| 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 | T | 51.3 | Low | 75.7 | Confident | 192 Ų | 192 | 111.6 Ų | 111.6 | 100% | 1.178 | 64% | 0.642 | S | S | * | * | 0 | 112.9 | 0 | -48.8 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 2 | A | 60.7 | Low | 76.4 | Confident | 100 Ų | 100 | 108.8 Ų | 108.8 | 83% | 0.826 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 137.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 3 | L | 66.3 | Low | 77.1 | Confident | 149 Ų | 149 | 107.8 Ų | 107.8 | 78% | 0.78 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 136.9 | 175.8 | -71.1 | 167.7 | 0 | 0 | 0 | 109.5 | ||
| 4 | D | 80.4 | Confident | 77.3 | Confident | 91 Ų | 91 | 109.9 Ų | 109.9 | 49% | 0.487 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 138 | 177.6 | 179.6 | -88.1 | 0 | 0 | 0 | 111 | S6 Q7 L8 | D4-S6 PolarHBondContact O-N 3.26Å; D4-S6 WeakPolarHBondContact OD1-CA 3.49Å; D4-S6 WeakPolarHBondContact OD1-CB 3.35Å; D4-S6 PolarHBondContact OD1-N 2.77Å; D4-Q7 HydrophobicContact CB-CB 4.47Å; D4-Q7 HydrophobicContact CB-CG 4.12Å; D4-Q7 WeakPolarHBondContact O-CB 3.08Å; D4-Q7 PolarHBondContact O-N 2.96Å; D4-Q7 VanDerWaalsContact O-N 3.08Å; D4-L8 PolarHBondContact O-N 3.18Å; D4-L8 VanDerWaalsContact O-N 3.17Å |
| 5 | P | 77.5 | Confident | 77.3 | Confident | 103 Ų | 103 | 108.5 Ų | 108.5 | 67% | 0.669 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61.1 | -26.3 | -176.9 | 22.5 | -33.8 | 0 | 0 | 0 | 113.9 | Q9 | P5-Q9 PolarHBondContact O-N 3.43Å; P5-Q9 VanDerWaalsContact O-N 3.13Å |
| 6 | S | 81.9 | Confident | 77.1 | Confident | 79 Ų | 79 | 106.1 Ų | 106.1 | 55% | 0.552 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.4 | -43.2 | 174.3 | -163.6 | 0 | 0 | 0 | 0 | 111.4 | D4 L8 Q9 Q10 | D4-S6 PolarHBondContact O-N 3.26Å; D4-S6 WeakPolarHBondContact OD1-CA 3.49Å; D4-S6 WeakPolarHBondContact OD1-CB 3.35Å; D4-S6 PolarHBondContact OD1-N 2.77Å; S6-L8 VanDerWaalsContact C-N 3.33Å; S6-L8 PolarHBondContact O-N 3.31Å; S6-Q9 PolarHBondContact O-N 3.31Å; S6-Q10 WeakPolarHBondContact O-CB 3.34Å; S6-Q10 PolarHBondContact O-N 2.99Å |
| 7 | Q | 80.4 | Confident | 76.7 | Confident | 109 Ų | 109 | 109.5 Ų | 109.5 | 51% | 0.509 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59.4 | -43.8 | 174.7 | -68.8 | -86 | 24.6 | 0 | 0 | 111.2 | D4 Q9 Q10 V11 | D4-Q7 HydrophobicContact CB-CB 4.47Å; D4-Q7 HydrophobicContact CB-CG 4.12Å; D4-Q7 WeakPolarHBondContact O-CB 3.08Å; D4-Q7 PolarHBondContact O-N 2.96Å; D4-Q7 VanDerWaalsContact O-N 3.08Å; Q7-Q9 PolarHBondContact O-N 2.78Å; Q7-Q10 PolarHBondContact O-N 3.43Å; Q7-V11 WeakPolarHBondContact O-CG2 3.19Å; Q7-V11 PolarHBondContact O-N 2.9Å |
| 8 | L | 81.4 | Confident | 76 | Confident | 101 Ų | 101 | 107.4 Ų | 107.4 | 53% | 0.529 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.5 | -45 | 177.8 | -179.4 | 60.5 | 0 | 0 | 0 | 111.8 | D4 S6 Q10 V11 I12 | D4-L8 PolarHBondContact O-N 3.18Å; D4-L8 VanDerWaalsContact O-N 3.17Å; S6-L8 VanDerWaalsContact C-N 3.33Å; S6-L8 PolarHBondContact O-N 3.31Å; L8-Q10 VanDerWaalsContact C-N 3.28Å; L8-Q10 PolarHBondContact O-N 3.49Å; L8-V11 PolarHBondContact O-N 3.39Å; L8-I12 HydrophobicContact CD1-CD1 4.24Å; L8-I12 HydrophobicContact CD1-CG1 4.48Å; L8-I12 HydrophobicContact CG-CD1 4Å; L8-I12 VanDerWaalsContact O-CG1 3.31Å; L8-I12 WeakPolarHBondContact O-CG1 3.44Å; L8-I12 PolarHBondContact O-N 2.87Å |
| 9 | Q | 83.8 | Confident | 75 | Confident | 103 Ų | 103 | 109.3 Ų | 109.3 | 48% | 0.481 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.7 | -34.9 | 177.5 | -169.9 | 61.1 | 75.5 | 0 | 0 | 112.2 | P5 S6 Q7 N13 | P5-Q9 PolarHBondContact O-N 3.43Å; P5-Q9 VanDerWaalsContact O-N 3.13Å; S6-Q9 PolarHBondContact O-N 3.31Å; Q7-Q9 PolarHBondContact O-N 2.78Å; Q9-N13 WeakPolarHBondContact O-CB 3.01Å; Q9-N13 VanDerWaalsContact O-CG 3.31Å; Q9-N13 PolarHBondContact O-N 3.08Å; Q9-N13 PolarHBondContact O-ND2 3.15Å |
| 10 | Q | 85.2 | Confident | 74 | Confident | 123 Ų | 123 | 109.7 Ų | 109.7 | 58% | 0.575 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.6 | -40.3 | 177.3 | -161.5 | 167.3 | 9.5 | 0 | 0 | 112 | S6 Q7 L8 N13 Q14 | S6-Q10 WeakPolarHBondContact O-CB 3.34Å; S6-Q10 PolarHBondContact O-N 2.99Å; Q7-Q10 PolarHBondContact O-N 3.43Å; L8-Q10 VanDerWaalsContact C-N 3.28Å; L8-Q10 PolarHBondContact O-N 3.49Å; Q10-N13 PolarHBondContact O-N 3.14Å; Q10-Q14 WeakPolarHBondContact O-CB 3.22Å; Q10-Q14 PolarHBondContact O-N 3.04Å |
| 11 | V | 84.3 | Confident | 72.9 | Confident | 78 Ų | 78 | 112.8 Ų | 112.8 | 47% | 0.473 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.1 | -44.9 | 172 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | Q7 L8 N13 Q14 V15 | Q7-V11 WeakPolarHBondContact O-CG2 3.19Å; Q7-V11 PolarHBondContact O-N 2.9Å; L8-V11 PolarHBondContact O-N 3.39Å; V11-N13 VanDerWaalsContact C-N 3.32Å; V11-N13 PolarHBondContact O-N 2.83Å; V11-Q14 PolarHBondContact O-N 3.21Å; V11-Q14 VanDerWaalsContact O-N 3.15Å; V11-V15 HydrophobicContact CG1-CG2 4.3Å; V11-V15 WeakPolarHBondContact O-CG2 3.29Å; V11-V15 PolarHBondContact O-N 3.12Å |
| 12 | I | 83.4 | Confident | 72.7 | Confident | 77 Ų | 77 | 109.2 Ų | 109.2 | 40% | 0.395 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -58.2 | -45 | 176.4 | -69.9 | 165 | 0 | 0 | 0 | 111 | L8 Q14 V15 T16 | L8-I12 HydrophobicContact CD1-CD1 4.24Å; L8-I12 HydrophobicContact CD1-CG1 4.48Å; L8-I12 HydrophobicContact CG-CD1 4Å; L8-I12 VanDerWaalsContact O-CG1 3.31Å; L8-I12 WeakPolarHBondContact O-CG1 3.44Å; L8-I12 PolarHBondContact O-N 2.87Å; I12-Q14 VanDerWaalsContact C-N 3.35Å; I12-Q14 PolarHBondContact O-N 3.2Å; I12-V15 PolarHBondContact O-N 2.96Å; I12-T16 WeakPolarHBondContact O-CB 3.47Å; I12-T16 PolarHBondContact O-N 3.26Å; I12-T16 PolarHBondContact O-OG1 2.85Å |
| 13 | N | 85.3 | Confident | 71.9 | Confident | 96 Ų | 96 | 112.2 Ų | 112.2 | 51% | 0.513 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.7 | -37.7 | 177.5 | -75.1 | -18.1 | 0 | 0 | 0 | 112 | Q9 Q10 V11 K17 | Q9-N13 WeakPolarHBondContact O-CB 3.01Å; Q9-N13 VanDerWaalsContact O-CG 3.31Å; Q9-N13 PolarHBondContact O-N 3.08Å; Q9-N13 PolarHBondContact O-ND2 3.15Å; Q10-N13 PolarHBondContact O-N 3.14Å; V11-N13 VanDerWaalsContact C-N 3.32Å; V11-N13 PolarHBondContact O-N 2.83Å; N13-K17 VanDerWaalsContact O-CB 3.24Å; N13-K17 WeakPolarHBondContact O-CB 3.32Å; N13-K17 PolarHBondContact O-N 2.72Å |
| 14 | Q | 80.8 | Confident | 70.5 | Confident | 138 Ų | 138 | 110.4 Ų | 110.4 | 65% | 0.645 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.7 | -38.8 | 178.5 | -169.1 | 159.7 | 82.4 | 0 | 0 | 112.4 | Q10 V11 I12 S18 | Q10-Q14 WeakPolarHBondContact O-CB 3.22Å; Q10-Q14 PolarHBondContact O-N 3.04Å; V11-Q14 PolarHBondContact O-N 3.21Å; V11-Q14 VanDerWaalsContact O-N 3.15Å; I12-Q14 VanDerWaalsContact C-N 3.35Å; I12-Q14 PolarHBondContact O-N 3.2Å; Q14-S18 WeakPolarHBondContact O-CB 3.39Å; Q14-S18 PolarHBondContact O-N 2.87Å; Q14-S18 VanDerWaalsContact O-N 3.07Å; Q14-S18 PolarHBondContact O-OG 3.39Å |
| 15 | V | 76.7 | Confident | 68.6 | Low | 89 Ų | 89 | 111.4 Ų | 111.4 | 54% | 0.539 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.1 | -45.9 | 173 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | V11 I12 K17 S18 Q19 | V11-V15 HydrophobicContact CG1-CG2 4.3Å; V11-V15 WeakPolarHBondContact O-CG2 3.29Å; V11-V15 PolarHBondContact O-N 3.12Å; I12-V15 PolarHBondContact O-N 2.96Å; V15-K17 VanDerWaalsContact C-N 3.33Å; V15-K17 PolarHBondContact O-N 2.86Å; V15-S18 PolarHBondContact O-N 3.07Å; V15-Q19 PolarHBondContact O-N 3.36Å |
| 16 | T | 73.4 | Confident | 66.9 | Low | 69 Ų | 69 | 115.5 Ų | 115.5 | 42% | 0.423 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.6 | -41.8 | 177.5 | -53.1 | 0 | 0 | 0 | 0 | 111.8 | I12 S18 Q19 N20 | I12-T16 WeakPolarHBondContact O-CB 3.47Å; I12-T16 PolarHBondContact O-N 3.26Å; I12-T16 PolarHBondContact O-OG1 2.85Å; T16-S18 VanDerWaalsContact C-N 3.33Å; T16-S18 PolarHBondContact O-N 3.36Å; T16-Q19 PolarHBondContact O-N 2.96Å; T16-N20 PolarHBondContact O-N 2.88Å |
| 17 | K | 71.8 | Confident | 64.8 | Low | 165 Ų | 165 | 119.1 Ų | 119.1 | 72% | 0.717 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.2 | -30.8 | 178.9 | -158.9 | 172.9 | -171.3 | -179.9 | 0 | 112.7 | N13 V15 | N13-K17 VanDerWaalsContact O-CB 3.24Å; N13-K17 WeakPolarHBondContact O-CB 3.32Å; N13-K17 PolarHBondContact O-N 2.72Å; V15-K17 VanDerWaalsContact C-N 3.33Å; V15-K17 PolarHBondContact O-N 2.86Å |
| 18 | S | 62.5 | Low | 63.2 | Low | 71 Ų | 71 | 121.6 Ų | 121.6 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -73.7 | -37.3 | 172.2 | -62.6 | 0 | 0 | 0 | 0 | 112.5 | Q14 V15 T16 N20 Q21 | Q14-S18 WeakPolarHBondContact O-CB 3.39Å; Q14-S18 PolarHBondContact O-N 2.87Å; Q14-S18 VanDerWaalsContact O-N 3.07Å; Q14-S18 PolarHBondContact O-OG 3.39Å; V15-S18 PolarHBondContact O-N 3.07Å; T16-S18 VanDerWaalsContact C-N 3.33Å; T16-S18 PolarHBondContact O-N 3.36Å; S18-N20 VanDerWaalsContact C-N 3.34Å; S18-N20 PolarHBondContact O-N 3.3Å; S18-Q21 PolarHBondContact O-N 2.81Å; S18-Q21 VanDerWaalsContact O-N 3.13Å |
| 19 | Q | 58.8 | Low | 61.5 | Low | 143 Ų | 143 | 122.7 Ų | 122.7 | 67% | 0.668 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.9 | -38.8 | 178 | -169.1 | 178 | 86.6 | 0 | 0 | 112.1 | V15 T16 Q21 V22 | V15-Q19 PolarHBondContact O-N 3.36Å; T16-Q19 PolarHBondContact O-N 2.96Å; Q19-Q21 PolarHBondContact O-N 2.81Å; Q19-V22 PolarHBondContact O-N 2.74Å; Q19-V22 VanDerWaalsContact O-N 3.08Å |
| 20 | N | 55 | Low | 59.9 | Low | 117 Ų | 117 | 127 Ų | 127 | 63% | 0.626 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -9.6 | 175.7 | -84.9 | -11.2 | 0 | 0 | 0 | 114.9 | T16 S18 | T16-N20 PolarHBondContact O-N 2.88Å; S18-N20 VanDerWaalsContact C-N 3.34Å; S18-N20 PolarHBondContact O-N 3.3Å |
| 21 | Q | 50.7 | Low | 58.3 | Low | 176 Ų | 176 | 128.5 Ų | 128.5 | 82% | 0.822 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 0.9 | 170.3 | -70.1 | -156.4 | 110.3 | 0 | 0 | 113.6 | S18 Q19 | S18-Q21 PolarHBondContact O-N 2.81Å; S18-Q21 VanDerWaalsContact O-N 3.13Å; Q19-Q21 PolarHBondContact O-N 2.81Å |
| 22 | V | 46.3 | Very low | 56.9 | Low | 117 Ų | 117 | 130.6 Ų | 130.6 | 71% | 0.709 | 67% | 0.672 | S | S | * | * | trans | -106.8 | 30.6 | 170.5 | -161.9 | 0 | 0 | 0 | 0 | 110.5 | Q19 V24 | Q19-V22 PolarHBondContact O-N 2.74Å; Q19-V22 VanDerWaalsContact O-N 3.08Å; V22-V24 PolarHBondContact O-N 3Å | ||
| 23 | Q | 43.2 | Very low | 55.9 | Low | 163 Ų | 163 | 132.3 Ų | 132.3 | 76% | 0.762 | 68% | 0.681 | S | S | * | * | trans | -82.8 | 93.9 | 158.3 | -168.7 | 140.1 | 43.7 | 0 | 0 | 107.9 | ||||
| 24 | V | 38.3 | Very low | 55 | Low | 110 Ų | 110 | 130.3 Ų | 130.3 | 67% | 0.667 | 68% | 0.678 | S | S | * | * | trans | -44.8 | 135.4 | 173.1 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | V22 Q26 | V22-V24 PolarHBondContact O-N 3Å; V24-Q26 PolarHBondContact O-N 3.02Å | ||
| 25 | P | 39.5 | Very low | 54.5 | Low | 113 Ų | 113 | 125.7 Ų | 125.7 | 73% | 0.734 | 66% | 0.661 | S | S | * | * | trans | -54.7 | 108.8 | 173.2 | -24 | 34 | 0 | 0 | 0 | 109.3 | E27 | P25-E27 PolarHBondContact O-N 2.86Š| ||
| 26 | Q | 41.7 | Very low | 54.4 | Low | 188 Ų | 188 | 124.6 Ų | 124.6 | 88% | 0.879 | 66% | 0.655 | S | S | * | * | trans | -66.4 | 111.3 | -179.5 | -176.2 | 179.3 | -18.2 | 0 | 0 | 107.9 | V24 N28 | V24-Q26 PolarHBondContact O-N 3.02Å; Q26-N28 PolarHBondContact O-N 3.15Å | ||
| 27 | E | 38.4 | Very low | 54.6 | Low | 155 Ų | 155 | 127.1 Ų | 127.1 | 72% | 0.724 | 66% | 0.662 | S | S | * | * | trans | -60.3 | 129.8 | -169.6 | -55.5 | -165.9 | 134.1 | 0 | 0 | 110.6 | P25 L29 | P25-E27 PolarHBondContact O-N 2.86Å; E27-L29 HydrophobicContact CB-CD1 4.23Å; E27-L29 HydrophobicContact CB-CG 4.3Å; E27-L29 PolarHBondContact O-N 3.13Å | ||
| 28 | N | 46.5 | Very low | 55 | Low | 161 Ų | 161 | 125.2 Ų | 125.2 | 86% | 0.861 | 66% | 0.659 | S | S | * | * | trans | -76.7 | 70.2 | -178.7 | -173.2 | 0.1 | 0 | 0 | 0 | 109.9 | Q26 | Q26-N28 PolarHBondContact O-N 3.15Š| ||
| 29 | L | 45.7 | Very low | 55.8 | Low | 125 Ų | 125 | 128.9 Ų | 128.9 | 65% | 0.654 | 67% | 0.666 | S | S | * | * | trans | -116.9 | 84.3 | 179.4 | -68.6 | 175.6 | 0 | 0 | 0 | 109.8 | E27 H31 | E27-L29 HydrophobicContact CB-CD1 4.23Å; E27-L29 HydrophobicContact CB-CG 4.3Å; E27-L29 PolarHBondContact O-N 3.13Å; L29-H31 PolarHBondContact O-N 3.08Å | ||
| 30 | Q | 50.4 | Low | 57 | Low | 192 Ų | 192 | 125.3 Ų | 125.3 | 90% | 0.897 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 55.8 | 6 | 147.5 | -135.4 | 161.9 | 14.6 | 0 | 0 | 119.4 | N32 | Q30-N32 PolarHBondContact O-N 3.01Š|
| 31 | H | 50.9 | Low | 58.3 | Low | 156 Ų | 156 | 123.1 Ų | 123.1 | 72% | 0.722 | 65% | 0.648 | S | S | * | * | trans | -89.2 | 1.8 | -174.5 | -135.4 | 101.8 | 0 | 0 | 0 | 114.7 | L29 S35 | L29-H31 PolarHBondContact O-N 3.08Å; H31-S35 PolarHBondContact O-OG 3.3Å | ||
| 32 | N | 56.2 | Low | 59.6 | Low | 121 Ų | 121 | 117.7 Ų | 117.7 | 65% | 0.647 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -81 | -29.6 | -171.9 | -136.5 | -66.5 | 0 | 0 | 0 | 113.3 | Q30 S35 T36 | Q30-N32 PolarHBondContact O-N 3.01Å; N32-S35 PolarHBondContact O-OG 2.8Å; N32-T36 WeakPolarHBondContact O-CB 3.42Å; N32-T36 WeakPolarHBondContact O-CG2 3.21Å; N32-T36 PolarHBondContact O-N 2.95Å; N32-T36 VanDerWaalsContact O-N 3.13Å; N32-T36 PolarHBondContact O-OG1 3.13Å |
| 33 | N | 62.8 | Low | 61.2 | Low | 113 Ų | 113 | 118.7 Ų | 118.7 | 60% | 0.604 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.9 | -51.3 | -175.2 | -165.7 | -84.1 | 0 | 0 | 0 | 112.4 | S35 T36 Q37 | N33-S35 VanDerWaalsContact C-N 3.33Å; N33-S35 PolarHBondContact O-N 3.24Å; N33-T36 PolarHBondContact O-N 3.02Å; N33-T36 PolarHBondContact O-OG1 3.15Å; N33-Q37 VanDerWaalsContact O-CB 3.22Å; N33-Q37 WeakPolarHBondContact O-CB 3.17Å; N33-Q37 PolarHBondContact O-N 3.23Å |
| 34 | A | 64.4 | Low | 62.8 | Low | 54 Ų | 54 | 116.8 Ų | 116.8 | 45% | 0.446 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -61.7 | -39.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L38 | A34-L38 WeakPolarHBondContact O-CB 3.42Å; A34-L38 VanDerWaalsContact O-CG 3.28Å; A34-L38 WeakPolarHBondContact O-CG 3.48Å; A34-L38 PolarHBondContact O-N 2.76Å |
| 35 | S | 71.6 | Confident | 64.5 | Low | 41 Ų | 41 | 115.9 Ų | 115.9 | 29% | 0.287 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -73.6 | -33.1 | -179.3 | 60.6 | 0 | 0 | 0 | 0 | 113.5 | H31 N32 N33 K39 | H31-S35 PolarHBondContact O-OG 3.3Å; N32-S35 PolarHBondContact O-OG 2.8Å; N33-S35 VanDerWaalsContact C-N 3.33Å; N33-S35 PolarHBondContact O-N 3.24Å; S35-K39 WeakPolarHBondContact O-CD 3.37Å; S35-K39 VanDerWaalsContact O-CG 3.22Å; S35-K39 WeakPolarHBondContact O-CG 3.43Å; S35-K39 PolarHBondContact O-N 3.28Å |
| 36 | T | 74.5 | Confident | 65.6 | Low | 67 Ų | 67 | 113.2 Ų | 113.2 | 41% | 0.411 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -74 | -38.7 | 171.1 | 49.6 | 0 | 0 | 0 | 0 | 112 | N32 N33 K39 S40 | N32-T36 WeakPolarHBondContact O-CB 3.42Å; N32-T36 WeakPolarHBondContact O-CG2 3.21Å; N32-T36 PolarHBondContact O-N 2.95Å; N32-T36 VanDerWaalsContact O-N 3.13Å; N32-T36 PolarHBondContact O-OG1 3.13Å; N33-T36 PolarHBondContact O-N 3.02Å; N33-T36 PolarHBondContact O-OG1 3.15Å; T36-K39 PolarHBondContact O-N 3.35Å; T36-S40 WeakPolarHBondContact O-CB 3.27Å; T36-S40 PolarHBondContact O-N 3.03Å |
| 37 | Q | 77.3 | Confident | 66.9 | Low | 121 Ų | 121 | 109.9 Ų | 109.9 | 57% | 0.565 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.5 | -43.2 | 175.4 | -166.5 | 175.2 | 81.6 | 0 | 0 | 111.7 | N33 K39 S40 V41 | N33-Q37 VanDerWaalsContact O-CB 3.22Å; N33-Q37 WeakPolarHBondContact O-CB 3.17Å; N33-Q37 PolarHBondContact O-N 3.23Å; Q37-K39 PolarHBondContact O-N 2.95Å; Q37-S40 WeakPolarHBondContact O-CB 3.35Å; Q37-S40 PolarHBondContact O-N 3.36Å; Q37-V41 WeakPolarHBondContact O-CG2 3.42Å; Q37-V41 PolarHBondContact O-N 2.76Å |
| 38 | L | 80.7 | Confident | 67.9 | Low | 125 Ų | 125 | 109 Ų | 109 | 65% | 0.654 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.2 | -40.9 | 173.1 | -78.7 | 168.9 | 0 | 0 | 0 | 112.7 | A34 A42 | A34-L38 WeakPolarHBondContact O-CB 3.42Å; A34-L38 VanDerWaalsContact O-CG 3.28Å; A34-L38 WeakPolarHBondContact O-CG 3.48Å; A34-L38 PolarHBondContact O-N 2.76Å; L38-A42 VanDerWaalsContact O-CB 3.25Å; L38-A42 WeakPolarHBondContact O-CB 3.41Å; L38-A42 PolarHBondContact O-N 2.87Å |
| 39 | K | 79.7 | Confident | 68.3 | Low | 148 Ų | 148 | 104.1 Ų | 104.1 | 64% | 0.643 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63 | -42.6 | 174.7 | -73.7 | 166.8 | -174.5 | 175.3 | 0 | 111.7 | S35 T36 Q37 Q43 | S35-K39 WeakPolarHBondContact O-CD 3.37Å; S35-K39 VanDerWaalsContact O-CG 3.22Å; S35-K39 WeakPolarHBondContact O-CG 3.43Å; S35-K39 PolarHBondContact O-N 3.28Å; T36-K39 PolarHBondContact O-N 3.35Å; Q37-K39 PolarHBondContact O-N 2.95Å; K39-Q43 WeakPolarHBondContact O-CB 3.34Å; K39-Q43 PolarHBondContact O-N 2.84Å |
| 40 | S | 84.2 | Confident | 68.6 | Low | 68 Ų | 68 | 102.8 Ų | 102.8 | 48% | 0.476 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63 | -48.8 | 176.3 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | T36 Q37 A42 Q43 Q44 | T36-S40 WeakPolarHBondContact O-CB 3.27Å; T36-S40 PolarHBondContact O-N 3.03Å; Q37-S40 WeakPolarHBondContact O-CB 3.35Å; Q37-S40 PolarHBondContact O-N 3.36Å; S40-A42 PolarHBondContact O-N 3.1Å; S40-Q43 PolarHBondContact O-N 2.83Å; S40-Q44 WeakPolarHBondContact O-CB 2.92Å; S40-Q44 PolarHBondContact O-N 2.95Å |
| 41 | V | 81.1 | Confident | 68.8 | Low | 72 Ų | 72 | 97.4 Ų | 97.4 | 44% | 0.436 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 177.2 | 172 | 0 | 0 | 0 | 0 | 111.4 | Q37 Q43 Q44 V45 | Q37-V41 WeakPolarHBondContact O-CG2 3.42Å; Q37-V41 PolarHBondContact O-N 2.76Å; V41-Q43 VanDerWaalsContact C-N 3.33Å; V41-Q43 PolarHBondContact O-N 2.87Å; V41-Q44 PolarHBondContact O-N 3.23Å; V41-V45 HydrophobicContact CG1-CG2 4.4Å; V41-V45 WeakPolarHBondContact O-CG2 3.32Å; V41-V45 PolarHBondContact O-N 3.07Å |
| 42 | A | 78.2 | Confident | 68.7 | Low | 61 Ų | 61 | 96.4 Ų | 96.4 | 50% | 0.504 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L38 S40 V45 A46 | L38-A42 VanDerWaalsContact O-CB 3.25Å; L38-A42 WeakPolarHBondContact O-CB 3.41Å; L38-A42 PolarHBondContact O-N 2.87Å; S40-A42 PolarHBondContact O-N 3.1Å; A42-V45 PolarHBondContact O-N 3.49Å; A42-A46 WeakPolarHBondContact O-CB 3.22Å; A42-A46 PolarHBondContact O-N 2.98Å |
| 43 | Q | 80.3 | Confident | 68.5 | Low | 138 Ų | 138 | 95.7 Ų | 95.7 | 65% | 0.645 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.9 | -39.7 | 175.8 | -170.1 | 169.5 | 55.5 | 0 | 0 | 111.9 | K39 S40 V41 A46 L47 | K39-Q43 WeakPolarHBondContact O-CB 3.34Å; K39-Q43 PolarHBondContact O-N 2.84Å; S40-Q43 PolarHBondContact O-N 2.83Å; V41-Q43 VanDerWaalsContact C-N 3.33Å; V41-Q43 PolarHBondContact O-N 2.87Å; Q43-A46 PolarHBondContact O-N 2.68Å; Q43-L47 WeakPolarHBondContact O-CG 3.44Å; Q43-L47 PolarHBondContact O-N 2.95Å; Q43-L47 VanDerWaalsContact O-N 3.09Å |
| 44 | Q | 76.4 | Confident | 67.7 | Low | 124 Ų | 124 | 96.8 Ų | 96.8 | 58% | 0.579 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.2 | -40.6 | 175.9 | -172.2 | 175.3 | -0.8 | 0 | 0 | 112.3 | S40 V41 L47 Q48 | S40-Q44 WeakPolarHBondContact O-CB 2.92Å; S40-Q44 PolarHBondContact O-N 2.95Å; V41-Q44 PolarHBondContact O-N 3.23Å; Q44-L47 PolarHBondContact O-N 3.41Å; Q44-Q48 WeakPolarHBondContact O-CB 3.27Å; Q44-Q48 PolarHBondContact O-N 3.06Å |
| 45 | V | 73.6 | Confident | 66.7 | Low | 90 Ų | 90 | 98.5 Ų | 98.5 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | V41 A42 L47 Q48 S49 | V41-V45 HydrophobicContact CG1-CG2 4.4Å; V41-V45 WeakPolarHBondContact O-CG2 3.32Å; V41-V45 PolarHBondContact O-N 3.07Å; A42-V45 PolarHBondContact O-N 3.49Å; V45-L47 VanDerWaalsContact C-N 3.35Å; V45-L47 PolarHBondContact O-N 3.43Å; V45-Q48 PolarHBondContact O-N 3.1Å; V45-S49 PolarHBondContact O-N 3.22Å |
| 46 | A | 63.8 | Low | 65.4 | Low | 57 Ų | 57 | 100.7 Ų | 100.7 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.7 | -36.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | A42 Q43 S49 | A42-A46 WeakPolarHBondContact O-CB 3.22Å; A42-A46 PolarHBondContact O-N 2.98Å; Q43-A46 PolarHBondContact O-N 2.68Å; A46-S49 PolarHBondContact O-OG 3.42Å |
| 47 | L | 68.1 | Low | 63.9 | Low | 119 Ų | 119 | 106 Ų | 106 | 62% | 0.623 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -72 | -36.2 | 174.5 | -66.7 | 173.5 | 0 | 0 | 0 | 112.1 | Q43 Q44 V45 N50 | Q43-L47 WeakPolarHBondContact O-CG 3.44Å; Q43-L47 PolarHBondContact O-N 2.95Å; Q43-L47 VanDerWaalsContact O-N 3.09Å; Q44-L47 PolarHBondContact O-N 3.41Å; V45-L47 VanDerWaalsContact C-N 3.35Å; V45-L47 PolarHBondContact O-N 3.43Å; L47-N50 PolarHBondContact O-N 2.82Å |
| 48 | Q | 59.3 | Low | 62.3 | Low | 135 Ų | 135 | 106.3 Ų | 106.3 | 63% | 0.631 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.1 | -27.3 | 178.1 | -161.1 | -178.3 | 114.6 | 0 | 0 | 113.3 | Q44 V45 N50 T51 | Q44-Q48 WeakPolarHBondContact O-CB 3.27Å; Q44-Q48 PolarHBondContact O-N 3.06Å; V45-Q48 PolarHBondContact O-N 3.1Å; Q48-N50 VanDerWaalsContact C-N 3.3Å; Q48-T51 PolarHBondContact O-OG1 3.22Å |
| 49 | S | 54.5 | Low | 60.5 | Low | 60 Ų | 60 | 107 Ų | 107 | 42% | 0.42 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.2 | -31.2 | 172.3 | 72.1 | 0 | 0 | 0 | 0 | 112.1 | V45 A46 L52 I53 | V45-S49 PolarHBondContact O-N 3.22Å; A46-S49 PolarHBondContact O-OG 3.42Å; S49-L52 PolarHBondContact O-N 3.38Å; S49-I53 WeakPolarHBondContact O-CG1 3.47Å; S49-I53 PolarHBondContact O-N 2.98Å |
| 50 | N | 52.8 | Low | 58.7 | Low | 97 Ų | 97 | 104 Ų | 104 | 52% | 0.519 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -72.6 | -35.6 | -177.6 | -150.3 | -16.4 | 0 | 0 | 0 | 112.3 | L47 Q48 L52 I53 Q54 | L47-N50 PolarHBondContact O-N 2.82Å; Q48-N50 VanDerWaalsContact C-N 3.3Å; N50-L52 PolarHBondContact O-N 3.1Å; N50-I53 PolarHBondContact O-N 3.21Å; N50-Q54 WeakPolarHBondContact O-CB 3.43Å; N50-Q54 PolarHBondContact O-N 3.38Å |
| 51 | T | 53.7 | Low | 56.7 | Low | 79 Ų | 79 | 109.7 Ų | 109.7 | 49% | 0.485 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.3 | -35.1 | 173.7 | 44.3 | 0 | 0 | 0 | 0 | 112.9 | Q48 Q54 C55 | Q48-T51 PolarHBondContact O-OG1 3.22Å; T51-Q54 PolarHBondContact O-N 3.24Å; T51-C55 PolarHBondContact O-N 3.08Å; T51-C55 PolarHBondContact O-SG 3.17Å |
| 52 | L | 48.8 | Very low | 54.9 | Low | 134 Ų | 134 | 110.2 Ų | 110.2 | 70% | 0.702 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.4 | -42.5 | 173.4 | -170.8 | 72.3 | 0 | 0 | 0 | 111.7 | S49 N50 S56 | S49-L52 PolarHBondContact O-N 3.38Å; N50-L52 PolarHBondContact O-N 3.1Å; L52-S56 PolarHBondContact O-N 3.39Å |
| 53 | I | 52.1 | Low | 53.5 | Low | 107 Ų | 107 | 115 Ų | 115 | 55% | 0.549 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.6 | -33.3 | 177.4 | -64.5 | 169.4 | 0 | 0 | 0 | 111.4 | S49 N50 S56 | S49-I53 WeakPolarHBondContact O-CG1 3.47Å; S49-I53 PolarHBondContact O-N 2.98Å; N50-I53 PolarHBondContact O-N 3.21Å; I53-S56 PolarHBondContact O-N 3.49Å; I53-S56 PolarHBondContact O-OG 3.11Å |
| 54 | Q | 46.7 | Very low | 51.9 | Low | 135 Ų | 135 | 113.8 Ų | 113.8 | 63% | 0.631 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.8 | -35.8 | 178.7 | -156.1 | 165.5 | 18.4 | 0 | 0 | 112.1 | N50 T51 S56 K57 | N50-Q54 WeakPolarHBondContact O-CB 3.43Å; N50-Q54 PolarHBondContact O-N 3.38Å; T51-Q54 PolarHBondContact O-N 3.24Å; Q54-S56 VanDerWaalsContact C-N 3.33Å; Q54-S56 PolarHBondContact O-N 3.07Å; Q54-K57 PolarHBondContact O-N 3.06Å |
| 55 | C | 43.8 | Very low | 50.4 | Low | 90 Ų | 90 | 113.8 Ų | 113.8 | 61% | 0.608 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63.3 | -34.6 | 171.8 | -72.9 | 0 | 0 | 0 | 0 | 113.1 | T51 K57 V58 | T51-C55 PolarHBondContact O-N 3.08Å; T51-C55 PolarHBondContact O-SG 3.17Å; C55-K57 PolarHBondContact O-N 2.95Å; C55-V58 PolarHBondContact O-N 2.95Å |
| 56 | S | 43.1 | Very low | 49.1 | Very low | 87 Ų | 87 | 117.9 Ų | 117.9 | 61% | 0.608 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.2 | -18.4 | 177.5 | 66.1 | 0 | 0 | 0 | 0 | 113.6 | L52 I53 Q54 | L52-S56 PolarHBondContact O-N 3.39Å; I53-S56 PolarHBondContact O-N 3.49Å; I53-S56 PolarHBondContact O-OG 3.11Å; Q54-S56 VanDerWaalsContact C-N 3.33Å; Q54-S56 PolarHBondContact O-N 3.07Å |
| 57 | K | 44 | Very low | 48.2 | Very low | 178 Ų | 178 | 121.9 Ų | 121.9 | 77% | 0.774 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -13.9 | -178.8 | -145.1 | 172.7 | -172 | 176.6 | 0 | 114.2 | Q54 C55 | Q54-K57 PolarHBondContact O-N 3.06Å; C55-K57 PolarHBondContact O-N 2.95Å |
| 58 | V | 43.3 | Very low | 46.4 | Very low | 129 Ų | 129 | 123.4 Ų | 123.4 | 78% | 0.782 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -16.4 | -178.5 | 179.9 | 0 | 0 | 0 | 0 | 112.6 | C55 | C55-V58 PolarHBondContact O-N 2.95Š|
| 59 | L | 43.1 | Very low | 45.8 | Very low | 140 Ų | 140 | 123.8 Ų | 123.8 | 73% | 0.733 | 67% | 0.673 | S | S | * | * | trans | -99.7 | 21.8 | -177.5 | -109.5 | 158.7 | 0 | 0 | 0 | 114.3 | Q61 | L59-Q61 PolarHBondContact O-N 3.21Š| ||
| 60 | A | 42.9 | Very low | 44.9 | Very low | 84 Ų | 84 | 129.2 Ų | 129.2 | 69% | 0.694 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 42.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 61 | Q | 41.2 | Very low | 44.6 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 88% | 0.879 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.2 | 30.7 | 171.6 | -79.4 | -71 | 25.7 | 0 | 0 | 111.8 | L59 E63 | L59-Q61 PolarHBondContact O-N 3.21Å; Q61-E63 PolarHBondContact O-N 2.62Å |
| 62 | A | 43.3 | Very low | 43.7 | Very low | 82 Ų | 82 | 130.7 Ų | 130.7 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | trans | -85.5 | 102.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 63 | E | 48.8 | Very low | 43.3 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | trans | -49.5 | 138.2 | 165 | -152.9 | -115.8 | 121.8 | 0 | 0 | 109.5 | Q61 T65 | Q61-E63 PolarHBondContact O-N 2.62Å; E63-T65 PolarHBondContact O-N 3.07Å | ||
| 64 | P | 46.9 | Very low | 42.6 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 72% | 0.721 | 73% | 0.725 | S | S | * | * | trans | -65 | 101.3 | -169.9 | 24.8 | -34.4 | 0 | 0 | 0 | 111.9 | R66 | P64-R66 PolarHBondContact O-N 3.46Š| ||
| 65 | T | 44.8 | Very low | 42.2 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | trans | -55.5 | 107.3 | -177.8 | -52 | 0 | 0 | 0 | 0 | 111.5 | E63 I67 | E63-T65 PolarHBondContact O-N 3.07Å; T65-I67 PolarHBondContact O-N 3.14Å | ||
| 66 | R | 47 | Very low | 41.7 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | trans | -69.3 | 89.8 | 177.4 | -174.1 | -175.4 | -178.5 | 175.7 | 2.5 | 110.9 | P64 Q68 | P64-R66 PolarHBondContact O-N 3.46Å; R66-Q68 HydrophobicContact CG-CG 4.41Å; R66-Q68 PolarHBondContact O-N 3.42Å | ||
| 67 | I | 43.6 | Very low | 41.4 | Very low | 140 Ų | 140 | 144.2 Ų | 144.2 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | trans | -69.8 | 103.1 | 175.4 | -54.6 | 178.7 | 0 | 0 | 0 | 109.6 | T65 I69 | T65-I67 PolarHBondContact O-N 3.14Å; I67-I69 HydrophobicContact CG2-CG1 3.96Å | ||
| 68 | Q | 31.3 | Very low | 40.9 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 71% | 0.71 | 76% | 0.76 | S | S | * | * | trans | -90.7 | 112.2 | 168.1 | -72.2 | -173.7 | 83.1 | 0 | 0 | 109.9 | R66 Q70 | R66-Q68 HydrophobicContact CG-CG 4.41Å; R66-Q68 PolarHBondContact O-N 3.42Å; Q68-Q70 PolarHBondContact O-N 3.18Å | ||
| 69 | I | 46.8 | Very low | 40.2 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | trans | -90.8 | 97.1 | 175.8 | -55.4 | 179.2 | 0 | 0 | 0 | 108.5 | I67 V71 | I67-I69 HydrophobicContact CG2-CG1 3.96Å; I69-V71 HydrophobicContact CG2-CG2 4.44Å; I69-V71 PolarHBondContact O-N 3.29Å | ||
| 70 | Q | 35.5 | Very low | 39.4 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -74.3 | 105.9 | 173.7 | -177.8 | 63.8 | 72 | 0 | 0 | 110.1 | Q68 | Q68-Q70 PolarHBondContact O-N 3.18Š| ||
| 71 | V | 46.8 | Very low | 38.8 | Very low | 105 Ų | 105 | 144.3 Ų | 144.3 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 132.3 | 171.3 | -155.8 | 0 | 0 | 0 | 0 | 108.8 | I69 | I69-V71 HydrophobicContact CG2-CG2 4.44Å; I69-V71 PolarHBondContact O-N 3.29Å |
| 72 | P | 33.7 | Very low | 38.7 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 140.6 | 171.6 | -18.7 | 32 | 0 | 0 | 0 | 111 | K74 | P72-K74 PolarHBondContact O-N 3.39Š|
| 73 | P | 39.8 | Very low | 38.1 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 128 | 178.9 | 27.6 | -33.7 | 0 | 0 | 0 | 110.5 | ||
| 74 | K | 38.4 | Very low | 37.3 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 145 | 160.1 | -73.8 | -161.3 | 172.2 | -171.6 | 0 | 109 | P72 D76 | P72-K74 PolarHBondContact O-N 3.39Å; K74-D76 PolarHBondContact O-N 3.18Å |
| 75 | Q | 38.1 | Very low | 36.6 | Very low | 201 Ų | 201 | 149 Ų | 149 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 118.3 | -172.1 | -65.8 | 164.2 | -23.9 | 0 | 0 | 109.8 | ||
| 76 | D | 34.2 | Very low | 35.8 | Very low | 154 Ų | 154 | 152.1 Ų | 152.1 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 135.4 | 173.4 | -88.2 | -67.4 | 0 | 0 | 0 | 111.3 | K74 | K74-D76 PolarHBondContact O-N 3.18Š|
| 77 | L | 35.4 | Very low | 35 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -100 | 95 | 165 | -86 | 166 | 0 | 0 | 0 | 108.9 | ||||
| 78 | N | 34.2 | Very low | 34.4 | Very low | 138 Ų | 138 | 148.5 Ų | 148.5 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | 26.1 | 112.2 | 147.1 | -49.6 | -22.9 | 0 | 0 | 0 | 118.3 | ||||
| 79 | S | 28.7 | Very low | 34.6 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -159.2 | 130.1 | 134.6 | -84.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 80 | C | 26.6 | Very low | 34.1 | Very low | 123 Ų | 123 | 146 Ų | 146 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | trans | -101.8 | 131.3 | -177 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 81 | V | 30.5 | Very low | 34.3 | Very low | 140 Ų | 140 | 142.8 Ų | 142.8 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -146 | 120 | 156.3 | -106.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 82 | S | 38.3 | Very low | 34.1 | Very low | 105 Ų | 105 | 144 Ų | 144 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -81.4 | 126.4 | 172.4 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 83 | L | 30.9 | Very low | 34.7 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -128.6 | 129.3 | 163.8 | -79.5 | 178.9 | 0 | 0 | 0 | 110 | ||||
| 84 | Q | 31.6 | Very low | 34.9 | Very low | 185 Ų | 185 | 143 Ų | 143 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -69.5 | 138.9 | -172.3 | -64.7 | -172.7 | -16.8 | 0 | 0 | 111.8 | K86 | Q84-K86 PolarHBondContact O-N 3.14Š| ||
| 85 | Q | 32.5 | Very low | 35.4 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | -72.7 | 100 | 176.8 | -68 | 177.8 | -32.6 | 0 | 0 | 110.3 | T87 | Q85-T87 PolarHBondContact O-N 3.34Š| ||
| 86 | K | 26.9 | Very low | 35.6 | Very low | 190 Ų | 190 | 134.1 Ų | 134.1 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | trans | -81.9 | 99.8 | 169.2 | -174.2 | 151 | -175.5 | 167 | 0 | 110 | Q84 V88 | Q84-K86 PolarHBondContact O-N 3.14Å; K86-V88 PolarHBondContact O-N 3.07Å | ||
| 87 | T | 30.9 | Very low | 36 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | trans | -59 | 115.5 | 171.2 | -55.5 | 0 | 0 | 0 | 0 | 110.2 | Q85 | Q85-T87 PolarHBondContact O-N 3.34Š| ||
| 88 | V | 31.1 | Very low | 36.2 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | trans | -111.7 | 124.8 | 168.2 | 174.9 | 0 | 0 | 0 | 0 | 107.3 | K86 I90 | K86-V88 PolarHBondContact O-N 3.07Å; V88-I90 PolarHBondContact O-N 2.92Å | ||
| 89 | A | 36.3 | Very low | 36.7 | Very low | 102 Ų | 102 | 127 Ų | 127 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | trans | -67.8 | 100.1 | 174 | 0 | 0 | 0 | 0 | 0 | 109.4 | S91 | A89-S91 PolarHBondContact O-N 3Š| ||
| 90 | I | 36.6 | Very low | 37.4 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 72% | 0.723 | 73% | 0.727 | S | S | * | * | trans | -80.5 | 113.9 | 176.7 | -77.6 | 174.9 | 0 | 0 | 0 | 109.1 | V88 | V88-I90 PolarHBondContact O-N 2.92Š| ||
| 91 | S | 38.3 | Very low | 38.3 | Very low | 105 Ų | 105 | 125.6 Ų | 125.6 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | trans | -52.9 | 142.7 | 167.4 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | A89 P93 | A89-S91 PolarHBondContact O-N 3Å; S91-P93 WeakPolarHBondContact O-CD 3.43Å | ||
| 92 | H | 43.3 | Very low | 39.2 | Very low | 132 Ų | 132 | 122.6 Ų | 122.6 | 61% | 0.611 | 72% | 0.717 | S | S | * | * | trans | -42.7 | 107.4 | -176.2 | -59.7 | 109.4 | 0 | 0 | 0 | 113.4 | Q94 | H92-Q94 PolarHBondContact O-N 2.92Å; H92-Q94 VanDerWaalsContact O-N 3.13Å | ||
| 93 | P | 46.4 | Very low | 39.6 | Very low | 67 Ų | 67 | 126.5 Ų | 126.5 | 44% | 0.435 | 73% | 0.729 | S | S | . | * | trans | -81.9 | 96.2 | 175.7 | 32.2 | -30.6 | 0 | 0 | 0 | 109.5 | S91 V95 | S91-P93 WeakPolarHBondContact O-CD 3.43Å; P93-V95 HydrophobicContact CB-CG2 4.1Å; P93-V95 PolarHBondContact O-N 3.1Å | ||
| 94 | Q | 44.3 | Very low | 40.4 | Very low | 142 Ų | 142 | 122 Ų | 122 | 66% | 0.664 | 72% | 0.721 | S | S | * | * | trans | -70.2 | 82.8 | 166.9 | -71 | -169.2 | -18.6 | 0 | 0 | 109.7 | H92 K96 | H92-Q94 PolarHBondContact O-N 2.92Å; H92-Q94 VanDerWaalsContact O-N 3.13Å; Q94-K96 PolarHBondContact O-N 2.98Å | ||
| 95 | V | 47.3 | Very low | 41.2 | Very low | 67 Ų | 67 | 119.1 Ų | 119.1 | 41% | 0.406 | 71% | 0.711 | S | S | . | * | trans | -76.7 | 94.7 | -179.4 | -173.4 | 0 | 0 | 0 | 0 | 110 | P93 L97 | P93-V95 HydrophobicContact CB-CG2 4.1Å; P93-V95 PolarHBondContact O-N 3.1Å; V95-L97 HydrophobicContact CG1-CD2 3.78Å; V95-L97 HydrophobicContact CG1-CG 4.11Å; V95-L97 PolarHBondContact O-N 3.1Å | ||
| 96 | K | 43.5 | Very low | 42.2 | Very low | 139 Ų | 139 | 113.9 Ų | 113.9 | 60% | 0.604 | 70% | 0.701 | S | S | * | * | trans | -72.5 | 90.9 | 175.5 | -168.5 | 173.4 | -175.4 | 175.2 | 0 | 110.9 | Q94 S98 | Q94-K96 PolarHBondContact O-N 2.98Å; K96-S98 PolarHBondContact O-N 2.96Å | ||
| 97 | L | 42.3 | Very low | 43.8 | Very low | 118 Ų | 118 | 109.5 Ų | 109.5 | 62% | 0.618 | 68% | 0.683 | S | S | * | * | trans | -77.9 | 94.5 | 174.3 | -63.4 | 179.2 | 0 | 0 | 0 | 110.7 | V95 A99 | V95-L97 HydrophobicContact CG1-CD2 3.78Å; V95-L97 HydrophobicContact CG1-CG 4.11Å; V95-L97 PolarHBondContact O-N 3.1Å; L97-A99 PolarHBondContact O-N 2.95Å | ||
| 98 | S | 39.7 | Very low | 45.5 | Very low | 97 Ų | 97 | 108 Ų | 108 | 68% | 0.678 | 67% | 0.669 | S | S | * | * | trans | -80.4 | 103.1 | 175 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | K96 S100 | K96-S98 PolarHBondContact O-N 2.96Å; S98-S100 PolarHBondContact O-N 3.4Å | ||
| 99 | A | 44.7 | Very low | 47.4 | Very low | 90 Ų | 90 | 104.7 Ų | 104.7 | 74% | 0.744 | 65% | 0.647 | S | S | * | * | trans | -78.6 | 108.5 | 167 | 0 | 0 | 0 | 0 | 0 | 110 | L97 S101 | L97-A99 PolarHBondContact O-N 2.95Å; A99-S101 VanDerWaalsContact C-N 3.34Å; A99-S101 PolarHBondContact O-N 2.87Å; A99-S101 VanDerWaalsContact O-N 3.07Å | ||
| 100 | S | 43.5 | Very low | 49.2 | Very low | 128 Ų | 128 | 103 Ų | 103 | 90% | 0.895 | 62% | 0.621 | S | S | * | * | trans | -83.5 | 75.1 | 178 | 62.3 | 0 | 0 | 0 | 0 | 111.7 | S98 | S98-S100 PolarHBondContact O-N 3.4Š| ||
| 101 | S | 44.5 | Very low | 51.1 | Low | 97 Ų | 97 | 98.2 Ų | 98.2 | 68% | 0.678 | 60% | 0.597 | S | S | * | * | trans | -123.5 | 128.2 | 161.9 | 50.6 | 0 | 0 | 0 | 0 | 107.9 | A99 | A99-S101 VanDerWaalsContact C-N 3.34Å; A99-S101 PolarHBondContact O-N 2.87Å; A99-S101 VanDerWaalsContact O-N 3.07Å | ||
| 102 | G | 49.9 | Very low | 52.9 | Low | 76 Ų | 76 | 97 Ų | 97 | 78% | 0.784 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -62.8 | 154.3 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 103 | L | 47.3 | Very low | 54.3 | Low | 188 Ų | 188 | 94.9 Ų | 94.9 | 98% | 0.984 | 58% | 0.58 | S | S | * | * | S | Bend | trans | 67.2 | 84.1 | 174.5 | -62.8 | 154.6 | 0 | 0 | 0 | 115.1 | ||
| 104 | G | 46.7 | Very low | 55.6 | Low | 66 Ų | 66 | 94.6 Ų | 94.6 | 68% | 0.68 | 58% | 0.577 | S | S | * | * | S | Bend | trans | 161.8 | 140.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 105 | N | 49.8 | Very low | 56.9 | Low | 126 Ų | 126 | 93.7 Ų | 93.7 | 67% | 0.674 | 58% | 0.581 | S | S | * | * | trans | -28.6 | 130.1 | 169.1 | 56.1 | -32.3 | 0 | 0 | 0 | 116.9 | Q107 | N105-Q107 PolarHBondContact O-N 3.07Š| ||
| 106 | A | 53.6 | Low | 57.6 | Low | 80 Ų | 80 | 91.5 Ų | 91.5 | 66% | 0.661 | 57% | 0.572 | S | S | * | * | trans | -71.2 | 98 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 107 | Q | 60.9 | Low | 58.3 | Low | 97 Ų | 97 | 94.7 Ų | 94.7 | 45% | 0.453 | 59% | 0.589 | S | S | . | * | trans | -73.2 | 127.7 | 177.8 | -62.6 | -175.7 | 57.6 | 0 | 0 | 110.7 | N105 | N105-Q107 PolarHBondContact O-N 3.07Š| ||
| 108 | I | 65.1 | Low | 59 | Low | 106 Ų | 106 | 97.8 Ų | 97.8 | 54% | 0.544 | 60% | 0.6 | S | S | . | * | trans | -95.8 | 103.8 | 179.8 | -58.9 | 175.2 | 0 | 0 | 0 | 108.1 | H110 | I108-H110 PolarHBondContact O-N 3.32Š| ||
| 109 | I | 71.6 | Confident | 60.2 | Low | 34 Ų | 34 | 94 Ų | 94 | 17% | 0.174 | 58% | 0.577 | C | S | . | * | trans | -78.8 | 121.6 | 173.9 | -50.4 | 179.1 | 0 | 0 | 0 | 108.4 | L111 L124 Q126 | I109-L111 HydrophobicContact CB-CD1 4.22Å; I109-L111 HydrophobicContact CG2-CD1 3.84Å; I109-L124 HydrophobicContact CG2-CD2 4.35Å; I109-L124 HydrophobicContact CG2-CG 4.02Å; I109-Q126 HydrophobicContact CD1-CG 4.49Å; I109-Q126 HydrophobicContact CG1-CG 4.27Å; I109-Q126 HydrophobicContact CG2-CG 4.21Å | ||
| 110 | H | 73.7 | Confident | 61.5 | Low | 66 Ų | 66 | 95.1 Ų | 95.1 | 31% | 0.306 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 121.8 | 171.8 | -174.2 | -108.9 | 0 | 0 | 0 | 109.4 | I108 Q125 | I108-H110 PolarHBondContact O-N 3.32Å; H110-Q125 HydrophobicContact CB-CB 4.36Å; H110-Q125 PolarHBondContact N-O 3.19Å; H110-Q125 PolarHBondContact O-N 3.13Å |
| 111 | L | 77.6 | Confident | 63.1 | Low | 41 Ų | 41 | 90.9 Ų | 90.9 | 22% | 0.215 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120.1 | 176.7 | -72.4 | 83.4 | 0 | 0 | 0 | 109.1 | I109 I122 L123 L124 | I109-L111 HydrophobicContact CB-CD1 4.22Å; I109-L111 HydrophobicContact CG2-CD1 3.84Å; L111-I122 HydrophobicContact CD2-CG2 4.33Å; L111-L123 WeakPolarHBondContact CA-O 3.28Å; L111-L124 HydrophobicContact CD2-CD1 3.97Å; L111-L124 HydrophobicContact CG-CD1 3.81Å; L111-L124 HydrophobicContact CG-CG 4.19Å |
| 112 | Q | 76.4 | Confident | 64.7 | Low | 80 Ų | 80 | 89.8 Ų | 89.8 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 117.7 | 173.7 | -166.1 | 163.1 | 49.8 | 0 | 0 | 109.9 | V114 L123 | Q112-V114 HydrophobicContact CG-CG2 4.39Å; Q112-L123 HydrophobicContact CB-CB 4.32Å; Q112-L123 PolarHBondContact N-O 3Å; Q112-L123 WeakPolarHBondContact O-CB 3.34Å; Q112-L123 PolarHBondContact O-N 2.85Å |
| 113 | S | 71.8 | Confident | 66.1 | Low | 87 Ų | 87 | 87.6 Ų | 87.6 | 61% | 0.608 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 127 | 173.2 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | ||
| 114 | V | 73.5 | Confident | 67.8 | Low | 62 Ų | 62 | 80.3 Ų | 80.3 | 38% | 0.376 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 121.8 | 179 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | Q112 G116 Q121 | Q112-V114 HydrophobicContact CG-CG2 4.39Å; V114-G116 PolarHBondContact O-N 3.06Å; V114-Q121 PolarHBondContact N-O 2.86Å; V114-Q121 WeakPolarHBondContact O-CA 3.33Å; V114-Q121 WeakPolarHBondContact O-CB 3.22Å; V114-Q121 PolarHBondContact O-N 2.9Å; V114-Q121 VanDerWaalsContact O-O 3.14Å |
| 115 | V | 70.7 | Confident | 69.3 | Low | 122 Ų | 122 | 79.7 Ų | 79.7 | 74% | 0.739 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 112.6 | 174.3 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | ||
| 116 | G | 62.3 | Low | 70.3 | Confident | 21 Ų | 21 | 77.4 Ų | 77.4 | 22% | 0.216 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 159.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | V114 Q118 G119 | V114-G116 PolarHBondContact O-N 3.06Å; G116-Q118 PolarHBondContact O-N 2.87Å; G116-G119 PolarHBondContact N-O 2.86Å; G116-G119 PolarHBondContact O-N 3.41Å; G116-G119 VanDerWaalsContact O-N 3.1Å |
| 117 | Q | 58.3 | Low | 71.2 | Confident | 207 Ų | 207 | 76.3 Ų | 76.3 | 97% | 0.967 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -18.3 | 176.5 | -67.1 | -86.3 | 78.8 | 0 | 0 | 114.1 | ||
| 118 | Q | 57.9 | Low | 71.6 | Confident | 183 Ų | 183 | 78.3 Ų | 78.3 | 86% | 0.855 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | 3.2 | -177.8 | -65 | -172.8 | -14.7 | 0 | 0 | 114.3 | G116 | G116-Q118 PolarHBondContact O-N 2.87Š|
| 119 | G | 65.3 | Low | 71.6 | Confident | 18 Ų | 18 | 77.2 Ų | 77.2 | 19% | 0.186 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151 | -179.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G116 | G116-G119 PolarHBondContact N-O 2.86Å; G116-G119 PolarHBondContact O-N 3.41Å; G116-G119 VanDerWaalsContact O-N 3.1Å |
| 120 | Q | 71.8 | Confident | 71.6 | Confident | 113 Ų | 113 | 80.5 Ų | 80.5 | 53% | 0.528 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 128.5 | 174.2 | -60.2 | -168.5 | 108.3 | 0 | 0 | 109.7 | L137 | Q120-L137 PolarHBondContact O-N 2.88Å; Q120-L137 VanDerWaalsContact O-N 3.1Å |
| 121 | Q | 76.6 | Confident | 71.5 | Confident | 39 Ų | 39 | 83 Ų | 83 | 18% | 0.182 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 141.5 | 180 | -50.4 | -170.3 | 91.7 | 0 | 0 | 110.2 | V114 L135 V136 | V114-Q121 PolarHBondContact N-O 2.86Å; V114-Q121 WeakPolarHBondContact O-CA 3.33Å; V114-Q121 WeakPolarHBondContact O-CB 3.22Å; V114-Q121 PolarHBondContact O-N 2.9Å; V114-Q121 VanDerWaalsContact O-O 3.14Å; Q121-L135 CarbonylContact C-O 3.56Å; Q121-L135 VanDerWaalsContact CA-O 3.27Å; Q121-L135 WeakPolarHBondContact CA-O 3.49Å; Q121-V136 HydrophobicContact CG-CG1 4.32Å; Q121-V136 HydrophobicContact CG-CG2 4.39Å; Q121-V136 VanDerWaalsContact OE1-CG2 3.29Å |
| 122 | I | 78.6 | Confident | 71.5 | Confident | 74 Ų | 74 | 86.4 Ų | 86.4 | 38% | 0.379 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 124.4 | 177.8 | -51 | 176.3 | 0 | 0 | 0 | 108.2 | L111 L124 L135 | L111-I122 HydrophobicContact CD2-CG2 4.33Å; I122-L124 HydrophobicContact CG2-CD1 3.69Å; I122-L135 HydrophobicContact CB-CB 4.37Å; I122-L135 PolarHBondContact N-O 3.42Å; I122-L135 PolarHBondContact O-N 2.87Å |
| 123 | L | 79.1 | Confident | 71.6 | Confident | 29 Ų | 29 | 86.5 Ų | 86.5 | 15% | 0.152 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 119 | 179.6 | -163.7 | 67.6 | 0 | 0 | 0 | 109.1 | L111 Q112 Q132 I133 Q134 | L111-L123 WeakPolarHBondContact CA-O 3.28Å; Q112-L123 HydrophobicContact CB-CB 4.32Å; Q112-L123 PolarHBondContact N-O 3Å; Q112-L123 WeakPolarHBondContact O-CB 3.34Å; Q112-L123 PolarHBondContact O-N 2.85Å; L123-Q132 HydrophobicContact CD1-CB 3.88Å; L123-Q132 HydrophobicContact CD1-CG 3.81Å; L123-Q132 HydrophobicContact CG-CB 4.2Å; L123-I133 WeakPolarHBondContact CA-O 3.25Å; L123-Q134 HydrophobicContact CD1-CB 4.11Å |
| 124 | L | 81.7 | Confident | 72 | Confident | 35 Ų | 35 | 87.8 Ų | 87.8 | 18% | 0.183 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 120.1 | 177.1 | -97.2 | 65.8 | 0 | 0 | 0 | 110 | I109 L111 I122 I133 L135 | I109-L124 HydrophobicContact CG2-CD2 4.35Å; I109-L124 HydrophobicContact CG2-CG 4.02Å; L111-L124 HydrophobicContact CD2-CD1 3.97Å; L111-L124 HydrophobicContact CG-CD1 3.81Å; L111-L124 HydrophobicContact CG-CG 4.19Å; I122-L124 HydrophobicContact CG2-CD1 3.69Å; L124-I133 HydrophobicContact CB-CB 4.25Å; L124-I133 PolarHBondContact N-O 3.42Å; L124-I133 PolarHBondContact O-N 2.87Å; L124-L135 HydrophobicContact CD1-CD1 4.22Å |
| 125 | Q | 80.1 | Confident | 72.2 | Confident | 53 Ų | 53 | 89.1 Ų | 89.1 | 25% | 0.248 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 116.2 | 170.1 | -169.3 | 69.5 | 57.8 | 0 | 0 | 108.8 | H110 N127 E130 | H110-Q125 HydrophobicContact CB-CB 4.36Å; H110-Q125 PolarHBondContact N-O 3.19Å; H110-Q125 PolarHBondContact O-N 3.13Å; Q125-N127 PolarHBondContact NE2-O 3.04Å; Q125-E130 PolarHBondContact NE2-O 3.48Å |
| 126 | Q | 70.1 | Confident | 72.6 | Confident | 79 Ų | 79 | 86.5 Ų | 86.5 | 37% | 0.369 | 47% | 0.473 | S | S | . | . | trans | -93.2 | -40.3 | -177.9 | -65.6 | -174.3 | -22.4 | 0 | 0 | 112.5 | I109 | I109-Q126 HydrophobicContact CD1-CG 4.49Å; I109-Q126 HydrophobicContact CG1-CG 4.27Å; I109-Q126 HydrophobicContact CG2-CG 4.21Å | ||
| 127 | N | 72.9 | Confident | 73.1 | Confident | 57 Ų | 57 | 90.4 Ų | 90.4 | 31% | 0.305 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -138.3 | 145.3 | 178.4 | -67.5 | -71.3 | 0 | 0 | 0 | 111.2 | Q125 G129 E130 | Q125-N127 PolarHBondContact NE2-O 3.04Å; N127-G129 PolarHBondContact O-N 3.49Å; N127-G129 VanDerWaalsContact O-N 3.09Å; N127-E130 HydrophobicContact CB-CG 4.28Å; N127-E130 PolarHBondContact ND2-OE2 2.91Å; N127-E130 PolarHBondContact O-N 2.88Å |
| 128 | P | 67.8 | Low | 73.5 | Confident | 139 Ų | 139 | 87.5 Ų | 87.5 | 90% | 0.903 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 105.3 | 170.5 | -14.4 | 29.4 | 0 | 0 | 0 | 110 | ||
| 129 | G | 66.3 | Low | 73.5 | Confident | 82 Ų | 82 | 84 Ų | 84 | 85% | 0.845 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123.9 | -10.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | N127 | N127-G129 PolarHBondContact O-N 3.49Å; N127-G129 VanDerWaalsContact O-N 3.09Å |
| 130 | E | 70.3 | Confident | 72.9 | Confident | 103 Ų | 103 | 88 Ų | 88 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -94.2 | 152.9 | 172.1 | -74.7 | -161.8 | 128.3 | 0 | 0 | 112.6 | Q125 N127 Q132 | Q125-E130 PolarHBondContact NE2-O 3.48Å; N127-E130 HydrophobicContact CB-CG 4.28Å; N127-E130 PolarHBondContact ND2-OE2 2.91Å; N127-E130 PolarHBondContact O-N 2.88Å; E130-Q132 PolarHBondContact O-N 2.94Å |
| 131 | P | 72.3 | Confident | 71.9 | Confident | 118 Ų | 118 | 88.8 Ų | 88.8 | 77% | 0.766 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 129.5 | 176.8 | 26.7 | -34.5 | 0 | 0 | 0 | 111.6 | ||
| 132 | Q | 77 | Confident | 70.5 | Confident | 113 Ų | 113 | 92.2 Ų | 92.2 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 137.8 | 176.9 | 63 | -168.1 | 7.3 | 0 | 0 | 112.7 | L123 E130 | L123-Q132 HydrophobicContact CD1-CB 3.88Å; L123-Q132 HydrophobicContact CD1-CG 3.81Å; L123-Q132 HydrophobicContact CG-CB 4.2Å; E130-Q132 PolarHBondContact O-N 2.94Å |
| 133 | I | 80.1 | Confident | 68.7 | Low | 83 Ų | 83 | 95.4 Ų | 95.4 | 43% | 0.426 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.9 | 121.4 | 177.4 | -58.5 | 173.7 | 0 | 0 | 0 | 109.3 | L123 L124 | L123-I133 WeakPolarHBondContact CA-O 3.25Å; L124-I133 HydrophobicContact CB-CB 4.25Å; L124-I133 PolarHBondContact N-O 3.42Å; L124-I133 PolarHBondContact O-N 2.87Å |
| 134 | Q | 78.5 | Confident | 67 | Low | 113 Ų | 113 | 100.4 Ų | 100.4 | 53% | 0.528 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.4 | 114.2 | 179.9 | -176.4 | 174.1 | -12.7 | 0 | 0 | 111.1 | L123 V136 | L123-Q134 HydrophobicContact CD1-CB 4.11Å; Q134-V136 HydrophobicContact CG-CG2 4.28Å |
| 135 | L | 79.2 | Confident | 65.1 | Low | 90 Ų | 90 | 101.6 Ų | 101.6 | 47% | 0.471 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.1 | 118.3 | 176.2 | -64.9 | 168.4 | 0 | 0 | 0 | 109.6 | Q121 I122 L124 | Q121-L135 CarbonylContact C-O 3.56Å; Q121-L135 VanDerWaalsContact CA-O 3.27Å; Q121-L135 WeakPolarHBondContact CA-O 3.49Å; I122-L135 HydrophobicContact CB-CB 4.37Å; I122-L135 PolarHBondContact N-O 3.42Å; I122-L135 PolarHBondContact O-N 2.87Å; L124-L135 HydrophobicContact CD1-CD1 4.22Å |
| 136 | V | 78.3 | Confident | 63.4 | Low | 67 Ų | 67 | 104 Ų | 104 | 41% | 0.406 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.2 | 114 | 179.5 | -171.3 | 0 | 0 | 0 | 0 | 109.8 | Q121 Q134 Q138 | Q121-V136 HydrophobicContact CG-CG1 4.32Å; Q121-V136 HydrophobicContact CG-CG2 4.39Å; Q121-V136 VanDerWaalsContact OE1-CG2 3.29Å; Q134-V136 HydrophobicContact CG-CG2 4.28Å; V136-Q138 PolarHBondContact O-N 3.03Å |
| 137 | L | 72.8 | Confident | 62.1 | Low | 103 Ų | 103 | 108.2 Ų | 108.2 | 54% | 0.539 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.8 | 92.9 | 175.2 | -171.2 | 64.6 | 0 | 0 | 0 | 109.8 | Q120 N139 | Q120-L137 PolarHBondContact O-N 2.88Å; Q120-L137 VanDerWaalsContact O-N 3.1Å; L137-N139 PolarHBondContact O-N 3.37Å; L137-N139 VanDerWaalsContact O-N 3.14Å |
| 138 | Q | 66.6 | Low | 60.6 | Low | 147 Ų | 147 | 112.7 Ų | 112.7 | 69% | 0.687 | 68% | 0.676 | S | S | * | * | trans | -71.5 | 101.7 | 171.5 | -95.8 | 172.5 | 90.7 | 0 | 0 | 110 | V136 | V136-Q138 PolarHBondContact O-N 3.03Š| ||
| 139 | N | 58.5 | Low | 59.3 | Low | 108 Ų | 108 | 111.6 Ų | 111.6 | 58% | 0.578 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 131.2 | 166.9 | -60.8 | -15.4 | 0 | 0 | 0 | 108.5 | L137 T141 | L137-N139 PolarHBondContact O-N 3.37Å; L137-N139 VanDerWaalsContact O-N 3.14Å; N139-T141 PolarHBondContact O-N 3.36Å; N139-T141 VanDerWaalsContact O-N 3.14Å |
| 140 | A | 51.6 | Low | 58 | Low | 102 Ų | 102 | 114.7 Ų | 114.7 | 84% | 0.843 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 117 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 141 | T | 51.4 | Low | 56.4 | Low | 131 Ų | 131 | 116.1 Ų | 116.1 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 126.7 | 173.7 | 28.1 | 0 | 0 | 0 | 0 | 109.6 | N139 V143 | N139-T141 PolarHBondContact O-N 3.36Å; N139-T141 VanDerWaalsContact O-N 3.14Å; T141-V143 PolarHBondContact O-N 2.89Å |
| 142 | P | 47.3 | Very low | 54.6 | Low | 111 Ų | 111 | 118.7 Ų | 118.7 | 72% | 0.721 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 122.6 | 171.8 | 27.3 | -32.4 | 0 | 0 | 0 | 108.5 | V144 | P142-V144 PolarHBondContact O-N 2.88Å; P142-V144 VanDerWaalsContact O-N 3.08Å |
| 143 | V | 40.2 | Very low | 52.6 | Low | 140 Ų | 140 | 122.4 Ų | 122.4 | 85% | 0.848 | 70% | 0.696 | S | S | * | * | trans | -69.6 | 108.6 | 172.8 | 72.3 | 0 | 0 | 0 | 0 | 107.9 | T141 G145 | T141-V143 PolarHBondContact O-N 2.89Å; V143-G145 VanDerWaalsContact C-N 3.31Å; V143-G145 PolarHBondContact O-N 2.99Å | ||
| 144 | V | 44.6 | Very low | 50.3 | Low | 135 Ų | 135 | 125.2 Ų | 125.2 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -73.5 | 93.1 | 174.2 | 179.5 | 0 | 0 | 0 | 0 | 107.1 | P142 S146 | P142-V144 PolarHBondContact O-N 2.88Å; P142-V144 VanDerWaalsContact O-N 3.08Å; V144-S146 PolarHBondContact O-N 3.25Å | ||
| 145 | G | 42.3 | Very low | 48.1 | Very low | 59 Ų | 59 | 126.3 Ų | 126.3 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | trans | -62.3 | 107.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V143 L147 | V143-G145 VanDerWaalsContact C-N 3.31Å; V143-G145 PolarHBondContact O-N 2.99Å; G145-L147 PolarHBondContact O-N 3.47Å | ||
| 146 | S | 42.4 | Very low | 45.8 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | trans | -63.7 | 117.1 | 174.4 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | V144 | V144-S146 PolarHBondContact O-N 3.25Š| ||
| 147 | L | 44.1 | Very low | 44.2 | Very low | 168 Ų | 168 | 128.2 Ų | 128.2 | 88% | 0.88 | 76% | 0.763 | S | S | * | * | trans | -81.4 | 114.7 | 173.5 | -66.7 | 176 | 0 | 0 | 0 | 109.3 | G145 | G145-L147 PolarHBondContact O-N 3.47Š| ||
| 148 | L | 41 | Very low | 42.1 | Very low | 151 Ų | 151 | 127.5 Ų | 127.5 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -106.6 | 138.8 | 163.5 | -65.4 | -180 | 0 | 0 | 0 | 109.4 | ||||
| 149 | P | 40.3 | Very low | 40.5 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -81.4 | 151.1 | -164 | 31 | -35.9 | 0 | 0 | 0 | 114.8 | ||||
| 150 | L | 39.8 | Very low | 39.4 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -53.9 | 133.4 | 171.8 | 178.5 | 67.5 | 0 | 0 | 0 | 113 | ||||
| 151 | V | 35.5 | Very low | 38.5 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -119.5 | 136.7 | 161.1 | -69.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 152 | H | 36.2 | Very low | 37.6 | Very low | 171 Ų | 171 | 129.7 Ų | 129.7 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -75.5 | 156.4 | -172.4 | -61.3 | 82.4 | 0 | 0 | 0 | 112.9 | ||||
| 153 | K | 33.3 | Very low | 37.1 | Very low | 191 Ų | 191 | 129.2 Ų | 129.2 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | 159.9 | 131.6 | 124.9 | -179.8 | 171.8 | -176.7 | 179.1 | 0 | 111.9 | |||||
| 154 | V | 33.5 | Very low | 36.6 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -178.2 | 152.3 | 130.4 | 146.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 155 | T | 31.4 | Very low | 36.1 | Very low | 136 Ų | 136 | 126.5 Ų | 126.5 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -116.5 | 145.1 | -162.2 | -57 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 156 | G | 31.7 | Very low | 35.6 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | 163.5 | 147.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 157 | P | 43.3 | Very low | 35.1 | Very low | 130 Ų | 130 | 131.4 Ų | 131.4 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | trans | -127.7 | 167.5 | -134.9 | 40.4 | -26.7 | 0 | 0 | 0 | 118.3 | ||||
| 158 | A | 29.1 | Very low | 34.3 | Very low | 89 Ų | 89 | 126.5 Ų | 126.5 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | 66.7 | 123 | 150.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 159 | T | 33 | Very low | 34 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | -177.8 | 152.9 | 94.8 | -69.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 160 | I | 35.5 | Very low | 33.6 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | trans | -89.3 | 143.3 | -173.5 | -61.7 | 162.2 | 0 | 0 | 0 | 111.2 | ||||
| 161 | A | 33.6 | Very low | 33.6 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -173 | 132.9 | 138.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 162 | T | 31.2 | Very low | 33.6 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | -86.4 | 143.8 | 171.3 | -42.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 163 | A | 36.2 | Very low | 34.2 | Very low | 101 Ų | 101 | 125.6 Ų | 125.6 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -162.9 | 140 | 148.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 164 | S | 31.2 | Very low | 34.8 | Very low | 104 Ų | 104 | 122.3 Ų | 122.3 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -105.3 | 172.3 | 177.5 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 165 | S | 32.8 | Very low | 34.8 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 73.9 | 158.5 | 154.7 | 84.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 166 | S | 32.3 | Very low | 35.1 | Very low | 89 Ų | 89 | 120.5 Ų | 120.5 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | cis | -174.2 | 167.4 | -29.1 | 56.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 167 | L | 32.5 | Very low | 35.3 | Very low | 175 Ų | 175 | 128 Ų | 128 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | trans | 67.2 | 147.3 | 168.4 | -49.1 | 164.4 | 0 | 0 | 0 | 114.8 | ||||
| 168 | G | 27.9 | Very low | 34.7 | Very low | 65 Ų | 65 | 129.6 Ų | 129.6 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | cis | 170.2 | 176.3 | -5.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 169 | Q | 33.9 | Very low | 34.9 | Very low | 198 Ų | 198 | 130.4 Ų | 130.4 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | 88.2 | 103.8 | 165.8 | -48.3 | -152.1 | 19.9 | 0 | 0 | 120.8 | ||||
| 170 | K | 31.4 | Very low | 35.2 | Very low | 192 Ų | 192 | 128.7 Ų | 128.7 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -68.4 | 172.6 | 138.9 | -137.9 | -173.1 | 168.5 | -179 | 0 | 108.1 | ||||
| 171 | P | 39.7 | Very low | 35.3 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | cis | -151.2 | 175 | 11.9 | 44.3 | -23.5 | 0 | 0 | 0 | 120.6 | ||||
| 172 | A | 35.9 | Very low | 35.7 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 81.5 | 156.7 | 140.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 173 | P | 48.9 | Very low | 36.3 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | trans | -125 | 178 | -166.2 | 44.3 | -30.1 | 0 | 0 | 0 | 115.9 | ||||
| 174 | P | 44.9 | Very low | 36.4 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -113.2 | 149.2 | 153.3 | 36.5 | -26.3 | 0 | 0 | 0 | 111.5 | ||||
| 175 | T | 34.8 | Very low | 36.5 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | cis | 97.6 | 89.8 | 20.7 | -57.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 176 | V | 38.2 | Very low | 36.6 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | trans | 55.6 | 136.3 | 135.2 | -171.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 177 | R | 34.8 | Very low | 37.2 | Very low | 225 Ų | 225 | 134.3 Ų | 134.3 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | trans | 152.2 | 113.7 | 131 | -73.8 | -68.4 | 171.9 | 173.1 | -0.1 | 108.5 | ||||
| 178 | L | 31.6 | Very low | 37.8 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | 76 | 114.1 | 75.5 | -140.5 | 89.5 | 0 | 0 | 0 | 116.2 | |||||
| 179 | A | 33.4 | Very low | 38.7 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | trans | -165.9 | 148.8 | 152 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 180 | A | 38.4 | Very low | 39.6 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | -132.5 | 156.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 181 | A | 38.1 | Very low | 40 | Very low | 100 Ų | 100 | 127 Ų | 127 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | -155.3 | 133.5 | 168 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 182 | T | 40.5 | Very low | 40.4 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -136.5 | 149.6 | 163.2 | 50.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 183 | P | 45 | Very low | 41.3 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | trans | -136.5 | 178.4 | 130.7 | 18 | 4 | 0 | 0 | 0 | 114.2 | ||||
| 184 | V | 38.6 | Very low | 41.4 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 76% | 0.758 | 80% | 0.798 | S | S | * | * | trans | -108.4 | 155 | -160.1 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 185 | K | 33.3 | Very low | 41.9 | Very low | 182 Ų | 182 | 132.5 Ų | 132.5 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | 174.6 | 130.9 | 78.3 | -164.3 | 163.1 | -175.3 | 172.8 | 0 | 116.1 | |||||
| 186 | D | 34 | Very low | 42.8 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 68% | 0.679 | 80% | 0.796 | S | S | * | * | trans | 28.9 | 164 | 145.9 | -51.9 | -41.8 | 0 | 0 | 0 | 124.7 | ||||
| 187 | P | 45.5 | Very low | 43.9 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | cis | -128.6 | 178.3 | -6.8 | 39.3 | -22.1 | 0 | 0 | 0 | 115.5 | ||||
| 188 | P | 45.3 | Very low | 45.1 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -107.2 | 152.7 | -177.6 | 38.7 | -32.5 | 0 | 0 | 0 | 116.3 | ||||
| 189 | P | 46.7 | Very low | 46.4 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -91.5 | 151.8 | 162.9 | 35.1 | -32.1 | 0 | 0 | 0 | 112.9 | ||||
| 190 | P | 52.3 | Low | 47.5 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | trans | -98.3 | 123.8 | -174.3 | 35.4 | -31.5 | 0 | 0 | 0 | 113.9 | ||||
| 191 | S | 40.2 | Very low | 48.6 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -152.7 | 130.8 | 159.1 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 192 | S | 48.5 | Very low | 50 | Low | 111 Ų | 111 | 125.3 Ų | 125.3 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | 3.9 | 112.7 | 161.7 | 43.5 | 0 | 0 | 0 | 0 | 118.6 | P194 | S192-P194 WeakPolarHBondContact O-CD 3.33Š| ||
| 193 | K | 53.8 | Low | 51 | Low | 200 Ų | 200 | 131.8 Ų | 131.8 | 87% | 0.87 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 125 | 156.4 | -62 | 170.1 | -176.7 | 170.7 | 0 | 108.3 | ||
| 194 | P | 52.4 | Low | 51.8 | Low | 113 Ų | 113 | 129.5 Ų | 129.5 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 138.2 | 166.4 | 27.1 | -32.6 | 0 | 0 | 0 | 108.6 | S192 A196 | S192-P194 WeakPolarHBondContact O-CD 3.33Å; P194-A196 PolarHBondContact O-N 3.25Å |
| 195 | P | 53.5 | Low | 52.8 | Low | 124 Ų | 124 | 125.3 Ų | 125.3 | 81% | 0.805 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 130.5 | 173.4 | 25.1 | -32.8 | 0 | 0 | 0 | 108.4 | A197 | P195-A197 PolarHBondContact O-N 2.9Š|
| 196 | A | 54.5 | Low | 54.8 | Low | 85 Ų | 85 | 126 Ų | 126 | 70% | 0.702 | 72% | 0.719 | S | S | * | * | trans | -60.1 | 111.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | P194 L198 | P194-A196 PolarHBondContact O-N 3.25Å; A196-L198 PolarHBondContact O-N 3.44Å | ||
| 197 | A | 61 | Low | 56.2 | Low | 86 Ų | 86 | 123.1 Ų | 123.1 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | trans | -47 | 125.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | P195 K199 | P195-A197 PolarHBondContact O-N 2.9Å; A197-K199 PolarHBondContact O-N 3.27Å | ||
| 198 | L | 59.8 | Low | 57 | Low | 163 Ų | 163 | 121.5 Ų | 121.5 | 85% | 0.853 | 70% | 0.697 | S | S | * | * | trans | -56.3 | 107.1 | -175.4 | -67.8 | 174.3 | 0 | 0 | 0 | 108.8 | A196 V200 | A196-L198 PolarHBondContact O-N 3.44Å; L198-V200 VanDerWaalsContact C-N 3.29Å; L198-V200 PolarHBondContact O-N 3.46Å | ||
| 199 | K | 59.5 | Low | 58.1 | Low | 166 Ų | 166 | 126 Ų | 126 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | trans | -70.2 | 91.9 | 178.6 | -69.6 | 157.9 | -173.5 | 165.4 | 0 | 106.7 | A197 Q201 | A197-K199 PolarHBondContact O-N 3.27Å; K199-Q201 PolarHBondContact O-N 2.96Å | ||
| 200 | V | 56.9 | Low | 59.2 | Low | 110 Ų | 110 | 122.9 Ų | 122.9 | 67% | 0.667 | 68% | 0.679 | S | S | * | * | trans | -63.1 | 87.2 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | L198 | L198-V200 VanDerWaalsContact C-N 3.29Å; L198-V200 PolarHBondContact O-N 3.46Å | ||
| 201 | Q | 60.4 | Low | 60.4 | Low | 118 Ų | 118 | 120.2 Ų | 120.2 | 55% | 0.551 | 66% | 0.662 | S | S | * | * | B | Isolated β-bridge | trans | -80.6 | 132.8 | 166.9 | -75.2 | 177.3 | -56.3 | 0 | 0 | 107.3 | K199 G205 V207 | K199-Q201 PolarHBondContact O-N 2.96Å; Q201-G205 PolarHBondContact NE2-O 3.47Å; Q201-V207 HydrophobicContact CG-CG2 4.05Å |
| 202 | T | 67.3 | Low | 61.5 | Low | 60 Ų | 60 | 124.4 Ų | 124.4 | 37% | 0.368 | 67% | 0.666 | S | S | . | * | trans | -59.2 | 162 | 160 | 62.7 | 0 | 0 | 0 | 0 | 109.1 | S204 G205 R206 | T202-S204 PolarHBondContact O-N 3.05Å; T202-S204 PolarHBondContact OG1-OG 3.41Å; T202-G205 PolarHBondContact O-N 3.49Å; T202-R206 PolarHBondContact N-O 3.3Å; T202-R206 PolarHBondContact OG1-O 3.3Å | ||
| 203 | R | 62.5 | Low | 62.4 | Low | 267 Ų | 267 | 126.9 Ų | 126.9 | 100% | 1.008 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | -8.3 | 176.1 | -78.5 | 179.1 | 66.7 | -139.2 | 3.3 | 115.2 | ||
| 204 | S | 62.8 | Low | 62.8 | Low | 85 Ų | 85 | 121 Ų | 121 | 59% | 0.594 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -2.8 | 173.5 | 75 | 0 | 0 | 0 | 0 | 115.3 | T202 R206 | T202-S204 PolarHBondContact O-N 3.05Å; T202-S204 PolarHBondContact OG1-OG 3.41Å; S204-R206 PolarHBondContact O-N 3.43Å; S204-R206 PolarHBondContact OG-N 3.01Å |
| 205 | G | 59.4 | Low | 63.6 | Low | 37 Ų | 37 | 117.9 Ų | 117.9 | 38% | 0.381 | 62% | 0.617 | S | S | . | * | S | Bend | trans | 76.1 | -5.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q201 T202 | Q201-G205 PolarHBondContact NE2-O 3.47Å; T202-G205 PolarHBondContact O-N 3.49Å |
| 206 | R | 74.8 | Confident | 64.2 | Low | 197 Ų | 197 | 120.6 Ų | 120.6 | 74% | 0.743 | 62% | 0.617 | S | S | * | * | trans | -80.5 | 124.9 | 170.7 | -65.1 | -172 | -176.9 | -142.3 | -0.8 | 110.3 | T202 S204 S208 | T202-R206 PolarHBondContact N-O 3.3Å; T202-R206 PolarHBondContact OG1-O 3.3Å; S204-R206 PolarHBondContact O-N 3.43Å; S204-R206 PolarHBondContact OG-N 3.01Å; R206-S208 PolarHBondContact O-N 3.35Å | ||
| 207 | V | 63.2 | Low | 64.6 | Low | 67 Ų | 67 | 121.4 Ų | 121.4 | 41% | 0.406 | 61% | 0.609 | S | S | . | * | B | Isolated β-bridge | trans | -66.2 | 119.3 | 161.4 | -176 | 0 | 0 | 0 | 0 | 106.8 | Q201 R209 | Q201-V207 HydrophobicContact CG-CG2 4.05Å; V207-R209 HydrophobicContact CB-CG 4.3Å; V207-R209 HydrophobicContact CG1-CG 3.78Å; V207-R209 PolarHBondContact O-N 2.84Å |
| 208 | S | 61.5 | Low | 64.8 | Low | 85 Ų | 85 | 124 Ų | 124 | 59% | 0.594 | 60% | 0.601 | S | S | * | * | trans | -74 | 67.1 | 174.4 | 53.5 | 0 | 0 | 0 | 0 | 110 | R206 P210 | R206-S208 PolarHBondContact O-N 3.35Å; S208-P210 WeakPolarHBondContact O-CD 3.46Å | ||
| 209 | R | 68.5 | Low | 65.3 | Low | 210 Ų | 210 | 126 Ų | 126 | 79% | 0.792 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -64 | 124 | 169.8 | -65.9 | -170.9 | 175.9 | -166.3 | -2.8 | 107.2 | V207 | V207-R209 HydrophobicContact CB-CG 4.3Å; V207-R209 HydrophobicContact CG1-CG 3.78Å; V207-R209 PolarHBondContact O-N 2.84Å |
| 210 | P | 69.6 | Low | 65.7 | Low | 55 Ų | 55 | 125.9 Ų | 125.9 | 36% | 0.357 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -52.7 | 149.6 | 170.9 | -25.2 | 34.5 | 0 | 0 | 0 | 109.9 | S208 K212 Y218 | S208-P210 WeakPolarHBondContact O-CD 3.46Å; P210-K212 PolarHBondContact O-N 3.48Å; P210-Y218 HydrophobicContact CB-CE2 3.84Å; P210-Y218 HydrophobicContact CG-CE2 3.97Å |
| 211 | P | 77.4 | Confident | 66.1 | Low | 74 Ų | 74 | 127.1 Ų | 127.1 | 48% | 0.481 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -46.8 | 138 | 176.5 | -29.6 | 35.9 | 0 | 0 | 0 | 111.1 | Y213 K214 A215 | P211-Y213 HydrophobicContact CB-CD1 3.6Å; P211-Y213 HydrophobicContact CB-CE1 3.31Å; P211-Y213 HydrophobicContact CG-CE1 4.19Å; P211-Y213 PolarHBondContact O-N 3.06Å; P211-K214 PolarHBondContact O-N 3.46Å; P211-A215 PolarHBondContact O-N 2.81Å |
| 212 | K | 64.9 | Low | 66.4 | Low | 200 Ų | 200 | 127.9 Ų | 127.9 | 87% | 0.87 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -23.7 | -167.8 | -167.8 | 176.3 | 179.5 | -177.4 | 0 | 114 | P210 | P210-K212 PolarHBondContact O-N 3.48Š|
| 213 | Y | 65.9 | Low | 66.2 | Low | 162 Ų | 162 | 130.2 Ų | 130.2 | 64% | 0.635 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -27.7 | 174.9 | 74.5 | -82.2 | 0 | 0 | 0 | 114.3 | P211 | P211-Y213 HydrophobicContact CB-CD1 3.6Å; P211-Y213 HydrophobicContact CB-CE1 3.31Å; P211-Y213 HydrophobicContact CG-CE1 4.19Å; P211-Y213 PolarHBondContact O-N 3.06Å |
| 214 | K | 63.4 | Low | 66.3 | Low | 78 Ų | 78 | 123.1 Ų | 123.1 | 34% | 0.339 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.7 | -21.6 | 177 | -61.1 | -74.5 | 66.5 | 172.5 | 0 | 114 | P211 K216 D217 Y218 | P211-K214 PolarHBondContact O-N 3.46Å; K214-K216 PolarHBondContact O-N 3.45Å; K214-D217 WeakPolarHBondContact CE-OD2 3.43Å; K214-D217 IonicContact NZ-OD2 3.34Å; K214-D217 PolarHBondContact NZ-OD2 2.72Å; K214-D217 PolarHBondContact O-N 3.29Å; K214-Y218 HydrophobicContact CB-CE2 4.18Å; K214-Y218 WeakPolarHBondContact O-CD2 3.37Å; K214-Y218 PolarHBondContact O-N 2.92Å |
| 215 | A | 68.9 | Low | 66.4 | Low | 46 Ų | 46 | 125.1 Ų | 125.1 | 38% | 0.38 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58 | -18.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P211 | P211-A215 PolarHBondContact O-N 2.81Š|
| 216 | K | 65.3 | Low | 66.5 | Low | 182 Ų | 182 | 129.5 Ų | 129.5 | 79% | 0.791 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -20.3 | 174.5 | -64.3 | -175 | 175.5 | -172.1 | 0 | 114.3 | K214 | K214-K216 PolarHBondContact O-N 3.45Š|
| 217 | D | 64.4 | Low | 65.8 | Low | 101 Ų | 101 | 124 Ų | 124 | 54% | 0.54 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.3 | -11.6 | -170.1 | -63.8 | -5.4 | 0 | 0 | 0 | 112.6 | K214 K219 | K214-D217 WeakPolarHBondContact CE-OD2 3.43Å; K214-D217 IonicContact NZ-OD2 3.34Å; K214-D217 PolarHBondContact NZ-OD2 2.72Å; K214-D217 PolarHBondContact O-N 3.29Å; D217-K219 PolarHBondContact O-N 3.31Å |
| 218 | Y | 64.7 | Low | 65.7 | Low | 142 Ų | 142 | 127.7 Ų | 127.7 | 56% | 0.557 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -65.2 | 108.3 | 163.2 | -73 | -79.9 | 0 | 0 | 0 | 108 | P210 K214 F220 | P210-Y218 HydrophobicContact CB-CE2 3.84Å; P210-Y218 HydrophobicContact CG-CE2 3.97Å; K214-Y218 HydrophobicContact CB-CE2 4.18Å; K214-Y218 WeakPolarHBondContact O-CD2 3.37Å; K214-Y218 PolarHBondContact O-N 2.92Å; Y218-F220 VanDerWaalsContact C-N 3.28Å; Y218-F220 WeakPolarHBondContact O-CD2 3.22Å; Y218-F220 PolarHBondContact O-N 2.98Å |
| 219 | K | 70.4 | Confident | 65.6 | Low | 203 Ų | 203 | 128.5 Ų | 128.5 | 88% | 0.883 | 63% | 0.632 | S | S | * | * | trans | -57 | 98.9 | 158.5 | -68.4 | -178.9 | 178 | -177.3 | 0 | 106.6 | D217 I221 | D217-K219 PolarHBondContact O-N 3.31Å; K219-I221 PolarHBondContact O-N 3.18Å; K219-I221 VanDerWaalsContact O-N 3.11Å | ||
| 220 | F | 66.7 | Low | 65.2 | Low | 165 Ų | 165 | 125.7 Ų | 125.7 | 72% | 0.724 | 63% | 0.627 | S | S | * | * | trans | -61.6 | 115.4 | 172.3 | -74.8 | -94.1 | 0 | 0 | 0 | 107 | Y218 K222 | Y218-F220 VanDerWaalsContact C-N 3.28Å; Y218-F220 WeakPolarHBondContact O-CD2 3.22Å; Y218-F220 PolarHBondContact O-N 2.98Å; F220-K222 PolarHBondContact O-N 3.33Å | ||
| 221 | I | 65.7 | Low | 65 | Low | 135 Ų | 135 | 132.4 Ų | 132.4 | 69% | 0.692 | 65% | 0.654 | S | S | * | * | trans | -56.7 | 115.1 | 163.3 | -60.7 | 169.9 | 0 | 0 | 0 | 104.8 | K219 D225 | K219-I221 PolarHBondContact O-N 3.18Å; K219-I221 VanDerWaalsContact O-N 3.11Å; I221-D225 HydrophobicContact CG2-CB 4.18Å | ||
| 222 | K | 66.5 | Low | 63.9 | Low | 135 Ų | 135 | 134.4 Ų | 134.4 | 59% | 0.587 | 67% | 0.67 | S | S | * | * | trans | -75 | 148.4 | -177 | -76.5 | 177.6 | 158.6 | -154.7 | 0 | 109 | F220 E224 D225 | F220-K222 PolarHBondContact O-N 3.33Å; K222-E224 WeakPolarHBondContact CD-OE2 3.38Å; K222-E224 IonicContact NZ-OE2 3.69Å; K222-E224 PolarHBondContact O-N 2.82Å; K222-E224 VanDerWaalsContact O-N 3.17Å; K222-D225 VanDerWaalsContact O-CB 3.27Å; K222-D225 WeakPolarHBondContact O-CB 3.5Å; K222-D225 PolarHBondContact O-N 2.7Å | ||
| 223 | T | 63.4 | Low | 63.5 | Low | 108 Ų | 108 | 132.3 Ų | 132.3 | 66% | 0.663 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -57.2 | -28.3 | 175.5 | 27.3 | 0 | 0 | 0 | 0 | 112.8 | D225 L226 | T223-D225 VanDerWaalsContact C-N 3.26Å; T223-D225 PolarHBondContact O-N 3.09Å; T223-L226 PolarHBondContact O-N 3.13Å |
| 224 | E | 64.3 | Low | 63.4 | Low | 119 Ų | 119 | 128.5 Ų | 128.5 | 56% | 0.556 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -61.5 | -30.1 | 173.7 | -56.6 | 83.7 | -87.4 | 0 | 0 | 113 | K222 L226 A227 | K222-E224 WeakPolarHBondContact CD-OE2 3.38Å; K222-E224 IonicContact NZ-OE2 3.69Å; K222-E224 PolarHBondContact O-N 2.82Å; K222-E224 VanDerWaalsContact O-N 3.17Å; E224-L226 VanDerWaalsContact C-N 3.3Å; E224-L226 PolarHBondContact O-N 3.22Å; E224-A227 PolarHBondContact O-N 3.31Å |
| 225 | D | 65.1 | Low | 63.4 | Low | 127 Ų | 127 | 131.8 Ų | 131.8 | 68% | 0.679 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -77.9 | -15.7 | 179.4 | -142.5 | 39.1 | 0 | 0 | 0 | 112.2 | I221 K222 T223 | I221-D225 HydrophobicContact CG2-CB 4.18Å; K222-D225 VanDerWaalsContact O-CB 3.27Å; K222-D225 WeakPolarHBondContact O-CB 3.5Å; K222-D225 PolarHBondContact O-N 2.7Å; T223-D225 VanDerWaalsContact C-N 3.26Å; T223-D225 PolarHBondContact O-N 3.09Å |
| 226 | L | 61.4 | Low | 63.4 | Low | 128 Ų | 128 | 137.5 Ų | 137.5 | 67% | 0.67 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -92.4 | -12.4 | 174.3 | -72.3 | 167.1 | 0 | 0 | 0 | 112.9 | T223 E224 | T223-L226 PolarHBondContact O-N 3.13Å; E224-L226 VanDerWaalsContact C-N 3.3Å; E224-L226 PolarHBondContact O-N 3.22Å |
| 227 | A | 60 | Low | 63.2 | Low | 83 Ų | 83 | 140 Ų | 140 | 69% | 0.686 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -81.8 | -18.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | E224 S229 | E224-A227 PolarHBondContact O-N 3.31Å; A227-S229 PolarHBondContact O-N 3.47Å; A227-S229 VanDerWaalsContact O-N 3.1Å |
| 228 | E | 60.7 | Low | 63.1 | Low | 144 Ų | 144 | 141.1 Ų | 141.1 | 67% | 0.673 | 73% | 0.732 | S | S | * | * | trans | -80.4 | 27 | 175.3 | -157.2 | 62.8 | -120.7 | 0 | 0 | 112.5 | H230 | E228-H230 PolarHBondContact O-N 3.4Å; E228-H230 IonicContact OE1-CE1 2.62Å; E228-H230 PolarHBondContact OE1-CE1 2.81Å; E228-H230 IonicContact OE1-NE2 3.93Å | ||
| 229 | S | 59.4 | Low | 62.8 | Low | 102 Ų | 102 | 141 Ų | 141 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | -92.1 | 92.8 | 170.9 | -175 | 0 | 0 | 0 | 0 | 108.9 | A227 | A227-S229 PolarHBondContact O-N 3.47Å; A227-S229 VanDerWaalsContact O-N 3.1Å | ||
| 230 | H | 62.1 | Low | 61.4 | Low | 151 Ų | 151 | 138.7 Ų | 138.7 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | trans | -51.5 | 148.9 | -179.5 | -64.8 | -68.3 | 0 | 0 | 0 | 113.7 | E228 S232 | E228-H230 PolarHBondContact O-N 3.4Å; E228-H230 IonicContact OE1-CE1 2.62Å; E228-H230 PolarHBondContact OE1-CE1 2.81Å; E228-H230 IonicContact OE1-NE2 3.93Å; H230-S232 PolarHBondContact O-N 2.95Å | ||
| 231 | Q | 65.3 | Low | 60.7 | Low | 195 Ų | 195 | 135.2 Ų | 135.2 | 91% | 0.911 | 73% | 0.732 | S | S | * | * | trans | -65.5 | 121.4 | 179.8 | -61.9 | 170.4 | -55.7 | 0 | 0 | 111.6 | ||||
| 232 | S | 53.5 | Low | 59.9 | Low | 117 Ų | 117 | 135.5 Ų | 135.5 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -167.1 | 135.8 | 163.8 | -64.6 | 0 | 0 | 0 | 0 | 107.4 | H230 | H230-S232 PolarHBondContact O-N 2.95Š| ||
| 233 | D | 55.7 | Low | 58.8 | Low | 156 Ų | 156 | 137.2 Ų | 137.2 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | cis | -146.9 | 149.7 | -11.3 | -161.5 | 2.8 | 0 | 0 | 0 | 106.6 | ||||
| 234 | S | 65.3 | Low | 58.1 | Low | 82 Ų | 82 | 140.3 Ų | 140.3 | 57% | 0.573 | 76% | 0.757 | S | S | * | * | trans | -84.4 | 172.1 | 178 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 235 | D | 62.4 | Low | 57.4 | Low | 147 Ų | 147 | 141.7 Ų | 141.7 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | 86.5 | 72.6 | 157.5 | -45.1 | -39.3 | 0 | 0 | 0 | 118.9 | ||||
| 236 | D | 68.2 | Low | 56.5 | Low | 166 Ų | 166 | 142.5 Ų | 142.5 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | trans | -152.5 | 32.9 | 153 | -139.4 | 2.9 | 0 | 0 | 0 | 115.6 | ||||
| 237 | Y | 61.4 | Low | 55.2 | Low | 234 Ų | 234 | 142.7 Ų | 142.7 | 92% | 0.918 | 77% | 0.765 | S | S | * | * | trans | -101.3 | 98.3 | 167.6 | -88.1 | -84.7 | 0 | 0 | 0 | 110 | ||||
| 238 | S | 63.4 | Low | 54.4 | Low | 124 Ų | 124 | 142.1 Ų | 142.1 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | trans | 177.3 | 74.6 | 146.2 | -98 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 239 | D | 57.6 | Low | 53.7 | Low | 141 Ų | 141 | 144.2 Ų | 144.2 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | -156.6 | 138.1 | 154.1 | -162.2 | 73.2 | 0 | 0 | 0 | 108.4 | ||||
| 240 | M | 41.3 | Very low | 53.1 | Low | 153 Ų | 153 | 150.2 Ų | 150.2 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | cis | -124.8 | 175.7 | -8.6 | -134.5 | -48.2 | 104.1 | 0 | 0 | 109.1 | ||||
| 241 | S | 52.4 | Low | 52 | Low | 93 Ų | 93 | 150.8 Ų | 150.8 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | trans | -132.7 | 135.2 | 164.1 | 171.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 242 | V | 48.9 | Very low | 50.6 | Low | 141 Ų | 141 | 144.6 Ų | 144.6 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -175.2 | 142.4 | 145.1 | 134.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 243 | E | 43 | Very low | 50.4 | Low | 170 Ų | 170 | 145.9 Ų | 145.9 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -97.9 | -161.5 | 177.2 | -50.1 | -146.5 | 161.2 | 0 | 0 | 111 | ||||
| 244 | E | 47.9 | Very low | 49.6 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | trans | 69.9 | 143 | 174.9 | -69.2 | -177.2 | 152.5 | 0 | 0 | 116.5 | ||||
| 245 | E | 49.5 | Very low | 48.7 | Very low | 148 Ų | 148 | 144 Ų | 144 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | cis | -158 | 164.4 | -5.5 | -133 | 177.8 | 159.7 | 0 | 0 | 112.1 | ||||
| 246 | E | 47.1 | Very low | 47.7 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | 27.7 | 126.8 | 137.6 | -174.3 | 163.2 | 166.8 | 0 | 0 | 120 | ||||
| 247 | N | 34.8 | Very low | 46.9 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | -175.7 | 156.4 | 55.7 | -142.2 | -19.9 | 0 | 0 | 0 | 117.6 | |||||
| 248 | A | 41.8 | Very low | 46.5 | Very low | 71 Ų | 71 | 134.3 Ų | 134.3 | 59% | 0.587 | 77% | 0.774 | S | S | * | * | trans | 52.5 | 142.3 | 137.6 | 0 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 249 | K | 46.1 | Very low | 45.9 | Very low | 187 Ų | 187 | 134.1 Ų | 134.1 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 79.8 | 129.4 | 148.5 | -108.8 | 110.8 | 171.7 | -176.3 | 0 | 116.9 | ||||
| 250 | R | 48 | Very low | 45.3 | Very low | 229 Ų | 229 | 132.1 Ų | 132.1 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | cis | -138.7 | 156.7 | 14.2 | -77 | -173.9 | -174.6 | -130.5 | 8.1 | 113.9 | ||||
| 251 | D | 39.3 | Very low | 45.8 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -65.7 | 149.5 | 171.8 | -46.6 | -97.9 | 0 | 0 | 0 | 114.7 | ||||
| 252 | G | 35.5 | Very low | 45.6 | Very low | 65 Ų | 65 | 133.4 Ų | 133.4 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | trans | -153.3 | 122.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | G254 | G252-G254 PolarHBondContact O-N 2.89Å; G252-G254 VanDerWaalsContact O-N 3.1Å | ||
| 253 | P | 48.3 | Very low | 45.8 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 94% | 0.935 | 77% | 0.767 | S | S | * | * | trans | -78.8 | 102 | -169.3 | 30 | -33.9 | 0 | 0 | 0 | 111.7 | ||||
| 254 | G | 38.3 | Very low | 46.2 | Very low | 71 Ų | 71 | 128.9 Ų | 128.9 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | trans | -137.1 | 56.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G252 S256 | G252-G254 PolarHBondContact O-N 2.89Å; G252-G254 VanDerWaalsContact O-N 3.1Å; G254-S256 PolarHBondContact O-N 3.09Å | ||
| 255 | S | 48.2 | Very low | 46.6 | Very low | 127 Ų | 127 | 126.5 Ų | 126.5 | 89% | 0.888 | 74% | 0.742 | S | S | * | * | trans | -60.8 | 99.7 | -177.7 | 166.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 256 | S | 41.5 | Very low | 46.8 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | trans | -163.9 | 104.5 | 136.4 | 49 | 0 | 0 | 0 | 0 | 113.2 | G254 | G254-S256 PolarHBondContact O-N 3.09Š| ||
| 257 | S | 49.9 | Very low | 47.4 | Very low | 109 Ų | 109 | 125 Ų | 125 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | trans | 23.8 | 102.3 | 149.4 | -52 | 0 | 0 | 0 | 0 | 119.6 | S259 | S257-S259 PolarHBondContact O-N 3.35Š| ||
| 258 | P | 52.9 | Low | 48.7 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -81.7 | 56.5 | 170.7 | 37 | -36.7 | 0 | 0 | 0 | 112 | ||
| 259 | S | 52 | Low | 50.4 | Low | 119 Ų | 119 | 124.3 Ų | 124.3 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | trans | -162.5 | 63.3 | 170.6 | -87.9 | 0 | 0 | 0 | 0 | 112.9 | S257 | S257-S259 PolarHBondContact O-N 3.35Š| ||
| 260 | S | 44.4 | Very low | 52.5 | Low | 100 Ų | 100 | 117.9 Ų | 117.9 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | trans | -130.2 | 126.9 | 144.7 | -177.2 | 0 | 0 | 0 | 0 | 107.6 | S262 | S260-S262 PolarHBondContact O-N 3.25Š| ||
| 261 | L | 51.4 | Low | 54.7 | Low | 177 Ų | 177 | 112.9 Ų | 112.9 | 93% | 0.927 | 68% | 0.678 | S | S | * | * | trans | -72.2 | 67.9 | -180 | -68.9 | 170.9 | 0 | 0 | 0 | 110.1 | Y263 | L261-Y263 PolarHBondContact O-N 3Š| ||
| 262 | S | 48.6 | Very low | 57.2 | Low | 96 Ų | 96 | 105.5 Ų | 105.5 | 67% | 0.671 | 64% | 0.639 | S | S | * | * | trans | -72.4 | 68 | 168.9 | 61.1 | 0 | 0 | 0 | 0 | 109.6 | S260 S264 | S260-S262 PolarHBondContact O-N 3.25Å; S262-S264 VanDerWaalsContact C-N 3.35Å; S262-S264 WeakPolarHBondContact O-CA 3.43Å; S262-S264 PolarHBondContact O-N 3.01Å | ||
| 263 | Y | 52.8 | Low | 59.8 | Low | 155 Ų | 155 | 110.9 Ų | 110.9 | 61% | 0.608 | 65% | 0.647 | S | S | * | * | trans | -49.2 | 105 | 159.7 | 176.5 | -86.9 | 0 | 0 | 0 | 106.8 | L261 L265 | L261-Y263 PolarHBondContact O-N 3Å; Y263-L265 WeakPolarHBondContact O-CD1 3.45Å; Y263-L265 PolarHBondContact O-N 3.31Å | ||
| 264 | S | 52 | Low | 61.9 | Low | 60 Ų | 60 | 107.4 Ų | 107.4 | 42% | 0.42 | 62% | 0.624 | S | S | . | * | trans | -58.3 | 101.9 | -155.4 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | S262 K266 S267 | S262-S264 VanDerWaalsContact C-N 3.35Å; S262-S264 WeakPolarHBondContact O-CA 3.43Å; S262-S264 PolarHBondContact O-N 3.01Å; S264-K266 PolarHBondContact O-N 2.94Å; S264-K266 WeakPolarHBondContact OG-CB 3.44Å; S264-S267 WeakPolarHBondContact O-CB 3.4Å; S264-S267 PolarHBondContact O-N 3.31Å; S264-S267 PolarHBondContact O-OG 2.92Å | ||
| 265 | L | 55.8 | Low | 64.5 | Low | 124 Ų | 124 | 105.4 Ų | 105.4 | 65% | 0.649 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -63.1 | -7.5 | -179.9 | -76.6 | 97.3 | 0 | 0 | 0 | 112.9 | Y263 S267 | Y263-L265 WeakPolarHBondContact O-CD1 3.45Å; Y263-L265 PolarHBondContact O-N 3.31Å; L265-S267 PolarHBondContact O-N 3.43Å |
| 266 | K | 54.3 | Low | 66.5 | Low | 194 Ų | 194 | 107.2 Ų | 107.2 | 84% | 0.843 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -64.5 | -21.7 | 169.3 | -48.3 | -179.5 | -175.1 | -178.8 | 0 | 112.4 | S264 | S264-K266 PolarHBondContact O-N 2.94Å; S264-K266 WeakPolarHBondContact OG-CB 3.44Å |
| 267 | S | 59.5 | Low | 68.9 | Low | 66 Ų | 66 | 107.5 Ų | 107.5 | 46% | 0.462 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -80.9 | -13.1 | -175.9 | 60.1 | 0 | 0 | 0 | 0 | 115.8 | S264 L265 C269 | S264-S267 WeakPolarHBondContact O-CB 3.4Å; S264-S267 PolarHBondContact O-N 3.31Å; S264-S267 PolarHBondContact O-OG 2.92Å; L265-S267 PolarHBondContact O-N 3.43Å; S267-C269 PolarHBondContact O-N 3.01Å |
| 268 | R | 62.9 | Low | 71 | Confident | 96 Ų | 96 | 103.4 Ų | 103.4 | 36% | 0.362 | 56% | 0.559 | S | S | . | * | trans | -99.4 | 77.8 | -179.4 | -60 | -169.8 | -172.9 | -167.6 | 7.7 | 111.4 | H270 R271 A278 | R268-H270 VanDerWaalsContact C-N 3.3Å; R268-H270 PolarHBondContact O-N 3.33Å; R268-R271 PolarHBondContact O-NH1 2.9Å; R268-A278 HydrophobicContact CB-CB 3.86Å; R268-A278 PolarHBondContact NH1-O 3.24Å; R268-A278 VanDerWaalsContact NH1-O 3.15Å | ||
| 269 | C | 77 | Confident | 72.9 | Confident | 93 Ų | 93 | 99.9 Ų | 99.9 | 63% | 0.628 | 53% | 0.529 | S | S | * | . | trans | -71.1 | -21 | 177 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | S267 R271 | S267-C269 PolarHBondContact O-N 3.01Å; C269-R271 PolarHBondContact O-N 3.27Å; C269-R271 VanDerWaalsContact O-N 3.1Å | ||
| 270 | H | 90.1 | Very high | 74.8 | Confident | 52 Ų | 52 | 101.1 Ų | 101.1 | 24% | 0.241 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 68.6 | -178.1 | -57.6 | -64.6 | 0 | 0 | 0 | 112.2 | R268 Y279 G281 P282 L285 | R268-H270 VanDerWaalsContact C-N 3.3Å; R268-H270 PolarHBondContact O-N 3.33Å; H270-Y279 PolarHBondContact O-N 3.43Å; H270-G281 VanDerWaalsContact CD2-C 3.45Å; H270-G281 WeakPolarHBondContact CD2-CA 3.48Å; H270-P282 WeakPolarHBondContact NE2-CD 3.44Å; H270-L285 HydrophobicContact CB-CB 4.23Å; H270-L285 HydrophobicContact CB-CD2 4.19Å |
| 271 | R | 93.4 | Very high | 77.1 | Confident | 124 Ų | 124 | 97.3 Ų | 97.3 | 47% | 0.468 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 145.4 | 170.9 | -72.1 | -178.5 | 169.1 | 86.7 | -0.5 | 111 | R268 C269 A278 | R268-R271 PolarHBondContact O-NH1 2.9Å; C269-R271 PolarHBondContact O-N 3.27Å; C269-R271 VanDerWaalsContact O-N 3.1Å; R271-A278 HydrophobicContact CG-CB 3.76Å |
| 272 | C | 93 | Very high | 79.1 | Confident | 8 Ų | 8 | 93 Ų | 93 | 5% | 0.054 | 48% | 0.484 | C | S | . | . | trans | -71.9 | 147.1 | 161.7 | 177.5 | 0 | 0 | 0 | 0 | 109.4 | T274 C275 K277 L285 H288 | C272-T274 PolarHBondContact SG-OG1 3.23Å; C272-C275 CarbonylContact C-O 3.56Å; C272-C275 WeakPolarHBondContact CB-O 3.49Å; C272-C275 VanDerWaalsContact O-O 3.07Å; C272-C275 VanDerWaalsContact SG-SG 3.63Å; C272-K277 PolarHBondContact N-O 3.08Å; C272-L285 HydrophobicContact CB-CD1 3.97Å; C272-H288 VanDerWaalsContact SG-CD2 3.6Å | ||
| 273 | Q | 90.1 | Very high | 81.3 | Confident | 178 Ų | 178 | 91.1 Ų | 91.1 | 83% | 0.832 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -86.5 | -27.8 | -179.4 | -60.1 | -176.5 | 41 | 0 | 0 | 112.4 | ||
| 274 | T | 92.5 | Very high | 83.3 | Confident | 72 Ų | 72 | 85.1 Ų | 85.1 | 44% | 0.442 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -95.9 | -7 | -178 | 42.3 | 0 | 0 | 0 | 0 | 113.5 | C272 H295 | C272-T274 PolarHBondContact SG-OG1 3.23Å; T274-H295 WeakPolarHBondContact OG1-CA 3.45Å; T274-H295 WeakPolarHBondContact OG1-CB 3.38Å; T274-H295 PolarHBondContact OG1-CD2 3.18Å; T274-H295 PolarHBondContact OG1-O 2.98Å |
| 275 | C | 92.1 | Very high | 85.3 | Confident | 29 Ų | 29 | 83.3 Ų | 83.3 | 20% | 0.196 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -155.2 | 153.8 | 169.2 | 70.9 | 0 | 0 | 0 | 0 | 112.1 | C272 K277 H288 | C272-C275 CarbonylContact C-O 3.56Å; C272-C275 WeakPolarHBondContact CB-O 3.49Å; C272-C275 VanDerWaalsContact O-O 3.07Å; C272-C275 VanDerWaalsContact SG-SG 3.63Å; C275-K277 PolarHBondContact O-N 3.13Å; C275-K277 VanDerWaalsContact SG-CG 3.59Å; C275-H288 PolarHBondContact SG-NE2 3.32Å; C275-H288 VanDerWaalsContact SG-NE2 3.43Å |
| 276 | D | 90.3 | Very high | 87.1 | Confident | 164 Ų | 164 | 82 Ų | 82 | 88% | 0.877 | 44% | 0.444 | S | S | * | . | trans | -68.2 | 15.1 | -174.8 | -57.4 | -60.4 | 0 | 0 | 0 | 115.9 | A278 | D276-A278 PolarHBondContact O-N 2.91Š| ||
| 277 | K | 92.6 | Very high | 89.1 | Confident | 110 Ų | 110 | 80.9 Ų | 80.9 | 48% | 0.478 | 43% | 0.434 | S | S | . | . | trans | -74.8 | 117 | -179.1 | -62.1 | -176.5 | -160.4 | -58.7 | 0 | 110.3 | C272 C275 Y279 | C272-K277 PolarHBondContact N-O 3.08Å; C275-K277 PolarHBondContact O-N 3.13Å; C275-K277 VanDerWaalsContact SG-CG 3.59Å; K277-Y279 HydrophobicContact CB-CE2 3.8Å | ||
| 278 | A | 94 | Very high | 90.9 | Very high | 23 Ų | 23 | 78.4 Ų | 78.4 | 19% | 0.19 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 118.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R268 R271 D276 | R268-A278 HydrophobicContact CB-CB 3.86Å; R268-A278 PolarHBondContact NH1-O 3.24Å; R268-A278 VanDerWaalsContact NH1-O 3.15Å; R271-A278 HydrophobicContact CG-CB 3.76Å; D276-A278 PolarHBondContact O-N 2.91Å |
| 279 | Y | 92.6 | Very high | 92.4 | Very high | 57 Ų | 57 | 76.4 Ų | 76.4 | 22% | 0.224 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 159.8 | -178.6 | -63.3 | -81.8 | 0 | 0 | 0 | 112.3 | H270 K277 L285 H288 | H270-Y279 PolarHBondContact O-N 3.43Å; K277-Y279 HydrophobicContact CB-CE2 3.8Å; Y279-L285 HydrophobicContact CD2-CB 4.23Å; Y279-L285 HydrophobicContact CD2-CD1 4.03Å; Y279-L285 HydrophobicContact CE2-CD1 4.41Å; Y279-H288 HydrophobicContact CD2-CB 4.45Å; Y279-H288 HydrophobicContact CE1-CB 4.4Å; Y279-H288 HydrophobicContact CE2-CB 3.61Å; Y279-H288 AromaticContact CE2-CG 3.7Å; Y279-H288 AromaticContact CZ-CG 3.79Å; Y279-H288 PolarHBondContact OH-CE1 2.93Å; Y279-H288 PolarHBondContact OH-ND1 2.72Å; Y279-H288 VanDerWaalsContact OH-ND1 3.15Å |
| 280 | I | 91 | Very high | 93.2 | Very high | 146 Ų | 146 | 79.9 Ų | 79.9 | 75% | 0.749 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -73.6 | -29.3 | -179 | -62.2 | 167.7 | 0 | 0 | 0 | 111.6 | ||
| 281 | G | 93 | Very high | 93.4 | Very high | 20 Ų | 20 | 82.3 Ų | 82.3 | 21% | 0.206 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -155.7 | 169.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H270 G283 G284 L285 | H270-G281 VanDerWaalsContact CD2-C 3.45Å; H270-G281 WeakPolarHBondContact CD2-CA 3.48Å; G281-G283 PolarHBondContact O-N 3.48Å; G281-G284 PolarHBondContact O-N 3.22Å; G281-L285 PolarHBondContact O-N 3.07Å |
| 282 | P | 92.8 | Very high | 93.4 | Very high | 86 Ų | 86 | 78.8 Ų | 78.8 | 56% | 0.558 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -58.3 | -35.5 | -178 | -19.2 | 28.5 | 0 | 0 | 0 | 112.9 | H270 G284 L285 N286 | H270-P282 WeakPolarHBondContact NE2-CD 3.44Å; P282-G284 VanDerWaalsContact C-N 3.31Å; P282-G284 PolarHBondContact O-N 3.24Å; P282-L285 PolarHBondContact O-N 3.41Å; P282-N286 WeakPolarHBondContact O-CB 3.38Å; P282-N286 PolarHBondContact O-N 3.48Å |
| 283 | G | 95.3 | Very high | 93.2 | Very high | 56 Ų | 56 | 83.1 Ų | 83.1 | 58% | 0.577 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.8 | -32.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G281 R287 | G281-G283 PolarHBondContact O-N 3.48Å; G283-R287 WeakPolarHBondContact O-CB 3.39Å; G283-R287 PolarHBondContact O-N 2.87Å |
| 284 | G | 94.9 | Very high | 93.3 | Very high | 29 Ų | 29 | 80.2 Ų | 80.2 | 30% | 0.299 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69 | -41.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | G281 P282 H288 | G281-G284 PolarHBondContact O-N 3.22Å; P282-G284 VanDerWaalsContact C-N 3.31Å; P282-G284 PolarHBondContact O-N 3.24Å; G284-H288 PolarHBondContact O-N 3.39Å |
| 285 | L | 94.8 | Very high | 93.2 | Very high | 23 Ų | 23 | 78.6 Ų | 78.6 | 12% | 0.12 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.5 | -42.7 | 176.2 | -176.8 | 61.6 | 0 | 0 | 0 | 112.2 | H270 C272 Y279 G281 P282 H288 Y289 | H270-L285 HydrophobicContact CB-CB 4.23Å; H270-L285 HydrophobicContact CB-CD2 4.19Å; C272-L285 HydrophobicContact CB-CD1 3.97Å; Y279-L285 HydrophobicContact CD2-CB 4.23Å; Y279-L285 HydrophobicContact CD2-CD1 4.03Å; Y279-L285 HydrophobicContact CE2-CD1 4.41Å; G281-L285 PolarHBondContact O-N 3.07Å; P282-L285 PolarHBondContact O-N 3.41Å; L285-H288 WeakPolarHBondContact O-CA 3.24Å; L285-H288 VanDerWaalsContact O-CB 3.29Å; L285-H288 WeakPolarHBondContact O-CB 3.37Å; L285-H288 PolarHBondContact O-N 3.15Å; L285-H288 VanDerWaalsContact O-N 3.08Å; L285-Y289 HydrophobicContact CD1-CE1 4.06Å; L285-Y289 HydrophobicContact CD1-CE2 4.04Å; L285-Y289 HydrophobicContact CD2-CE2 4.2Å; L285-Y289 HydrophobicContact CG-CD2 4.39Å; L285-Y289 HydrophobicContact CG-CE2 3.7Å; L285-Y289 PolarHBondContact O-N 3Å |
| 286 | N | 94.1 | Very high | 92.6 | Very high | 96 Ų | 96 | 79.2 Ų | 79.2 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 174.9 | -170.7 | -1.2 | 0 | 0 | 0 | 111.3 | P282 H288 Y289 K290 | P282-N286 WeakPolarHBondContact O-CB 3.38Å; P282-N286 PolarHBondContact O-N 3.48Å; N286-H288 PolarHBondContact O-N 2.95Å; N286-Y289 PolarHBondContact O-N 3.32Å; N286-K290 WeakPolarHBondContact O-CG 3.31Å; N286-K290 PolarHBondContact O-N 3.43Å |
| 287 | R | 95.6 | Very high | 91.6 | Very high | 170 Ų | 170 | 79 Ų | 79 | 64% | 0.642 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60 | -34.5 | 171.7 | -175.5 | 176.8 | -177.7 | -82.4 | -1.6 | 112.1 | G283 L291 | G283-R287 WeakPolarHBondContact O-CB 3.39Å; G283-R287 PolarHBondContact O-N 2.87Å; R287-L291 HydrophobicContact CG-CD1 4.11Å; R287-L291 WeakPolarHBondContact O-CG 3.42Å; R287-L291 PolarHBondContact O-N 2.96Å |
| 288 | H | 96.5 | Very high | 90 | Very high | 15 Ų | 15 | 83 Ų | 83 | 7% | 0.069 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -65.3 | -46.8 | 175.8 | 173.6 | 66.3 | 0 | 0 | 0 | 111.9 | C272 C275 Y279 G284 L285 N286 L291 N292 H295 | C272-H288 VanDerWaalsContact SG-CD2 3.6Å; C275-H288 PolarHBondContact SG-NE2 3.32Å; C275-H288 VanDerWaalsContact SG-NE2 3.43Å; Y279-H288 HydrophobicContact CD2-CB 4.45Å; Y279-H288 HydrophobicContact CE1-CB 4.4Å; Y279-H288 HydrophobicContact CE2-CB 3.61Å; Y279-H288 AromaticContact CE2-CG 3.7Å; Y279-H288 AromaticContact CZ-CG 3.79Å; Y279-H288 PolarHBondContact OH-CE1 2.93Å; Y279-H288 PolarHBondContact OH-ND1 2.72Å; Y279-H288 VanDerWaalsContact OH-ND1 3.15Å; G284-H288 PolarHBondContact O-N 3.39Å; L285-H288 WeakPolarHBondContact O-CA 3.24Å; L285-H288 VanDerWaalsContact O-CB 3.29Å; L285-H288 WeakPolarHBondContact O-CB 3.37Å; L285-H288 PolarHBondContact O-N 3.15Å; L285-H288 VanDerWaalsContact O-N 3.08Å; N286-H288 PolarHBondContact O-N 2.95Å; H288-L291 PolarHBondContact O-N 3.49Å; H288-L291 VanDerWaalsContact O-N 3.15Å; H288-N292 PolarHBondContact CE1-ND2 3.49Å; H288-N292 PolarHBondContact ND1-ND2 3.43Å; H288-N292 PolarHBondContact NE2-ND2 3.13Å; H288-N292 PolarHBondContact O-N 2.95Å; H288-N292 PolarHBondContact O-ND2 2.98Å; H288-H295 AromaticContact NE2-CE1 3.31Å; H288-H295 PolarHBondContact NE2-CE1 3.17Å; H288-H295 VanDerWaalsContact NE2-CE1 3.31Å; H288-H295 AromaticContact NE2-ND1 2.99Å; H288-H295 PolarHBondContact NE2-ND1 3.08Å |
| 289 | Y | 94.9 | Very high | 89.7 | Confident | 53 Ų | 53 | 86 Ų | 86 | 21% | 0.208 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -62 | -42.4 | 174.7 | -59.8 | -36.9 | 0 | 0 | 0 | 112.6 | L285 N286 L291 N292 H295 | L285-Y289 HydrophobicContact CD1-CE1 4.06Å; L285-Y289 HydrophobicContact CD1-CE2 4.04Å; L285-Y289 HydrophobicContact CD2-CE2 4.2Å; L285-Y289 HydrophobicContact CG-CD2 4.39Å; L285-Y289 HydrophobicContact CG-CE2 3.7Å; L285-Y289 PolarHBondContact O-N 3Å; N286-Y289 PolarHBondContact O-N 3.32Å; Y289-L291 PolarHBondContact O-N 2.97Å; Y289-L291 VanDerWaalsContact O-N 3.13Å; Y289-N292 CarbonylContact O-C 3.19Å; Y289-N292 PolarHBondContact O-N 3.39Å; Y289-N292 VanDerWaalsContact O-N 3.12Å; Y289-N292 VanDerWaalsContact O-O 3.12Å; Y289-H295 HydrophobicContact CD1-CB 3.99Å; Y289-H295 WeakPolarHBondContact CD1-O 3.03Å; Y289-H295 HydrophobicContact CE1-CB 4.31Å; Y289-H295 WeakPolarHBondContact CE1-O 3.41Å |
| 290 | K | 94.3 | Very high | 89.6 | Confident | 167 Ų | 167 | 87.5 Ų | 87.5 | 73% | 0.726 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.3 | -23.2 | 174.5 | -71.3 | -173.3 | 68.4 | 173.8 | 0 | 114.6 | N286 | N286-K290 WeakPolarHBondContact O-CG 3.31Å; N286-K290 PolarHBondContact O-N 3.43Å |
| 291 | L | 94.3 | Very high | 89.5 | Confident | 102 Ų | 102 | 84.3 Ų | 84.3 | 53% | 0.534 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -100 | -14.2 | 178.1 | -68.5 | 174.9 | 0 | 0 | 0 | 113.3 | R287 H288 Y289 | R287-L291 HydrophobicContact CG-CD1 4.11Å; R287-L291 WeakPolarHBondContact O-CG 3.42Å; R287-L291 PolarHBondContact O-N 2.96Å; H288-L291 PolarHBondContact O-N 3.49Å; H288-L291 VanDerWaalsContact O-N 3.15Å; Y289-L291 PolarHBondContact O-N 2.97Å; Y289-L291 VanDerWaalsContact O-N 3.13Å |
| 292 | N | 92.8 | Very high | 89.3 | Confident | 50 Ų | 50 | 88.1 Ų | 88.1 | 27% | 0.267 | 50% | 0.499 | S | S | . | . | trans | -136 | 80.9 | -178.6 | -54.8 | -97.1 | 0 | 0 | 0 | 107 | H288 Y289 T294 H295 | H288-N292 PolarHBondContact CE1-ND2 3.49Å; H288-N292 PolarHBondContact ND1-ND2 3.43Å; H288-N292 PolarHBondContact NE2-ND2 3.13Å; H288-N292 PolarHBondContact O-N 2.95Å; H288-N292 PolarHBondContact O-ND2 2.98Å; Y289-N292 CarbonylContact O-C 3.19Å; Y289-N292 PolarHBondContact O-N 3.39Å; Y289-N292 VanDerWaalsContact O-N 3.12Å; Y289-N292 VanDerWaalsContact O-O 3.12Å; N292-T294 PolarHBondContact O-N 3.24Å; N292-H295 HydrophobicContact CB-CB 4.02Å; N292-H295 WeakPolarHBondContact O-CB 3.46Å; N292-H295 PolarHBondContact O-N 3.27Å | ||
| 293 | P | 89.2 | Confident | 89.1 | Confident | 100 Ų | 100 | 88.2 Ų | 88.2 | 65% | 0.649 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -57 | -35.5 | -174.5 | -27.3 | 36.2 | 0 | 0 | 0 | 113.1 | H295 G296 | P293-H295 PolarHBondContact O-N 3.43Å; P293-G296 PolarHBondContact O-N 2.83Å; P293-G296 VanDerWaalsContact O-N 3.13Å |
| 294 | T | 91.4 | Very high | 88.7 | Confident | 116 Ų | 116 | 90.3 Ų | 90.3 | 71% | 0.712 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -60.1 | -12.2 | 173.8 | 53.8 | 0 | 0 | 0 | 0 | 114.7 | N292 | N292-T294 PolarHBondContact O-N 3.24Š|
| 295 | H | 91.6 | Very high | 88.2 | Confident | 39 Ų | 39 | 94.7 Ų | 94.7 | 18% | 0.181 | 50% | 0.504 | C | S | . | . | G | 310 helix | trans | -102.3 | -11.6 | -179.4 | -66.4 | -170.4 | 0 | 0 | 0 | 113.3 | T274 H288 Y289 N292 P293 | T274-H295 WeakPolarHBondContact OG1-CA 3.45Å; T274-H295 WeakPolarHBondContact OG1-CB 3.38Å; T274-H295 PolarHBondContact OG1-CD2 3.18Å; T274-H295 PolarHBondContact OG1-O 2.98Å; H288-H295 AromaticContact NE2-CE1 3.31Å; H288-H295 PolarHBondContact NE2-CE1 3.17Å; H288-H295 VanDerWaalsContact NE2-CE1 3.31Å; H288-H295 AromaticContact NE2-ND1 2.99Å; H288-H295 PolarHBondContact NE2-ND1 3.08Å; Y289-H295 HydrophobicContact CD1-CB 3.99Å; Y289-H295 WeakPolarHBondContact CD1-O 3.03Å; Y289-H295 HydrophobicContact CE1-CB 4.31Å; Y289-H295 WeakPolarHBondContact CE1-O 3.41Å; N292-H295 HydrophobicContact CB-CB 4.02Å; N292-H295 WeakPolarHBondContact O-CB 3.46Å; N292-H295 PolarHBondContact O-N 3.27Å; P293-H295 PolarHBondContact O-N 3.43Å |
| 296 | G | 78.3 | Confident | 87.7 | Confident | 41 Ų | 41 | 100.2 Ų | 100.2 | 42% | 0.423 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -100.8 | -4.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | P293 | P293-G296 PolarHBondContact O-N 2.83Å; P293-G296 VanDerWaalsContact O-N 3.13Å |
| 297 | E | 68.8 | Low | 87.2 | Confident | 161 Ų | 161 | 100.6 Ų | 100.6 | 75% | 0.752 | 54% | 0.535 | S | S | * | . | trans | -97.7 | 136.5 | 172.1 | -64.2 | -119.9 | 119.8 | 0 | 0 | 109.9 | ||||
| 298 | P | 58.9 | Low | 86.5 | Confident | 193 Ų | 193 | 94.3 Ų | 94.3 | 100% | 1.253 | 53% | 0.525 | S | S | * | . | trans | -83.4 | 0 | 172.8 | 35 | -34 | 0 | 0 | 0 | 113.3 |
Retrieved 298 of 298 residues in 286.4 ms
(Link to these results)