 0.8 | -179.2 | -90.2 | -85.7 | 0 | 0 | 0 | 115.7 | D232 A236 | D232-F234 VanDerWaalsContact C-N 3.27Å; D232-F234 PolarHBondContact O-N 3.42Å; D232-F234 PolarHBondContact OD1-N 3.17Å; F234-A236 PolarHBondContact O-N 3.45Å |
| 235 | A | 46 | Very low | 47.2 | Very low | 85 Ų | 85 | 124.6 Ų | 124.6 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | trans | -80.1 | 102.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 236 | A | 48.3 | Very low | 46.3 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -80.2 | 126.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F234 | F234-A236 PolarHBondContact O-N 3.45Š| ||
| 237 | P | 44.2 | Very low | 46 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | trans | -79.6 | 138.6 | 177.5 | 31.1 | -33.7 | 0 | 0 | 0 | 112.8 | ||||
| 238 | Q | 40.2 | Very low | 45.1 | Very low | 175 Ų | 175 | 125.9 Ų | 125.9 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -93.1 | 175.8 | 178.7 | -71 | -71.2 | -19.2 | 0 | 0 | 112.6 | ||||
| 239 | T | 37.6 | Very low | 44.3 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | trans | -94.4 | 146.7 | -159 | 52.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 240 | A | 44.4 | Very low | 43.4 | Very low | 91 Ų | 91 | 124.7 Ų | 124.7 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | 80.9 | 177.6 | 145.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 241 | P | 57.1 | Low | 42.2 | Very low | 124 Ų | 124 | 124.7 Ų | 124.7 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | -138.6 | 165.2 | -90.9 | 40.7 | -23.1 | 0 | 0 | 0 | 116.6 | |||||
| 242 | A | 35.3 | Very low | 41.7 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -155.1 | 141.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 243 | F | 34.9 | Very low | 40.7 | Very low | 217 Ų | 217 | 131.4 Ų | 131.4 | 95% | 0.952 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 145.8 | 171.5 | -93 | -107.6 | 0 | 0 | 0 | 110.9 | ||
| 244 | A | 37.4 | Very low | 40.4 | Very low | 93 Ų | 93 | 130.7 Ų | 130.7 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 144.1 | 165 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 245 | A | 33.8 | Very low | 39.6 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 152.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 246 | F | 37.7 | Very low | 39.1 | Very low | 199 Ų | 199 | 131.7 Ų | 131.7 | 87% | 0.873 | 81% | 0.814 | S | S | * | * | trans | -106.8 | 151.2 | 166.4 | -75.2 | -85.8 | 0 | 0 | 0 | 110.3 | ||||
| 247 | P | 51.7 | Low | 38.5 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -76.3 | 158.3 | -173.2 | 31.5 | -36.2 | 0 | 0 | 0 | 113.4 | ||||
| 248 | A | 33.6 | Very low | 37.9 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -98.7 | 153.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 249 | F | 33.9 | Very low | 37.6 | Very low | 217 Ų | 217 | 129 Ų | 129 | 95% | 0.952 | 81% | 0.81 | S | S | * | * | trans | -138.4 | 143.5 | 150.4 | -154.3 | -95 | 0 | 0 | 0 | 107.4 | ||||
| 250 | G | 34.7 | Very low | 37.8 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | -132.8 | 172 | -153.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 251 | G | 30.2 | Very low | 37.6 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | 105.3 | 137.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 252 | Q | 35.5 | Very low | 36.4 | Very low | 197 Ų | 197 | 133 Ų | 133 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | cis | -143.7 | 173.9 | -3.2 | -58.9 | -175.9 | 18.4 | 0 | 0 | 110.1 | ||||
| 253 | T | 33.4 | Very low | 36.7 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | trans | -107.5 | -175.8 | -172.7 | 54 | 0 | 0 | 0 | 0 | 112 | ||||
| 254 | P | 48 | Very low | 36.6 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | cis | -129.4 | -179.4 | -22.3 | 25.3 | -3.4 | 0 | 0 | 0 | 113.7 | ||||
| 255 | S | 33 | Very low | 36.3 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | 147.6 | 135.8 | 118.7 | -62.8 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 256 | H | 36.6 | Very low | 36.1 | Very low | 197 Ų | 197 | 131.1 Ų | 131.1 | 91% | 0.912 | 78% | 0.777 | S | S | * | * | trans | 58.9 | 144.6 | 170.6 | -58.5 | -78.3 | 0 | 0 | 0 | 118.7 | ||||
| 257 | G | 34.7 | Very low | 36.3 | Very low | 60 Ų | 60 | 127.4 Ų | 127.4 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | cis | 157.1 | 98.1 | -11.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 258 | G | 33 | Very low | 35.3 | Very low | 76 Ų | 76 | 124.8 Ų | 124.8 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | 71.9 | 178.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 259 | F | 33.7 | Very low | 35.8 | Very low | 199 Ų | 199 | 126.2 Ų | 126.2 | 87% | 0.873 | 77% | 0.773 | S | S | * | * | cis | -155.5 | 158.1 | -6.6 | 32.5 | -100.4 | 0 | 0 | 0 | 108.3 | ||||
| 260 | A | 41.6 | Very low | 36 | Very low | 95 Ų | 95 | 121.2 Ų | 121.2 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -87.9 | 152.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 261 | N | 39.5 | Very low | 36.8 | Very low | 137 Ų | 137 | 123.5 Ų | 123.5 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | 42.7 | 120.4 | 146.6 | -168.7 | -39 | 0 | 0 | 0 | 118.5 | ||||
| 262 | F | 33.1 | Very low | 37.1 | Very low | 192 Ų | 192 | 125.1 Ų | 125.1 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | trans | -137.7 | 145.4 | 135.9 | -151.7 | -114.4 | 0 | 0 | 0 | 112.8 | ||||
| 263 | D | 39.8 | Very low | 37 | Very low | 132 Ų | 132 | 122.1 Ų | 122.1 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -88.4 | -169.2 | 174.7 | -148 | -57.1 | 0 | 0 | 0 | 109.7 | ||||
| 264 | A | 33 | Very low | 37 | Very low | 70 Ų | 70 | 125.4 Ų | 125.4 | 58% | 0.579 | 77% | 0.765 | S | S | * | * | trans | 54.6 | 134.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 265 | F | 32 | Very low | 36.3 | Very low | 193 Ų | 193 | 123 Ų | 123 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | 87.5 | 96.4 | 139 | -147.5 | -100 | 0 | 0 | 0 | 121.7 | ||||
| 266 | S | 30.1 | Very low | 36.2 | Very low | 78 Ų | 78 | 124.5 Ų | 124.5 | 55% | 0.545 | 77% | 0.771 | S | S | . | * | 59.5 | 108.6 | 124.8 | -144.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 267 | S | 41.7 | Very low | 36 | Very low | 120 Ų | 120 | 123 Ų | 123 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | 61.8 | 114 | 121.6 | -43.8 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 268 | G | 30.2 | Very low | 37 | Very low | 75 Ų | 75 | 125.3 Ų | 125.3 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | 157.2 | 166.4 | 150 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 269 | P | 44.5 | Very low | 37.9 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | cis | -122.9 | 172.9 | -6.6 | 40.4 | -27 | 0 | 0 | 0 | 114.4 | ||||
| 270 | S | 38.8 | Very low | 37.8 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -97.5 | 169.3 | 174.2 | -45.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 271 | P | 50.9 | Low | 37.3 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | -124.5 | 157.9 | 122.7 | 2.1 | 19.3 | 0 | 0 | 0 | 111.4 | |||||
| 272 | S | 36.9 | Very low | 37 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | cis | -163.4 | -180 | 1.4 | -121.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 273 | V | 32.7 | Very low | 36.9 | Very low | 133 Ų | 133 | 119.5 Ų | 119.5 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | 87.1 | 96 | 164.3 | -165.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 274 | F | 33.3 | Very low | 37.2 | Very low | 204 Ų | 204 | 118 Ų | 118 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | 55.1 | 127.3 | 127.3 | -134.2 | -92 | 0 | 0 | 0 | 120.4 | |||||
| 275 | G | 32.8 | Very low | 36.9 | Very low | 60 Ų | 60 | 123.6 Ų | 123.6 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | cis | 169.4 | 171.9 | -3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 276 | S | 32.1 | Very low | 36.9 | Very low | 123 Ų | 123 | 122.5 Ų | 122.5 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | 79.5 | 121.9 | 168.9 | -58.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 277 | L | 32.4 | Very low | 37 | Very low | 165 Ų | 165 | 123.1 Ų | 123.1 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -94.4 | -174.2 | 171.1 | -81.6 | 159.6 | 0 | 0 | 0 | 110.3 | ||||
| 278 | P | 54.1 | Low | 36.7 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | cis | -134.9 | -134.3 | -40.3 | 39.5 | -19 | 0 | 0 | 0 | 108.9 | ||||
| 279 | P | 52.2 | Low | 37.3 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | cis | -130.2 | 165.4 | -32.2 | 37.2 | -21 | 0 | 0 | 0 | 116.2 | ||||
| 280 | A | 32.7 | Very low | 36.9 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 88% | 0.876 | 78% | 0.775 | S | S | * | * | trans | 60.9 | 155.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 281 | G | 31 | Very low | 36.8 | Very low | 69 Ų | 69 | 127.3 Ų | 127.3 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | cis | 170.6 | 155 | -10.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 282 | Q | 33.3 | Very low | 35.8 | Very low | 208 Ų | 208 | 126.9 Ų | 126.9 | 97% | 0.972 | 79% | 0.785 | S | S | * | * | trans | 70 | 166.4 | 173.8 | -55.9 | -163.7 | -4.9 | 0 | 0 | 118.4 | ||||
| 283 | A | 30.9 | Very low | 35.5 | Very low | 87 Ų | 87 | 124.6 Ų | 124.6 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | trans | -132.2 | -163.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 284 | P | 45.8 | Very low | 35.4 | Very low | 101 Ų | 101 | 124 Ų | 124 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | cis | -137.7 | -169.2 | -5.3 | 23.7 | 4 | 0 | 0 | 0 | 114.7 | ||||
| 285 | F | 27.6 | Very low | 35.5 | Very low | 187 Ų | 187 | 118.9 Ų | 118.9 | 82% | 0.82 | 77% | 0.77 | S | S | * | * | trans | 78.7 | 145.1 | 155.7 | -73.9 | -65.7 | 0 | 0 | 0 | 123.2 | ||||
| 286 | Q | 31.1 | Very low | 35.4 | Very low | 170 Ų | 170 | 125.5 Ų | 125.5 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | 76 | 118.9 | 144.7 | -73 | -79.5 | -3.4 | 0 | 0 | 123.2 | ||||
| 287 | A | 31.5 | Very low | 35.4 | Very low | 90 Ų | 90 | 123.2 Ų | 123.2 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | 73.2 | 150.3 | 135.9 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 288 | Q | 35.5 | Very low | 35.7 | Very low | 166 Ų | 166 | 122 Ų | 122 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -80.8 | 162.7 | 170.7 | -128.6 | -178 | -86.4 | 0 | 0 | 110.8 | ||||
| 289 | P | 44.4 | Very low | 35.7 | Very low | 117 Ų | 117 | 122 Ų | 122 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | -148.7 | -169.6 | 72.4 | 39.7 | -19 | 0 | 0 | 0 | 116.4 | |||||
| 290 | T | 34.5 | Very low | 34.7 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 69% | 0.693 | 79% | 0.793 | S | S | * | * | trans | -79 | 165.8 | -176.2 | 50.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 291 | P | 36.7 | Very low | 34.7 | Very low | 130 Ų | 130 | 126 Ų | 126 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | -127.9 | -178.8 | 128.1 | 38.6 | -30.9 | 0 | 0 | 0 | 113.4 | |||||
| 292 | A | 30.3 | Very low | 34.8 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | trans | -139.2 | 167.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 293 | G | 30.4 | Very low | 34.9 | Very low | 62 Ų | 62 | 124.5 Ų | 124.5 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | trans | -168.4 | 133.6 | 168 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 294 | S | 31.6 | Very low | 36 | Very low | 121 Ų | 121 | 126 Ų | 126 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | 64.1 | 127.6 | 70.3 | 70.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 295 | S | 34 | Very low | 35.3 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | cis | -172.5 | 153.6 | 7.1 | 43.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 296 | Q | 31.1 | Very low | 35.8 | Very low | 200 Ų | 200 | 124.8 Ų | 124.8 | 94% | 0.935 | 80% | 0.799 | S | S | * | * | trans | 58.3 | 139.4 | 148.2 | -68.6 | 172.9 | -19.4 | 0 | 0 | 121.8 | ||||
| 297 | G | 31.8 | Very low | 36.2 | Very low | 75 Ų | 75 | 122.7 Ų | 122.7 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | 156.9 | 122.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 298 | T | 38.7 | Very low | 36.2 | Very low | 140 Ų | 140 | 124.5 Ų | 124.5 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -134.5 | -167.6 | -175.4 | 60.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 299 | P | 55.2 | Low | 36.2 | Very low | 107 Ų | 107 | 122 Ų | 122 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | -131.6 | 176.3 | -101.9 | 40.6 | -22 | 0 | 0 | 0 | 115.5 | |||||
| 300 | F | 31.5 | Very low | 35.7 | Very low | 223 Ų | 223 | 124.9 Ų | 124.9 | 98% | 0.978 | 81% | 0.807 | S | S | * | * | trans | -177.6 | 148.9 | 151.6 | -90.8 | -67 | 0 | 0 | 0 | 108 | ||||
| 301 | G | 32.6 | Very low | 36.8 | Very low | 74 Ų | 74 | 124.2 Ų | 124.2 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | cis | 151.5 | 107 | -9.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 302 | A | 32.8 | Very low | 37 | Very low | 106 Ų | 106 | 125 Ų | 125 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | -159.2 | 170.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 303 | V | 36 | Very low | 37.2 | Very low | 141 Ų | 141 | 124.4 Ų | 124.4 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -130.3 | 149.5 | -159.7 | 171.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 304 | P | 52.3 | Low | 37.4 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | -103.2 | 178.8 | -177.4 | 41 | -37.1 | 0 | 0 | 0 | 115.2 | ||||
| 305 | L | 32.3 | Very low | 37.6 | Very low | 181 Ų | 181 | 128.7 Ų | 128.7 | 95% | 0.948 | 79% | 0.793 | S | S | * | * | trans | -150.6 | 177.3 | 165.4 | -109.4 | 171.9 | 0 | 0 | 0 | 113.4 | ||||
| 306 | A | 36.9 | Very low | 37.6 | Very low | 81 Ų | 81 | 130.8 Ų | 130.8 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -121.2 | 173.4 | -151.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 307 | P | 40.5 | Very low | 37.8 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -103 | 174 | -175.2 | 40.1 | -34.7 | 0 | 0 | 0 | 115.6 | ||||
| 308 | T | 30.6 | Very low | 37.8 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -145.3 | 140.9 | -168.5 | -26.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 309 | S | 35.4 | Very low | 37.5 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | 72.2 | 145.1 | 145.5 | 46.7 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 310 | Q | 35.2 | Very low | 36.5 | Very low | 177 Ų | 177 | 128.9 Ų | 128.9 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -106 | -170.4 | 168.2 | -87.3 | -88.8 | -18.8 | 0 | 0 | 108.9 | ||||
| 311 | P | 57.9 | Low | 36.9 | Very low | 99 Ų | 99 | 126 Ų | 126 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | cis | -156.4 | -169.1 | 26.4 | 47 | -23.9 | 0 | 0 | 0 | 120.9 | ||||
| 312 | N | 39.6 | Very low | 36.7 | Very low | 147 Ų | 147 | 125.7 Ų | 125.7 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | 73.5 | 156.5 | 156 | -67.1 | -2.9 | 0 | 0 | 0 | 120.1 | ||||
| 313 | S | 34.8 | Very low | 37.7 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | cis | -162.1 | 157.1 | 7.6 | -140.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 314 | L | 34.1 | Very low | 37.4 | Very low | 149 Ų | 149 | 123.9 Ų | 123.9 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | trans | 70.4 | 161.7 | 144 | -114.3 | 108.2 | 0 | 0 | 0 | 127.6 | ||||
| 315 | T | 36.6 | Very low | 36.6 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 69.1 | 144.6 | 168.6 | 40.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 316 | D | 33 | Very low | 37.7 | Very low | 140 Ų | 140 | 121.4 Ų | 121.4 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | cis | -157.2 | -157.1 | -16.8 | -157.5 | -110.5 | 0 | 0 | 0 | 112.4 | ||||
| 317 | V | 35.7 | Very low | 37.5 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -114.2 | 165 | -152.9 | -50.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 318 | G | 33.2 | Very low | 37.1 | Very low | 64 Ų | 64 | 123.1 Ų | 123.1 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | trans | 162.2 | 114 | 161.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 319 | S | 32.4 | Very low | 37.1 | Very low | 107 Ų | 107 | 120.6 Ų | 120.6 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | 75 | 128.4 | 69.3 | -64.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 320 | F | 32.9 | Very low | 37.2 | Very low | 184 Ų | 184 | 121.9 Ų | 121.9 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | cis | -166.3 | 172 | -7.9 | -126.3 | -73.6 | 0 | 0 | 0 | 109.5 | ||||
| 321 | L | 39.5 | Very low | 38.3 | Very low | 162 Ų | 162 | 118.5 Ų | 118.5 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | 82.1 | 133.7 | 166.6 | -48.2 | -176.8 | 0 | 0 | 0 | 120.7 | ||||
| 322 | G | 29 | Very low | 37.1 | Very low | 69 Ų | 69 | 119.1 Ų | 119.1 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | -127.6 | -142.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 323 | P | 53.8 | Low | 37.2 | Very low | 135 Ų | 135 | 117.1 Ų | 117.1 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | cis | -129.1 | -179.9 | -18.4 | 41.1 | -25.5 | 0 | 0 | 0 | 113.3 | ||||
| 324 | G | 29.1 | Very low | 37.5 | Very low | 74 Ų | 74 | 119.8 Ų | 119.8 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | -179 | 143.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 325 | V | 35.6 | Very low | 37.6 | Very low | 137 Ų | 137 | 120.4 Ų | 120.4 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | -153.1 | -177.5 | -165.5 | -157.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 326 | P | 55.2 | Low | 37.4 | Very low | 109 Ų | 109 | 117.1 Ų | 117.1 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | -110.3 | 176.2 | -73.7 | 38 | -25.9 | 0 | 0 | 0 | 115 | |||||
| 327 | T | 33.7 | Very low | 37.5 | Very low | 143 Ų | 143 | 118.2 Ų | 118.2 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | -177 | 154 | 135.4 | 21 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 328 | A | 32.6 | Very low | 37.3 | Very low | 100 Ų | 100 | 116.3 Ų | 116.3 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | cis | 167.8 | 126.2 | -25 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 329 | G | 30.3 | Very low | 37.2 | Very low | 76 Ų | 76 | 116.8 Ų | 116.8 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | 158.7 | 100.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 330 | V | 37.3 | Very low | 37.2 | Very low | 141 Ų | 141 | 120.1 Ų | 120.1 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -166.9 | 169 | -176.8 | -91.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 331 | P | 58.8 | Low | 37.2 | Very low | 107 Ų | 107 | 117.5 Ų | 117.5 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | cis | -136.9 | -173 | -23.7 | 35.8 | -16.9 | 0 | 0 | 0 | 113.7 | ||||
| 332 | S | 32.7 | Very low | 37.4 | Very low | 111 Ų | 111 | 115.2 Ų | 115.2 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -163.2 | 116.3 | 141.2 | -79.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 333 | S | 40.8 | Very low | 38.5 | Very low | 106 Ų | 106 | 117.4 Ų | 117.4 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | 74.8 | 130 | 72.9 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 334 | L | 42.3 | Very low | 37.3 | Very low | 152 Ų | 152 | 119.2 Ų | 119.2 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | cis | -143.5 | -177.7 | 8.2 | -140.2 | 71.8 | 0 | 0 | 0 | 108.3 | ||||
| 335 | F | 35.9 | Very low | 37.4 | Very low | 161 Ų | 161 | 123.7 Ų | 123.7 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | cis | -149.7 | 176.4 | 6.2 | -168 | -135.7 | 0 | 0 | 0 | 106.8 | M337 | F335-M337 HydrophobicContact CE1-CG 4.03Å; F335-M337 HydrophobicContact CE2-CE 4.42Å; F335-M337 HydrophobicContact CZ-CE 3.9Å; F335-M337 HydrophobicContact CZ-CG 4.09Å | ||
| 336 | G | 30.9 | Very low | 37.1 | Very low | 55 Ų | 55 | 122.2 Ų | 122.2 | 57% | 0.567 | 77% | 0.769 | S | S | * | * | 78.4 | 124.3 | 52.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 337 | M | 35.2 | Very low | 35.7 | Very low | 163 Ų | 163 | 123.4 Ų | 123.4 | 80% | 0.803 | 77% | 0.773 | S | S | * | * | cis | -156.6 | -176.9 | 15.3 | -80.3 | -84.2 | -170 | 0 | 0 | 109.4 | F335 | F335-M337 HydrophobicContact CE1-CG 4.03Å; F335-M337 HydrophobicContact CE2-CE 4.42Å; F335-M337 HydrophobicContact CZ-CE 3.9Å; F335-M337 HydrophobicContact CZ-CG 4.09Å | ||
| 338 | A | 32.8 | Very low | 35.5 | Very low | 87 Ų | 87 | 122.6 Ų | 122.6 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | 178.9 | 142.8 | -50.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 339 | G | 30.9 | Very low | 35.4 | Very low | 74 Ų | 74 | 125.8 Ų | 125.8 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | trans | 87.5 | 168.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 340 | Q | 32.7 | Very low | 35.3 | Very low | 177 Ų | 177 | 125.9 Ų | 125.9 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | cis | -169 | 116.8 | -31.7 | -124.2 | -168.7 | -4.1 | 0 | 0 | 111.3 | ||||
| 341 | V | 32.9 | Very low | 34.9 | Very low | 129 Ų | 129 | 124 Ų | 124 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | trans | 61.4 | -175.6 | 152 | -46.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 342 | P | 43.5 | Very low | 33.8 | Very low | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | -137.1 | -139.3 | -122.6 | 36.2 | -8 | 0 | 0 | 0 | 113.7 | |||||
| 343 | P | 51.6 | Low | 33.6 | Very low | 116 Ų | 116 | 124.2 Ų | 124.2 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | -107.8 | 175.8 | -74.2 | 36.8 | -24 | 0 | 0 | 0 | 113.1 | |||||
| 344 | L | 29.5 | Very low | 33.4 | Very low | 172 Ų | 172 | 124.2 Ų | 124.2 | 90% | 0.901 | 77% | 0.766 | S | S | * | * | trans | -148.4 | 163.4 | 161.7 | -112.6 | 170 | 0 | 0 | 0 | 112.2 | ||||
| 345 | Q | 30.5 | Very low | 32.9 | Very low | 169 Ų | 169 | 124.2 Ų | 124.2 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -117.4 | 146.7 | -159.3 | -58 | 171.1 | -80.9 | 0 | 0 | 115.2 | ||||
| 346 | S | 28.3 | Very low | 32.6 | Very low | 106 Ų | 106 | 120.1 Ų | 120.1 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | 68.6 | 170.3 | 139.1 | 71.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 347 | V | 27.2 | Very low | 32.7 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | 76.1 | 129.7 | 176.7 | -176.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 348 | T | 28.5 | Very low | 32.8 | Very low | 127 Ų | 127 | 123 Ų | 123 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | cis | -159.7 | 159 | -19 | -96.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 349 | M | 31.7 | Very low | 32.8 | Very low | 166 Ų | 166 | 129.4 Ų | 129.4 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -73 | 154.9 | 177.1 | -69.5 | 179.9 | 67.2 | 0 | 0 | 114.8 | ||||
| 350 | G | 26.5 | Very low | 33.1 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -143.8 | 129 | 156.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 351 | S | 30.3 | Very low | 33.2 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -102.5 | 158 | -159.8 | -64.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 352 | S | 34.6 | Very low | 33.5 | Very low | 109 Ų | 109 | 129 Ų | 129 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -50.6 | 144.7 | 177.4 | 53.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 353 | S | 29.4 | Very low | 33.8 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | -178.5 | 134.9 | 128.6 | 33.5 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 354 | S | 37 | Very low | 33.6 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | cis | 118.6 | 90 | 10 | 68.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 355 | T | 31.5 | Very low | 34.5 | Very low | 152 Ų | 152 | 128.7 Ų | 128.7 | 93% | 0.933 | 81% | 0.806 | S | S | * | * | trans | -143.1 | 148.6 | 153.8 | 26 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 356 | G | 30.2 | Very low | 35.3 | Very low | 75 Ų | 75 | 130.3 Ų | 130.3 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -84.2 | 170.8 | -159.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 357 | L | 31.7 | Very low | 36.1 | Very low | 188 Ų | 188 | 129.8 Ų | 129.8 | 98% | 0.984 | 81% | 0.812 | S | S | * | * | -151 | 159.8 | 108.4 | -95.7 | 172.8 | 0 | 0 | 0 | 109.1 | |||||
| 358 | A | 37.3 | Very low | 37 | Very low | 90 Ų | 90 | 128 Ų | 128 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | -95 | 145.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 359 | F | 33.2 | Very low | 37.9 | Very low | 222 Ų | 222 | 128.1 Ų | 128.1 | 97% | 0.974 | 82% | 0.815 | S | S | * | * | trans | -147.7 | 155 | 146.7 | -121.4 | -83.9 | 0 | 0 | 0 | 110.8 | ||||
| 360 | G | 36.9 | Very low | 38.3 | Very low | 69 Ų | 69 | 124.6 Ų | 124.6 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -64 | 141.6 | -156.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 361 | A | 34.7 | Very low | 39 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 147.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 362 | F | 40.2 | Very low | 39.7 | Very low | 206 Ų | 206 | 129 Ų | 129 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 141.2 | -176.2 | -70.2 | -107 | 0 | 0 | 0 | 112.3 | ||
| 363 | T | 48.5 | Very low | 40.2 | Very low | 135 Ų | 135 | 128.9 Ų | 128.9 | 83% | 0.828 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 128.4 | 173.6 | 45.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 364 | N | 47.9 | Very low | 41.1 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 133.2 | 173 | -77.8 | -57.1 | 0 | 0 | 0 | 110.6 | F366 | N364-F366 VanDerWaalsContact C-N 3.33Å; N364-F366 PolarHBondContact O-N 2.91Å |
| 365 | P | 48 | Very low | 41.5 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 19.5 | -163.6 | 34.7 | -38.1 | 0 | 0 | 0 | 116 | ||
| 366 | F | 48.2 | Very low | 42 | Very low | 203 Ų | 203 | 130.8 Ų | 130.8 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | 17.8 | -170.7 | -79.8 | -74.8 | 0 | 0 | 0 | 115.6 | N364 | N364-F366 VanDerWaalsContact C-N 3.33Å; N364-F366 PolarHBondContact O-N 2.91Å |
| 367 | A | 44.9 | Very low | 42.8 | Very low | 94 Ų | 94 | 131.7 Ų | 131.7 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 130.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 368 | A | 45.4 | Very low | 43.7 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 144.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A370 | A368-A370 PolarHBondContact O-N 3.24Š|
| 369 | P | 47.6 | Very low | 44.1 | Very low | 130 Ų | 130 | 131.4 Ų | 131.4 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 122.2 | -177.3 | 30 | -33.9 | 0 | 0 | 0 | 112.2 | ||
| 370 | A | 40.9 | Very low | 44.7 | Very low | 91 Ų | 91 | 126 Ų | 126 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 148.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A368 | A368-A370 PolarHBondContact O-N 3.24Š|
| 371 | A | 40.3 | Very low | 45 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 147.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 372 | Q | 45 | Very low | 45.4 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -115.2 | 146.3 | 169.9 | -73.4 | -73.8 | -62.5 | 0 | 0 | 109.4 | ||||
| 373 | P | 46 | Very low | 45.6 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 150.1 | 175.2 | 30.9 | -34.7 | 0 | 0 | 0 | 111.6 | ||
| 374 | P | 46.9 | Very low | 45.1 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77 | 140.3 | -176.9 | 30.9 | -34.9 | 0 | 0 | 0 | 113 | ||
| 375 | L | 46.2 | Very low | 44.6 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 148.2 | 166.1 | -71.6 | 164.9 | 0 | 0 | 0 | 110.5 | ||
| 376 | P | 42.8 | Very low | 44.1 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 137 | -177 | 28.1 | -34.5 | 0 | 0 | 0 | 112.8 | ||
| 377 | S | 46.6 | Very low | 43.7 | Very low | 93 Ų | 93 | 128.6 Ų | 128.6 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 123.6 | 179.5 | 152 | 0 | 0 | 0 | 0 | 112.3 | N379 | S377-N379 PolarHBondContact O-N 2.99Å; S377-N379 PolarHBondContact OG-ND2 3.41Å; S377-N379 VanDerWaalsContact OG-ND2 3.08Å |
| 378 | T | 51.1 | Low | 43.6 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | trans | -76.1 | 96.5 | 166.5 | 52.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 379 | N | 44 | Very low | 43 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | trans | -129.6 | 124.9 | 169.5 | -97.3 | -63.7 | 0 | 0 | 0 | 109.9 | S377 F381 | S377-N379 PolarHBondContact O-N 2.99Å; S377-N379 PolarHBondContact OG-ND2 3.41Å; S377-N379 VanDerWaalsContact OG-ND2 3.08Å; N379-F381 PolarHBondContact O-N 3.18Å | ||
| 380 | P | 46.3 | Very low | 42.9 | Very low | 110 Ų | 110 | 129 Ų | 129 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | trans | -89.9 | 14 | -160.8 | 34.8 | -37 | 0 | 0 | 0 | 116.1 | ||||
| 381 | F | 43.8 | Very low | 42.6 | Very low | 190 Ų | 190 | 128.5 Ų | 128.5 | 83% | 0.833 | 81% | 0.806 | S | S | * | * | trans | -134.8 | 62.3 | -171 | -69.3 | -69.2 | 0 | 0 | 0 | 114.8 | N379 | N379-F381 PolarHBondContact O-N 3.18Š| ||
| 382 | Q | 42.1 | Very low | 42.3 | Very low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -142.5 | 135.6 | 152.2 | -74.1 | -159.3 | -33 | 0 | 0 | 111 | ||||
| 383 | P | 44.5 | Very low | 41.6 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 137.9 | 174 | 32.3 | -33.1 | 0 | 0 | 0 | 111.3 | ||
| 384 | N | 38.3 | Very low | 41.1 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 136.8 | -179.8 | -82.6 | -24 | 0 | 0 | 0 | 112.7 | ||
| 385 | G | 37.6 | Very low | 40.3 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72 | 144.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 386 | L | 38.4 | Very low | 39.8 | Very low | 179 Ų | 179 | 129.1 Ų | 129.1 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 140.1 | -179.9 | -70.9 | 161.4 | 0 | 0 | 0 | 111.6 | ||
| 387 | A | 38.1 | Very low | 39.5 | Very low | 102 Ų | 102 | 128 Ų | 128 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -118.4 | 124.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 388 | P | 43.9 | Very low | 38.7 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -106.9 | 145.7 | 166.8 | 36.2 | -28.1 | 0 | 0 | 0 | 112 | ||||
| 389 | G | 31.8 | Very low | 38.6 | Very low | 71 Ų | 71 | 126.8 Ų | 126.8 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | -144.5 | -166.1 | 158 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 390 | P | 47.3 | Very low | 38 | Very low | 128 Ų | 128 | 124 Ų | 124 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | cis | -114.6 | 156.8 | -19.5 | 37.4 | -26.1 | 0 | 0 | 0 | 111.7 | ||||
| 391 | G | 34.3 | Very low | 37.7 | Very low | 80 Ų | 80 | 128.9 Ų | 128.9 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | -125 | 129.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 392 | F | 32.6 | Very low | 38.2 | Very low | 213 Ų | 213 | 125.1 Ų | 125.1 | 93% | 0.934 | 82% | 0.824 | S | S | * | * | trans | -89.6 | 143.9 | 169.6 | -70.4 | -105.6 | 0 | 0 | 0 | 109.9 | ||||
| 393 | G | 31.4 | Very low | 37.8 | Very low | 73 Ų | 73 | 125.1 Ų | 125.1 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | 152.4 | 83.5 | 165 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 394 | M | 34.8 | Very low | 37.3 | Very low | 177 Ų | 177 | 123.7 Ų | 123.7 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | 42.7 | 114.2 | 126.9 | -168.4 | 163.3 | 169.2 | 0 | 0 | 121.3 | |||||
| 395 | S | 31.4 | Very low | 37.6 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | trans | 51.2 | 123.4 | 141.8 | -52.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 396 | S | 34.7 | Very low | 38.5 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | 173.8 | 166.1 | 73.2 | 45.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 397 | A | 36.2 | Very low | 39.2 | Very low | 98 Ų | 98 | 121 Ų | 121 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | 29.6 | 127.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 398 | G | 30.5 | Very low | 39.1 | Very low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | -90.8 | -155.6 | 144.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 399 | P | 49 | Very low | 38.6 | Very low | 139 Ų | 139 | 120.6 Ų | 120.6 | 90% | 0.903 | 81% | 0.81 | S | S | * | * | cis | -128.5 | -179.1 | -0.9 | 41.9 | -26.8 | 0 | 0 | 0 | 114.1 | ||||
| 400 | G | 30.8 | Very low | 38.7 | Very low | 73 Ų | 73 | 122 Ų | 122 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | 179.3 | 130.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 401 | F | 39.8 | Very low | 38 | Very low | 212 Ų | 212 | 125.6 Ų | 125.6 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | trans | -138.9 | 167.8 | 169.2 | -88.1 | -79.5 | 0 | 0 | 0 | 107.1 | ||||
| 402 | P | 54.1 | Low | 38.1 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | cis | -132.2 | -174.1 | -2.4 | 37.1 | -17.3 | 0 | 0 | 0 | 115 | ||||
| 403 | Q | 34.8 | Very low | 38.3 | Very low | 181 Ų | 181 | 119.9 Ų | 119.9 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | 27.4 | 127.2 | 155.9 | -76.8 | -160.8 | -84.1 | 0 | 0 | 123 | ||||
| 404 | A | 33 | Very low | 38.3 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | -154.9 | 167.5 | 127.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 405 | V | 44.9 | Very low | 38.4 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | trans | -128 | 174.4 | 178 | -144.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 406 | P | 56.7 | Low | 39.1 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | -89.9 | -178.1 | -106.4 | 41.8 | -29.6 | 0 | 0 | 0 | 114.2 | |||||
| 407 | P | 52.8 | Low | 39.5 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -129.6 | 159.7 | 137.9 | 37.6 | -29.1 | 0 | 0 | 0 | 114.6 | ||||
| 408 | T | 36 | Very low | 40.1 | Very low | 145 Ų | 145 | 123 Ų | 123 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -77.7 | 147.1 | 172 | 50 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 409 | G | 32.6 | Very low | 40.5 | Very low | 81 Ų | 81 | 127.6 Ų | 127.6 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 170.1 | 108.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 410 | A | 35.2 | Very low | 40.1 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -60.2 | 158.8 | -175 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 411 | F | 32.7 | Very low | 41.2 | Very low | 203 Ų | 203 | 132.8 Ų | 132.8 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -148.1 | 162.7 | 143.9 | -149.4 | -105.8 | 0 | 0 | 0 | 114 | ||||
| 412 | A | 35.4 | Very low | 41.6 | Very low | 65 Ų | 65 | 128.6 Ų | 128.6 | 54% | 0.537 | 79% | 0.793 | S | S | . | * | trans | -44.9 | 141.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 413 | S | 36.4 | Very low | 40.8 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | cis | 98 | 123.5 | 28.6 | 79.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 414 | S | 33 | Very low | 40.9 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -170 | 113.5 | 160.7 | -88.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 415 | F | 37 | Very low | 41.5 | Very low | 198 Ų | 198 | 131.2 Ų | 131.2 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | trans | 63.4 | 167.4 | 148.6 | -61.5 | -71.4 | 0 | 0 | 0 | 118.7 | ||||
| 416 | P | 46 | Very low | 40.9 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | -130 | 171.1 | -97.1 | 30.9 | -8 | 0 | 0 | 0 | 115.5 | |||||
| 417 | A | 42.8 | Very low | 39.8 | Very low | 87 Ų | 87 | 132.8 Ų | 132.8 | 72% | 0.719 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 148.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 418 | P | 47.5 | Very low | 38.8 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 151.7 | 174.9 | 32 | -35 | 0 | 0 | 0 | 112.8 | ||
| 419 | L | 38.8 | Very low | 38.7 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 146.7 | -176.9 | -83.9 | 65.7 | 0 | 0 | 0 | 113.4 | ||
| 420 | F | 42.2 | Very low | 38.8 | Very low | 202 Ų | 202 | 141.6 Ų | 141.6 | 89% | 0.886 | 81% | 0.807 | S | S | * | * | trans | -107.6 | 140.1 | 152.7 | -81.2 | -92.5 | 0 | 0 | 0 | 109.5 | ||||
| 421 | P | 53.3 | Low | 38.5 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 141.3 | 175.4 | 32.1 | -33.6 | 0 | 0 | 0 | 112.5 | ||
| 422 | P | 47.8 | Very low | 38.5 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 171.5 | 175.5 | 35.6 | -35.8 | 0 | 0 | 0 | 113.2 | ||
| 423 | Q | 38 | Very low | 38.3 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 160.2 | 178.9 | -63.1 | -169.8 | 0.3 | 0 | 0 | 114 | ||
| 424 | T | 36.8 | Very low | 38.1 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 87% | 0.871 | 81% | 0.813 | S | S | * | * | trans | -139.9 | 126.3 | 166.8 | 23 | 0 | 0 | 0 | 0 | 111 | ||||
| 425 | P | 45 | Very low | 37.9 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -110.4 | 127.8 | 174.6 | 35.8 | -27.3 | 0 | 0 | 0 | 113.3 | ||||
| 426 | L | 33.1 | Very low | 37.5 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 94% | 0.937 | 81% | 0.811 | S | S | * | * | trans | -160.7 | 154.6 | 162.5 | -130.7 | 73.2 | 0 | 0 | 0 | 106.9 | ||||
| 427 | A | 33.8 | Very low | 36.6 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | cis | -140.6 | 166.2 | 4.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 428 | Q | 32.2 | Very low | 36.1 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -105.2 | 120.6 | -178.6 | 173.9 | -179.7 | -15.2 | 0 | 0 | 109.9 | ||||
| 429 | Q | 32.9 | Very low | 35.2 | Very low | 194 Ų | 194 | 141.2 Ų | 141.2 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | trans | -95 | 120.1 | 172.8 | -166.9 | 176.9 | 15 | 0 | 0 | 110.7 | ||||
| 430 | Q | 34.2 | Very low | 35.1 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -85.3 | 143.4 | 165.6 | -68.3 | 175.2 | -41.7 | 0 | 0 | 110 | ||||
| 431 | N | 29.6 | Very low | 34.7 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | -141.6 | 139.7 | 143.1 | -170.8 | 27.3 | 0 | 0 | 0 | 108.3 | ||||
| 432 | G | 31.8 | Very low | 33.8 | Very low | 64 Ų | 64 | 137.6 Ų | 137.6 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | trans | -157.1 | 139.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 433 | S | 32.5 | Very low | 33 | Very low | 126 Ų | 126 | 139 Ų | 139 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | trans | -150 | 157 | 170.5 | -84.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 434 | S | 31.3 | Very low | 32.7 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -117.8 | 179.1 | -174.3 | -170 | 0 | 0 | 0 | 0 | 111 | ||||
| 435 | F | 28.3 | Very low | 32.7 | Very low | 207 Ų | 207 | 135.3 Ų | 135.3 | 91% | 0.908 | 80% | 0.798 | S | S | * | * | trans | 64.9 | 153.4 | -175.5 | -78.9 | -107.6 | 0 | 0 | 0 | 115.5 | ||||
| 436 | G | 29.8 | Very low | 31.9 | Very low | 65 Ų | 65 | 139.7 Ų | 139.7 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | cis | 159.7 | 137.7 | -11.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 437 | D | 27.5 | Very low | 32.6 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | 73.8 | 153.6 | 158.1 | -136.3 | -9.5 | 0 | 0 | 0 | 120.8 | ||||
| 438 | L | 31.5 | Very low | 32.6 | Very low | 161 Ų | 161 | 138 Ų | 138 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | 43.2 | 138.3 | 167.9 | -49.3 | -178.2 | 0 | 0 | 0 | 120.6 | ||||
| 439 | G | 28.4 | Very low | 32.7 | Very low | 65 Ų | 65 | 134.9 Ų | 134.9 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | cis | 162.5 | 163.1 | -3.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 440 | S | 36.5 | Very low | 33 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | 71.7 | 141.3 | 174.8 | -64.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 441 | A | 33.9 | Very low | 33.9 | Very low | 84 Ų | 84 | 131.5 Ų | 131.5 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | cis | -165 | 159.1 | -13.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 442 | K | 33.8 | Very low | 34.2 | Very low | 197 Ų | 197 | 131 Ų | 131 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | 66.1 | 150.4 | 161.6 | -75.6 | -172.5 | 172.5 | 177.5 | 0 | 118 | ||||
| 443 | L | 32.2 | Very low | 34.4 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | cis | -168.7 | 137 | -19.8 | -173 | 157 | 0 | 0 | 0 | 105.8 | ||||
| 444 | G | 32.5 | Very low | 35.1 | Very low | 60 Ų | 60 | 133.6 Ų | 133.6 | 62% | 0.619 | 78% | 0.779 | S | S | * | * | cis | 173.6 | -162.2 | 1.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 445 | Q | 35.3 | Very low | 35.4 | Very low | 192 Ų | 192 | 132.5 Ų | 132.5 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | 67.6 | 116.5 | 175.8 | -63.7 | -66.2 | 5.7 | 0 | 0 | 119.1 | ||||
| 446 | R | 28.9 | Very low | 36.1 | Very low | 207 Ų | 207 | 127.8 Ų | 127.8 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | trans | -104.6 | -163.7 | 169.1 | -139.2 | -173.7 | 162.7 | -150.3 | -0.3 | 105.7 | ||||
| 447 | P | 48.3 | Very low | 36.8 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 60% | 0.604 | 76% | 0.763 | S | S | * | * | cis | -139.3 | 168.6 | -16.5 | 40.2 | -22.7 | 0 | 0 | 0 | 117.2 | ||||
| 448 | L | 33.9 | Very low | 37.6 | Very low | 140 Ų | 140 | 130 Ų | 130 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 58.5 | 159 | 143.3 | -90.9 | 61.8 | 0 | 0 | 0 | 120 | ||||
| 449 | S | 33.7 | Very low | 38.1 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | cis | -155.9 | 171.8 | -7.1 | 27.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 450 | Q | 38.7 | Very low | 38.8 | Very low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -79 | -166.2 | 178.9 | -57.2 | -179.5 | -35.7 | 0 | 0 | 112.2 | ||||
| 451 | P | 54.3 | Low | 38.8 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | cis | -150.9 | 178.5 | 8.8 | 45.2 | -23.7 | 0 | 0 | 0 | 120.8 | ||||
| 452 | V | 34.5 | Very low | 38.8 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 92% | 0.915 | 77% | 0.768 | S | S | * | * | trans | 60.2 | 140.7 | 143.4 | 163.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 453 | G | 36.1 | Very low | 40.3 | Very low | 67 Ų | 67 | 132.8 Ų | 132.8 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | trans | 156.5 | 147.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 454 | I | 47 | Very low | 40.4 | Very low | 179 Ų | 179 | 131 Ų | 131 | 92% | 0.918 | 77% | 0.768 | S | S | * | * | trans | -154.2 | 153.6 | 177 | -17.8 | 172.9 | 0 | 0 | 0 | 112.3 | ||||
| 455 | S | 38.8 | Very low | 40.7 | Very low | 80 Ų | 80 | 133.6 Ų | 133.6 | 56% | 0.559 | 78% | 0.777 | S | S | * | * | trans | 139.7 | 147 | 138.1 | -167.8 | 0 | 0 | 0 | 0 | 119.6 | Q199 | Q199-S455 PolarHBondContact NE2-O 3.04Š| ||
| 456 | T | 42.1 | Very low | 40.9 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | trans | 76.6 | 151.4 | 149.2 | 24.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 457 | N | 44.7 | Very low | 42.1 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -130.9 | 162.3 | -172.9 | -54.1 | -63.3 | 0 | 0 | 0 | 113.5 | ||||
| 458 | P | 43.8 | Very low | 41.5 | Very low | 121 Ų | 121 | 131 Ų | 131 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -135.7 | -173.2 | 144.6 | 31.4 | -12.5 | 0 | 0 | 0 | 114.9 | ||||
| 459 | F | 43.3 | Very low | 41.6 | Very low | 197 Ų | 197 | 129 Ų | 129 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -141.1 | 163.7 | -157.4 | -111.2 | -85.6 | 0 | 0 | 0 | 116.8 | ||||
| 460 | M | 41.9 | Very low | 41.8 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 77% | 0.768 | 79% | 0.793 | S | S | * | * | trans | 79.1 | 128.3 | 154.4 | -61.6 | -132.2 | 70.1 | 0 | 0 | 123.6 | ||||
| 461 | T | 37.8 | Very low | 41.8 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | 162.6 | 171.6 | 113.9 | 42.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 462 | G | 33.3 | Very low | 41.9 | Very low | 68 Ų | 68 | 131.1 Ų | 131.1 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -168.4 | -152.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 463 | P | 65.3 | Low | 42.8 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | cis | -137.9 | 178.3 | -25.4 | 43.2 | -27 | 0 | 0 | 0 | 114.6 | ||||
| 464 | S | 34 | Very low | 43.3 | Very low | 118 Ų | 118 | 133 Ų | 133 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -176 | 177.1 | 163 | 57.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 465 | S | 40 | Very low | 43.6 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | -164.4 | 140 | -61.9 | 55.2 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 466 | S | 38.2 | Very low | 44.1 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -75.2 | 170.6 | -176.1 | -37.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 467 | P | 55.1 | Low | 45 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | -159.3 | -177.2 | 86 | 43.5 | -23.3 | 0 | 0 | 0 | 119 | |||||
| 468 | F | 34.7 | Very low | 45.2 | Very low | 206 Ų | 206 | 135.1 Ų | 135.1 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | trans | 77.4 | 165 | 161.6 | -85.3 | -76 | 0 | 0 | 0 | 121.5 | ||||
| 469 | A | 36.3 | Very low | 44.8 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 79% | 0.793 | 83% | 0.825 | S | S | * | * | trans | -156.9 | 161.7 | -146.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 470 | S | 37.9 | Very low | 44.9 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -159.8 | 168.6 | 164.1 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 471 | K | 39.3 | Very low | 45.1 | Very low | 199 Ų | 199 | 136.8 Ų | 136.8 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 149.3 | -171.9 | -53.8 | 168.9 | -176.8 | 173.3 | 0 | 112.5 | ||
| 472 | P | 56.3 | Low | 45.5 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 146.2 | 156 | 34.3 | -31.8 | 0 | 0 | 0 | 111.4 | ||
| 473 | P | 51.9 | Low | 46.2 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 161.4 | 174.7 | 36 | -34.4 | 0 | 0 | 0 | 114.1 | ||
| 474 | T | 46.8 | Very low | 45 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 146.7 | 170.7 | -51.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 475 | T | 54.3 | Low | 45.7 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | -176.5 | 129.4 | 125.9 | -72.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 476 | N | 48.5 | Very low | 46.1 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 68% | 0.679 | 83% | 0.831 | S | S | * | * | trans | -76 | 138.9 | 167.9 | -80.8 | -9.3 | 0 | 0 | 0 | 110.6 | ||||
| 477 | P | 60.9 | Low | 46.7 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 68% | 0.675 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -80.3 | 130.7 | 149.9 | 32.8 | -28 | 0 | 0 | 0 | 109.6 | ||
| 478 | F | 48.6 | Very low | 46 | Very low | 190 Ų | 190 | 149.3 Ų | 149.3 | 83% | 0.833 | 84% | 0.839 | S | S | * | * | trans | 72.1 | 114.1 | 179 | -45.7 | -73.3 | 0 | 0 | 0 | 116.5 | ||||
| 479 | L | 36.9 | Very low | 47.1 | Very low | 236 Ų | 236 | 144.2 Ų | 144.2 | 100% | 1.236 | 83% | 0.833 | S | S | * | * | trans | 70.7 | 0 | 174.3 | -57.6 | 168.4 | 0 | 0 | 0 | 115.8 |
Retrieved 479 of 479 residues in 241.6 ms
(Link to these results)