| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.8 | Very low | 46.5 | Very low | 249 Ų | 249 | 142.8 Ų | 142.8 | 100% | 1.227 | 83% | 0.827 | S | S | * | * | 0 | 110.6 | 0 | -78.4 | 171.4 | 167.2 | 0 | 0 | 106.6 | |||||
| 2 | D | 37.2 | Very low | 46.5 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -132.5 | 114.2 | 172.1 | -137.9 | -38.4 | 0 | 0 | 0 | 106.7 | N4 | D2-N4 PolarHBondContact O-N 3.25Š| ||
| 3 | P | 49.8 | Very low | 46.8 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | -97 | 42.7 | -165.2 | 37.8 | -35.8 | 0 | 0 | 0 | 113.3 | ||||
| 4 | N | 46.7 | Very low | 47.7 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -137.8 | 61.6 | -173.2 | -122 | -16.6 | 0 | 0 | 0 | 113.9 | D2 | D2-N4 PolarHBondContact O-N 3.25Š| ||
| 5 | Q | 48 | Very low | 48.3 | Very low | 198 Ų | 198 | 141.3 Ų | 141.3 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -125.1 | 128.4 | 163 | -101.8 | 178.5 | 11.5 | 0 | 0 | 111.6 | ||||
| 6 | H | 46.3 | Very low | 48.6 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 136.1 | -173.4 | -80.9 | 47.7 | 0 | 0 | 0 | 112.7 | ||
| 7 | N | 46 | Very low | 49.1 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 124.4 | 160.4 | -157.1 | 32.4 | 0 | 0 | 0 | 108 | ||
| 8 | P | 47.2 | Very low | 49.5 | Very low | 81 Ų | 81 | 140.3 Ų | 140.3 | 53% | 0.526 | 77% | 0.765 | S | S | . | * | P | Polyproline II helix | trans | -75.5 | 154.6 | -179.9 | 30.3 | -32.3 | 0 | 0 | 0 | 111.1 | ||
| 9 | P | 46.9 | Very low | 49.9 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 63% | 0.63 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 144.1 | -178.3 | 26.7 | -33.2 | 0 | 0 | 0 | 112.1 | G11 H12 | P9-G11 PolarHBondContact O-N 3.46Å; P9-H12 PolarHBondContact O-ND1 3.36Å |
| 10 | A | 50.4 | Low | 49.9 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 92% | 0.917 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | 127.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 11 | G | 52.1 | Low | 50 | Low | 79 Ų | 79 | 129.5 Ų | 129.5 | 81% | 0.814 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.2 | -5.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | P9 | P9-G11 PolarHBondContact O-N 3.46Š|
| 12 | H | 46.3 | Very low | 50.8 | Low | 142 Ų | 142 | 124.2 Ų | 124.2 | 66% | 0.657 | 70% | 0.701 | S | S | * | * | trans | -99.6 | 119.9 | 178.2 | -67.4 | 79.1 | 0 | 0 | 0 | 111 | P9 I14 | P9-H12 PolarHBondContact O-ND1 3.36Å; H12-I14 PolarHBondContact O-N 3.08Å; H12-I14 VanDerWaalsContact O-N 3.09Å | ||
| 13 | Q | 51.1 | Low | 52 | Low | 180 Ų | 180 | 120.8 Ų | 120.8 | 84% | 0.841 | 69% | 0.686 | S | S | * | * | trans | -63.8 | 107.5 | 171.2 | -166.4 | 171.2 | 33 | 0 | 0 | 108.6 | V15 | Q13-V15 PolarHBondContact O-N 3.17Š| ||
| 14 | I | 59.4 | Low | 52.7 | Low | 119 Ų | 119 | 119.8 Ų | 119.8 | 61% | 0.61 | 67% | 0.674 | S | S | * | * | trans | -77.4 | 96.3 | 175.2 | -55.6 | 174.2 | 0 | 0 | 0 | 107.4 | H12 H16 | H12-I14 PolarHBondContact O-N 3.08Å; H12-I14 VanDerWaalsContact O-N 3.09Å; I14-H16 VanDerWaalsContact CG2-CE1 3.47Å; I14-H16 WeakPolarHBondContact CG2-CE1 3.28Å; I14-H16 PolarHBondContact O-N 3.08Å; I14-H16 VanDerWaalsContact O-N 3.14Å | ||
| 15 | V | 56.7 | Low | 53.7 | Low | 107 Ų | 107 | 118.3 Ų | 118.3 | 65% | 0.648 | 67% | 0.665 | S | S | * | * | trans | -73.3 | 100.4 | 169.4 | -175.6 | 0 | 0 | 0 | 0 | 107.4 | Q13 V17 | Q13-V15 PolarHBondContact O-N 3.17Å; V15-V17 VanDerWaalsContact C-N 3.29Å; V15-V17 HydrophobicContact CG1-CG2 3.77Å; V15-V17 PolarHBondContact O-N 3.24Å | ||
| 16 | H | 53.3 | Low | 54.7 | Low | 167 Ų | 167 | 114 Ų | 114 | 77% | 0.773 | 65% | 0.645 | S | S | * | * | trans | -73.8 | 90 | 167.7 | -72.5 | 91.9 | 0 | 0 | 0 | 108.2 | I14 R18 | I14-H16 VanDerWaalsContact CG2-CE1 3.47Å; I14-H16 WeakPolarHBondContact CG2-CE1 3.28Å; I14-H16 PolarHBondContact O-N 3.08Å; I14-H16 VanDerWaalsContact O-N 3.14Å; H16-R18 PolarHBondContact O-N 2.95Å | ||
| 17 | V | 56.2 | Low | 55.6 | Low | 106 Ų | 106 | 109.3 Ų | 109.3 | 64% | 0.642 | 63% | 0.626 | S | S | * | * | trans | -70.6 | 110 | 167.9 | -177.3 | 0 | 0 | 0 | 0 | 106.5 | V15 G19 S21 | V15-V17 VanDerWaalsContact C-N 3.29Å; V15-V17 HydrophobicContact CG1-CG2 3.77Å; V15-V17 PolarHBondContact O-N 3.24Å; V17-G19 PolarHBondContact O-N 3.4Å; V17-S21 WeakPolarHBondContact CG1-OG 3.4Å | ||
| 18 | R | 56.1 | Low | 56.7 | Low | 134 Ų | 134 | 107 Ų | 107 | 51% | 0.506 | 61% | 0.613 | S | S | . | * | trans | -59 | 134 | 176.3 | -150.4 | -174.1 | 157.2 | 110.3 | -0.5 | 107.8 | H16 D20 S21 N50 | H16-R18 PolarHBondContact O-N 2.95Å; R18-D20 WeakPolarHBondContact CB-OD1 3.32Å; R18-D20 WeakPolarHBondContact CD-OD1 3.3Å; R18-D20 WeakPolarHBondContact CG-OD1 3.46Å; R18-D20 IonicContact CZ-OD2 3.82Å; R18-D20 IonicContact NE-OD1 3.88Å; R18-D20 PolarHBondContact NE-OD1 3.14Å; R18-D20 VanDerWaalsContact NE-OD1 3.16Å; R18-D20 IonicContact NE-OD2 3.27Å; R18-D20 PolarHBondContact NE-OD2 3.07Å; R18-D20 IonicContact NH2-OD2 3.01Å; R18-D20 PolarHBondContact O-N 3.49Å; R18-S21 VanDerWaalsContact O-CB 3.27Å; R18-S21 WeakPolarHBondContact O-CB 3.29Å; R18-S21 PolarHBondContact O-N 3.3Å; R18-S21 PolarHBondContact O-OG 3.37Å; R18-N50 PolarHBondContact NH2-ND2 3.35Å | ||
| 19 | G | 57.3 | Low | 57.8 | Low | 90 Ų | 90 | 109.5 Ų | 109.5 | 93% | 0.928 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -13 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V17 | V17-G19 PolarHBondContact O-N 3.4Š|
| 20 | D | 49.3 | Very low | 58.8 | Low | 72 Ų | 72 | 109.5 Ų | 109.5 | 39% | 0.385 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102 | -5.7 | 175.7 | 56.2 | -5.5 | 0 | 0 | 0 | 113.4 | R18 Q22 T23 D24 | R18-D20 WeakPolarHBondContact CB-OD1 3.32Å; R18-D20 WeakPolarHBondContact CD-OD1 3.3Å; R18-D20 WeakPolarHBondContact CG-OD1 3.46Å; R18-D20 IonicContact CZ-OD2 3.82Å; R18-D20 IonicContact NE-OD1 3.88Å; R18-D20 PolarHBondContact NE-OD1 3.14Å; R18-D20 VanDerWaalsContact NE-OD1 3.16Å; R18-D20 IonicContact NE-OD2 3.27Å; R18-D20 PolarHBondContact NE-OD2 3.07Å; R18-D20 IonicContact NH2-OD2 3.01Å; R18-D20 PolarHBondContact O-N 3.49Å; D20-Q22 VanDerWaalsContact C-N 3.31Å; D20-Q22 PolarHBondContact O-N 3.21Å; D20-T23 PolarHBondContact O-N 3.31Å; D20-T23 VanDerWaalsContact O-N 3.11Å; D20-D24 PolarHBondContact O-N 3.22Å |
| 21 | S | 53.5 | Low | 59.5 | Low | 31 Ų | 31 | 106 Ų | 106 | 22% | 0.217 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -65 | -30.7 | -171.5 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | V17 R18 L25 | V17-S21 WeakPolarHBondContact CG1-OG 3.4Å; R18-S21 VanDerWaalsContact O-CB 3.27Å; R18-S21 WeakPolarHBondContact O-CB 3.29Å; R18-S21 PolarHBondContact O-N 3.3Å; R18-S21 PolarHBondContact O-OG 3.37Å; S21-L25 VanDerWaalsContact O-CB 3.3Å; S21-L25 WeakPolarHBondContact O-CB 3.37Å; S21-L25 WeakPolarHBondContact O-CG 2.95Å; S21-L25 PolarHBondContact O-N 3.36Å |
| 22 | Q | 57.7 | Low | 60.3 | Low | 138 Ų | 138 | 107.5 Ų | 107.5 | 65% | 0.645 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.8 | -41.7 | 174.9 | -171.1 | 166.3 | -1.2 | 0 | 0 | 111 | D20 E26 | D20-Q22 VanDerWaalsContact C-N 3.31Å; D20-Q22 PolarHBondContact O-N 3.21Å; Q22-E26 WeakPolarHBondContact O-CB 3.41Å; Q22-E26 VanDerWaalsContact O-CG 3.31Å; Q22-E26 WeakPolarHBondContact O-CG 3.46Å; Q22-E26 PolarHBondContact O-N 3.4Å |
| 23 | T | 61.8 | Low | 61.5 | Low | 82 Ų | 82 | 106.3 Ų | 106.3 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.3 | -40.5 | 177.5 | -27.8 | 0 | 0 | 0 | 0 | 111.6 | D20 E26 L27 | D20-T23 PolarHBondContact O-N 3.31Å; D20-T23 VanDerWaalsContact O-N 3.11Å; T23-E26 PolarHBondContact O-N 2.87Å; T23-L27 WeakPolarHBondContact O-CB 3.47Å; T23-L27 WeakPolarHBondContact O-CG 3.3Å; T23-L27 PolarHBondContact O-N 3.49Å |
| 24 | D | 65.1 | Low | 62.4 | Low | 102 Ų | 102 | 102.1 Ų | 102.1 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.9 | -40.2 | 178.7 | -165.9 | 43 | 0 | 0 | 0 | 111.8 | D20 L27 L28 | D20-D24 PolarHBondContact O-N 3.22Å; D24-L27 PolarHBondContact O-N 2.77Å; D24-L28 WeakPolarHBondContact O-CB 3.4Å; D24-L28 PolarHBondContact O-N 3.46Å |
| 25 | L | 67.4 | Low | 62.5 | Low | 112 Ų | 112 | 101.2 Ų | 101.2 | 59% | 0.586 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.7 | -39.7 | 174.6 | -72.5 | 172.9 | 0 | 0 | 0 | 112.5 | S21 L27 L28 F29 | S21-L25 VanDerWaalsContact O-CB 3.3Å; S21-L25 WeakPolarHBondContact O-CB 3.37Å; S21-L25 WeakPolarHBondContact O-CG 2.95Å; S21-L25 PolarHBondContact O-N 3.36Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L25-L28 PolarHBondContact O-N 3.07Å; L25-F29 WeakPolarHBondContact O-CB 3.35Å; L25-F29 PolarHBondContact O-N 3.27Å |
| 26 | E | 67.4 | Low | 62.6 | Low | 108 Ų | 108 | 106.1 Ų | 106.1 | 51% | 0.505 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.9 | -36.8 | 174.1 | -77.4 | 177.4 | -168.3 | 0 | 0 | 112 | Q22 T23 F29 N30 | Q22-E26 WeakPolarHBondContact O-CB 3.41Å; Q22-E26 VanDerWaalsContact O-CG 3.31Å; Q22-E26 WeakPolarHBondContact O-CG 3.46Å; Q22-E26 PolarHBondContact O-N 3.4Å; T23-E26 PolarHBondContact O-N 2.87Å; E26-F29 PolarHBondContact O-N 3.36Å; E26-N30 VanDerWaalsContact O-CB 3.3Å; E26-N30 WeakPolarHBondContact O-CB 3.48Å; E26-N30 VanDerWaalsContact O-CG 3.32Å; E26-N30 PolarHBondContact O-N 3.14Å |
| 27 | L | 66.2 | Low | 62.7 | Low | 79 Ų | 79 | 102.4 Ų | 102.4 | 41% | 0.414 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.7 | -39 | 173.7 | -73.8 | 172.3 | 0 | 0 | 0 | 112.2 | T23 D24 L25 S31 | T23-L27 WeakPolarHBondContact O-CB 3.47Å; T23-L27 WeakPolarHBondContact O-CG 3.3Å; T23-L27 PolarHBondContact O-N 3.49Å; D24-L27 PolarHBondContact O-N 2.77Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L27-S31 WeakPolarHBondContact O-CB 3.31Å; L27-S31 PolarHBondContact O-N 3.22Å; L27-S31 PolarHBondContact O-OG 3.07Å |
| 28 | L | 69.8 | Low | 62.7 | Low | 111 Ų | 111 | 99.3 Ų | 99.3 | 58% | 0.581 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.8 | -45.2 | 174.2 | -172.2 | 67.6 | 0 | 0 | 0 | 110.7 | D24 L25 S31 V32 | D24-L28 WeakPolarHBondContact O-CB 3.4Å; D24-L28 PolarHBondContact O-N 3.46Å; L25-L28 PolarHBondContact O-N 3.07Å; L28-S31 PolarHBondContact O-N 3.41Å; L28-V32 PolarHBondContact O-N 2.93Å |
| 29 | F | 68.9 | Low | 62.8 | Low | 133 Ų | 133 | 100.9 Ų | 100.9 | 58% | 0.583 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64 | -44.8 | 177.7 | -164.6 | -96.7 | 0 | 0 | 0 | 111.8 | L25 E26 S31 V32 M33 | L25-F29 WeakPolarHBondContact O-CB 3.35Å; L25-F29 PolarHBondContact O-N 3.27Å; E26-F29 PolarHBondContact O-N 3.36Å; F29-S31 VanDerWaalsContact C-N 3.3Å; F29-S31 PolarHBondContact O-N 3.41Å; F29-V32 PolarHBondContact O-N 3.35Å; F29-M33 HydrophobicContact CD1-CG 3.89Å; F29-M33 HydrophobicContact CE1-CG 3.63Å; F29-M33 HydrophobicContact CE1-SD 4.47Å; F29-M33 HydrophobicContact CG-CG 4.48Å; F29-M33 HydrophobicContact CZ-CG 4Å; F29-M33 HydrophobicContact CZ-SD 4.33Å; F29-M33 WeakPolarHBondContact O-CB 3.37Å; F29-M33 VanDerWaalsContact O-CG 3.29Å; F29-M33 WeakPolarHBondContact O-CG 3.38Å; F29-M33 PolarHBondContact O-N 2.85Å |
| 30 | N | 67.9 | Low | 62.8 | Low | 96 Ų | 96 | 100 Ų | 100 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.2 | -31.7 | 175.8 | -78.8 | -17.9 | 0 | 0 | 0 | 112.9 | E26 V32 N34 | E26-N30 VanDerWaalsContact O-CB 3.3Å; E26-N30 WeakPolarHBondContact O-CB 3.48Å; E26-N30 VanDerWaalsContact O-CG 3.32Å; E26-N30 PolarHBondContact O-N 3.14Å; N30-V32 VanDerWaalsContact C-N 3.35Å; N30-N34 WeakPolarHBondContact O-CA 3.39Å; N30-N34 VanDerWaalsContact O-CB 3.3Å; N30-N34 WeakPolarHBondContact O-CB 3.45Å; N30-N34 PolarHBondContact O-N 2.95Å |
| 31 | S | 64.7 | Low | 63.1 | Low | 38 Ų | 38 | 100.4 Ų | 100.4 | 27% | 0.266 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.9 | -34.1 | 176.3 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | L27 L28 F29 S38 | L27-S31 WeakPolarHBondContact O-CB 3.31Å; L27-S31 PolarHBondContact O-N 3.22Å; L27-S31 PolarHBondContact O-OG 3.07Å; L28-S31 PolarHBondContact O-N 3.41Å; F29-S31 VanDerWaalsContact C-N 3.3Å; F29-S31 PolarHBondContact O-N 3.41Å; S31-S38 PolarHBondContact OG-OG 3.36Å |
| 32 | V | 69.6 | Low | 63.4 | Low | 110 Ų | 110 | 104.6 Ų | 104.6 | 67% | 0.667 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -77 | -42 | 175.9 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | L28 F29 N30 | L28-V32 PolarHBondContact O-N 2.93Å; F29-V32 PolarHBondContact O-N 3.35Å; N30-V32 VanDerWaalsContact C-N 3.35Å |
| 33 | M | 72.8 | Confident | 63.6 | Low | 118 Ų | 118 | 101.7 Ų | 101.7 | 58% | 0.581 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -79.3 | -28.7 | -176.8 | -63.2 | -61.4 | -78.9 | 0 | 0 | 112.9 | F29 | F29-M33 HydrophobicContact CD1-CG 3.89Å; F29-M33 HydrophobicContact CE1-CG 3.63Å; F29-M33 HydrophobicContact CE1-SD 4.47Å; F29-M33 HydrophobicContact CG-CG 4.48Å; F29-M33 HydrophobicContact CZ-CG 4Å; F29-M33 HydrophobicContact CZ-SD 4.33Å; F29-M33 WeakPolarHBondContact O-CB 3.37Å; F29-M33 VanDerWaalsContact O-CG 3.29Å; F29-M33 WeakPolarHBondContact O-CG 3.38Å; F29-M33 PolarHBondContact O-N 2.85Å |
| 34 | N | 68.9 | Low | 64.1 | Low | 92 Ų | 92 | 102.2 Ų | 102.2 | 49% | 0.492 | 57% | 0.574 | S | S | . | * | trans | -131.8 | 67.3 | -173.9 | -99.8 | 66.2 | 0 | 0 | 0 | 111.8 | N30 K36 S37 | N30-N34 WeakPolarHBondContact O-CA 3.39Å; N30-N34 VanDerWaalsContact O-CB 3.3Å; N30-N34 WeakPolarHBondContact O-CB 3.45Å; N30-N34 PolarHBondContact O-N 2.95Å; N34-K36 PolarHBondContact O-N 3.39Å; N34-S37 PolarHBondContact O-N 3.26Å; N34-S37 PolarHBondContact O-OG 3.15Å | ||
| 35 | P | 61.3 | Low | 64.7 | Low | 99 Ų | 99 | 100.5 Ų | 100.5 | 64% | 0.643 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -12.2 | -173.9 | 26.1 | -35.3 | 0 | 0 | 0 | 114.5 | ||
| 36 | K | 58.2 | Low | 65.2 | Low | 211 Ų | 211 | 98.9 Ų | 98.9 | 92% | 0.917 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -9.9 | -176.9 | -62.1 | 179 | -177.6 | 175.3 | 0 | 114.3 | N34 | N34-K36 PolarHBondContact O-N 3.39Š|
| 37 | S | 56.6 | Low | 65.4 | Low | 88 Ų | 88 | 103.9 Ų | 103.9 | 62% | 0.615 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | -5.9 | -178.5 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | N34 N39 | N34-S37 PolarHBondContact O-N 3.26Å; N34-S37 PolarHBondContact O-OG 3.15Å; S37-N39 PolarHBondContact O-N 3.03Å |
| 38 | S | 55.3 | Low | 65.8 | Low | 42 Ų | 42 | 106.1 Ų | 106.1 | 29% | 0.294 | 58% | 0.583 | S | S | . | * | trans | -88.1 | 96.4 | 179.2 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | S31 V40 | S31-S38 PolarHBondContact OG-OG 3.36Å; S38-V40 PolarHBondContact O-N 2.82Å; S38-V40 WeakPolarHBondContact OG-CB 3.12Å; S38-V40 WeakPolarHBondContact OG-CG2 3.46Å | ||
| 39 | N | 58.2 | Low | 66.4 | Low | 166 Ų | 166 | 106.6 Ų | 106.6 | 89% | 0.888 | 58% | 0.577 | S | S | * | * | trans | -86.2 | 43.6 | 164.7 | -154.1 | -29.1 | 0 | 0 | 0 | 109.6 | S37 | S37-N39 PolarHBondContact O-N 3.03Š| ||
| 40 | V | 57.3 | Low | 66.7 | Low | 73 Ų | 73 | 106.5 Ų | 106.5 | 44% | 0.442 | 58% | 0.583 | S | S | . | * | trans | -98.8 | 122.8 | 179.9 | -174.6 | 0 | 0 | 0 | 0 | 107.4 | S38 A42 | S38-V40 PolarHBondContact O-N 2.82Å; S38-V40 WeakPolarHBondContact OG-CB 3.12Å; S38-V40 WeakPolarHBondContact OG-CG2 3.46Å; V40-A42 PolarHBondContact O-N 2.99Å | ||
| 41 | P | 56 | Low | 67.5 | Low | 79 Ų | 79 | 104.4 Ų | 104.4 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | trans | -60 | 131.5 | 176.4 | 24.3 | -31.8 | 0 | 0 | 0 | 109.2 | S43 | P41-S43 PolarHBondContact O-N 3.1Š| ||
| 42 | A | 60.5 | Low | 68.3 | Low | 119 Ų | 119 | 106.6 Ų | 106.6 | 98% | 0.983 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -57.7 | -8.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V40 | V40-A42 PolarHBondContact O-N 2.99Š|
| 43 | S | 62.5 | Low | 68.5 | Low | 78 Ų | 78 | 106.9 Ų | 106.9 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -151 | 129.9 | 173.2 | 177.8 | 0 | 0 | 0 | 0 | 108.8 | P41 | P41-S43 PolarHBondContact O-N 3.1Š|
| 44 | L | 71.5 | Confident | 68.7 | Low | 93 Ų | 93 | 105.5 Ų | 105.5 | 49% | 0.487 | 58% | 0.584 | S | S | . | * | trans | -59.8 | 126.6 | 170.4 | -73.6 | 170.8 | 0 | 0 | 0 | 108.6 | M46 M48 R49 | L44-M46 PolarHBondContact O-N 2.74Å; L44-M48 HydrophobicContact CD2-CE 4.49Å; L44-R49 HydrophobicContact CB-CG 4.33Å | ||
| 45 | P | 77.4 | Confident | 69.4 | Low | 66 Ų | 66 | 106.6 Ų | 106.6 | 43% | 0.429 | 59% | 0.585 | S | S | . | * | trans | -48.8 | 140.4 | 175.9 | -25.9 | 32.2 | 0 | 0 | 0 | 110.3 | R47 M48 | P45-R47 PolarHBondContact O-N 2.85Å; P45-M48 HydrophobicContact CB-CG 4.41Å; P45-M48 HydrophobicContact CB-SD 4.43Å; P45-M48 HydrophobicContact CG-SD 3.92Å; P45-M48 WeakPolarHBondContact O-CA 3.43Å; P45-M48 WeakPolarHBondContact O-CB 3.49Å; P45-M48 PolarHBondContact O-N 2.94Å | ||
| 46 | M | 77.9 | Confident | 70.5 | Confident | 77 Ų | 77 | 105.3 Ų | 105.3 | 38% | 0.379 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -50.3 | -39.3 | -172.9 | -70.3 | -65.2 | -73.7 | 0 | 0 | 112.5 | L44 M48 R49 L51 F55 F56 | L44-M46 PolarHBondContact O-N 2.74Å; M46-M48 PolarHBondContact O-N 3.26Å; M46-R49 VanDerWaalsContact O-CB 3.3Å; M46-R49 WeakPolarHBondContact O-CB 3.33Å; M46-R49 PolarHBondContact O-N 3.1Å; M46-R49 VanDerWaalsContact SD-CD 3.52Å; M46-R49 PolarHBondContact SD-NH1 2.98Å; M46-R49 VanDerWaalsContact SD-NH1 3.36Å; M46-L51 HydrophobicContact CE-CD1 3.45Å; M46-L51 VanDerWaalsContact CE-CD1 3.45Å; M46-L51 HydrophobicContact SD-CD1 4.42Å; M46-F55 HydrophobicContact CE-CD1 4.43Å; M46-F55 HydrophobicContact CE-CE1 3.36Å; M46-F55 HydrophobicContact CE-CE2 4.41Å; M46-F55 HydrophobicContact CE-CZ 3.34Å; M46-F56 HydrophobicContact CB-CE1 3.87Å; M46-F56 HydrophobicContact CB-CZ 4.27Å; M46-F56 WeakPolarHBondContact O-CZ 3.24Å |
| 47 | R | 72.7 | Confident | 71.6 | Confident | 213 Ų | 213 | 101.8 Ų | 101.8 | 80% | 0.804 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -62.8 | -20.1 | 177.4 | -70.2 | 176.1 | 177.9 | 128.9 | -0.9 | 115.6 | P45 F56 | P45-R47 PolarHBondContact O-N 2.85Å; R47-F56 VanDerWaalsContact CA-CZ 3.45Å; R47-F56 HydrophobicContact CB-CE1 4.22Å; R47-F56 HydrophobicContact CB-CZ 4.41Å; R47-F56 HydrophobicContact CG-CD1 3.65Å; R47-F56 HydrophobicContact CG-CE1 3.56Å; R47-F56 HydrophobicContact CG-CG 4.34Å; R47-F56 HydrophobicContact CG-CZ 4.19Å |
| 48 | M | 73 | Confident | 72.4 | Confident | 127 Ų | 127 | 102.9 Ų | 102.9 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -95.7 | -4.2 | 176.9 | -63.8 | -179.1 | 66.5 | 0 | 0 | 112.3 | L44 P45 M46 | L44-M48 HydrophobicContact CD2-CE 4.49Å; P45-M48 HydrophobicContact CB-CG 4.41Å; P45-M48 HydrophobicContact CB-SD 4.43Å; P45-M48 HydrophobicContact CG-SD 3.92Å; P45-M48 WeakPolarHBondContact O-CA 3.43Å; P45-M48 WeakPolarHBondContact O-CB 3.49Å; P45-M48 PolarHBondContact O-N 2.94Å; M46-M48 PolarHBondContact O-N 3.26Å |
| 49 | R | 82.6 | Confident | 73.4 | Confident | 120 Ų | 120 | 106.7 Ų | 106.7 | 45% | 0.453 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -82.9 | 149.6 | 172.3 | -56.4 | 169.3 | 72.9 | 150.3 | -1.5 | 107.9 | L44 M46 L51 | L44-R49 HydrophobicContact CB-CG 4.33Å; M46-R49 VanDerWaalsContact O-CB 3.3Å; M46-R49 WeakPolarHBondContact O-CB 3.33Å; M46-R49 PolarHBondContact O-N 3.1Å; M46-R49 VanDerWaalsContact SD-CD 3.52Å; M46-R49 PolarHBondContact SD-NH1 2.98Å; M46-R49 VanDerWaalsContact SD-NH1 3.36Å; R49-L51 HydrophobicContact CB-CD1 4.14Å; R49-L51 HydrophobicContact CB-CG 4Å; R49-L51 PolarHBondContact O-N 2.64Å |
| 50 | N | 76.6 | Confident | 74.2 | Confident | 131 Ų | 131 | 107.1 Ų | 107.1 | 70% | 0.701 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -71.3 | 66.3 | 174.2 | -72.5 | 8.3 | 0 | 0 | 0 | 111.1 | R18 | R18-N50 PolarHBondContact NH2-ND2 3.35Š|
| 51 | L | 83.1 | Confident | 74.4 | Confident | 53 Ų | 53 | 109.6 Ų | 109.6 | 28% | 0.277 | 60% | 0.597 | S | S | . | * | trans | -101.8 | 144 | 174.7 | -64.8 | 174.6 | 0 | 0 | 0 | 108.8 | M46 R49 F55 F56 | M46-L51 HydrophobicContact CE-CD1 3.45Å; M46-L51 VanDerWaalsContact CE-CD1 3.45Å; M46-L51 HydrophobicContact SD-CD1 4.42Å; R49-L51 HydrophobicContact CB-CD1 4.14Å; R49-L51 HydrophobicContact CB-CG 4Å; R49-L51 PolarHBondContact O-N 2.64Å; L51-F55 HydrophobicContact CB-CB 4.26Å; L51-F55 HydrophobicContact CB-CD1 4.45Å; L51-F55 HydrophobicContact CB-CG 4.34Å; L51-F55 HydrophobicContact CD1-CD1 3.74Å; L51-F55 HydrophobicContact CD1-CE1 3.81Å; L51-F55 HydrophobicContact CD1-CG 4.15Å; L51-F55 HydrophobicContact CD1-CZ 4.26Å; L51-F56 HydrophobicContact CB-CE2 3.9Å; L51-F56 HydrophobicContact CB-CZ 4.1Å; L51-F56 HydrophobicContact CD1-CZ 4.04Å | ||
| 52 | P | 82.5 | Confident | 74.3 | Confident | 84 Ų | 84 | 114.4 Ų | 114.4 | 55% | 0.545 | 61% | 0.61 | S | S | . | * | trans | -62.1 | 146.8 | 177.3 | 25.5 | -33 | 0 | 0 | 0 | 110.7 | S54 F55 | P52-S54 PolarHBondContact O-N 3.13Å; P52-F55 WeakPolarHBondContact O-CB 3.21Å; P52-F55 PolarHBondContact O-N 3.38Å | ||
| 53 | D | 73.8 | Confident | 73.6 | Confident | 116 Ų | 116 | 114.3 Ų | 114.3 | 62% | 0.62 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -56.1 | -23.8 | -178.8 | -73.7 | -19.3 | 0 | 0 | 0 | 114 | F55 F56 K57 | D53-F55 PolarHBondContact O-N 3.16Å; D53-F56 PolarHBondContact O-N 2.94Å; D53-K57 WeakPolarHBondContact O-CG 3.37Å; D53-K57 PolarHBondContact O-N 3.34Å |
| 54 | S | 76 | Confident | 72.8 | Confident | 88 Ų | 88 | 118.6 Ų | 118.6 | 62% | 0.615 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -61.8 | -26 | 174 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | P52 F56 K57 | P52-S54 PolarHBondContact O-N 3.13Å; S54-F56 VanDerWaalsContact C-N 3.3Å; S54-F56 PolarHBondContact O-N 3.42Å; S54-K57 PolarHBondContact O-N 2.71Å |
| 55 | F | 84.3 | Confident | 71.4 | Confident | 116 Ų | 116 | 118.3 Ų | 118.3 | 51% | 0.509 | 62% | 0.619 | S | S | . | * | G | 310 helix | trans | -68.1 | -29.6 | 177.9 | -170.8 | -90.3 | 0 | 0 | 0 | 112.5 | M46 L51 P52 D53 | M46-F55 HydrophobicContact CE-CD1 4.43Å; M46-F55 HydrophobicContact CE-CE1 3.36Å; M46-F55 HydrophobicContact CE-CE2 4.41Å; M46-F55 HydrophobicContact CE-CZ 3.34Å; L51-F55 HydrophobicContact CB-CB 4.26Å; L51-F55 HydrophobicContact CB-CD1 4.45Å; L51-F55 HydrophobicContact CB-CG 4.34Å; L51-F55 HydrophobicContact CD1-CD1 3.74Å; L51-F55 HydrophobicContact CD1-CE1 3.81Å; L51-F55 HydrophobicContact CD1-CG 4.15Å; L51-F55 HydrophobicContact CD1-CZ 4.26Å; P52-F55 WeakPolarHBondContact O-CB 3.21Å; P52-F55 PolarHBondContact O-N 3.38Å; D53-F55 PolarHBondContact O-N 3.16Å |
| 56 | F | 84.3 | Confident | 69.9 | Low | 71 Ų | 71 | 126.7 Ų | 126.7 | 31% | 0.311 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.5 | -7.1 | -179.3 | -58.7 | -70.7 | 0 | 0 | 0 | 113.8 | M46 R47 L51 D53 S54 | M46-F56 HydrophobicContact CB-CE1 3.87Å; M46-F56 HydrophobicContact CB-CZ 4.27Å; M46-F56 WeakPolarHBondContact O-CZ 3.24Å; R47-F56 VanDerWaalsContact CA-CZ 3.45Å; R47-F56 HydrophobicContact CB-CE1 4.22Å; R47-F56 HydrophobicContact CB-CZ 4.41Å; R47-F56 HydrophobicContact CG-CD1 3.65Å; R47-F56 HydrophobicContact CG-CE1 3.56Å; R47-F56 HydrophobicContact CG-CG 4.34Å; R47-F56 HydrophobicContact CG-CZ 4.19Å; L51-F56 HydrophobicContact CB-CE2 3.9Å; L51-F56 HydrophobicContact CB-CZ 4.1Å; L51-F56 HydrophobicContact CD1-CZ 4.04Å; D53-F56 PolarHBondContact O-N 2.94Å; S54-F56 VanDerWaalsContact C-N 3.3Å; S54-F56 PolarHBondContact O-N 3.42Å |
| 57 | K | 80.8 | Confident | 68.2 | Low | 137 Ų | 137 | 131 Ų | 131 | 60% | 0.596 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -92 | 116.7 | 176.7 | -71.5 | 171.2 | -175.5 | 175.1 | 0 | 108 | D53 S54 | D53-K57 WeakPolarHBondContact O-CG 3.37Å; D53-K57 PolarHBondContact O-N 3.34Å; S54-K57 PolarHBondContact O-N 2.71Å |
| 58 | P | 74.1 | Confident | 66.8 | Low | 111 Ų | 111 | 124.9 Ų | 124.9 | 72% | 0.721 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 140.7 | 171.9 | 25.1 | -31.8 | 0 | 0 | 0 | 108.6 | E60 | P58-E60 PolarHBondContact O-N 3.4Š|
| 59 | P | 75.7 | Confident | 65.3 | Low | 122 Ų | 122 | 124.7 Ų | 124.7 | 79% | 0.792 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 133.5 | 175.6 | 23.6 | -32.5 | 0 | 0 | 0 | 108.6 | ||
| 60 | E | 75.2 | Confident | 63.2 | Low | 176 Ų | 176 | 125.6 Ų | 125.6 | 82% | 0.822 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 132.4 | 176.8 | -71.7 | 175.5 | 172.7 | 0 | 0 | 108.6 | P58 K62 | P58-E60 PolarHBondContact O-N 3.4Å; E60-K62 VanDerWaalsContact C-N 3.27Å; E60-K62 PolarHBondContact O-N 3.36Å |
| 61 | P | 61.7 | Low | 61.7 | Low | 125 Ų | 125 | 127 Ų | 127 | 81% | 0.812 | 69% | 0.694 | S | S | * | * | trans | -62.9 | 97.8 | 174.6 | 26.4 | -32.2 | 0 | 0 | 0 | 106.7 | S63 | P61-S63 VanDerWaalsContact C-N 3.33Å; P61-S63 PolarHBondContact O-N 3.3Å | ||
| 62 | K | 53.6 | Low | 59.6 | Low | 179 Ų | 179 | 128.5 Ų | 128.5 | 78% | 0.778 | 71% | 0.714 | S | S | * | * | trans | -57.8 | 105.5 | 167 | -96 | 173.6 | 175.8 | 169.9 | 0 | 105.6 | E60 H64 | E60-K62 VanDerWaalsContact C-N 3.27Å; E60-K62 PolarHBondContact O-N 3.36Å; K62-H64 PolarHBondContact O-CD2 2.86Å; K62-H64 PolarHBondContact O-N 3.45Å | ||
| 63 | S | 45.8 | Very low | 57.5 | Low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -52.1 | 98.1 | 159.5 | -82.4 | 0 | 0 | 0 | 0 | 106.7 | P61 S65 | P61-S63 VanDerWaalsContact C-N 3.33Å; P61-S63 PolarHBondContact O-N 3.3Å; S63-S65 PolarHBondContact O-N 3.45Å | ||
| 64 | H | 47 | Very low | 56 | Low | 169 Ų | 169 | 128.9 Ų | 128.9 | 78% | 0.782 | 74% | 0.74 | S | S | * | * | trans | -65.4 | 84.8 | 161.8 | -71.4 | -75.9 | 0 | 0 | 0 | 106.3 | K62 R66 | K62-H64 PolarHBondContact O-CD2 2.86Å; K62-H64 PolarHBondContact O-N 3.45Å; H64-R66 VanDerWaalsContact C-N 3.29Å; H64-R66 PolarHBondContact O-N 3.01Å | ||
| 65 | S | 40.9 | Very low | 54.4 | Low | 86 Ų | 86 | 128.4 Ų | 128.4 | 60% | 0.601 | 75% | 0.748 | S | S | * | * | trans | -63.6 | 95.5 | 169.8 | -160.1 | 0 | 0 | 0 | 0 | 106.4 | S63 Q67 | S63-S65 PolarHBondContact O-N 3.45Å; S65-Q67 PolarHBondContact O-N 2.77Å; S65-Q67 WeakPolarHBondContact OG-CG 3.38Å | ||
| 66 | R | 47.6 | Very low | 52.1 | Low | 242 Ų | 242 | 126.6 Ų | 126.6 | 91% | 0.913 | 76% | 0.763 | S | S | * | * | trans | -68.8 | 72.4 | 165.3 | -75 | -177.8 | 159.4 | -136.9 | -1.8 | 107.9 | H64 A68 | H64-R66 VanDerWaalsContact C-N 3.29Å; H64-R66 PolarHBondContact O-N 3.01Å; R66-A68 PolarHBondContact O-N 2.92Å; R66-A68 VanDerWaalsContact O-N 3.1Å | ||
| 67 | Q | 42.2 | Very low | 50.2 | Low | 168 Ų | 168 | 130 Ų | 130 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -80.5 | 82.5 | 162.6 | -60.5 | -150.5 | 2.2 | 0 | 0 | 107.3 | S65 S69 | S65-Q67 PolarHBondContact O-N 2.77Å; S65-Q67 WeakPolarHBondContact OG-CG 3.38Å; Q67-S69 PolarHBondContact O-N 2.99Å | ||
| 68 | A | 41.9 | Very low | 48.3 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 70% | 0.702 | 80% | 0.802 | S | S | * | * | trans | -71.2 | 120.6 | 158.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | R66 T70 | R66-A68 PolarHBondContact O-N 2.92Å; R66-A68 VanDerWaalsContact O-N 3.1Å; A68-T70 PolarHBondContact O-N 3.27Å; A68-T70 VanDerWaalsContact O-N 3.09Å | ||
| 69 | S | 41.8 | Very low | 47.1 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -64.7 | 106.2 | 174.7 | -49.7 | 0 | 0 | 0 | 0 | 109.5 | Q67 | Q67-S69 PolarHBondContact O-N 2.99Š| ||
| 70 | T | 39.2 | Very low | 45.7 | Very low | 139 Ų | 139 | 131 Ų | 131 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -92.5 | 95 | 160.9 | 46.4 | 0 | 0 | 0 | 0 | 108.1 | A68 | A68-T70 PolarHBondContact O-N 3.27Å; A68-T70 VanDerWaalsContact O-N 3.09Å | ||
| 71 | D | 44.4 | Very low | 43.9 | Very low | 160 Ų | 160 | 131 Ų | 131 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -84.2 | 117.1 | 148.8 | 176.2 | 54.2 | 0 | 0 | 0 | 106.8 | ||||
| 72 | A | 38.7 | Very low | 43 | Very low | 85 Ų | 85 | 133 Ų | 133 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | 164.2 | 115.7 | 144.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 73 | G | 38.5 | Very low | 42.7 | Very low | 74 Ų | 74 | 131.2 Ų | 131.2 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | 34.2 | 112.2 | 123.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 74 | S | 43.5 | Very low | 42.5 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 94% | 0.944 | 79% | 0.794 | S | S | * | * | trans | -24.4 | 127.6 | 153.1 | -178 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 75 | G | 40.6 | Very low | 42.3 | Very low | 77 Ų | 77 | 130.5 Ų | 130.5 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 137.8 | 116.2 | 147.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 76 | G | 36.1 | Very low | 42.4 | Very low | 79 Ų | 79 | 133.7 Ų | 133.7 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | 123.4 | 102 | 153.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | L78 | G76-L78 PolarHBondContact O-N 2.89Š| ||
| 77 | V | 46.1 | Very low | 42.1 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -54.6 | 119.8 | 165.3 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 78 | L | 40.8 | Very low | 42 | Very low | 168 Ų | 168 | 124.1 Ų | 124.1 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | trans | -151.5 | 144.3 | 149.1 | -71.6 | -175.6 | 0 | 0 | 0 | 110 | G76 | G76-L78 PolarHBondContact O-N 2.89Š| ||
| 79 | T | 48.3 | Very low | 42.1 | Very low | 111 Ų | 111 | 126 Ų | 126 | 68% | 0.681 | 79% | 0.787 | S | S | * | * | trans | -60.2 | 151.2 | -171.7 | 46.9 | 0 | 0 | 0 | 0 | 114.5 | H81 | T79-H81 PolarHBondContact O-N 3.36Å; T79-H81 VanDerWaalsContact O-N 3.1Å | ||
| 80 | P | 45.8 | Very low | 42.1 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -73.5 | 105 | 177.4 | 27.6 | -30.1 | 0 | 0 | 0 | 111 | H82 | P80-H82 PolarHBondContact O-N 3.19Š| ||
| 81 | H | 37 | Very low | 42.4 | Very low | 175 Ų | 175 | 123.6 Ų | 123.6 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -70.9 | 114.2 | 163.1 | -95.8 | -89.3 | 0 | 0 | 0 | 109.4 | T79 V83 | T79-H81 PolarHBondContact O-N 3.36Å; T79-H81 VanDerWaalsContact O-N 3.1Å; H81-V83 PolarHBondContact O-N 2.6Å | ||
| 82 | H | 42.7 | Very low | 42.5 | Very low | 169 Ų | 169 | 123.8 Ų | 123.8 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | trans | -68.1 | 113.6 | 167.8 | -53.6 | -90.2 | 0 | 0 | 0 | 108.9 | P80 R84 | P80-H82 PolarHBondContact O-N 3.19Å; H82-R84 PolarHBondContact O-N 3.2Å | ||
| 83 | V | 47.6 | Very low | 42.7 | Very low | 140 Ų | 140 | 128.8 Ų | 128.8 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -72.9 | 83.6 | 157.4 | -179.4 | 0 | 0 | 0 | 0 | 106.3 | H81 A85 | H81-V83 PolarHBondContact O-N 2.6Å; V83-A85 PolarHBondContact O-N 3.37Å; V83-A85 VanDerWaalsContact O-N 3.11Å | ||
| 84 | R | 42.8 | Very low | 42.9 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | trans | -65.1 | 105.3 | 162.4 | 173.3 | 171.4 | -93.8 | -172.1 | -6.7 | 105.7 | H82 H86 | H82-R84 PolarHBondContact O-N 3.2Å; R84-H86 PolarHBondContact O-CD2 2.94Å; R84-H86 PolarHBondContact O-N 3.45Å | ||
| 85 | A | 41.4 | Very low | 42.6 | Very low | 82 Ų | 82 | 130.4 Ų | 130.4 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | -61.6 | 104.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | V83 S87 | V83-A85 PolarHBondContact O-N 3.37Å; V83-A85 VanDerWaalsContact O-N 3.11Å; A85-S87 PolarHBondContact O-N 2.73Å | ||
| 86 | H | 43.5 | Very low | 42.5 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | trans | -74.7 | 74.9 | 173.2 | -63.7 | -96.9 | 0 | 0 | 0 | 108.7 | R84 S88 | R84-H86 PolarHBondContact O-CD2 2.94Å; R84-H86 PolarHBondContact O-N 3.45Å; H86-S88 VanDerWaalsContact C-N 3.27Å; H86-S88 PolarHBondContact O-N 3.36Å | ||
| 87 | S | 40.9 | Very low | 42.5 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -78.2 | 88.6 | 153.9 | 53.3 | 0 | 0 | 0 | 0 | 107 | A85 | A85-S87 PolarHBondContact O-N 2.73Š| ||
| 88 | S | 40.8 | Very low | 41.9 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 138.3 | 170.1 | -59.9 | 0 | 0 | 0 | 0 | 109.8 | H86 | H86-S88 VanDerWaalsContact C-N 3.27Å; H86-S88 PolarHBondContact O-N 3.36Å |
| 89 | P | 44.4 | Very low | 41.7 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 132.4 | 164.6 | 29.8 | -29.7 | 0 | 0 | 0 | 108.3 | S91 | P89-S91 PolarHBondContact O-N 3.49Š|
| 90 | A | 41.7 | Very low | 40.9 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 116.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L92 | A90-L92 PolarHBondContact O-N 2.85Š|
| 91 | S | 44.3 | Very low | 40.6 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 118.6 | 163.7 | -78.7 | 0 | 0 | 0 | 0 | 109.1 | P89 Q93 | P89-S91 PolarHBondContact O-N 3.49Å; S91-Q93 PolarHBondContact O-N 3.2Å |
| 92 | L | 47.5 | Very low | 40.6 | Very low | 165 Ų | 165 | 127.6 Ų | 127.6 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -67.2 | 107.6 | 167.2 | -70.6 | 165.6 | 0 | 0 | 0 | 108.6 | A90 | A90-L92 PolarHBondContact O-N 2.85Š| ||
| 93 | Q | 42.4 | Very low | 40.4 | Very low | 189 Ų | 189 | 125.7 Ų | 125.7 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -91.5 | 105.9 | 162.1 | -72.3 | -170.4 | -46.9 | 0 | 0 | 108.3 | S91 G95 | S91-Q93 PolarHBondContact O-N 3.2Å; Q93-G95 PolarHBondContact O-N 2.73Å | ||
| 94 | L | 42.2 | Very low | 39.7 | Very low | 171 Ų | 171 | 122.8 Ų | 122.8 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | -65.7 | 110.2 | 158.2 | -87 | 88 | 0 | 0 | 0 | 107.7 | ||||
| 95 | G | 38.2 | Very low | 39.4 | Very low | 73 Ų | 73 | 122.7 Ų | 122.7 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -102.2 | 106.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q93 | Q93-G95 PolarHBondContact O-N 2.73Š| ||
| 96 | A | 37.8 | Very low | 39 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | trans | -59.2 | 142.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 97 | V | 36.5 | Very low | 38.6 | Very low | 139 Ų | 139 | 122 Ų | 122 | 84% | 0.842 | 83% | 0.831 | S | S | * | * | trans | -79.7 | 125.2 | 169.3 | -57.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 98 | S | 32.9 | Very low | 38.3 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | trans | -157.3 | 134.1 | 159.3 | -78.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 99 | G | 36.1 | Very low | 37.9 | Very low | 89 Ų | 89 | 120.1 Ų | 120.1 | 92% | 0.918 | 83% | 0.834 | S | S | * | * | trans | -77.6 | 178.1 | -160.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 100 | G | 32.4 | Very low | 37.5 | Very low | 76 Ų | 76 | 119.4 Ų | 119.4 | 78% | 0.784 | 84% | 0.839 | S | S | * | * | trans | 153.7 | 100.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 101 | S | 39.5 | Very low | 37.1 | Very low | 106 Ų | 106 | 119.4 Ų | 119.4 | 74% | 0.741 | 83% | 0.833 | S | S | * | * | trans | -36.5 | 141.1 | 161.3 | 172.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 102 | L | 36.7 | Very low | 37 | Very low | 171 Ų | 171 | 120 Ų | 120 | 90% | 0.895 | 83% | 0.834 | S | S | * | * | trans | -166.6 | 133.6 | 134 | -56.8 | -176.7 | 0 | 0 | 0 | 111.2 | ||||
| 103 | S | 38.8 | Very low | 36.4 | Very low | 128 Ų | 128 | 120.7 Ų | 120.7 | 90% | 0.895 | 83% | 0.833 | S | S | * | * | trans | -70.5 | 149.8 | 169.8 | -54.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 104 | G | 33 | Very low | 36.3 | Very low | 80 Ų | 80 | 120 Ų | 120 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | 175.4 | 115.9 | 166 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 105 | M | 37.1 | Very low | 36.3 | Very low | 187 Ų | 187 | 118.2 Ų | 118.2 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -70 | 143.9 | 176.9 | 61 | 115.7 | 128 | 0 | 0 | 113.8 | ||||
| 106 | A | 33.2 | Very low | 36.5 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -176 | 154.8 | 142.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 107 | S | 34.3 | Very low | 36.7 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | trans | -86 | 166.1 | -165.1 | -174.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 108 | A | 34.7 | Very low | 36.8 | Very low | 100 Ų | 100 | 126 Ų | 126 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | 80.2 | 122.2 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 109 | G | 31.8 | Very low | 37.1 | Very low | 69 Ų | 69 | 125.3 Ų | 125.3 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | 133.2 | 78.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S111 | G109-S111 PolarHBondContact O-N 2.82Š| ||
| 110 | A | 37.2 | Very low | 38 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -58.9 | 105.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 111 | S | 33 | Very low | 39.2 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | -90.6 | 125.9 | 164.9 | 25.9 | 0 | 0 | 0 | 0 | 107.1 | G109 Q113 | G109-S111 PolarHBondContact O-N 2.82Å; S111-Q113 PolarHBondContact O-N 3.09Å | ||
| 112 | P | 41.1 | Very low | 40.6 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | trans | -68.8 | 103.3 | 168 | 27.4 | -28.8 | 0 | 0 | 0 | 106.6 | H114 | P112-H114 VanDerWaalsContact C-N 3.31Å; P112-H114 PolarHBondContact O-N 3.05Å | ||
| 113 | Q | 35.8 | Very low | 42.1 | Very low | 180 Ų | 180 | 124.4 Ų | 124.4 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | trans | -55.2 | 105.4 | 156.7 | -79.6 | -172.7 | -41.4 | 0 | 0 | 105.8 | S111 L115 | S111-Q113 PolarHBondContact O-N 3.09Å; Q113-L115 PolarHBondContact O-N 3.47Å | ||
| 114 | H | 39.3 | Very low | 43.3 | Very low | 173 Ų | 173 | 122.8 Ų | 122.8 | 80% | 0.801 | 72% | 0.724 | S | S | * | * | trans | -67.5 | 90.5 | 164.3 | -154.1 | -100.6 | 0 | 0 | 0 | 105 | P112 R116 | P112-H114 VanDerWaalsContact C-N 3.31Å; P112-H114 PolarHBondContact O-N 3.05Å; H114-R116 VanDerWaalsContact C-N 3.31Å; H114-R116 PolarHBondContact O-N 2.77Å | ||
| 115 | L | 43.7 | Very low | 45 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 71% | 0.707 | 73% | 0.725 | S | S | * | * | trans | -48.6 | 102.9 | 169.2 | -170.7 | 67 | 0 | 0 | 0 | 105 | Q113 Q117 | Q113-L115 PolarHBondContact O-N 3.47Å; L115-Q117 VanDerWaalsContact C-N 3.34Å; L115-Q117 PolarHBondContact O-N 3.38Å | ||
| 116 | R | 41.1 | Very low | 47 | Very low | 226 Ų | 226 | 120.8 Ų | 120.8 | 85% | 0.853 | 70% | 0.701 | S | S | * | * | trans | -51.6 | 112.6 | 167.5 | -79.7 | -178.4 | 127.4 | -124 | 0 | 103.5 | H114 S118 | H114-R116 VanDerWaalsContact C-N 3.31Å; H114-R116 PolarHBondContact O-N 2.77Å; R116-S118 PolarHBondContact O-N 2.71Å | ||
| 117 | Q | 41.9 | Very low | 49.3 | Very low | 171 Ų | 171 | 121.3 Ų | 121.3 | 80% | 0.799 | 70% | 0.695 | S | S | * | * | trans | -55.7 | 98.7 | 173.4 | -68.1 | 170.9 | 9.5 | 0 | 0 | 104.6 | L115 S119 | L115-Q117 VanDerWaalsContact C-N 3.34Å; L115-Q117 PolarHBondContact O-N 3.38Å; Q117-S119 PolarHBondContact O-N 3.44Å | ||
| 118 | S | 38.7 | Very low | 51.6 | Low | 78 Ų | 78 | 118 Ų | 118 | 55% | 0.545 | 67% | 0.668 | S | S | . | * | trans | -50.2 | 116.3 | 160.6 | 23.2 | 0 | 0 | 0 | 0 | 103.5 | R116 Y120 | R116-S118 PolarHBondContact O-N 2.71Å; S118-Y120 VanDerWaalsContact C-N 3.34Å; S118-Y120 WeakPolarHBondContact O-CD2 3.3Å; S118-Y120 PolarHBondContact O-N 2.85Å | ||
| 119 | S | 40.6 | Very low | 54 | Low | 109 Ų | 109 | 115.3 Ų | 115.3 | 76% | 0.762 | 64% | 0.642 | S | S | * | * | trans | -48.4 | 111.4 | 165.8 | -161 | 0 | 0 | 0 | 0 | 104.6 | Q117 E121 | Q117-S119 PolarHBondContact O-N 3.44Å; S119-E121 PolarHBondContact O-N 2.76Å | ||
| 120 | Y | 55.1 | Low | 56.4 | Low | 148 Ų | 148 | 117 Ų | 117 | 58% | 0.58 | 65% | 0.65 | S | S | * | * | trans | -67.5 | 86 | -178.5 | -84.6 | -93.7 | 0 | 0 | 0 | 106.6 | S118 I122 Q178 | S118-Y120 VanDerWaalsContact C-N 3.34Å; S118-Y120 WeakPolarHBondContact O-CD2 3.3Å; S118-Y120 PolarHBondContact O-N 2.85Å; Y120-I122 PolarHBondContact O-N 2.78Å; Y120-Q178 PolarHBondContact OH-NE2 3.36Å | ||
| 121 | E | 57.7 | Low | 58.5 | Low | 172 Ų | 172 | 113.1 Ų | 113.1 | 80% | 0.804 | 62% | 0.62 | S | S | * | * | trans | -80 | 105.4 | 167.5 | -166.8 | 160.5 | -159.4 | 0 | 0 | 105.2 | S119 P123 | S119-E121 PolarHBondContact O-N 2.76Å; E121-P123 WeakPolarHBondContact O-CD 3.44Å | ||
| 122 | I | 68.5 | Low | 61 | Low | 15 Ų | 15 | 112 Ų | 112 | 8% | 0.077 | 60% | 0.601 | C | S | . | * | trans | -64.9 | 125.4 | 177.1 | -68.9 | 93 | 0 | 0 | 0 | 107.1 | Y120 D124 V126 R170 K171 L174 | Y120-I122 PolarHBondContact O-N 2.78Å; I122-D124 PolarHBondContact O-N 2.77Å; I122-V126 HydrophobicContact CG2-CB 3.91Å; I122-V126 HydrophobicContact CG2-CG2 3.99Å; I122-R170 HydrophobicContact CG1-CB 4.3Å; I122-R170 HydrophobicContact CG2-CB 4.41Å; I122-K171 HydrophobicContact CD1-CB 4.27Å; I122-K171 HydrophobicContact CD1-CD 4.15Å; I122-K171 HydrophobicContact CD1-CG 3.19Å; I122-L174 HydrophobicContact CD1-CD1 4.08Å; I122-L174 HydrophobicContact CG1-CD1 3.36Å | ||
| 123 | P | 67.9 | Low | 63.2 | Low | 89 Ų | 89 | 110.6 Ų | 110.6 | 58% | 0.578 | 58% | 0.583 | S | S | * | * | trans | -52.9 | 137.3 | 172.8 | -26 | 35 | 0 | 0 | 0 | 110.8 | E121 D125 V126 R170 | E121-P123 WeakPolarHBondContact O-CD 3.44Å; P123-D125 PolarHBondContact O-N 2.99Å; P123-V126 PolarHBondContact O-N 3.04Å; P123-V126 VanDerWaalsContact O-N 3.16Å; P123-R170 PolarHBondContact O-NH1 3.09Å | ||
| 124 | D | 63.3 | Low | 65.6 | Low | 94 Ų | 94 | 105 Ų | 105 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.1 | -11 | 179.6 | -79.3 | -32.2 | 0 | 0 | 0 | 113.9 | I122 V126 R142 | I122-D124 PolarHBondContact O-N 2.77Å; D124-V126 VanDerWaalsContact C-N 3.32Å; D124-R142 VanDerWaalsContact CG-NH1 3.28Å; D124-R142 IonicContact OD1-CZ 3.13Å; D124-R142 IonicContact OD1-NH1 2.66Å; D124-R142 PolarHBondContact OD1-NH1 2.88Å; D124-R142 IonicContact OD1-NH2 3.73Å; D124-R142 IonicContact OD2-CZ 2.64Å; D124-R142 IonicContact OD2-NH1 2.99Å; D124-R142 PolarHBondContact OD2-NH1 2.66Å; D124-R142 VanDerWaalsContact OD2-NH1 3.13Å; D124-R142 IonicContact OD2-NH2 2.74Å; D124-R142 PolarHBondContact OD2-NH2 3.21Å |
| 125 | D | 68.9 | Low | 67.8 | Low | 156 Ų | 156 | 97.9 Ų | 97.9 | 83% | 0.834 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -11.6 | 179.8 | -143.7 | 15.9 | 0 | 0 | 0 | 113.9 | P123 | P123-D125 PolarHBondContact O-N 2.99Š|
| 126 | V | 78.5 | Confident | 69.7 | Low | 69 Ų | 69 | 97.2 Ų | 97.2 | 42% | 0.418 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -85.2 | 119.2 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | I122 P123 D124 R170 | I122-V126 HydrophobicContact CG2-CB 3.91Å; I122-V126 HydrophobicContact CG2-CG2 3.99Å; P123-V126 PolarHBondContact O-N 3.04Å; P123-V126 VanDerWaalsContact O-N 3.16Å; D124-V126 VanDerWaalsContact C-N 3.32Å; V126-R170 PolarHBondContact O-NH1 2.82Å |
| 127 | P | 81.5 | Confident | 71.6 | Confident | 113 Ų | 113 | 88.3 Ų | 88.3 | 73% | 0.734 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 144 | -179.4 | 25.4 | -33.6 | 0 | 0 | 0 | 111.7 | ||
| 128 | L | 84.3 | Confident | 73.4 | Confident | 48 Ų | 48 | 88 Ų | 88 | 25% | 0.251 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 151.5 | 174.3 | -73.5 | 152.1 | 0 | 0 | 0 | 110.8 | W132 M134 F144 P169 R170 | L128-W132 HydrophobicContact CB-CB 4.21Å; L128-M134 HydrophobicContact CD1-CB 3.48Å; L128-M134 VanDerWaalsContact CD1-CB 3.48Å; L128-F144 HydrophobicContact CD2-CD1 3.62Å; L128-F144 HydrophobicContact CD2-CE1 3.65Å; L128-P169 HydrophobicContact CD2-CG 3.96Å; L128-R170 HydrophobicContact CD2-CG 4.36Å |
| 129 | P | 84.5 | Confident | 75.6 | Confident | 45 Ų | 45 | 88.2 Ų | 88.2 | 29% | 0.292 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 153.7 | 175.6 | -22.2 | 33.8 | 0 | 0 | 0 | 112.1 | G131 W132 P169 | P129-G131 PolarHBondContact O-N 3.43Å; P129-W132 HydrophobicContact CB-CG 4.41Å; P129-W132 VanDerWaalsContact O-CB 3.3Å; P129-W132 WeakPolarHBondContact O-CB 3.25Å; P129-W132 PolarHBondContact O-N 3.11Å; P129-P169 HydrophobicContact CG-CB 4.11Å; P129-P169 HydrophobicContact CG-CG 4.1Å |
| 130 | A | 81.1 | Confident | 77.7 | Confident | 105 Ų | 105 | 85.2 Ų | 85.2 | 87% | 0.868 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 133.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | W132 | A130-W132 VanDerWaalsContact C-N 3.32Š|
| 131 | G | 81.4 | Confident | 78.8 | Confident | 26 Ų | 26 | 83.5 Ų | 83.5 | 27% | 0.268 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 14.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P129 K146 L147 | P129-G131 PolarHBondContact O-N 3.43Å; G131-K146 CarbonylContact O-C 3.6Å; G131-K146 WeakPolarHBondContact O-CA 3.43Å; G131-L147 WeakPolarHBondContact O-CA 3.11Å; G131-L147 PolarHBondContact O-N 2.72Å |
| 132 | W | 85.8 | Confident | 80.2 | Confident | 76 Ų | 76 | 79.8 Ų | 79.8 | 29% | 0.288 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138.2 | 170.6 | -68.5 | 77.5 | 0 | 0 | 0 | 111.1 | L128 P129 A130 F144 L145 K146 T165 P169 | L128-W132 HydrophobicContact CB-CB 4.21Å; P129-W132 HydrophobicContact CB-CG 4.41Å; P129-W132 VanDerWaalsContact O-CB 3.3Å; P129-W132 WeakPolarHBondContact O-CB 3.25Å; P129-W132 PolarHBondContact O-N 3.11Å; A130-W132 VanDerWaalsContact C-N 3.32Å; W132-F144 HydrophobicContact CE3-CB 3.95Å; W132-F144 HydrophobicContact CZ3-CB 4.05Å; W132-L145 CarbonylContact C-O 3.54Å; W132-L145 WeakPolarHBondContact CA-O 3.46Å; W132-K146 HydrophobicContact CZ2-CB 4.49Å; W132-K146 HydrophobicContact CZ2-CD 4.39Å; W132-K146 HydrophobicContact CZ2-CG 4.36Å; W132-T165 HydrophobicContact CH2-CG2 3.91Å; W132-T165 HydrophobicContact CZ3-CG2 3.43Å; W132-T165 VanDerWaalsContact CZ3-CG2 3.43Å; W132-P169 HydrophobicContact CB-CG 4.3Å; W132-P169 HydrophobicContact CD2-CB 3.77Å; W132-P169 HydrophobicContact CD2-CG 3.58Å; W132-P169 HydrophobicContact CE3-CB 3.88Å; W132-P169 HydrophobicContact CE3-CG 3.52Å; W132-P169 HydrophobicContact CG-CB 4.36Å; W132-P169 HydrophobicContact CG-CG 3.94Å; W132-P169 HydrophobicContact CH2-CB 3.95Å; W132-P169 HydrophobicContact CH2-CG 4.47Å; W132-P169 HydrophobicContact CZ2-CB 3.87Å; W132-P169 HydrophobicContact CZ3-CB 3.94Å; W132-P169 HydrophobicContact CZ3-CG 3.96Å |
| 133 | E | 86.8 | Confident | 80.8 | Confident | 95 Ų | 95 | 82 Ų | 82 | 44% | 0.444 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 143.2 | 175.5 | -177.1 | 178.6 | 174 | 0 | 0 | 108.9 | F144 L145 L147 | E133-F144 CarbonylContact O-C 3.53Å; E133-F144 WeakPolarHBondContact O-CA 3.3Å; E133-L145 HydrophobicContact CB-CB 4.34Å; E133-L145 HydrophobicContact CB-CD1 4.25Å; E133-L145 HydrophobicContact CG-CD1 4.26Å; E133-L145 PolarHBondContact N-O 3.2Å; E133-L145 PolarHBondContact O-N 3.13Å; E133-L147 HydrophobicContact CB-CD1 4.19Å; E133-L147 HydrophobicContact CB-CG 4.5Å |
| 134 | M | 88.1 | Confident | 81.8 | Confident | 63 Ų | 63 | 78.1 Ų | 78.1 | 31% | 0.31 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.3 | 171.3 | 174.9 | -167.6 | 66.5 | 0 | 0 | 108.7 | L128 R142 Y143 F144 | L128-M134 HydrophobicContact CD1-CB 3.48Å; L128-M134 VanDerWaalsContact CD1-CB 3.48Å; M134-R142 HydrophobicContact SD-CG 4.39Å; M134-Y143 WeakPolarHBondContact CA-O 3.16Å; M134-F144 HydrophobicContact CB-CD1 3.86Å; M134-F144 HydrophobicContact CB-CE1 3.83Å; M134-F144 HydrophobicContact CG-CD1 4.19Å; M134-F144 HydrophobicContact CG-CE1 3.82Å; M134-F144 HydrophobicContact CG-CZ 4.41Å; M134-F144 HydrophobicContact SD-CE1 4.28Å |
| 135 | A | 83.6 | Confident | 82.9 | Confident | 22 Ų | 22 | 74.9 Ų | 74.9 | 18% | 0.182 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 169 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R142 Y143 L145 | A135-R142 WeakPolarHBondContact O-CA 3.16Å; A135-Y143 HydrophobicContact CB-CD1 4.16Å; A135-Y143 HydrophobicContact CB-CD2 4.36Å; A135-Y143 HydrophobicContact CB-CE1 3.53Å; A135-Y143 HydrophobicContact CB-CE2 3.77Å; A135-Y143 WeakPolarHBondContact CB-OH 3.39Å; A135-Y143 PolarHBondContact N-O 2.91Å; A135-Y143 WeakPolarHBondContact O-CD1 3.18Å; A135-Y143 PolarHBondContact O-N 3.27Å; A135-Y143 VanDerWaalsContact O-O 3.1Å; A135-L145 HydrophobicContact CB-CD1 3.58Å |
| 136 | K | 84.4 | Confident | 83.5 | Confident | 122 Ų | 122 | 71.6 Ų | 71.6 | 53% | 0.53 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 141.5 | 178 | -65.3 | 177.7 | -175.3 | 174.2 | 0 | 109.9 | Q141 R142 | K136-Q141 CarbonylContact C-O 3.48Å; K136-Q141 VanDerWaalsContact CA-O 3.24Å; K136-Q141 WeakPolarHBondContact CA-O 3.42Å; K136-R142 HydrophobicContact CG-CG 4.1Å |
| 137 | T | 81.6 | Confident | 83.5 | Confident | 39 Ų | 39 | 71 Ų | 71 | 24% | 0.239 | 40% | 0.401 | C | S | . | . | trans | -68.4 | 167.8 | 167.8 | 60.5 | 0 | 0 | 0 | 0 | 110.2 | S139 G140 Q141 Y143 W166 | T137-S139 PolarHBondContact O-N 3.01Å; T137-S139 PolarHBondContact OG1-N 2.91Å; T137-S139 PolarHBondContact OG1-OG 2.9Å; T137-G140 WeakPolarHBondContact O-CA 3.36Å; T137-G140 PolarHBondContact O-N 3.42Å; T137-G140 PolarHBondContact OG1-N 3.3Å; T137-Q141 HydrophobicContact CG2-CB 4.25Å; T137-Q141 PolarHBondContact N-O 3.31Å; T137-Q141 WeakPolarHBondContact OG1-CB 3.37Å; T137-Q141 PolarHBondContact OG1-N 3.25Å; T137-Q141 PolarHBondContact OG1-O 3.29Å; T137-Y143 HydrophobicContact CG2-CD1 4.13Å; T137-Y143 HydrophobicContact CG2-CE1 4.33Å; T137-W166 HydrophobicContact CG2-CH2 3.6Å; T137-W166 HydrophobicContact CG2-CZ3 4.16Å | ||
| 138 | T | 79.6 | Confident | 82.5 | Confident | 163 Ų | 163 | 72 Ų | 72 | 100% | 1 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -25.9 | 169.2 | 47.3 | 0 | 0 | 0 | 0 | 112.9 | G140 | T138-G140 VanDerWaalsContact C-N 3.29Š|
| 139 | S | 85.5 | Confident | 81 | Confident | 84 Ų | 84 | 78 Ų | 78 | 59% | 0.587 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 2.3 | 172 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | T137 Q141 | T137-S139 PolarHBondContact O-N 3.01Å; T137-S139 PolarHBondContact OG1-N 2.91Å; T137-S139 PolarHBondContact OG1-OG 2.9Å; S139-Q141 VanDerWaalsContact C-N 3.33Å; S139-Q141 PolarHBondContact O-N 3.21Å |
| 140 | G | 83.5 | Confident | 79.4 | Confident | 45 Ų | 45 | 79.5 Ų | 79.5 | 46% | 0.464 | 43% | 0.432 | S | S | . | . | trans | 81 | 4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | T137 T138 | T137-G140 WeakPolarHBondContact O-CA 3.36Å; T137-G140 PolarHBondContact O-N 3.42Å; T137-G140 PolarHBondContact OG1-N 3.3Å; T138-G140 VanDerWaalsContact C-N 3.29Å | ||
| 141 | Q | 78.7 | Confident | 78.1 | Confident | 113 Ų | 113 | 83.9 Ų | 83.9 | 53% | 0.528 | 43% | 0.434 | S | S | . | . | trans | -72.9 | 133.8 | 177.6 | -61.3 | -178.1 | 13.7 | 0 | 0 | 110.4 | K136 T137 S139 W166 | K136-Q141 CarbonylContact C-O 3.48Å; K136-Q141 VanDerWaalsContact CA-O 3.24Å; K136-Q141 WeakPolarHBondContact CA-O 3.42Å; T137-Q141 HydrophobicContact CG2-CB 4.25Å; T137-Q141 PolarHBondContact N-O 3.31Å; T137-Q141 WeakPolarHBondContact OG1-CB 3.37Å; T137-Q141 PolarHBondContact OG1-N 3.25Å; T137-Q141 PolarHBondContact OG1-O 3.29Å; S139-Q141 VanDerWaalsContact C-N 3.33Å; S139-Q141 PolarHBondContact O-N 3.21Å; Q141-W166 HydrophobicContact CB-CZ3 3.92Å | ||
| 142 | R | 86.2 | Confident | 76.8 | Confident | 94 Ų | 94 | 93.1 Ų | 93.1 | 36% | 0.355 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 133.5 | -177.7 | -61.6 | 172.1 | -177.3 | -156.5 | -6.1 | 110.3 | D124 M134 A135 K136 W166 | D124-R142 VanDerWaalsContact CG-NH1 3.28Å; D124-R142 IonicContact OD1-CZ 3.13Å; D124-R142 IonicContact OD1-NH1 2.66Å; D124-R142 PolarHBondContact OD1-NH1 2.88Å; D124-R142 IonicContact OD1-NH2 3.73Å; D124-R142 IonicContact OD2-CZ 2.64Å; D124-R142 IonicContact OD2-NH1 2.99Å; D124-R142 PolarHBondContact OD2-NH1 2.66Å; D124-R142 VanDerWaalsContact OD2-NH1 3.13Å; D124-R142 IonicContact OD2-NH2 2.74Å; D124-R142 PolarHBondContact OD2-NH2 3.21Å; M134-R142 HydrophobicContact SD-CG 4.39Å; A135-R142 WeakPolarHBondContact O-CA 3.16Å; K136-R142 HydrophobicContact CG-CG 4.1Å; R142-W166 VanDerWaalsContact O-CE3 3.26Å |
| 143 | Y | 82.6 | Confident | 75.2 | Confident | 60 Ų | 60 | 98.7 Ų | 98.7 | 24% | 0.235 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 159.8 | 170.7 | 67.9 | -81.8 | 0 | 0 | 0 | 109.9 | M134 A135 T137 L145 T164 W166 | M134-Y143 WeakPolarHBondContact CA-O 3.16Å; A135-Y143 HydrophobicContact CB-CD1 4.16Å; A135-Y143 HydrophobicContact CB-CD2 4.36Å; A135-Y143 HydrophobicContact CB-CE1 3.53Å; A135-Y143 HydrophobicContact CB-CE2 3.77Å; A135-Y143 WeakPolarHBondContact CB-OH 3.39Å; A135-Y143 PolarHBondContact N-O 2.91Å; A135-Y143 WeakPolarHBondContact O-CD1 3.18Å; A135-Y143 PolarHBondContact O-N 3.27Å; A135-Y143 VanDerWaalsContact O-O 3.1Å; T137-Y143 HydrophobicContact CG2-CD1 4.13Å; T137-Y143 HydrophobicContact CG2-CE1 4.33Å; Y143-L145 HydrophobicContact CD2-CD1 4Å; Y143-L145 HydrophobicContact CD2-CG 4.13Å; Y143-L145 HydrophobicContact CE2-CD1 3.59Å; Y143-L145 HydrophobicContact CE2-CD2 4.05Å; Y143-L145 HydrophobicContact CE2-CG 3.77Å; Y143-T164 HydrophobicContact CD2-CG2 4.25Å; Y143-T164 HydrophobicContact CE2-CG2 4.23Å; Y143-W166 HydrophobicContact CD1-CZ3 4.47Å; Y143-W166 HydrophobicContact CG-CZ3 4.47Å |
| 144 | F | 88.4 | Confident | 73.5 | Confident | 9 Ų | 9 | 103.2 Ų | 103.2 | 4% | 0.039 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 131.8 | -174.9 | -56.5 | -87.3 | 0 | 0 | 0 | 110 | L128 W132 E133 M134 T164 T165 D168 | L128-F144 HydrophobicContact CD2-CD1 3.62Å; L128-F144 HydrophobicContact CD2-CE1 3.65Å; W132-F144 HydrophobicContact CE3-CB 3.95Å; W132-F144 HydrophobicContact CZ3-CB 4.05Å; E133-F144 CarbonylContact O-C 3.53Å; E133-F144 WeakPolarHBondContact O-CA 3.3Å; M134-F144 HydrophobicContact CB-CD1 3.86Å; M134-F144 HydrophobicContact CB-CE1 3.83Å; M134-F144 HydrophobicContact CG-CD1 4.19Å; M134-F144 HydrophobicContact CG-CE1 3.82Å; M134-F144 HydrophobicContact CG-CZ 4.41Å; M134-F144 HydrophobicContact SD-CE1 4.28Å; F144-T164 CarbonylContact O-C 3.56Å; F144-T164 WeakPolarHBondContact O-CA 3.4Å; F144-T165 HydrophobicContact CB-CG2 4.1Å; F144-T165 PolarHBondContact N-O 3.44Å; F144-T165 PolarHBondContact O-N 3.38Å; F144-D168 HydrophobicContact CD2-CB 4.28Å; F144-D168 HydrophobicContact CE1-CB 4.16Å; F144-D168 HydrophobicContact CE2-CB 3.51Å; F144-D168 HydrophobicContact CZ-CB 3.43Å; F144-D168 VanDerWaalsContact CZ-CB 3.43Å; F144-D168 VanDerWaalsContact CZ-CG 3.43Å; F144-D168 WeakPolarHBondContact CZ-OD2 3.46Å |
| 145 | L | 84.9 | Confident | 71.4 | Confident | 26 Ų | 26 | 106.8 Ų | 106.8 | 14% | 0.136 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 128.3 | 177 | -51.6 | 93.1 | 0 | 0 | 0 | 109.2 | W132 E133 A135 Y143 S163 T164 | W132-L145 CarbonylContact C-O 3.54Å; W132-L145 WeakPolarHBondContact CA-O 3.46Å; E133-L145 HydrophobicContact CB-CB 4.34Å; E133-L145 HydrophobicContact CB-CD1 4.25Å; E133-L145 HydrophobicContact CG-CD1 4.26Å; E133-L145 PolarHBondContact N-O 3.2Å; E133-L145 PolarHBondContact O-N 3.13Å; A135-L145 HydrophobicContact CB-CD1 3.58Å; Y143-L145 HydrophobicContact CD2-CD1 4Å; Y143-L145 HydrophobicContact CD2-CG 4.13Å; Y143-L145 HydrophobicContact CE2-CD1 3.59Å; Y143-L145 HydrophobicContact CE2-CD2 4.05Å; Y143-L145 HydrophobicContact CE2-CG 3.77Å; L145-S163 CarbonylContact C-O 3.56Å; L145-S163 WeakPolarHBondContact CA-O 2.97Å; L145-T164 HydrophobicContact CD2-CG2 4.13Å; L145-T164 HydrophobicContact CG-CG2 4.13Å |
| 146 | K | 83 | Confident | 69.8 | Low | 86 Ų | 86 | 114.2 Ų | 114.2 | 37% | 0.374 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.5 | 107.6 | 169.7 | -172.2 | -174.4 | 179.1 | -165.9 | 0 | 108.5 | G131 W132 Q148 S163 | G131-K146 CarbonylContact O-C 3.6Å; G131-K146 WeakPolarHBondContact O-CA 3.43Å; W132-K146 HydrophobicContact CZ2-CB 4.49Å; W132-K146 HydrophobicContact CZ2-CD 4.39Å; W132-K146 HydrophobicContact CZ2-CG 4.36Å; K146-Q148 PolarHBondContact O-N 3.48Å; K146-S163 PolarHBondContact N-O 3.16Å; K146-S163 PolarHBondContact O-N 2.88Å |
| 147 | L | 78.6 | Confident | 68.1 | Low | 57 Ų | 57 | 113.2 Ų | 113.2 | 30% | 0.298 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.5 | 97.1 | 172.1 | -58.2 | 178.6 | 0 | 0 | 0 | 108.7 | G131 E133 K149 K162 | G131-L147 WeakPolarHBondContact O-CA 3.11Å; G131-L147 PolarHBondContact O-N 2.72Å; E133-L147 HydrophobicContact CB-CD1 4.19Å; E133-L147 HydrophobicContact CB-CG 4.5Å; L147-K149 PolarHBondContact O-N 3.15Å; L147-K149 VanDerWaalsContact O-N 3.1Å; L147-K162 HydrophobicContact CD2-CG 4.07Å |
| 148 | Q | 60.7 | Low | 66.5 | Low | 134 Ų | 134 | 115.3 Ų | 115.3 | 63% | 0.626 | 59% | 0.591 | S | S | * | * | trans | -80 | 92 | 173.5 | -156.9 | 153.6 | -23.7 | 0 | 0 | 108.2 | K146 S150 | K146-Q148 PolarHBondContact O-N 3.48Å; Q148-S150 PolarHBondContact O-N 3.39Å; Q148-S150 VanDerWaalsContact O-N 3.1Å | ||
| 149 | K | 52.3 | Low | 64.7 | Low | 175 Ų | 175 | 114.3 Ų | 114.3 | 76% | 0.761 | 58% | 0.575 | S | S | * | * | trans | -67.5 | 107.3 | 173.2 | -67.4 | -174.8 | -178.6 | -177 | 0 | 108.1 | L147 E151 | L147-K149 PolarHBondContact O-N 3.15Å; L147-K149 VanDerWaalsContact O-N 3.1Å; K149-E151 PolarHBondContact O-N 3.02Å | ||
| 150 | S | 50.1 | Low | 62.5 | Low | 76 Ų | 76 | 116 Ų | 116 | 53% | 0.531 | 58% | 0.577 | S | S | . | * | trans | -73.1 | 106.8 | 168.1 | 45.5 | 0 | 0 | 0 | 0 | 108.6 | Q148 R152 | Q148-S150 PolarHBondContact O-N 3.39Å; Q148-S150 VanDerWaalsContact O-N 3.1Å; S150-R152 PolarHBondContact O-N 3.15Å | ||
| 151 | E | 54.2 | Low | 61.1 | Low | 196 Ų | 196 | 119 Ų | 119 | 92% | 0.916 | 58% | 0.583 | S | S | * | * | trans | -70.3 | 21 | 173.1 | -68.7 | 177.3 | 147.2 | 0 | 0 | 113.4 | K149 | K149-E151 PolarHBondContact O-N 3.02Š| ||
| 152 | R | 53.7 | Low | 60.3 | Low | 220 Ų | 220 | 118.9 Ų | 118.9 | 83% | 0.83 | 58% | 0.581 | S | S | * | * | trans | -102.3 | 89.4 | 172 | -72.2 | -160.6 | -139.5 | 103.3 | 2.8 | 109.8 | S150 Q154 | S150-R152 PolarHBondContact O-N 3.15Å; R152-Q154 PolarHBondContact O-N 3.26Å | ||
| 153 | E | 53.1 | Low | 59.7 | Low | 194 Ų | 194 | 117.9 Ų | 117.9 | 91% | 0.907 | 59% | 0.588 | S | S | * | * | trans | -64.7 | 79.9 | 161.4 | -70.9 | 178.3 | 149.4 | 0 | 0 | 109.9 | ||||
| 154 | Q | 50 | Low | 59.6 | Low | 189 Ų | 189 | 119.2 Ų | 119.2 | 88% | 0.883 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 175.8 | 56.8 | 155.3 | -104.5 | 167.6 | 14.3 | 0 | 0 | 111 | R152 | R152-Q154 PolarHBondContact O-N 3.26Š|
| 155 | D | 45.5 | Very low | 59.2 | Low | 139 Ų | 139 | 121 Ų | 121 | 74% | 0.743 | 61% | 0.614 | S | S | * | * | trans | -159.5 | 98.6 | 147.8 | -144 | -11.2 | 0 | 0 | 0 | 109.7 | S157 | D155-S157 VanDerWaalsContact C-N 3.33Å; D155-S157 PolarHBondContact O-N 3.43Å; D155-S157 VanDerWaalsContact O-N 3.15Å | ||
| 156 | I | 49.8 | Very low | 59.3 | Low | 177 Ų | 177 | 127.1 Ų | 127.1 | 91% | 0.908 | 64% | 0.635 | S | S | * | * | trans | -86 | 79.6 | 178.7 | -52.2 | 169.2 | 0 | 0 | 0 | 106.7 | ||||
| 157 | S | 48.5 | Very low | 59.4 | Low | 102 Ų | 102 | 128.4 Ų | 128.4 | 71% | 0.713 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -157.7 | -31.9 | 166.6 | -179.1 | 0 | 0 | 0 | 0 | 115.3 | D155 | D155-S157 VanDerWaalsContact C-N 3.33Å; D155-S157 PolarHBondContact O-N 3.43Å; D155-S157 VanDerWaalsContact O-N 3.15Å |
| 158 | S | 47 | Very low | 59.7 | Low | 83 Ų | 83 | 126.5 Ų | 126.5 | 58% | 0.58 | 63% | 0.633 | S | S | * | * | trans | -158.8 | 108.2 | -170.1 | -62.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 159 | H | 41.6 | Very low | 60.7 | Low | 141 Ų | 141 | 121 Ų | 121 | 65% | 0.653 | 61% | 0.609 | S | S | * | * | trans | -177.6 | 84.2 | 150.4 | -90.2 | -55.2 | 0 | 0 | 0 | 108.7 | D161 | H159-D161 IonicContact CE1-OD2 3.04Å; H159-D161 IonicContact ND1-OD2 3.16Å; H159-D161 PolarHBondContact ND1-OD2 3.45Å | ||
| 160 | N | 40 | Very low | 62.2 | Low | 120 Ų | 120 | 113.2 Ų | 113.2 | 64% | 0.642 | 58% | 0.575 | S | S | * | * | trans | -111.7 | 50.7 | 169.8 | -102.2 | -14.4 | 0 | 0 | 0 | 108.4 | K162 | N160-K162 HydrophobicContact CB-CD 3.97Å; N160-K162 PolarHBondContact ND2-NZ 2.85Å; N160-K162 PolarHBondContact O-N 2.65Å; N160-K162 WeakPolarHBondContact OD1-CE 3.27Å; N160-K162 PolarHBondContact OD1-NZ 3.26Å | ||
| 161 | D | 55.1 | Low | 63.6 | Low | 109 Ų | 109 | 113.9 Ų | 113.9 | 58% | 0.583 | 57% | 0.568 | S | S | * | * | trans | -73.7 | 66.2 | 177.3 | -66.1 | -35 | 0 | 0 | 0 | 109.9 | H159 S163 | H159-D161 IonicContact CE1-OD2 3.04Å; H159-D161 IonicContact ND1-OD2 3.16Å; H159-D161 PolarHBondContact ND1-OD2 3.45Å; D161-S163 PolarHBondContact O-N 3.33Å | ||
| 162 | K | 61.2 | Low | 64.6 | Low | 110 Ų | 110 | 107.5 Ų | 107.5 | 48% | 0.478 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 107.5 | 172.7 | -65.5 | 131.4 | 174.8 | -167 | 0 | 106.6 | L147 N160 | L147-K162 HydrophobicContact CD2-CG 4.07Å; N160-K162 HydrophobicContact CB-CD 3.97Å; N160-K162 PolarHBondContact ND2-NZ 2.85Å; N160-K162 PolarHBondContact O-N 2.65Å; N160-K162 WeakPolarHBondContact OD1-CE 3.27Å; N160-K162 PolarHBondContact OD1-NZ 3.26Å |
| 163 | S | 72.9 | Confident | 65.4 | Low | 73 Ų | 73 | 102.9 Ų | 102.9 | 51% | 0.51 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 127.9 | 172.8 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | L145 K146 D161 | L145-S163 CarbonylContact C-O 3.56Å; L145-S163 WeakPolarHBondContact CA-O 2.97Å; K146-S163 PolarHBondContact N-O 3.16Å; K146-S163 PolarHBondContact O-N 2.88Å; D161-S163 PolarHBondContact O-N 3.33Å |
| 164 | T | 80.3 | Confident | 66.1 | Low | 88 Ų | 88 | 97.5 Ų | 97.5 | 54% | 0.54 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 139 | 176.4 | 57.7 | 0 | 0 | 0 | 0 | 110.7 | Y143 F144 L145 | Y143-T164 HydrophobicContact CD2-CG2 4.25Å; Y143-T164 HydrophobicContact CE2-CG2 4.23Å; F144-T164 CarbonylContact O-C 3.56Å; F144-T164 WeakPolarHBondContact O-CA 3.4Å; L145-T164 HydrophobicContact CD2-CG2 4.13Å; L145-T164 HydrophobicContact CG-CG2 4.13Å |
| 165 | T | 81.2 | Confident | 66.7 | Low | 46 Ų | 46 | 96.2 Ų | 96.2 | 28% | 0.282 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 148.7 | 173.4 | 179.2 | 0 | 0 | 0 | 0 | 111 | W132 F144 Q167 | W132-T165 HydrophobicContact CH2-CG2 3.91Å; W132-T165 HydrophobicContact CZ3-CG2 3.43Å; W132-T165 VanDerWaalsContact CZ3-CG2 3.43Å; F144-T165 HydrophobicContact CB-CG2 4.1Å; F144-T165 PolarHBondContact N-O 3.44Å; F144-T165 PolarHBondContact O-N 3.38Å; T165-Q167 VanDerWaalsContact C-N 3.31Å; T165-Q167 PolarHBondContact OG1-N 2.99Å |
| 166 | W | 86.3 | Confident | 67.3 | Low | 154 Ų | 154 | 94.7 Ų | 94.7 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -83.8 | -11.5 | 175 | -63.9 | 104.1 | 0 | 0 | 0 | 112.8 | T137 Q141 R142 Y143 | T137-W166 HydrophobicContact CG2-CH2 3.6Å; T137-W166 HydrophobicContact CG2-CZ3 4.16Å; Q141-W166 HydrophobicContact CB-CZ3 3.92Å; R142-W166 VanDerWaalsContact O-CE3 3.26Å; Y143-W166 HydrophobicContact CD1-CZ3 4.47Å; Y143-W166 HydrophobicContact CG-CZ3 4.47Å |
| 167 | Q | 85.1 | Confident | 67.6 | Low | 114 Ų | 114 | 90.4 Ų | 90.4 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -92.9 | 123.7 | -177.7 | -158 | 70 | 79.1 | 0 | 0 | 111 | T165 | T165-Q167 VanDerWaalsContact C-N 3.31Å; T165-Q167 PolarHBondContact OG1-N 2.99Å |
| 168 | D | 85 | Confident | 67.8 | Low | 16 Ų | 16 | 91.4 Ų | 91.4 | 9% | 0.086 | 49% | 0.486 | C | S | . | . | trans | -62.1 | 120.9 | 174.4 | -169.7 | -32.4 | 0 | 0 | 0 | 111.3 | F144 R170 K171 | F144-D168 HydrophobicContact CD2-CB 4.28Å; F144-D168 HydrophobicContact CE1-CB 4.16Å; F144-D168 HydrophobicContact CE2-CB 3.51Å; F144-D168 HydrophobicContact CZ-CB 3.43Å; F144-D168 VanDerWaalsContact CZ-CB 3.43Å; F144-D168 VanDerWaalsContact CZ-CG 3.43Å; F144-D168 WeakPolarHBondContact CZ-OD2 3.46Å; D168-R170 PolarHBondContact O-N 3.5Å; D168-R170 WeakPolarHBondContact OD1-CB 2.92Å; D168-R170 VanDerWaalsContact OD1-CG 3.25Å; D168-R170 WeakPolarHBondContact OD1-CG 3.49Å; D168-R170 PolarHBondContact OD1-N 2.85Å; D168-R170 IonicContact OD1-NE 3.8Å; D168-R170 PolarHBondContact OD1-NE 3.06Å; D168-R170 IonicContact OD2-CZ 2.74Å; D168-R170 VanDerWaalsContact OD2-CZ 3.22Å; D168-R170 IonicContact OD2-NE 3.98Å; D168-R170 PolarHBondContact OD2-NE 2.99Å; D168-R170 IonicContact OD2-NH2 3.31Å; D168-R170 PolarHBondContact OD2-NH2 3.23Å; D168-K171 HydrophobicContact CB-CD 4.18Å; D168-K171 HydrophobicContact CB-CG 4.11Å; D168-K171 WeakPolarHBondContact O-CB 3.07Å; D168-K171 PolarHBondContact O-N 3.37Å; D168-K171 VanDerWaalsContact O-N 3.13Å | ||
| 169 | P | 82.4 | Confident | 67.5 | Low | 18 Ų | 18 | 93.6 Ų | 93.6 | 12% | 0.117 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -62.6 | -23.8 | -180 | 30 | -40 | 0 | 0 | 0 | 113 | L128 P129 W132 K171 A172 L173 | L128-P169 HydrophobicContact CD2-CG 3.96Å; P129-P169 HydrophobicContact CG-CB 4.11Å; P129-P169 HydrophobicContact CG-CG 4.1Å; W132-P169 HydrophobicContact CB-CG 4.3Å; W132-P169 HydrophobicContact CD2-CB 3.77Å; W132-P169 HydrophobicContact CD2-CG 3.58Å; W132-P169 HydrophobicContact CE3-CB 3.88Å; W132-P169 HydrophobicContact CE3-CG 3.52Å; W132-P169 HydrophobicContact CG-CB 4.36Å; W132-P169 HydrophobicContact CG-CG 3.94Å; W132-P169 HydrophobicContact CH2-CB 3.95Å; W132-P169 HydrophobicContact CH2-CG 4.47Å; W132-P169 HydrophobicContact CZ2-CB 3.87Å; W132-P169 HydrophobicContact CZ3-CB 3.94Å; W132-P169 HydrophobicContact CZ3-CG 3.96Å; P169-K171 VanDerWaalsContact C-N 3.26Å; P169-K171 PolarHBondContact O-N 2.74Å; P169-A172 PolarHBondContact O-N 3.31Å; P169-L173 PolarHBondContact O-N 3.14Å |
| 170 | R | 83.1 | Confident | 67.6 | Low | 13 Ų | 13 | 91.2 Ų | 91.2 | 5% | 0.049 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -66.5 | -28.7 | 177.8 | -57.9 | 173.4 | -66 | 172.6 | 5.6 | 111.7 | I122 P123 V126 L128 D168 A172 L173 L174 | I122-R170 HydrophobicContact CG1-CB 4.3Å; I122-R170 HydrophobicContact CG2-CB 4.41Å; P123-R170 PolarHBondContact O-NH1 3.09Å; V126-R170 PolarHBondContact O-NH1 2.82Å; L128-R170 HydrophobicContact CD2-CG 4.36Å; D168-R170 PolarHBondContact O-N 3.5Å; D168-R170 WeakPolarHBondContact OD1-CB 2.92Å; D168-R170 VanDerWaalsContact OD1-CG 3.25Å; D168-R170 WeakPolarHBondContact OD1-CG 3.49Å; D168-R170 PolarHBondContact OD1-N 2.85Å; D168-R170 IonicContact OD1-NE 3.8Å; D168-R170 PolarHBondContact OD1-NE 3.06Å; D168-R170 IonicContact OD2-CZ 2.74Å; D168-R170 VanDerWaalsContact OD2-CZ 3.22Å; D168-R170 IonicContact OD2-NE 3.98Å; D168-R170 PolarHBondContact OD2-NE 2.99Å; D168-R170 IonicContact OD2-NH2 3.31Å; D168-R170 PolarHBondContact OD2-NH2 3.23Å; R170-A172 VanDerWaalsContact C-N 3.32Å; R170-A172 PolarHBondContact O-N 3.42Å; R170-L173 PolarHBondContact O-N 3.03Å; R170-L174 WeakPolarHBondContact O-CG 3.21Å; R170-L174 PolarHBondContact O-N 2.72Å |
| 171 | K | 79.8 | Confident | 67.7 | Low | 89 Ų | 89 | 90.6 Ų | 90.6 | 39% | 0.387 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 175.5 | -69.6 | -179.7 | 78.9 | -177.2 | 0 | 112 | I122 D168 P169 L173 Q175 | I122-K171 HydrophobicContact CD1-CB 4.27Å; I122-K171 HydrophobicContact CD1-CD 4.15Å; I122-K171 HydrophobicContact CD1-CG 3.19Å; D168-K171 HydrophobicContact CB-CD 4.18Å; D168-K171 HydrophobicContact CB-CG 4.11Å; D168-K171 WeakPolarHBondContact O-CB 3.07Å; D168-K171 PolarHBondContact O-N 3.37Å; D168-K171 VanDerWaalsContact O-N 3.13Å; P169-K171 VanDerWaalsContact C-N 3.26Å; P169-K171 PolarHBondContact O-N 2.74Å; K171-L173 VanDerWaalsContact C-N 3.34Å; K171-Q175 WeakPolarHBondContact O-CB 3.46Å; K171-Q175 PolarHBondContact O-N 3.32Å; K171-Q175 VanDerWaalsContact O-N 3.15Å |
| 172 | A | 74.6 | Confident | 66.9 | Low | 62 Ų | 62 | 92 Ų | 92 | 51% | 0.512 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P169 R170 T176 | P169-A172 PolarHBondContact O-N 3.31Å; R170-A172 VanDerWaalsContact C-N 3.32Å; R170-A172 PolarHBondContact O-N 3.42Å; A172-T176 PolarHBondContact O-OG1 2.85Å |
| 173 | L | 70.8 | Confident | 65.9 | Low | 123 Ų | 123 | 91.2 Ų | 91.2 | 64% | 0.644 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.1 | -46 | 177.7 | -173.7 | 63.5 | 0 | 0 | 0 | 111.9 | P169 R170 K171 Q175 T176 | P169-L173 PolarHBondContact O-N 3.14Å; R170-L173 PolarHBondContact O-N 3.03Å; K171-L173 VanDerWaalsContact C-N 3.34Å; L173-Q175 VanDerWaalsContact C-N 3.3Å; L173-Q175 PolarHBondContact O-N 3.01Å; L173-T176 WeakPolarHBondContact O-CB 3.46Å; L173-T176 PolarHBondContact O-N 3.27Å; L173-T176 VanDerWaalsContact O-N 3.15Å |
| 174 | L | 68.3 | Low | 64.6 | Low | 82 Ų | 82 | 93.9 Ų | 93.9 | 43% | 0.429 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.7 | -30.4 | 180 | -70.4 | 169.9 | 0 | 0 | 0 | 113.3 | I122 R170 T176 S177 | I122-L174 HydrophobicContact CD1-CD1 4.08Å; I122-L174 HydrophobicContact CG1-CD1 3.36Å; R170-L174 WeakPolarHBondContact O-CG 3.21Å; R170-L174 PolarHBondContact O-N 2.72Å; L174-T176 PolarHBondContact O-N 3.25Å; L174-S177 PolarHBondContact O-N 2.98Å; L174-S177 PolarHBondContact O-OG 3.41Å |
| 175 | Q | 62.8 | Low | 62.8 | Low | 161 Ų | 161 | 94.3 Ų | 94.3 | 75% | 0.752 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.1 | -23.9 | 175.5 | -169.7 | 167 | 52.2 | 0 | 0 | 112.6 | K171 L173 | K171-Q175 WeakPolarHBondContact O-CB 3.46Å; K171-Q175 PolarHBondContact O-N 3.32Å; K171-Q175 VanDerWaalsContact O-N 3.15Å; L173-Q175 VanDerWaalsContact C-N 3.3Å; L173-Q175 PolarHBondContact O-N 3.01Å |
| 176 | T | 58 | Low | 60.6 | Low | 107 Ų | 107 | 98.4 Ų | 98.4 | 66% | 0.656 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -79 | -22.3 | 177.4 | -61 | 0 | 0 | 0 | 0 | 112.7 | A172 L173 L174 | A172-T176 PolarHBondContact O-OG1 2.85Å; L173-T176 WeakPolarHBondContact O-CB 3.46Å; L173-T176 PolarHBondContact O-N 3.27Å; L173-T176 VanDerWaalsContact O-N 3.15Å; L174-T176 PolarHBondContact O-N 3.25Å |
| 177 | S | 55.7 | Low | 58.3 | Low | 87 Ų | 87 | 97 Ų | 97 | 61% | 0.608 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 10 | -174.2 | 44.5 | 0 | 0 | 0 | 0 | 116 | L174 | L174-S177 PolarHBondContact O-N 2.98Å; L174-S177 PolarHBondContact O-OG 3.41Å |
| 178 | Q | 53.8 | Low | 55.9 | Low | 123 Ų | 123 | 99.4 Ų | 99.4 | 58% | 0.575 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -88.9 | 134.6 | 175.4 | -71.1 | -165.2 | -23.2 | 0 | 0 | 112.1 | Y120 A180 | Y120-Q178 PolarHBondContact OH-NE2 3.36Å; Q178-A180 PolarHBondContact O-N 2.98Å |
| 179 | P | 40 | Very low | 53.7 | Low | 129 Ų | 129 | 103.6 Ų | 103.6 | 84% | 0.838 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -68 | 121.7 | 174.1 | 26.5 | -31.2 | 0 | 0 | 0 | 110.4 | ||
| 180 | A | 42.9 | Very low | 51.5 | Low | 91 Ų | 91 | 112.3 Ų | 112.3 | 75% | 0.752 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 146.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q178 | Q178-A180 PolarHBondContact O-N 2.98Š|
| 181 | P | 41.6 | Very low | 49.3 | Very low | 108 Ų | 108 | 116.7 Ų | 116.7 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 149.8 | 165 | 29.2 | -32.6 | 0 | 0 | 0 | 110.9 | S183 | P181-S183 PolarHBondContact O-N 2.87Š|
| 182 | P | 40.2 | Very low | 47.6 | Very low | 139 Ų | 139 | 120.8 Ų | 120.8 | 90% | 0.903 | 71% | 0.713 | S | S | * | * | trans | -76.7 | 97.5 | -177.7 | 31.1 | -33.4 | 0 | 0 | 0 | 110.4 | ||||
| 183 | S | 40.1 | Very low | 45.8 | Very low | 92 Ų | 92 | 124.2 Ų | 124.2 | 64% | 0.643 | 72% | 0.72 | S | S | * | * | trans | -131.1 | 125.2 | 160.2 | 58.1 | 0 | 0 | 0 | 0 | 110.3 | P181 V185 | P181-S183 PolarHBondContact O-N 2.87Å; S183-V185 VanDerWaalsContact C-N 3.33Å; S183-V185 PolarHBondContact O-N 2.85Å | ||
| 184 | S | 44.6 | Very low | 44.6 | Very low | 129 Ų | 129 | 121.3 Ų | 121.3 | 90% | 0.902 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -72.4 | 78.7 | -173.3 | -39.6 | 0 | 0 | 0 | 0 | 111.4 | ||
| 185 | V | 42.6 | Very low | 43.6 | Very low | 98 Ų | 98 | 122.7 Ų | 122.7 | 59% | 0.594 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -150.1 | 130.1 | 156.2 | -80.1 | 0 | 0 | 0 | 0 | 107.1 | S183 V187 | S183-V185 VanDerWaalsContact C-N 3.33Å; S183-V185 PolarHBondContact O-N 2.85Å; V185-V187 VanDerWaalsContact C-N 3.34Å; V185-V187 HydrophobicContact CG2-CG2 4.11Å; V185-V187 PolarHBondContact O-N 2.93Å |
| 186 | P | 35.4 | Very low | 42.6 | Very low | 132 Ų | 132 | 116.8 Ų | 116.8 | 86% | 0.857 | 70% | 0.698 | S | S | * | * | trans | -69.9 | 93.6 | 178.9 | 28.3 | -32 | 0 | 0 | 0 | 109.1 | Q188 | P186-Q188 VanDerWaalsContact C-N 3.35Å; P186-Q188 PolarHBondContact O-N 2.79Å | ||
| 187 | V | 37.4 | Very low | 42.3 | Very low | 124 Ų | 124 | 118.8 Ų | 118.8 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | trans | -83.4 | 88.7 | 165.7 | -169.1 | 0 | 0 | 0 | 0 | 106.1 | V185 | V185-V187 VanDerWaalsContact C-N 3.34Å; V185-V187 HydrophobicContact CG2-CG2 4.11Å; V185-V187 PolarHBondContact O-N 2.93Å | ||
| 188 | Q | 33.9 | Very low | 42.4 | Very low | 165 Ų | 165 | 116.3 Ų | 116.3 | 77% | 0.771 | 69% | 0.693 | S | S | * | * | trans | -55.7 | 138.3 | 162.9 | -76.1 | 179.6 | -18.4 | 0 | 0 | 108 | P186 Q190 | P186-Q188 VanDerWaalsContact C-N 3.35Å; P186-Q188 PolarHBondContact O-N 2.79Å; Q188-Q190 PolarHBondContact O-N 2.79Å | ||
| 189 | P | 40.1 | Very low | 43.2 | Very low | 104 Ų | 104 | 116.5 Ų | 116.5 | 68% | 0.675 | 71% | 0.705 | S | S | * | * | trans | -56 | 121.5 | 174.4 | 23.5 | -30.9 | 0 | 0 | 0 | 107 | N191 | P189-N191 PolarHBondContact O-N 2.84Š| ||
| 190 | Q | 35.5 | Very low | 45.1 | Very low | 200 Ų | 200 | 112.3 Ų | 112.3 | 94% | 0.935 | 68% | 0.675 | S | S | * | * | trans | -67.6 | 79.9 | 171.4 | -77.2 | -167.5 | -45.4 | 0 | 0 | 107.7 | Q188 | Q188-Q190 PolarHBondContact O-N 2.79Š| ||
| 191 | N | 37.8 | Very low | 47 | Very low | 105 Ų | 105 | 110.4 Ų | 110.4 | 56% | 0.561 | 66% | 0.655 | S | S | * | * | trans | -49.1 | 154.9 | 157.3 | -155.4 | -54.6 | 0 | 0 | 0 | 107.9 | P189 M193 | P189-N191 PolarHBondContact O-N 2.84Å; N191-M193 PolarHBondContact O-N 3.34Å; N191-M193 WeakPolarHBondContact OD1-CE 3.3Å | ||
| 192 | L | 43.8 | Very low | 48.7 | Very low | 175 Ų | 175 | 113 Ų | 113 | 92% | 0.916 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -67.7 | 32.4 | 178.6 | -149.1 | 70.9 | 0 | 0 | 0 | 113 | ||
| 193 | M | 36.3 | Very low | 50.9 | Low | 134 Ų | 134 | 111 Ų | 111 | 66% | 0.66 | 64% | 0.637 | S | S | * | * | trans | -134.6 | 124.3 | 174.1 | -85.6 | 80 | 78.6 | 0 | 0 | 106.4 | N191 | N191-M193 PolarHBondContact O-N 3.34Å; N191-M193 WeakPolarHBondContact OD1-CE 3.3Å | ||
| 194 | N | 45 | Very low | 53.1 | Low | 62 Ų | 62 | 109.2 Ų | 109.2 | 33% | 0.332 | 62% | 0.616 | S | S | . | * | cis | 165.8 | 165.3 | 22.8 | 172.1 | 68 | 0 | 0 | 0 | 107.6 | A196 N197 | N194-A196 PolarHBondContact ND2-N 2.96Å; N194-A196 PolarHBondContact OD1-N 2.78Å; N194-N197 WeakPolarHBondContact ND2-CA 3.47Å; N194-N197 WeakPolarHBondContact ND2-CB 3.43Å; N194-N197 PolarHBondContact ND2-N 2.83Å; N194-N197 PolarHBondContact ND2-OD1 2.85Å; N194-N197 PolarHBondContact OD1-N 2.87Å | ||
| 195 | P | 48.2 | Very low | 55.2 | Low | 112 Ų | 112 | 107.4 Ų | 107.4 | 73% | 0.727 | 59% | 0.593 | S | S | * | * | S | Bend | -145.6 | 67.7 | 116.7 | 38.6 | -21.1 | 0 | 0 | 0 | 114.6 | |||
| 196 | A | 42.3 | Very low | 57.4 | Low | 37 Ų | 37 | 107.2 Ų | 107.2 | 31% | 0.306 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -154.9 | 25 | 144.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | N194 G198 R230 L231 | N194-A196 PolarHBondContact ND2-N 2.96Å; N194-A196 PolarHBondContact OD1-N 2.78Å; A196-G198 VanDerWaalsContact C-N 3.32Å; A196-G198 PolarHBondContact O-N 2.95Å; A196-R230 HydrophobicContact CB-CB 3.58Å; A196-R230 HydrophobicContact CB-CG 4.35Å; A196-L231 HydrophobicContact CB-CD2 4.31Å |
| 197 | N | 51.2 | Low | 59.8 | Low | 149 Ų | 149 | 101.6 Ų | 101.6 | 80% | 0.797 | 55% | 0.55 | S | S | * | * | trans | 51.3 | 37.1 | 142.6 | -110.9 | 74.2 | 0 | 0 | 0 | 116.2 | N194 | N194-N197 WeakPolarHBondContact ND2-CA 3.47Å; N194-N197 WeakPolarHBondContact ND2-CB 3.43Å; N194-N197 PolarHBondContact ND2-N 2.83Å; N194-N197 PolarHBondContact ND2-OD1 2.85Å; N194-N197 PolarHBondContact OD1-N 2.87Å | ||
| 198 | G | 56.8 | Low | 62.2 | Low | 35 Ų | 35 | 101.1 Ų | 101.1 | 36% | 0.361 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -161.2 | 161.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A196 R230 | A196-G198 VanDerWaalsContact C-N 3.32Å; A196-G198 PolarHBondContact O-N 2.95Å; G198-R230 PolarHBondContact O-NH1 3.14Å; G198-R230 VanDerWaalsContact O-NH1 3.08Å |
| 199 | P | 70.8 | Confident | 64.6 | Low | 126 Ų | 126 | 94.8 Ų | 94.8 | 82% | 0.818 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 149.5 | 167.9 | 25.3 | -33.7 | 0 | 0 | 0 | 109.4 | ||
| 200 | L | 81.6 | Confident | 66.3 | Low | 41 Ų | 41 | 95.4 Ų | 95.4 | 22% | 0.215 | 52% | 0.522 | C | S | . | . | P | Polyproline II helix | trans | -51.8 | 142.9 | 168.7 | -106.6 | 64.5 | 0 | 0 | 0 | 108.5 | W204 Q206 Y216 | L200-W204 HydrophobicContact CB-CB 4.15Å; L200-W204 HydrophobicContact CD2-CB 3.96Å; L200-W204 HydrophobicContact CG-CB 4.2Å; L200-Q206 HydrophobicContact CD2-CB 3.97Å; L200-Y216 HydrophobicContact CD2-CD1 4.11Å |
| 201 | P | 82 | Confident | 68.2 | Low | 52 Ų | 52 | 92.4 Ų | 92.4 | 34% | 0.338 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 153.6 | 175.9 | -21.5 | 31.9 | 0 | 0 | 0 | 110.5 | H203 W204 P229 R230 | P201-H203 PolarHBondContact O-N 3.08Å; P201-W204 HydrophobicContact CB-CG 4.46Å; P201-W204 WeakPolarHBondContact O-CB 3.16Å; P201-W204 PolarHBondContact O-N 2.93Å; P201-P229 HydrophobicContact CG-CB 4.27Å; P201-P229 HydrophobicContact CG-CG 4.27Å; P201-R230 HydrophobicContact CG-CG 4.35Å |
| 202 | E | 76.9 | Confident | 70.2 | Confident | 161 Ų | 161 | 89.9 Ų | 89.9 | 75% | 0.752 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 140.3 | -179 | -165 | 148.1 | -171.1 | 0 | 0 | 111.1 | W204 | E202-W204 VanDerWaalsContact C-N 3.25Å; E202-W204 PolarHBondContact O-N 3.43Å |
| 203 | H | 85.6 | Confident | 72 | Confident | 99 Ų | 99 | 86.8 Ų | 86.8 | 46% | 0.458 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 10.7 | -172.4 | -43.1 | -60.5 | 0 | 0 | 0 | 116.2 | P201 N218 H219 E220 | P201-H203 PolarHBondContact O-N 3.08Å; H203-N218 CarbonylContact O-C 3.5Å; H203-N218 WeakPolarHBondContact O-CA 3.35Å; H203-H219 HydrophobicContact CB-CB 4.23Å; H203-H219 WeakPolarHBondContact O-CB 3.18Å; H203-H219 PolarHBondContact O-N 2.79Å; H203-E220 HydrophobicContact CB-CB 3.94Å |
| 204 | W | 87.7 | Confident | 74.3 | Confident | 54 Ų | 54 | 84.3 Ų | 84.3 | 21% | 0.205 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 136.4 | 170.1 | -70 | 79.9 | 0 | 0 | 0 | 112.4 | L200 P201 E202 I217 N218 P229 | L200-W204 HydrophobicContact CB-CB 4.15Å; L200-W204 HydrophobicContact CD2-CB 3.96Å; L200-W204 HydrophobicContact CG-CB 4.2Å; P201-W204 HydrophobicContact CB-CG 4.46Å; P201-W204 WeakPolarHBondContact O-CB 3.16Å; P201-W204 PolarHBondContact O-N 2.93Å; E202-W204 VanDerWaalsContact C-N 3.25Å; E202-W204 PolarHBondContact O-N 3.43Å; W204-I217 CarbonylContact C-O 3.51Å; W204-I217 VanDerWaalsContact CA-O 3.28Å; W204-I217 WeakPolarHBondContact CA-O 3.29Å; W204-N218 HydrophobicContact CD2-CB 3.98Å; W204-N218 VanDerWaalsContact CE2-ND2 3.31Å; W204-N218 HydrophobicContact CE3-CB 3.97Å; W204-N218 HydrophobicContact CH2-CB 3.89Å; W204-N218 HydrophobicContact CZ2-CB 3.86Å; W204-N218 WeakPolarHBondContact CZ2-ND2 3.49Å; W204-N218 HydrophobicContact CZ3-CB 3.94Å; W204-N218 PolarHBondContact NE1-ND2 3.24Å; W204-P229 HydrophobicContact CB-CG 4.23Å; W204-P229 HydrophobicContact CD2-CB 3.55Å; W204-P229 HydrophobicContact CD2-CG 3.48Å; W204-P229 VanDerWaalsContact CD2-CG 3.48Å; W204-P229 VanDerWaalsContact CE2-CB 3.46Å; W204-P229 HydrophobicContact CE3-CB 3.78Å; W204-P229 HydrophobicContact CE3-CG 3.52Å; W204-P229 HydrophobicContact CG-CB 4.14Å; W204-P229 HydrophobicContact CG-CG 3.83Å; W204-P229 HydrophobicContact CH2-CB 3.79Å; W204-P229 HydrophobicContact CH2-CG 4.41Å; W204-P229 HydrophobicContact CZ2-CB 3.59Å; W204-P229 HydrophobicContact CZ2-CG 4.42Å; W204-P229 HydrophobicContact CZ3-CB 3.89Å; W204-P229 HydrophobicContact CZ3-CG 3.99Å |
| 205 | E | 88.8 | Confident | 76.3 | Confident | 90 Ų | 90 | 84.3 Ų | 84.3 | 42% | 0.421 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 142.9 | 174.5 | 177.1 | -178.1 | 166.9 | 0 | 0 | 110 | Y216 I217 H219 | E205-Y216 CarbonylContact O-C 3.44Å; E205-Y216 VanDerWaalsContact O-CA 3.29Å; E205-Y216 WeakPolarHBondContact O-CA 3.3Å; E205-I217 HydrophobicContact CB-CB 4.29Å; E205-I217 PolarHBondContact N-O 2.92Å; E205-I217 PolarHBondContact O-N 2.79Å; E205-H219 IonicContact OE2-CD2 3.57Å; E205-H219 IonicContact OE2-CE1 3.37Å; E205-H219 PolarHBondContact OE2-CE1 2.72Å; E205-H219 VanDerWaalsContact OE2-CE1 3.31Å; E205-H219 IonicContact OE2-NE2 3.05Å; E205-H219 PolarHBondContact OE2-NE2 3.05Å |
| 206 | Q | 88.3 | Confident | 78.2 | Confident | 95 Ų | 95 | 80 Ų | 80 | 44% | 0.444 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 125 | 171.4 | -176.8 | -177.9 | 17.8 | 0 | 0 | 108.6 | L200 I214 Y216 | L200-Q206 HydrophobicContact CD2-CB 3.97Å; Q206-I214 HydrophobicContact CG-CG2 3.75Å; Q206-Y216 HydrophobicContact CB-CD1 4.31Å; Q206-Y216 HydrophobicContact CB-CE1 4.27Å; Q206-Y216 HydrophobicContact CG-CD1 4.43Å; Q206-Y216 HydrophobicContact CG-CE1 4.06Å |
| 207 | A | 85.5 | Confident | 80.4 | Confident | 14 Ų | 14 | 79.9 Ų | 79.9 | 12% | 0.116 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 164.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | I214 Y215 I217 | A207-I214 WeakPolarHBondContact O-CA 3.5Å; A207-Y215 HydrophobicContact CB-CD1 4.09Å; A207-Y215 HydrophobicContact CB-CD2 4.28Å; A207-Y215 HydrophobicContact CB-CE1 3.51Å; A207-Y215 HydrophobicContact CB-CE2 3.74Å; A207-Y215 HydrophobicContact CB-CG 4.44Å; A207-Y215 PolarHBondContact N-O 2.83Å; A207-Y215 WeakPolarHBondContact O-CD1 3.28Å; A207-Y215 PolarHBondContact O-N 3.42Å; A207-Y215 VanDerWaalsContact O-O 3.06Å; A207-I217 HydrophobicContact CB-CD1 3.84Å; A207-I217 HydrophobicContact CB-CG1 4.33Å |
| 208 | I | 87.9 | Confident | 82.1 | Confident | 113 Ų | 113 | 73 Ų | 73 | 58% | 0.579 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 132.3 | -178.5 | -54.8 | 176 | 0 | 0 | 0 | 108.2 | G212 E213 I214 | I208-G212 VanDerWaalsContact CG2-C 3.49Å; I208-E213 CarbonylContact C-O 3.53Å; I208-E213 VanDerWaalsContact CA-O 3.29Å; I208-E213 WeakPolarHBondContact CA-O 3.33Å; I208-I214 HydrophobicContact CG1-CG1 4.35Å |
| 209 | T | 84.6 | Confident | 83.5 | Confident | 32 Ų | 32 | 75.9 Ų | 75.9 | 20% | 0.196 | 40% | 0.402 | C | S | . | . | trans | -72.4 | 168.8 | 176.4 | 64.7 | 0 | 0 | 0 | 0 | 111.5 | E211 G212 E213 Y215 W226 | T209-E211 VanDerWaalsContact CB-OE2 3.32Å; T209-E211 WeakPolarHBondContact CB-OE2 3.29Å; T209-E211 PolarHBondContact O-N 3.2Å; T209-E211 VanDerWaalsContact O-N 3.14Å; T209-E211 PolarHBondContact OG1-N 2.69Å; T209-E211 PolarHBondContact OG1-OE2 3.06Å; T209-G212 PolarHBondContact O-N 2.87Å; T209-E213 HydrophobicContact CG2-CB 4.45Å; T209-E213 PolarHBondContact N-O 2.66Å; T209-E213 WeakPolarHBondContact OG1-CB 3.46Å; T209-E213 PolarHBondContact OG1-N 2.7Å; T209-E213 VanDerWaalsContact OG1-N 3.08Å; T209-Y215 HydrophobicContact CG2-CD1 3.57Å; T209-Y215 HydrophobicContact CG2-CE1 3.71Å; T209-W226 HydrophobicContact CG2-CH2 3.79Å; T209-W226 HydrophobicContact CG2-CZ3 4.21Å | ||
| 210 | S | 76.1 | Confident | 84 | Confident | 117 Ų | 117 | 76.1 Ų | 76.1 | 82% | 0.818 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -24.9 | 172.7 | 31.9 | 0 | 0 | 0 | 0 | 112.8 | G212 | S210-G212 VanDerWaalsContact C-N 3.3Š|
| 211 | E | 74.3 | Confident | 84 | Confident | 138 Ų | 138 | 81.1 Ų | 81.1 | 65% | 0.645 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -2.6 | 178.9 | -59.7 | 67.4 | -139 | 0 | 0 | 112.5 | T209 E213 | T209-E211 VanDerWaalsContact CB-OE2 3.32Å; T209-E211 WeakPolarHBondContact CB-OE2 3.29Å; T209-E211 PolarHBondContact O-N 3.2Å; T209-E211 VanDerWaalsContact O-N 3.14Å; T209-E211 PolarHBondContact OG1-N 2.69Å; T209-E211 PolarHBondContact OG1-OE2 3.06Å; E211-E213 HydrophobicContact CB-CG 4.45Å |
| 212 | G | 80.1 | Confident | 84.1 | Confident | 52 Ų | 52 | 89.7 Ų | 89.7 | 54% | 0.536 | 44% | 0.438 | S | S | . | . | S | Bend | trans | 85.5 | 10.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I208 T209 S210 | I208-G212 VanDerWaalsContact CG2-C 3.49Å; T209-G212 PolarHBondContact O-N 2.87Å; S210-G212 VanDerWaalsContact C-N 3.3Å |
| 213 | E | 81.8 | Confident | 84 | Confident | 110 Ų | 110 | 85.1 Ų | 85.1 | 51% | 0.514 | 42% | 0.421 | S | S | . | . | trans | -85.6 | 135.6 | -179.4 | -56.7 | -171.7 | 120.9 | 0 | 0 | 111.1 | I208 T209 E211 W226 | I208-E213 CarbonylContact C-O 3.53Å; I208-E213 VanDerWaalsContact CA-O 3.29Å; I208-E213 WeakPolarHBondContact CA-O 3.33Å; T209-E213 HydrophobicContact CG2-CB 4.45Å; T209-E213 PolarHBondContact N-O 2.66Å; T209-E213 WeakPolarHBondContact OG1-CB 3.46Å; T209-E213 PolarHBondContact OG1-N 2.7Å; T209-E213 VanDerWaalsContact OG1-N 3.08Å; E211-E213 HydrophobicContact CB-CG 4.45Å; E213-W226 HydrophobicContact CB-CH2 4.23Å; E213-W226 HydrophobicContact CB-CZ3 3.71Å | ||
| 214 | I | 85.5 | Confident | 84.1 | Confident | 81 Ų | 81 | 85.3 Ų | 85.3 | 42% | 0.415 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 129.9 | 179 | -64.6 | 170.2 | 0 | 0 | 0 | 109.6 | Q206 A207 I208 Y216 | Q206-I214 HydrophobicContact CG-CG2 3.75Å; A207-I214 WeakPolarHBondContact O-CA 3.5Å; I208-I214 HydrophobicContact CG1-CG1 4.35Å; I214-Y216 HydrophobicContact CG2-CE2 4.15Å |
| 215 | Y | 85.9 | Confident | 83.8 | Confident | 62 Ų | 62 | 84.2 Ų | 84.2 | 24% | 0.243 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 163.8 | 170.6 | 69.9 | -78.5 | 0 | 0 | 0 | 111 | A207 T209 I217 T224 | A207-Y215 HydrophobicContact CB-CD1 4.09Å; A207-Y215 HydrophobicContact CB-CD2 4.28Å; A207-Y215 HydrophobicContact CB-CE1 3.51Å; A207-Y215 HydrophobicContact CB-CE2 3.74Å; A207-Y215 HydrophobicContact CB-CG 4.44Å; A207-Y215 PolarHBondContact N-O 2.83Å; A207-Y215 WeakPolarHBondContact O-CD1 3.28Å; A207-Y215 PolarHBondContact O-N 3.42Å; A207-Y215 VanDerWaalsContact O-O 3.06Å; T209-Y215 HydrophobicContact CG2-CD1 3.57Å; T209-Y215 HydrophobicContact CG2-CE1 3.71Å; Y215-I217 HydrophobicContact CD2-CG1 3.95Å; Y215-I217 HydrophobicContact CE2-CD1 3.74Å; Y215-I217 HydrophobicContact CE2-CG1 3.57Å; Y215-T224 HydrophobicContact CD2-CG2 4.41Å; Y215-T224 HydrophobicContact CE2-CG2 4.39Å |
| 216 | Y | 88.5 | Confident | 83.7 | Confident | 23 Ų | 23 | 87.4 Ų | 87.4 | 9% | 0.09 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 133.8 | -175.5 | -58.7 | -88.8 | 0 | 0 | 0 | 109.8 | L200 E205 Q206 I214 T224 S225 L227 D228 | L200-Y216 HydrophobicContact CD2-CD1 4.11Å; E205-Y216 CarbonylContact O-C 3.44Å; E205-Y216 VanDerWaalsContact O-CA 3.29Å; E205-Y216 WeakPolarHBondContact O-CA 3.3Å; Q206-Y216 HydrophobicContact CB-CD1 4.31Å; Q206-Y216 HydrophobicContact CB-CE1 4.27Å; Q206-Y216 HydrophobicContact CG-CD1 4.43Å; Q206-Y216 HydrophobicContact CG-CE1 4.06Å; I214-Y216 HydrophobicContact CG2-CE2 4.15Å; Y216-T224 CarbonylContact O-C 3.5Å; Y216-T224 VanDerWaalsContact O-CA 3.28Å; Y216-T224 WeakPolarHBondContact O-CA 3.35Å; Y216-S225 PolarHBondContact N-O 3.08Å; Y216-S225 PolarHBondContact O-N 2.77Å; Y216-L227 WeakPolarHBondContact CD2-O 3.39Å; Y216-D228 HydrophobicContact CD2-CB 4.47Å; Y216-D228 HydrophobicContact CE1-CB 4.14Å; Y216-D228 VanDerWaalsContact CE2-CA 3.46Å; Y216-D228 HydrophobicContact CE2-CB 3.77Å; Y216-D228 PolarHBondContact OH-OD2 2.68Å |
| 217 | I | 87.9 | Confident | 83.5 | Confident | 34 Ų | 34 | 86 Ų | 86 | 17% | 0.174 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.2 | -179.9 | -52.6 | 174.2 | 0 | 0 | 0 | 107.6 | W204 E205 A207 Y215 T224 | W204-I217 CarbonylContact C-O 3.51Å; W204-I217 VanDerWaalsContact CA-O 3.28Å; W204-I217 WeakPolarHBondContact CA-O 3.29Å; E205-I217 HydrophobicContact CB-CB 4.29Å; E205-I217 PolarHBondContact N-O 2.92Å; E205-I217 PolarHBondContact O-N 2.79Å; A207-I217 HydrophobicContact CB-CD1 3.84Å; A207-I217 HydrophobicContact CB-CG1 4.33Å; Y215-I217 HydrophobicContact CD2-CG1 3.95Å; Y215-I217 HydrophobicContact CE2-CD1 3.74Å; Y215-I217 HydrophobicContact CE2-CG1 3.57Å; I217-T224 HydrophobicContact CG1-CG2 4.16Å; I217-T224 HydrophobicContact CG2-CG2 4.47Å |
| 218 | N | 87.6 | Confident | 83.3 | Confident | 4 Ų | 4 | 85.9 Ų | 85.9 | 2% | 0.021 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 109.8 | 170.1 | -178.1 | -35.1 | 0 | 0 | 0 | 108.6 | H203 W204 E220 K221 R222 T223 | H203-N218 CarbonylContact O-C 3.5Å; H203-N218 WeakPolarHBondContact O-CA 3.35Å; W204-N218 HydrophobicContact CD2-CB 3.98Å; W204-N218 VanDerWaalsContact CE2-ND2 3.31Å; W204-N218 HydrophobicContact CE3-CB 3.97Å; W204-N218 HydrophobicContact CH2-CB 3.89Å; W204-N218 HydrophobicContact CZ2-CB 3.86Å; W204-N218 WeakPolarHBondContact CZ2-ND2 3.49Å; W204-N218 HydrophobicContact CZ3-CB 3.94Å; W204-N218 PolarHBondContact NE1-ND2 3.24Å; N218-E220 WeakPolarHBondContact OD1-CA 3.17Å; N218-E220 VanDerWaalsContact OD1-CB 3.3Å; N218-E220 WeakPolarHBondContact OD1-CB 3.28Å; N218-E220 PolarHBondContact OD1-N 3.38Å; N218-K221 PolarHBondContact OD1-N 3.09Å; N218-R222 CarbonylContact O-C 3.59Å; N218-R222 WeakPolarHBondContact O-CA 3.32Å; N218-R222 PolarHBondContact O-N 2.8Å; N218-T223 PolarHBondContact N-O 2.96Å; N218-T223 PolarHBondContact O-N 3.26Å; N218-T223 VanDerWaalsContact O-N 3.09Å |
| 219 | H | 85.1 | Confident | 82.8 | Confident | 95 Ų | 95 | 81.2 Ų | 81.2 | 44% | 0.44 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -24.7 | -180 | -69.1 | -74 | 0 | 0 | 0 | 113.5 | H203 E205 | H203-H219 HydrophobicContact CB-CB 4.23Å; H203-H219 WeakPolarHBondContact O-CB 3.18Å; H203-H219 PolarHBondContact O-N 2.79Å; E205-H219 IonicContact OE2-CD2 3.57Å; E205-H219 IonicContact OE2-CE1 3.37Å; E205-H219 PolarHBondContact OE2-CE1 2.72Å; E205-H219 VanDerWaalsContact OE2-CE1 3.31Å; E205-H219 IonicContact OE2-NE2 3.05Å; E205-H219 PolarHBondContact OE2-NE2 3.05Å |
| 220 | E | 81.4 | Confident | 82.5 | Confident | 132 Ų | 132 | 82.8 Ų | 82.8 | 62% | 0.617 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -48.1 | 176.1 | -175.7 | -167.2 | -171.3 | 0 | 0 | 110.9 | H203 N218 | H203-E220 HydrophobicContact CB-CB 3.94Å; N218-E220 WeakPolarHBondContact OD1-CA 3.17Å; N218-E220 VanDerWaalsContact OD1-CB 3.3Å; N218-E220 WeakPolarHBondContact OD1-CB 3.28Å; N218-E220 PolarHBondContact OD1-N 3.38Å |
| 221 | K | 82.1 | Confident | 82.3 | Confident | 146 Ų | 146 | 79.2 Ų | 79.2 | 64% | 0.635 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -7.6 | -178.5 | -63.9 | -177.3 | -177.8 | 174.7 | 0 | 113.3 | N218 T223 | N218-K221 PolarHBondContact OD1-N 3.09Å; K221-T223 HydrophobicContact CB-CG2 4.07Å; K221-T223 PolarHBondContact O-N 3.48Å |
| 222 | R | 84.2 | Confident | 81.8 | Confident | 232 Ų | 232 | 76.6 Ų | 76.6 | 88% | 0.875 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 44.8 | -172.2 | -55.9 | -176.8 | -177.9 | 173.2 | -0.3 | 111.9 | N218 | N218-R222 CarbonylContact O-C 3.59Å; N218-R222 WeakPolarHBondContact O-CA 3.32Å; N218-R222 PolarHBondContact O-N 2.8Å |
| 223 | T | 75.3 | Confident | 81 | Confident | 65 Ų | 65 | 78.9 Ų | 78.9 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 149.3 | -179 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | N218 K221 | N218-T223 PolarHBondContact N-O 2.96Å; N218-T223 PolarHBondContact O-N 3.26Å; N218-T223 VanDerWaalsContact O-N 3.09Å; K221-T223 HydrophobicContact CB-CG2 4.07Å; K221-T223 PolarHBondContact O-N 3.48Å |
| 224 | T | 87.2 | Confident | 79.9 | Confident | 103 Ų | 103 | 83.4 Ų | 83.4 | 63% | 0.632 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 148 | 170.6 | 56.8 | 0 | 0 | 0 | 0 | 110.5 | Y215 Y216 I217 | Y215-T224 HydrophobicContact CD2-CG2 4.41Å; Y215-T224 HydrophobicContact CE2-CG2 4.39Å; Y216-T224 CarbonylContact O-C 3.5Å; Y216-T224 VanDerWaalsContact O-CA 3.28Å; Y216-T224 WeakPolarHBondContact O-CA 3.35Å; I217-T224 HydrophobicContact CG1-CG2 4.16Å; I217-T224 HydrophobicContact CG2-CG2 4.47Å |
| 225 | S | 81.3 | Confident | 78.6 | Confident | 30 Ų | 30 | 84.4 Ų | 84.4 | 21% | 0.21 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 142.1 | 179.1 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | Y216 L227 | Y216-S225 PolarHBondContact N-O 3.08Å; Y216-S225 PolarHBondContact O-N 2.77Å; S225-L227 PolarHBondContact OG-N 3.07Å; S225-L227 PolarHBondContact OG-O 2.84Å |
| 226 | W | 87.5 | Confident | 77.2 | Confident | 158 Ų | 158 | 84.2 Ų | 84.2 | 60% | 0.598 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -78.8 | -13.8 | 168.9 | -62.8 | 105.7 | 0 | 0 | 0 | 112.4 | T209 E213 | T209-W226 HydrophobicContact CG2-CH2 3.79Å; T209-W226 HydrophobicContact CG2-CZ3 4.21Å; E213-W226 HydrophobicContact CB-CH2 4.23Å; E213-W226 HydrophobicContact CB-CZ3 3.71Å |
| 227 | L | 82.8 | Confident | 75.7 | Confident | 64 Ų | 64 | 89.4 Ų | 89.4 | 34% | 0.335 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -93.9 | 133.9 | -178.8 | -127.9 | 69.4 | 0 | 0 | 0 | 110.4 | Y216 S225 Y235 | Y216-L227 WeakPolarHBondContact CD2-O 3.39Å; S225-L227 PolarHBondContact OG-N 3.07Å; S225-L227 PolarHBondContact OG-O 2.84Å; L227-Y235 HydrophobicContact CD1-CD2 4.41Å; L227-Y235 HydrophobicContact CD1-CE2 4.49Å; L227-Y235 HydrophobicContact CD2-CD2 3.49Å; L227-Y235 VanDerWaalsContact CD2-CD2 3.49Å; L227-Y235 HydrophobicContact CD2-CE2 4.29Å; L227-Y235 HydrophobicContact CD2-CG 3.76Å; L227-Y235 HydrophobicContact CG-CD2 3.8Å; L227-Y235 HydrophobicContact CG-CE2 4.13Å; L227-Y235 HydrophobicContact CG-CG 4.43Å |
| 228 | D | 82.6 | Confident | 74.2 | Confident | 12 Ų | 12 | 91.5 Ų | 91.5 | 6% | 0.064 | 44% | 0.438 | C | S | . | . | trans | -64.7 | 124.2 | 174.4 | -172.8 | -31.6 | 0 | 0 | 0 | 109.5 | Y216 R230 L231 E232 | Y216-D228 HydrophobicContact CD2-CB 4.47Å; Y216-D228 HydrophobicContact CE1-CB 4.14Å; Y216-D228 VanDerWaalsContact CE2-CA 3.46Å; Y216-D228 HydrophobicContact CE2-CB 3.77Å; Y216-D228 PolarHBondContact OH-OD2 2.68Å; D228-R230 PolarHBondContact O-N 3.22Å; D228-R230 VanDerWaalsContact O-N 3.07Å; D228-R230 WeakPolarHBondContact OD1-CB 3.44Å; D228-R230 VanDerWaalsContact OD1-CG 3.3Å; D228-R230 WeakPolarHBondContact OD1-CG 3.3Å; D228-R230 IonicContact OD1-CZ 3.96Å; D228-R230 PolarHBondContact OD1-N 2.82Å; D228-R230 IonicContact OD1-NE 3.37Å; D228-R230 PolarHBondContact OD1-NE 3.39Å; D228-R230 IonicContact OD1-NH2 3.01Å; D228-R230 IonicContact OD2-CZ 2.68Å; D228-R230 VanDerWaalsContact OD2-CZ 3.27Å; D228-R230 IonicContact OD2-NE 3.92Å; D228-R230 PolarHBondContact OD2-NE 3.03Å; D228-R230 IonicContact OD2-NH2 3.03Å; D228-R230 PolarHBondContact OD2-NH2 3.4Å; D228-L231 HydrophobicContact CB-CB 4.38Å; D228-L231 HydrophobicContact CB-CD1 3.85Å; D228-L231 HydrophobicContact CB-CG 3.93Å; D228-L231 PolarHBondContact O-N 2.77Å; D228-E232 PolarHBondContact O-N 3.22Å | ||
| 229 | P | 77.4 | Confident | 72.5 | Confident | 15 Ų | 15 | 97.9 Ų | 97.9 | 10% | 0.097 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -23.3 | 178.8 | 26.4 | -38.5 | 0 | 0 | 0 | 113.6 | P201 W204 L231 | P201-P229 HydrophobicContact CG-CB 4.27Å; P201-P229 HydrophobicContact CG-CG 4.27Å; W204-P229 HydrophobicContact CB-CG 4.23Å; W204-P229 HydrophobicContact CD2-CB 3.55Å; W204-P229 HydrophobicContact CD2-CG 3.48Å; W204-P229 VanDerWaalsContact CD2-CG 3.48Å; W204-P229 VanDerWaalsContact CE2-CB 3.46Å; W204-P229 HydrophobicContact CE3-CB 3.78Å; W204-P229 HydrophobicContact CE3-CG 3.52Å; W204-P229 HydrophobicContact CG-CB 4.14Å; W204-P229 HydrophobicContact CG-CG 3.83Å; W204-P229 HydrophobicContact CH2-CB 3.79Å; W204-P229 HydrophobicContact CH2-CG 4.41Å; W204-P229 HydrophobicContact CZ2-CB 3.59Å; W204-P229 HydrophobicContact CZ2-CG 4.42Å; W204-P229 HydrophobicContact CZ3-CB 3.89Å; W204-P229 HydrophobicContact CZ3-CG 3.99Å; P229-L231 PolarHBondContact O-N 3.01Å |
| 230 | R | 77.4 | Confident | 70.9 | Confident | 66 Ų | 66 | 100.1 Ų | 100.1 | 25% | 0.249 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -16.3 | 176.5 | -57.9 | 173.7 | -67.4 | -173.2 | 1.6 | 112.6 | A196 G198 P201 D228 | A196-R230 HydrophobicContact CB-CB 3.58Å; A196-R230 HydrophobicContact CB-CG 4.35Å; G198-R230 PolarHBondContact O-NH1 3.14Å; G198-R230 VanDerWaalsContact O-NH1 3.08Å; P201-R230 HydrophobicContact CG-CG 4.35Å; D228-R230 PolarHBondContact O-N 3.22Å; D228-R230 VanDerWaalsContact O-N 3.07Å; D228-R230 WeakPolarHBondContact OD1-CB 3.44Å; D228-R230 VanDerWaalsContact OD1-CG 3.3Å; D228-R230 WeakPolarHBondContact OD1-CG 3.3Å; D228-R230 IonicContact OD1-CZ 3.96Å; D228-R230 PolarHBondContact OD1-N 2.82Å; D228-R230 IonicContact OD1-NE 3.37Å; D228-R230 PolarHBondContact OD1-NE 3.39Å; D228-R230 IonicContact OD1-NH2 3.01Å; D228-R230 IonicContact OD2-CZ 2.68Å; D228-R230 VanDerWaalsContact OD2-CZ 3.27Å; D228-R230 IonicContact OD2-NE 3.92Å; D228-R230 PolarHBondContact OD2-NE 3.03Å; D228-R230 IonicContact OD2-NH2 3.03Å; D228-R230 PolarHBondContact OD2-NH2 3.4Å |
| 231 | L | 72.3 | Confident | 69.4 | Low | 41 Ų | 41 | 102.7 Ų | 102.7 | 22% | 0.215 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -9.5 | -178 | -54.4 | 177.6 | 0 | 0 | 0 | 112.9 | A196 D228 P229 P233 R234 Y235 | A196-L231 HydrophobicContact CB-CD2 4.31Å; D228-L231 HydrophobicContact CB-CB 4.38Å; D228-L231 HydrophobicContact CB-CD1 3.85Å; D228-L231 HydrophobicContact CB-CG 3.93Å; D228-L231 PolarHBondContact O-N 2.77Å; P229-L231 PolarHBondContact O-N 3.01Å; L231-P233 VanDerWaalsContact C-CD 3.43Å; L231-P233 VanDerWaalsContact C-N 3.34Å; L231-R234 WeakPolarHBondContact O-CA 3.21Å; L231-R234 WeakPolarHBondContact O-CB 3.47Å; L231-R234 PolarHBondContact O-N 2.85Å; L231-Y235 HydrophobicContact CB-CD2 3.54Å; L231-Y235 HydrophobicContact CB-CE2 3.18Å; L231-Y235 HydrophobicContact CD1-CE2 3.72Å; L231-Y235 HydrophobicContact CG-CE2 4.06Å; L231-Y235 WeakPolarHBondContact O-CD2 3.18Å; L231-Y235 PolarHBondContact O-N 2.91Å; L231-Y235 VanDerWaalsContact O-N 3.08Å |
| 232 | E | 64.6 | Low | 67.5 | Low | 84 Ų | 84 | 100.8 Ų | 100.8 | 39% | 0.393 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -45.4 | -46.3 | 175.9 | -85.8 | -74.6 | 139.5 | 0 | 0 | 113.9 | D228 R234 Y235 A236 | D228-E232 PolarHBondContact O-N 3.22Å; E232-R234 PolarHBondContact O-N 2.84Å; E232-Y235 PolarHBondContact O-N 3.05Å; E232-A236 WeakPolarHBondContact O-CB 3.5Å; E232-A236 PolarHBondContact O-N 2.98Å |
| 233 | P | 63 | Low | 65.6 | Low | 100 Ų | 100 | 95.6 Ų | 95.6 | 65% | 0.649 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.9 | -28.5 | 179 | -21.4 | 32.8 | 0 | 0 | 0 | 113.7 | L231 | L231-P233 VanDerWaalsContact C-CD 3.43Å; L231-P233 VanDerWaalsContact C-N 3.34Å |
| 234 | R | 58.5 | Low | 64.2 | Low | 205 Ų | 205 | 98.5 Ų | 98.5 | 77% | 0.774 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -82.9 | -34.4 | 180 | -72.2 | -82.9 | 165.3 | 108 | -5.3 | 111.7 | L231 E232 | L231-R234 WeakPolarHBondContact O-CA 3.21Å; L231-R234 WeakPolarHBondContact O-CB 3.47Å; L231-R234 PolarHBondContact O-N 2.85Å; E232-R234 PolarHBondContact O-N 2.84Å |
| 235 | Y | 58.5 | Low | 62.3 | Low | 102 Ų | 102 | 98.4 Ų | 98.4 | 40% | 0.4 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -81.7 | -30.9 | 179.5 | -66.4 | -62.3 | 0 | 0 | 0 | 113.4 | L227 L231 E232 L237 N238 Q239 | L227-Y235 HydrophobicContact CD1-CD2 4.41Å; L227-Y235 HydrophobicContact CD1-CE2 4.49Å; L227-Y235 HydrophobicContact CD2-CD2 3.49Å; L227-Y235 VanDerWaalsContact CD2-CD2 3.49Å; L227-Y235 HydrophobicContact CD2-CE2 4.29Å; L227-Y235 HydrophobicContact CD2-CG 3.76Å; L227-Y235 HydrophobicContact CG-CD2 3.8Å; L227-Y235 HydrophobicContact CG-CE2 4.13Å; L227-Y235 HydrophobicContact CG-CG 4.43Å; L231-Y235 HydrophobicContact CB-CD2 3.54Å; L231-Y235 HydrophobicContact CB-CE2 3.18Å; L231-Y235 HydrophobicContact CD1-CE2 3.72Å; L231-Y235 HydrophobicContact CG-CE2 4.06Å; L231-Y235 WeakPolarHBondContact O-CD2 3.18Å; L231-Y235 PolarHBondContact O-N 2.91Å; L231-Y235 VanDerWaalsContact O-N 3.08Å; E232-Y235 PolarHBondContact O-N 3.05Å; Y235-L237 VanDerWaalsContact C-N 3.26Å; Y235-L237 PolarHBondContact O-N 3.37Å; Y235-N238 PolarHBondContact O-N 2.86Å; Y235-N238 VanDerWaalsContact O-N 3.12Å; Y235-Q239 VanDerWaalsContact O-CG 3.31Å; Y235-Q239 WeakPolarHBondContact O-CG 3.43Å; Y235-Q239 PolarHBondContact O-N 3.31Å |
| 236 | A | 56.3 | Low | 60.1 | Low | 57 Ų | 57 | 101.7 Ų | 101.7 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.3 | -36.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E232 N238 | E232-A236 WeakPolarHBondContact O-CB 3.5Å; E232-A236 PolarHBondContact O-N 2.98Å; A236-N238 VanDerWaalsContact C-N 3.34Å |
| 237 | L | 57.4 | Low | 58.3 | Low | 132 Ų | 132 | 100.5 Ų | 100.5 | 69% | 0.691 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.4 | -27.7 | 177.4 | -168.4 | 63.4 | 0 | 0 | 0 | 112.8 | Y235 | Y235-L237 VanDerWaalsContact C-N 3.26Å; Y235-L237 PolarHBondContact O-N 3.37Å |
| 238 | N | 56.1 | Low | 56.1 | Low | 79 Ų | 79 | 101.2 Ų | 101.2 | 42% | 0.422 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -86.1 | -30.2 | 178.9 | -113.1 | -2.1 | 0 | 0 | 0 | 112.9 | Y235 A236 Q240 R241 M242 | Y235-N238 PolarHBondContact O-N 2.86Å; Y235-N238 VanDerWaalsContact O-N 3.12Å; A236-N238 VanDerWaalsContact C-N 3.34Å; N238-Q240 PolarHBondContact O-N 3.46Å; N238-R241 WeakPolarHBondContact O-CB 3.16Å; N238-R241 PolarHBondContact O-N 3.24Å; N238-M242 HydrophobicContact CB-CE 4.36Å; N238-M242 PolarHBondContact O-N 3.5Å |
| 239 | Q | 52.2 | Low | 53.9 | Low | 137 Ų | 137 | 110.2 Ų | 110.2 | 64% | 0.64 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.5 | -30.5 | 175.9 | -72.4 | -93.2 | 84.5 | 0 | 0 | 112.6 | Y235 R241 | Y235-Q239 VanDerWaalsContact O-CG 3.31Å; Y235-Q239 WeakPolarHBondContact O-CG 3.43Å; Y235-Q239 PolarHBondContact O-N 3.31Å; Q239-R241 VanDerWaalsContact C-N 3.25Å; Q239-R241 PolarHBondContact O-N 2.98Å |
| 240 | Q | 50.1 | Low | 51.9 | Low | 143 Ų | 143 | 118.5 Ų | 118.5 | 67% | 0.668 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.3 | -16.5 | 173.1 | -73.8 | -176.6 | -24.1 | 0 | 0 | 113.8 | N238 | N238-Q240 PolarHBondContact O-N 3.46Å |
| 241 | R | 51.2 | Low | 49.7 | Very low | 185 Ų | 185 | 120.8 Ų | 120.8 | 70% | 0.698 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -89.5 | -29.5 | 176.8 | -167.7 | 174.6 | 179.6 | -88.8 | -0.3 | 112.5 | N238 Q239 | N238-R241 WeakPolarHBondContact O-CB 3.16Å; N238-R241 PolarHBondContact O-N 3.24Å; Q239-R241 VanDerWaalsContact C-N 3.25Å; Q239-R241 PolarHBondContact O-N 2.98Å |
| 242 | M | 41.4 | Very low | 48 | Very low | 107 Ų | 107 | 122.4 Ų | 122.4 | 53% | 0.527 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -82.3 | -17.2 | -174.8 | -89.6 | 71.6 | 131.2 | 0 | 0 | 115.1 | N238 Q244 | N238-M242 HydrophobicContact CB-CE 4.36Å; N238-M242 PolarHBondContact O-N 3.5Å; M242-Q244 PolarHBondContact O-N 3.36Å |
| 243 | T | 45.1 | Very low | 46.5 | Very low | 123 Ų | 123 | 128 Ų | 128 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 6.1 | 175.3 | 56.6 | 0 | 0 | 0 | 0 | 113.9 | ||
| 244 | Q | 44.5 | Very low | 45 | Very low | 125 Ų | 125 | 131 Ų | 131 | 58% | 0.584 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 35.6 | 179.5 | -71.7 | -173.6 | 83.6 | 0 | 0 | 114 | M242 | M242-Q244 PolarHBondContact O-N 3.36Š|
| 245 | S | 47.4 | Very low | 45.3 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | trans | -144.7 | 88.6 | 173.2 | 47.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 246 | A | 34.9 | Very low | 44.7 | Very low | 98 Ų | 98 | 127.6 Ų | 127.6 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -156 | 152.8 | 151.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 247 | P | 50.3 | Low | 44.2 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 87% | 0.87 | 74% | 0.739 | S | S | * | * | -110.4 | 145.1 | -120.3 | 37.5 | -31.8 | 0 | 0 | 0 | 115.4 | |||||
| 248 | G | 35.9 | Very low | 43.1 | Very low | 78 Ų | 78 | 128.6 Ų | 128.6 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | -120.1 | 122.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 249 | K | 37.6 | Very low | 42.3 | Very low | 201 Ų | 201 | 133.2 Ų | 133.2 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -70.8 | 161.1 | -179.1 | -73.2 | 179.3 | 172.7 | 178.5 | 0 | 112.9 | ||||
| 250 | Q | 35.1 | Very low | 41.6 | Very low | 189 Ų | 189 | 130.7 Ų | 130.7 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | 90.9 | 129.8 | 166.1 | -53.9 | -178.6 | -2 | 0 | 0 | 114.9 | ||||
| 251 | S | 31.6 | Very low | 41.3 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | -171.3 | 140.2 | -1.2 | 44.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 252 | G | 36.4 | Very low | 40.9 | Very low | 74 Ų | 74 | 125.6 Ų | 125.6 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | trans | 66.7 | 109.6 | 147.2 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 253 | Q | 33.5 | Very low | 41.2 | Very low | 202 Ų | 202 | 130.1 Ų | 130.1 | 94% | 0.944 | 80% | 0.804 | S | S | * | * | 155.7 | 136.9 | 116.3 | -82.7 | -172.4 | 9.9 | 0 | 0 | 112.6 | |||||
| 254 | L | 30.7 | Very low | 41.5 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -96 | 172 | 174.3 | -81.7 | 169.3 | 0 | 0 | 0 | 110.2 | ||||
| 255 | P | 66.2 | Low | 42.1 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | -110.3 | -171.8 | -105 | 29.8 | -4.8 | 0 | 0 | 0 | 112.2 | |||||
| 256 | P | 45.4 | Very low | 42.6 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | -142.2 | 153.4 | 97.5 | 33.7 | -17.1 | 0 | 0 | 0 | 114.4 | |||||
| 257 | S | 44.4 | Very low | 44.2 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -55.2 | 137.3 | 165.9 | 43.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 258 | T | 35.8 | Very low | 45.2 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | 168.6 | 144.5 | 113.6 | 42.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 259 | H | 38.2 | Very low | 47.3 | Very low | 176 Ų | 176 | 130.5 Ų | 130.5 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | trans | 69.5 | 107.1 | 160 | -50.5 | 115.1 | 0 | 0 | 0 | 121.1 | ||||
| 260 | G | 37.3 | Very low | 49.2 | Very low | 84 Ų | 84 | 127.9 Ų | 127.9 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | 61.9 | 111.9 | 117.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 261 | G | 44.3 | Very low | 51.4 | Low | 72 Ų | 72 | 124.5 Ų | 124.5 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | 95.3 | 144.8 | 144.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 262 | V | 43.7 | Very low | 53.9 | Low | 149 Ų | 149 | 125.2 Ų | 125.2 | 90% | 0.903 | 74% | 0.743 | S | S | * | * | trans | 67.3 | 81.5 | 168.2 | -73.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 263 | M | 46.7 | Very low | 56.2 | Low | 202 Ų | 202 | 126 Ų | 126 | 100% | 0.995 | 73% | 0.727 | S | S | * | * | trans | -99.5 | 85.1 | 156.8 | -81.7 | -107 | -80.7 | 0 | 0 | 110.3 | ||||
| 264 | A | 51.4 | Low | 58.7 | Low | 93 Ų | 93 | 121.2 Ų | 121.2 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | trans | -142.4 | 22.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 265 | G | 56.5 | Low | 61.3 | Low | 63 Ų | 63 | 118.8 Ų | 118.8 | 65% | 0.649 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -110.7 | -15 | -172.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 266 | N | 59.8 | Low | 62.3 | Low | 119 Ų | 119 | 119 Ų | 119 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -102.8 | 1.6 | -164 | -126.5 | -42.5 | 0 | 0 | 0 | 115.6 | ||
| 267 | N | 67.4 | Low | 64 | Low | 121 Ų | 121 | 116.5 Ų | 116.5 | 65% | 0.647 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -76.6 | -29.5 | -174.9 | -63.6 | -11.2 | 0 | 0 | 0 | 112.7 | L271 | N267-L271 PolarHBondContact O-N 3.08Å |
| 268 | Q | 71.1 | Confident | 66.1 | Low | 153 Ų | 153 | 118.7 Ų | 118.7 | 72% | 0.715 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73.8 | -43.3 | -174.8 | -65 | -171.1 | 65.4 | 0 | 0 | 113.1 | R270 L271 Q272 | Q268-R270 VanDerWaalsContact C-N 3.29Å; Q268-R270 PolarHBondContact O-N 3.04Å; Q268-L271 PolarHBondContact O-N 2.92Å; Q268-Q272 PolarHBondContact O-N 3.35Å |
| 269 | L | 79.8 | Confident | 68.5 | Low | 119 Ų | 119 | 118.6 Ų | 118.6 | 62% | 0.623 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63.7 | -38.1 | 174.5 | -85 | 156.1 | 0 | 0 | 0 | 111.3 | Q272 Q273 | L269-Q272 PolarHBondContact O-N 3.34Å; L269-Q273 PolarHBondContact O-N 3.28Å; L269-Q273 VanDerWaalsContact O-N 3.07Å |
| 270 | R | 78.5 | Confident | 70.7 | Confident | 146 Ų | 146 | 118.7 Ų | 118.7 | 55% | 0.551 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.8 | -39.7 | 176.5 | -171.6 | 155.6 | -177.1 | 165.3 | -0.7 | 112.4 | Q268 Q273 I274 | Q268-R270 VanDerWaalsContact C-N 3.29Å; Q268-R270 PolarHBondContact O-N 3.04Å; R270-Q273 PolarHBondContact O-N 3.35Å; R270-I274 HydrophobicContact CG-CD1 4.13Å; R270-I274 WeakPolarHBondContact O-CD1 3.39Å; R270-I274 VanDerWaalsContact O-CG1 3.29Å; R270-I274 WeakPolarHBondContact O-CG1 3.39Å; R270-I274 PolarHBondContact O-N 2.94Å |
| 271 | L | 81.1 | Confident | 72.8 | Confident | 117 Ų | 117 | 120.6 Ų | 120.6 | 61% | 0.613 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.8 | -43.4 | 173.8 | -110.7 | 69.2 | 0 | 0 | 0 | 112.3 | N267 Q268 Q273 I274 E275 | N267-L271 PolarHBondContact O-N 3.08Å; Q268-L271 PolarHBondContact O-N 2.92Å; L271-Q273 VanDerWaalsContact C-N 3.3Å; L271-Q273 PolarHBondContact O-N 2.88Å; L271-I274 PolarHBondContact O-N 3.21Å; L271-E275 PolarHBondContact O-N 2.91Å |
| 272 | Q | 84.1 | Confident | 74.7 | Confident | 130 Ų | 130 | 122.8 Ų | 122.8 | 61% | 0.607 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -60.7 | -39.8 | 176.6 | -86.7 | 170.7 | 56.3 | 0 | 0 | 112.3 | Q268 L269 E275 K276 | Q268-Q272 PolarHBondContact O-N 3.35Å; L269-Q272 PolarHBondContact O-N 3.34Å; Q272-E275 PolarHBondContact O-N 3.25Å; Q272-K276 WeakPolarHBondContact O-CB 3.31Å; Q272-K276 PolarHBondContact O-N 2.95Å |
| 273 | Q | 83.6 | Confident | 76.3 | Confident | 92 Ų | 92 | 122.8 Ų | 122.8 | 43% | 0.43 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.8 | -44.4 | 176.1 | -173.8 | 64.6 | 44.2 | 0 | 0 | 111.8 | L269 R270 L271 E275 K276 D277 | L269-Q273 PolarHBondContact O-N 3.28Å; L269-Q273 VanDerWaalsContact O-N 3.07Å; R270-Q273 PolarHBondContact O-N 3.35Å; L271-Q273 VanDerWaalsContact C-N 3.3Å; L271-Q273 PolarHBondContact O-N 2.88Å; Q273-E275 VanDerWaalsContact C-N 3.3Å; Q273-E275 PolarHBondContact O-N 3.19Å; Q273-K276 VanDerWaalsContact NE2-CE 3.29Å; Q273-K276 PolarHBondContact O-N 2.97Å; Q273-D277 PolarHBondContact NE2-OD1 3.44Å; Q273-D277 VanDerWaalsContact NE2-OD1 3.14Å; Q273-D277 PolarHBondContact NE2-OD2 2.99Å; Q273-D277 WeakPolarHBondContact O-CB 3.41Å; Q273-D277 VanDerWaalsContact O-CG 3.28Å; Q273-D277 PolarHBondContact O-N 3.02Å |
| 274 | I | 87.4 | Confident | 77.5 | Confident | 100 Ų | 100 | 117.8 Ų | 117.8 | 51% | 0.513 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -58.7 | -43.8 | 176.5 | -70.7 | 159 | 0 | 0 | 0 | 110.7 | R270 L271 D277 R278 | R270-I274 HydrophobicContact CG-CD1 4.13Å; R270-I274 WeakPolarHBondContact O-CD1 3.39Å; R270-I274 VanDerWaalsContact O-CG1 3.29Å; R270-I274 WeakPolarHBondContact O-CG1 3.39Å; R270-I274 PolarHBondContact O-N 2.94Å; L271-I274 PolarHBondContact O-N 3.21Å; I274-D277 PolarHBondContact O-N 2.74Å; I274-R278 WeakPolarHBondContact O-CB 3.38Å; I274-R278 PolarHBondContact O-N 3.12Å |
| 275 | E | 85.1 | Confident | 78.4 | Confident | 114 Ų | 114 | 120.9 Ų | 120.9 | 53% | 0.533 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.9 | -41.5 | 179.7 | -174.1 | 159.5 | -90.6 | 0 | 0 | 112.2 | L271 Q272 Q273 D277 R278 L279 | L271-E275 PolarHBondContact O-N 2.91Å; Q272-E275 PolarHBondContact O-N 3.25Å; Q273-E275 VanDerWaalsContact C-N 3.3Å; Q273-E275 PolarHBondContact O-N 3.19Å; E275-D277 VanDerWaalsContact C-N 3.32Å; E275-D277 PolarHBondContact O-N 2.78Å; E275-R278 WeakPolarHBondContact O-CB 3.49Å; E275-R278 PolarHBondContact O-N 3.33Å; E275-R278 IonicContact OE1-NH1 3.22Å; E275-R278 PolarHBondContact OE1-NH1 2.93Å; E275-L279 PolarHBondContact O-N 3.37Å |
| 276 | K | 86.6 | Confident | 78.9 | Confident | 115 Ų | 115 | 121.8 Ų | 121.8 | 50% | 0.5 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.9 | -42.8 | 174.6 | -170.1 | -178 | 66.7 | 62.6 | 0 | 111.8 | Q272 Q273 L279 R280 | Q272-K276 WeakPolarHBondContact O-CB 3.31Å; Q272-K276 PolarHBondContact O-N 2.95Å; Q273-K276 VanDerWaalsContact NE2-CE 3.29Å; Q273-K276 PolarHBondContact O-N 2.97Å; K276-L279 PolarHBondContact O-N 2.85Å; K276-R280 PolarHBondContact O-N 3.29Å; K276-R280 VanDerWaalsContact O-N 3.07Å |
| 277 | D | 81.8 | Confident | 79.4 | Confident | 70 Ų | 70 | 122.8 Ų | 122.8 | 37% | 0.374 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72.4 | -34.4 | 180 | -65.5 | -21.5 | 0 | 0 | 0 | 111.5 | Q273 I274 E275 L279 R280 L281 | Q273-D277 PolarHBondContact NE2-OD1 3.44Å; Q273-D277 VanDerWaalsContact NE2-OD1 3.14Å; Q273-D277 PolarHBondContact NE2-OD2 2.99Å; Q273-D277 WeakPolarHBondContact O-CB 3.41Å; Q273-D277 VanDerWaalsContact O-CG 3.28Å; Q273-D277 PolarHBondContact O-N 3.02Å; I274-D277 PolarHBondContact O-N 2.74Å; E275-D277 VanDerWaalsContact C-N 3.32Å; E275-D277 PolarHBondContact O-N 2.78Å; D277-L279 VanDerWaalsContact C-N 3.34Å; D277-L279 PolarHBondContact O-N 2.77Å; D277-R280 PolarHBondContact O-N 3.38Å; D277-L281 WeakPolarHBondContact O-CB 3.48Å; D277-L281 PolarHBondContact O-N 3.28Å |
| 278 | R | 88.3 | Confident | 79.4 | Confident | 145 Ų | 145 | 123.9 Ų | 123.9 | 55% | 0.547 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.7 | -43.5 | 170.5 | -163.2 | -170.6 | 87.8 | -138.1 | 1.9 | 111.5 | I274 E275 L281 Q282 | I274-R278 WeakPolarHBondContact O-CB 3.38Å; I274-R278 PolarHBondContact O-N 3.12Å; E275-R278 WeakPolarHBondContact O-CB 3.49Å; E275-R278 PolarHBondContact O-N 3.33Å; E275-R278 IonicContact OE1-NH1 3.22Å; E275-R278 PolarHBondContact OE1-NH1 2.93Å; R278-L281 PolarHBondContact O-N 3.11Å; R278-Q282 WeakPolarHBondContact O-CB 3.46Å; R278-Q282 PolarHBondContact O-N 2.95Å |
| 279 | L | 85.9 | Confident | 79 | Confident | 110 Ų | 110 | 121.3 Ų | 121.3 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.7 | -40.6 | 180 | -159 | 70.2 | 0 | 0 | 0 | 111.5 | E275 K276 D277 L281 Q282 Q283 | E275-L279 PolarHBondContact O-N 3.37Å; K276-L279 PolarHBondContact O-N 2.85Å; D277-L279 VanDerWaalsContact C-N 3.34Å; D277-L279 PolarHBondContact O-N 2.77Å; L279-L281 PolarHBondContact O-N 2.9Å; L279-Q282 PolarHBondContact O-N 3.32Å; L279-Q283 PolarHBondContact O-N 3.26Å |
| 280 | R | 84.6 | Confident | 78.5 | Confident | 179 Ų | 179 | 118.3 Ų | 118.3 | 68% | 0.675 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62 | -42.4 | 175.3 | -157.8 | -168.5 | -171.2 | -169.9 | 3.6 | 111.9 | K276 D277 Q283 H284 | K276-R280 PolarHBondContact O-N 3.29Å; K276-R280 VanDerWaalsContact O-N 3.07Å; D277-R280 PolarHBondContact O-N 3.38Å; R280-Q283 PolarHBondContact O-N 3.37Å; R280-H284 PolarHBondContact O-N 3.12Å |
| 281 | L | 80.3 | Confident | 77.9 | Confident | 123 Ų | 123 | 117.4 Ų | 117.4 | 64% | 0.644 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -71.7 | -35.5 | 179.7 | -163.1 | 67.2 | 0 | 0 | 0 | 112.3 | D277 R278 L279 Q283 H284 R285 | D277-L281 WeakPolarHBondContact O-CB 3.48Å; D277-L281 PolarHBondContact O-N 3.28Å; R278-L281 PolarHBondContact O-N 3.11Å; L279-L281 PolarHBondContact O-N 2.9Å; L281-Q283 VanDerWaalsContact C-N 3.28Å; L281-Q283 PolarHBondContact O-N 3.23Å; L281-H284 PolarHBondContact O-N 2.84Å; L281-R285 PolarHBondContact O-N 3.1Å; L281-R285 VanDerWaalsContact O-N 3.13Å |
| 282 | Q | 84.1 | Confident | 76.8 | Confident | 119 Ų | 119 | 121.1 Ų | 121.1 | 56% | 0.556 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.8 | -36.8 | 174.5 | -171 | -174.6 | 78 | 0 | 0 | 111.7 | R278 L279 P286 | R278-Q282 WeakPolarHBondContact O-CB 3.46Å; R278-Q282 PolarHBondContact O-N 2.95Å; L279-Q282 PolarHBondContact O-N 3.32Å; Q282-P286 VanDerWaalsContact O-CD 3.29Å; Q282-P286 WeakPolarHBondContact O-CD 3.43Å |
| 283 | Q | 77.5 | Confident | 75.6 | Confident | 149 Ų | 149 | 121.9 Ų | 121.9 | 70% | 0.696 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.4 | -31.9 | 176.9 | -167.9 | -172.8 | 83.9 | 0 | 0 | 113 | L279 R280 L281 P286 | L279-Q283 PolarHBondContact O-N 3.26Å; R280-Q283 PolarHBondContact O-N 3.37Å; L281-Q283 VanDerWaalsContact C-N 3.28Å; L281-Q283 PolarHBondContact O-N 3.23Å; Q283-P286 VanDerWaalsContact O-CD 3.31Å; Q283-P286 WeakPolarHBondContact O-CD 3.37Å |
| 284 | H | 71.9 | Confident | 74.4 | Confident | 97 Ų | 97 | 124.8 Ų | 124.8 | 45% | 0.449 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -81.6 | -25.4 | -179.9 | -92.5 | -87.6 | 0 | 0 | 0 | 114.1 | R280 L281 P286 Q287 E288 | R280-H284 PolarHBondContact O-N 3.12Å; L281-H284 PolarHBondContact O-N 2.84Å; H284-P286 VanDerWaalsContact C-CD 3.47Å; H284-Q287 PolarHBondContact O-N 3.47Å; H284-E288 PolarHBondContact O-N 3.32Å |
| 285 | R | 71 | Confident | 72.6 | Confident | 158 Ų | 158 | 126.4 Ų | 126.4 | 60% | 0.596 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -55.1 | -42.1 | -178.2 | -168.9 | -161.8 | -62.9 | -117.2 | 0 | 114.5 | L281 Q287 E288 L289 | L281-R285 PolarHBondContact O-N 3.1Å; L281-R285 VanDerWaalsContact O-N 3.13Å; R285-Q287 VanDerWaalsContact C-N 3.34Å; R285-Q287 PolarHBondContact O-N 3.5Å; R285-E288 PolarHBondContact O-N 3.1Å; R285-L289 HydrophobicContact CG-CD1 3.92Å; R285-L289 WeakPolarHBondContact O-CG 3.29Å; R285-L289 PolarHBondContact O-N 3.5Å; R285-L289 VanDerWaalsContact O-N 3.14Å |
| 286 | P | 67.5 | Low | 70.8 | Confident | 81 Ų | 81 | 126.9 Ų | 126.9 | 53% | 0.526 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67 | -32 | -179.9 | -19.3 | 32.4 | 0 | 0 | 0 | 113.3 | Q282 Q283 H284 A290 | Q282-P286 VanDerWaalsContact O-CD 3.29Å; Q282-P286 WeakPolarHBondContact O-CD 3.43Å; Q283-P286 VanDerWaalsContact O-CD 3.31Å; Q283-P286 WeakPolarHBondContact O-CD 3.37Å; H284-P286 VanDerWaalsContact C-CD 3.47Å; P286-A290 WeakPolarHBondContact O-CB 3.39Å; P286-A290 PolarHBondContact O-N 3.14Å |
| 287 | Q | 69.3 | Low | 68.8 | Low | 140 Ų | 140 | 128.1 Ų | 128.1 | 65% | 0.654 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.4 | -38.7 | 176.6 | -88.5 | 178.2 | 5.5 | 0 | 0 | 112 | H284 R285 A290 L291 | H284-Q287 PolarHBondContact O-N 3.47Å; R285-Q287 VanDerWaalsContact C-N 3.34Å; R285-Q287 PolarHBondContact O-N 3.5Å; Q287-A290 PolarHBondContact O-N 3.41Å; Q287-L291 PolarHBondContact O-N 3.37Å; Q287-L291 VanDerWaalsContact O-N 3.09Å |
| 288 | E | 67.9 | Low | 66.9 | Low | 145 Ų | 145 | 130.5 Ų | 130.5 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.5 | -42.3 | 177.7 | -166.2 | -172.1 | 148.5 | 0 | 0 | 111.7 | H284 R285 A290 L291 R292 | H284-E288 PolarHBondContact O-N 3.32Å; R285-E288 PolarHBondContact O-N 3.1Å; E288-A290 PolarHBondContact O-N 3.46Å; E288-L291 PolarHBondContact O-N 2.95Å; E288-R292 WeakPolarHBondContact O-CB 3.33Å; E288-R292 PolarHBondContact O-N 3.25Å |
| 289 | L | 63.5 | Low | 64.8 | Low | 98 Ų | 98 | 131.5 Ų | 131.5 | 51% | 0.513 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -65.2 | -37.5 | 175.9 | -73.7 | 164 | 0 | 0 | 0 | 112.2 | R285 L291 R292 N293 | R285-L289 HydrophobicContact CG-CD1 3.92Å; R285-L289 WeakPolarHBondContact O-CG 3.29Å; R285-L289 PolarHBondContact O-N 3.5Å; R285-L289 VanDerWaalsContact O-N 3.14Å; L289-L291 VanDerWaalsContact C-N 3.33Å; L289-L291 PolarHBondContact O-N 3.1Å; L289-R292 PolarHBondContact O-N 3.41Å; L289-N293 PolarHBondContact O-N 3.01Å; L289-N293 VanDerWaalsContact O-N 3.1Å |
| 290 | A | 67.8 | Low | 62.6 | Low | 57 Ų | 57 | 132.9 Ų | 132.9 | 47% | 0.471 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -66.7 | -33.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P286 Q287 E288 | P286-A290 WeakPolarHBondContact O-CB 3.39Å; P286-A290 PolarHBondContact O-N 3.14Å; Q287-A290 PolarHBondContact O-N 3.41Å; E288-A290 PolarHBondContact O-N 3.46Å |
| 291 | L | 67.2 | Low | 60.4 | Low | 126 Ų | 126 | 132.5 Ų | 132.5 | 66% | 0.66 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -75 | -35.2 | 176.5 | -150.9 | 71.7 | 0 | 0 | 0 | 111.9 | Q287 E288 L289 Q294 | Q287-L291 PolarHBondContact O-N 3.37Å; Q287-L291 VanDerWaalsContact O-N 3.09Å; E288-L291 PolarHBondContact O-N 2.95Å; L289-L291 VanDerWaalsContact C-N 3.33Å; L289-L291 PolarHBondContact O-N 3.1Å; L291-Q294 PolarHBondContact O-N 3.4Å |
| 292 | R | 57.4 | Low | 58.2 | Low | 195 Ų | 195 | 133.9 Ų | 133.9 | 74% | 0.736 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -72.5 | -29.6 | 178.2 | -176.1 | 171.7 | 156 | 138.1 | -2.1 | 113.4 | E288 L289 Q294 | E288-R292 WeakPolarHBondContact O-CB 3.33Å; E288-R292 PolarHBondContact O-N 3.25Å; L289-R292 PolarHBondContact O-N 3.41Å; R292-Q294 PolarHBondContact O-N 3.32Å |
| 293 | N | 59.5 | Low | 55.8 | Low | 147 Ų | 147 | 131 Ų | 131 | 79% | 0.786 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -2.4 | 176.7 | -105.2 | 44.1 | 0 | 0 | 0 | 114.5 | L289 | L289-N293 PolarHBondContact O-N 3.01Å; L289-N293 VanDerWaalsContact O-N 3.1Å |
| 294 | Q | 57.2 | Low | 53.7 | Low | 153 Ų | 153 | 129.2 Ų | 129.2 | 72% | 0.715 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 2.6 | 178.6 | -71.6 | -167.7 | 96.6 | 0 | 0 | 114.4 | L291 R292 | L291-Q294 PolarHBondContact O-N 3.4Å; R292-Q294 PolarHBondContact O-N 3.32Å |
| 295 | L | 50.3 | Low | 52 | Low | 133 Ų | 133 | 130.9 Ų | 130.9 | 70% | 0.696 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -90.2 | 122.1 | 170.3 | -81 | 107 | 0 | 0 | 0 | 110.6 | T297 | L295-T297 PolarHBondContact O-N 3.03Å; L295-T297 VanDerWaalsContact O-N 3.12Å |
| 296 | P | 47.6 | Very low | 50.1 | Low | 125 Ų | 125 | 130.9 Ų | 130.9 | 81% | 0.812 | 72% | 0.722 | S | S | * | * | trans | -65.7 | 110.9 | 171.5 | -12.8 | 26.4 | 0 | 0 | 0 | 109.7 | S298 | P296-S298 PolarHBondContact O-N 3.43Š| ||
| 297 | T | 44.9 | Very low | 49.3 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 86% | 0.859 | 73% | 0.731 | S | S | * | * | trans | -76 | 95.4 | 161.1 | 36.4 | 0 | 0 | 0 | 0 | 108.4 | L295 M299 | L295-T297 PolarHBondContact O-N 3.03Å; L295-T297 VanDerWaalsContact O-N 3.12Å; T297-M299 PolarHBondContact O-N 3.09Å | ||
| 298 | S | 41.5 | Very low | 47.4 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | trans | -76.5 | 107.5 | 164.9 | 53.3 | 0 | 0 | 0 | 0 | 109 | P296 | P296-S298 PolarHBondContact O-N 3.43Š| ||
| 299 | M | 43.7 | Very low | 45.7 | Very low | 166 Ų | 166 | 131 Ų | 131 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -99.3 | 125.2 | 158.8 | -173.3 | 178.9 | -65.3 | 0 | 0 | 105.4 | T297 | T297-M299 PolarHBondContact O-N 3.09Š| ||
| 300 | D | 40.3 | Very low | 44.3 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | 164.7 | 152.3 | 139.4 | -82.5 | -37.9 | 0 | 0 | 0 | 113.3 | ||||
| 301 | Q | 37.5 | Very low | 43.3 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | 91.1 | 90.7 | 151.7 | -125.6 | 84.3 | 73.4 | 0 | 0 | 120.2 | ||||
| 302 | D | 33.6 | Very low | 41.7 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | 22.9 | 135.5 | 119.3 | -156.6 | 16.7 | 0 | 0 | 0 | 120.8 | |||||
| 303 | G | 33.9 | Very low | 40.7 | Very low | 59 Ų | 59 | 131.4 Ų | 131.4 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | trans | 64.9 | 96.3 | 130.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 304 | S | 34.4 | Very low | 39.7 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | 66.8 | 134 | 135.1 | -140.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 305 | T | 36.2 | Very low | 38.6 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 79.5 | 103.9 | 159 | 68.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 306 | N | 31.7 | Very low | 37.8 | Very low | 159 Ų | 159 | 130 Ų | 130 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -66.1 | 160.7 | 147 | -80.9 | -34.1 | 0 | 0 | 0 | 109.9 | ||||
| 307 | P | 49 | Very low | 37.2 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | cis | -148.8 | 171.7 | 38.1 | 38.5 | -16.3 | 0 | 0 | 0 | 119.3 | ||||
| 308 | I | 29.2 | Very low | 36.8 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | 123.8 | 132 | 127.7 | -122.9 | 150.3 | 0 | 0 | 0 | 118.8 | |||||
| 309 | S | 32.1 | Very low | 36.4 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | 85.1 | 113.1 | 154 | -61.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 310 | S | 34.6 | Very low | 35.9 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -68.9 | 169.4 | 156.3 | -42.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 311 | P | 47.4 | Very low | 35.8 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | -151.5 | 153.9 | 82.7 | 37.3 | -17 | 0 | 0 | 0 | 117.6 | |||||
| 312 | L | 33.8 | Very low | 35.6 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 57.5 | 117 | 130.4 | -163.9 | 68.8 | 0 | 0 | 0 | 121.5 | Q314 | L312-Q314 HydrophobicContact CD1-CG 4.13Š| ||
| 313 | A | 36.7 | Very low | 35.5 | Very low | 103 Ų | 103 | 131 Ų | 131 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -155.7 | 128.9 | 131 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 314 | Q | 38.1 | Very low | 35.8 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -95.6 | 153.8 | 177.1 | -63.4 | 176.3 | -55.8 | 0 | 0 | 109.9 | L312 | L312-Q314 HydrophobicContact CD1-CG 4.13Š| ||
| 315 | D | 32.9 | Very low | 35.9 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -168.9 | 108.9 | 134.7 | -94.2 | -36.1 | 0 | 0 | 0 | 108.4 | ||||
| 316 | A | 34.9 | Very low | 36.8 | Very low | 80 Ų | 80 | 133.7 Ų | 133.7 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | 77 | 88.3 | 84 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 317 | R | 35 | Very low | 37.4 | Very low | 227 Ų | 227 | 134.3 Ų | 134.3 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | 74.7 | 114.8 | 99.2 | -77.7 | -175.4 | -178.3 | 168.1 | 2 | 115.7 | |||||
| 318 | T | 36.1 | Very low | 37.5 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | -145.4 | 126.9 | 125.6 | -31.8 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 319 | M | 33 | Very low | 37.9 | Very low | 151 Ų | 151 | 137 Ų | 137 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | trans | -100.4 | 147.1 | 178.4 | -64.3 | -162.1 | 167.3 | 0 | 0 | 110.7 | ||||
| 320 | T | 34 | Very low | 38.2 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | trans | -147.3 | 142.2 | 141.2 | -10.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 321 | V | 38.1 | Very low | 38.2 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | -98.4 | 151.3 | -156.7 | 145 | 0 | 0 | 0 | 0 | 113 | ||||
| 322 | N | 33.4 | Very low | 37.7 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | 134 | 131.9 | 149.9 | -80.3 | -34.2 | 0 | 0 | 0 | 109.6 | ||||
| 323 | S | 30.9 | Very low | 37.9 | Very low | 97 Ų | 97 | 137.9 Ų | 137.9 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | cis | -175.6 | 134.2 | 15.6 | 30.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 324 | S | 40.7 | Very low | 38.1 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 49.7 | 100.8 | 152 | 54.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 325 | D | 37 | Very low | 38.2 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 65% | 0.652 | 78% | 0.781 | S | S | * | * | trans | -156.2 | 120.3 | 142.4 | -168 | -15.5 | 0 | 0 | 0 | 109.6 | F327 | D325-F327 VanDerWaalsContact C-N 3.31Å; D325-F327 PolarHBondContact O-N 3.44Å | ||
| 326 | P | 54.7 | Low | 38.3 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 14 | -167.8 | 33.3 | -37.7 | 0 | 0 | 0 | 116.2 | ||
| 327 | F | 44.2 | Very low | 38.4 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 75% | 0.75 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 1.8 | -171.6 | -75.7 | -74.9 | 0 | 0 | 0 | 117.6 | D325 | D325-F327 VanDerWaalsContact C-N 3.31Å; D325-F327 PolarHBondContact O-N 3.44Å |
| 328 | L | 51.2 | Low | 39 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -133.3 | 29.6 | -169 | -62.3 | 174 | 0 | 0 | 0 | 116.8 | ||
| 329 | N | 37.1 | Very low | 39.3 | Very low | 157 Ų | 157 | 139 Ų | 139 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -141.1 | 100.6 | 171.9 | -159.7 | 62.8 | 0 | 0 | 0 | 115.5 | ||||
| 330 | S | 37.8 | Very low | 40 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 146.6 | 118.5 | 148.6 | 53.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 331 | G | 35.5 | Very low | 40.3 | Very low | 64 Ų | 64 | 137.1 Ų | 137.1 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | cis | 94.5 | 124 | 37.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 332 | T | 35.6 | Very low | 41.2 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | 91.7 | 106.9 | 149.4 | -48.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 333 | Y | 38.5 | Very low | 41.8 | Very low | 203 Ų | 203 | 133.4 Ų | 133.4 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | 43.7 | 114.6 | 143.9 | -70.9 | -101.8 | 0 | 0 | 0 | 120.4 | ||||
| 334 | H | 41.2 | Very low | 42.7 | Very low | 194 Ų | 194 | 137 Ų | 137 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | -141.9 | 103.5 | 137.8 | -78.6 | -76.1 | 0 | 0 | 0 | 109.8 | ||||
| 335 | S | 40.9 | Very low | 42.6 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | -73.5 | 158.3 | 149.9 | -62.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 336 | R | 35.1 | Very low | 43 | Very low | 211 Ų | 211 | 138.7 Ų | 138.7 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | 80.2 | 140.1 | 169.4 | -75.1 | 173.9 | 71.3 | 140 | 2.4 | 115.3 | ||||
| 337 | D | 36.6 | Very low | 42.1 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 59% | 0.594 | 78% | 0.776 | S | S | * | * | cis | -150 | 154.5 | 21.2 | -97.9 | -44 | 0 | 0 | 0 | 111.1 | ||||
| 338 | E | 47 | Very low | 41.6 | Very low | 175 Ų | 175 | 135.7 Ų | 135.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -36.7 | 130.4 | 152.6 | 175.4 | 178.1 | 91.1 | 0 | 0 | 112.3 | ||||
| 339 | S | 42.1 | Very low | 40.9 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -145.9 | 93.1 | 155.6 | 3.4 | 0 | 0 | 0 | 0 | 108.9 | D341 | S339-D341 PolarHBondContact O-N 3.05Š| ||
| 340 | T | 48.1 | Very low | 40.9 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -59.8 | 105.1 | 143.5 | 51 | 0 | 0 | 0 | 0 | 108 | ||||
| 341 | D | 41.2 | Very low | 41.3 | Very low | 140 Ų | 140 | 137 Ų | 137 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -179.4 | 107.7 | 149.1 | -173 | 32.4 | 0 | 0 | 0 | 109.6 | S339 | S339-D341 PolarHBondContact O-N 3.05Š| ||
| 342 | S | 57.6 | Low | 41.6 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -165.4 | 78.1 | 140.2 | -80.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 343 | G | 45.7 | Very low | 41.9 | Very low | 60 Ų | 60 | 145.3 Ų | 145.3 | 62% | 0.619 | 79% | 0.789 | S | S | * | * | trans | -69.4 | 131.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 344 | L | 48.1 | Very low | 42.1 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | -146.5 | 103.9 | 146 | -78 | -173.4 | 0 | 0 | 0 | 109.9 | ||||
| 345 | S | 39.5 | Very low | 42.3 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | 54.9 | 111.1 | 139.8 | -148.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 346 | M | 45.2 | Very low | 42.5 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | -54.8 | 139.6 | 145 | -59.2 | -178.2 | 67.6 | 0 | 0 | 111.1 | ||||
| 347 | S | 35.6 | Very low | 43.2 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | 161.2 | 112.4 | 135.4 | -77.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 348 | S | 33.8 | Very low | 43.9 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -177.5 | 87.9 | 138.5 | -75.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 349 | Y | 36.2 | Very low | 43.9 | Very low | 220 Ų | 220 | 138.5 Ų | 138.5 | 86% | 0.863 | 79% | 0.787 | S | S | * | * | trans | -56.2 | 132.8 | 159.7 | -79.3 | -98.3 | 0 | 0 | 0 | 108.9 | ||||
| 350 | S | 38 | Very low | 43.9 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -132.1 | 102.7 | 159.8 | -69.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 351 | V | 44.8 | Very low | 43.8 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | trans | -44.8 | 138.2 | 175.3 | 171.6 | 0 | 0 | 0 | 0 | 112.2 | R353 | V351-R353 PolarHBondContact O-N 3.26Š| ||
| 352 | P | 42.3 | Very low | 44.3 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -70.9 | 116.1 | 165.4 | 28.8 | -29.2 | 0 | 0 | 0 | 108.7 | T354 | P352-T354 PolarHBondContact O-N 3.49Š| ||
| 353 | R | 41.5 | Very low | 43.9 | Very low | 245 Ų | 245 | 142 Ų | 142 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -73.9 | 107.1 | 176 | -138.7 | 174 | -171.3 | 129.3 | -1.9 | 108.3 | V351 | V351-R353 PolarHBondContact O-N 3.26Š| ||
| 354 | T | 44.3 | Very low | 44.4 | Very low | 94 Ų | 94 | 148 Ų | 148 | 58% | 0.577 | 81% | 0.808 | S | S | * | * | trans | -67 | 136.4 | 160.3 | 48.6 | 0 | 0 | 0 | 0 | 108.4 | P352 D356 | P352-T354 PolarHBondContact O-N 3.49Å; T354-D356 VanDerWaalsContact C-N 3.29Å; T354-D356 WeakPolarHBondContact CB-OD2 3.31Å; T354-D356 PolarHBondContact O-N 3.32Å; T354-D356 PolarHBondContact OG1-OD2 3.09Å | ||
| 355 | P | 45.2 | Very low | 44.6 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -84.7 | 79.1 | 165.8 | 31.9 | -27.4 | 0 | 0 | 0 | 108.6 | D357 | P355-D357 PolarHBondContact O-N 3.2Å; P355-D357 VanDerWaalsContact O-N 3.09Å | ||
| 356 | D | 45.6 | Very low | 44.7 | Very low | 132 Ų | 132 | 149.8 Ų | 149.8 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -79.3 | 54 | 169.8 | -76.6 | -71.1 | 0 | 0 | 0 | 111.5 | T354 | T354-D356 VanDerWaalsContact C-N 3.29Å; T354-D356 WeakPolarHBondContact CB-OD2 3.31Å; T354-D356 PolarHBondContact O-N 3.32Å; T354-D356 PolarHBondContact OG1-OD2 3.09Å | ||
| 357 | D | 48.9 | Very low | 44.7 | Very low | 139 Ų | 139 | 149.3 Ų | 149.3 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -131.9 | 21.3 | -176.8 | -120.2 | -25 | 0 | 0 | 0 | 114.2 | P355 | P355-D357 PolarHBondContact O-N 3.2Å; P355-D357 VanDerWaalsContact O-N 3.09Å | ||
| 358 | F | 51.5 | Low | 44.8 | Very low | 197 Ų | 197 | 146.9 Ų | 146.9 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -114.3 | 5.5 | 174.6 | -88.3 | -80.9 | 0 | 0 | 0 | 115.1 | ||
| 359 | L | 45.8 | Very low | 45 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -129.5 | 28.3 | -175.9 | -65.3 | 178.5 | 0 | 0 | 0 | 114.5 | ||
| 360 | N | 42.9 | Very low | 45 | Very low | 151 Ų | 151 | 143.7 Ų | 143.7 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -118.9 | 26.9 | 177.5 | -111.8 | -26.1 | 0 | 0 | 0 | 114.1 | ||
| 361 | S | 46.7 | Very low | 45 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -144.5 | 69.4 | 173.5 | -158.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 362 | V | 51.3 | Low | 45.4 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -164.6 | -5.9 | 158.8 | 121.7 | 0 | 0 | 0 | 0 | 115.6 | E364 | V362-E364 PolarHBondContact O-N 3.19Š|
| 363 | D | 48.8 | Very low | 45.1 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -98.3 | 42.1 | -177.5 | -107 | -77.7 | 0 | 0 | 0 | 114.4 | ||
| 364 | E | 57.2 | Low | 44.7 | Very low | 187 Ų | 187 | 137.4 Ų | 137.4 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -140.3 | 72.5 | 167 | -161.5 | 174.2 | 180 | 0 | 0 | 110.1 | V362 | V362-E364 PolarHBondContact O-N 3.19Š| ||
| 365 | M | 50.8 | Low | 44.2 | Very low | 176 Ų | 176 | 141 Ų | 141 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -142 | 86.2 | 155.7 | -152.1 | 170.6 | -72.8 | 0 | 0 | 109.7 | ||||
| 366 | D | 42.6 | Very low | 43.4 | Very low | 148 Ų | 148 | 140.1 Ų | 140.1 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | 22 | 113.8 | 141.3 | -162 | 26.1 | 0 | 0 | 0 | 117.9 | G368 | D366-G368 PolarHBondContact O-N 3.41Š| ||
| 367 | T | 45.2 | Very low | 42.8 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | trans | -85.4 | 90.8 | 168 | -38.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 368 | G | 36.6 | Very low | 42.1 | Very low | 59 Ų | 59 | 141.3 Ų | 141.3 | 61% | 0.608 | 82% | 0.819 | S | S | * | * | trans | -135.6 | 105.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D366 | D366-G368 PolarHBondContact O-N 3.41Š| ||
| 369 | D | 39.2 | Very low | 41.6 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -54.8 | 136.1 | 173.5 | 179.4 | 33.9 | 0 | 0 | 0 | 114.3 | ||||
| 370 | S | 35.7 | Very low | 41 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | 172.5 | 117.5 | 139.7 | 40.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 371 | L | 38.7 | Very low | 40.5 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -77.5 | 174.3 | 153.8 | -63.3 | 176 | 0 | 0 | 0 | 109.5 | ||||
| 372 | P | 53 | Low | 39.9 | Very low | 117 Ų | 117 | 143 Ų | 143 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | cis | -148 | -178.8 | 16.1 | 40.5 | -18.4 | 0 | 0 | 0 | 118.8 | ||||
| 373 | A | 35.1 | Very low | 39.7 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | 76.7 | 141.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 374 | S | 34.6 | Very low | 39.6 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | cis | -167.3 | 159.1 | 13.4 | -169.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 375 | M | 32.2 | Very low | 39.2 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | trans | 72.9 | 122.4 | 141.9 | 64.9 | -147.1 | -126.4 | 0 | 0 | 126 | ||||
| 376 | A | 29.7 | Very low | 39.2 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | 74.1 | 137.9 | 144.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 377 | S | 32.7 | Very low | 39.5 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | cis | -165 | 137.8 | 19.5 | 49.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 378 | Q | 34.4 | Very low | 39.6 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | 26.1 | 143.9 | 155.9 | -65.1 | -66.3 | -46.2 | 0 | 0 | 123.6 | ||||
| 379 | P | 40.3 | Very low | 40 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | trans | -96.4 | 147.9 | -175.5 | 38.6 | -30.4 | 0 | 0 | 0 | 113 | ||||
| 380 | S | 34.3 | Very low | 40.1 | Very low | 121 Ų | 121 | 138 Ų | 138 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -153.5 | 115.6 | 158.8 | -83.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 381 | R | 32 | Very low | 40.8 | Very low | 234 Ų | 234 | 136.4 Ų | 136.4 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | 77.5 | 93.4 | 136.9 | -162.7 | 158.9 | -74.6 | -170.2 | -4.9 | 117.6 | ||||
| 382 | F | 34.6 | Very low | 41 | Very low | 208 Ų | 208 | 135 Ų | 135 | 91% | 0.912 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 150.2 | 142.2 | -86.2 | -84.7 | 0 | 0 | 0 | 109.7 | ||
| 383 | P | 46.6 | Very low | 40.4 | Very low | 90 Ų | 90 | 136.4 Ų | 136.4 | 58% | 0.584 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 144.3 | -168.5 | 19.7 | -3.6 | 0 | 0 | 0 | 113.2 | Y385 | P383-Y385 HydrophobicContact CG-CE2 4.21Å; P383-Y385 PolarHBondContact O-N 3.41Å |
| 384 | D | 45.6 | Very low | 41 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 118.7 | 165.2 | -81 | -50.2 | 0 | 0 | 0 | 111.8 | ||
| 385 | Y | 50.4 | Low | 41.2 | Very low | 208 Ų | 208 | 140.5 Ų | 140.5 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -117.8 | 9.7 | 165.5 | -88.6 | -79.9 | 0 | 0 | 0 | 112.6 | P383 | P383-Y385 HydrophobicContact CG-CE2 4.21Å; P383-Y385 PolarHBondContact O-N 3.41Å | ||
| 386 | L | 49.8 | Very low | 41.9 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -99.5 | -2.3 | 176.5 | -69.6 | -179.8 | 0 | 0 | 0 | 114.3 | G388 | L386-G388 VanDerWaalsContact C-N 3.28Å; L386-G388 PolarHBondContact O-N 3.13Å |
| 387 | D | 48.8 | Very low | 42.3 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 14 | 179.4 | -152.9 | 34 | 0 | 0 | 0 | 113.5 | ||
| 388 | G | 47.3 | Very low | 42.6 | Very low | 67 Ų | 67 | 140 Ų | 140 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 8.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L386 | L386-G388 VanDerWaalsContact C-N 3.28Å; L386-G388 PolarHBondContact O-N 3.13Å |
| 389 | I | 44.1 | Very low | 42.9 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 67% | 0.667 | 79% | 0.785 | S | S | * | * | trans | -111.5 | 111 | 178.9 | -46.5 | -178.1 | 0 | 0 | 0 | 109.1 | G391 | I389-G391 PolarHBondContact O-N 3.25Š| ||
| 390 | P | 42.1 | Very low | 42.8 | Very low | 129 Ų | 129 | 142 Ų | 142 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 117.5 | 175.2 | 26.9 | -31.9 | 0 | 0 | 0 | 110.3 | ||
| 391 | G | 49.8 | Very low | 43 | Very low | 76 Ų | 76 | 139.8 Ų | 139.8 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.9 | 7.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | I389 | I389-G391 PolarHBondContact O-N 3.25Š|
| 392 | T | 43 | Very low | 43.1 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -121.8 | 75.7 | 176.4 | 60.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 393 | D | 40.5 | Very low | 43.3 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -102.8 | 106.2 | 170.5 | -151 | -41.3 | 0 | 0 | 0 | 107.7 | ||||
| 394 | V | 49.1 | Very low | 42.9 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -139.7 | 89 | 162.7 | -159.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 395 | D | 38.2 | Very low | 42.6 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | -53.2 | 122.7 | 170.3 | -175 | 24.6 | 0 | 0 | 0 | 112 | G397 | D395-G397 PolarHBondContact O-N 3.37Š| ||
| 396 | L | 47 | Very low | 42.1 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | -95 | 74.9 | 174.2 | -150.7 | 89.3 | 0 | 0 | 0 | 108.7 | ||||
| 397 | G | 37.9 | Very low | 41.5 | Very low | 60 Ų | 60 | 132.4 Ų | 132.4 | 62% | 0.619 | 80% | 0.796 | S | S | * | * | trans | -92.1 | 118 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D395 | D395-G397 PolarHBondContact O-N 3.37Š| ||
| 398 | T | 39.8 | Very low | 41 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | -57.8 | 130.6 | 163.6 | 40.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 399 | L | 39.2 | Very low | 40.8 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | trans | -159.4 | 110.1 | 153.7 | -138.8 | 125.5 | 0 | 0 | 0 | 113.8 | ||||
| 400 | E | 39.7 | Very low | 40.8 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | 30.9 | 128.3 | 126.3 | -46.7 | -179.5 | 155.6 | 0 | 0 | 121.2 | |||||
| 401 | G | 37.3 | Very low | 40.8 | Very low | 75 Ų | 75 | 140.2 Ų | 140.2 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | 90.3 | 120.1 | 120.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 402 | E | 34.4 | Very low | 40 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | 91.9 | 135.8 | 148.1 | -136.1 | 81.1 | 129.8 | 0 | 0 | 121 | ||||
| 403 | S | 39.6 | Very low | 39.7 | Very low | 97 Ų | 97 | 144.3 Ų | 144.3 | 68% | 0.678 | 82% | 0.821 | S | S | * | * | trans | -62.7 | 143.7 | -172.3 | 56.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 404 | M | 37.4 | Very low | 39.8 | Very low | 193 Ų | 193 | 142.1 Ų | 142.1 | 95% | 0.951 | 82% | 0.817 | S | S | * | * | trans | -140.1 | 114.6 | 134.3 | -77.5 | -164.8 | -178.4 | 0 | 0 | 110.2 | ||||
| 405 | A | 39.9 | Very low | 39.4 | Very low | 94 Ų | 94 | 142.3 Ų | 142.3 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | trans | -75.6 | 135.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 406 | V | 39.8 | Very low | 39.7 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | trans | -154 | 113.7 | 146.3 | -85.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 407 | E | 35.6 | Very low | 39.6 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | 71.8 | 84.3 | 142.3 | -58.3 | 179.9 | 160.5 | 0 | 0 | 118.4 | ||||
| 408 | S | 38.5 | Very low | 40 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -105.7 | 91.1 | 160.4 | -61 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 409 | E | 43.2 | Very low | 40.2 | Very low | 191 Ų | 191 | 147.5 Ų | 147.5 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -173.1 | 139.8 | 151.8 | 32.2 | -147.1 | 139.4 | 0 | 0 | 113.1 | ||||
| 410 | E | 44.8 | Very low | 40.5 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | 84 | 95.1 | 169.9 | -141.6 | 166.2 | -157.6 | 0 | 0 | 115.1 | ||||
| 411 | L | 40.9 | Very low | 41.1 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | -158.7 | 114.9 | 64.7 | -76.5 | 164.4 | 0 | 0 | 0 | 111.2 | |||||
| 412 | M | 33.4 | Very low | 41.9 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 94% | 0.941 | 78% | 0.784 | S | S | * | * | trans | -69.3 | 123.9 | 155.9 | -69.6 | -164.2 | -63.2 | 0 | 0 | 109 | ||||
| 413 | A | 36.9 | Very low | 43 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -106.2 | 107.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108 | L415 | A413-L415 PolarHBondContact O-N 3.39Š| ||
| 414 | S | 42.4 | Very low | 43.8 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -46.4 | 125.6 | 167.4 | 178.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 415 | L | 40.9 | Very low | 44.9 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | trans | -144.2 | 73.7 | 149.9 | -101.1 | 165.9 | 0 | 0 | 0 | 107.9 | A413 E417 | A413-L415 PolarHBondContact O-N 3.39Å; L415-E417 VanDerWaalsContact C-N 3.28Å; L415-E417 HydrophobicContact CD2-CG 4.01Å; L415-E417 PolarHBondContact O-N 2.96Å | ||
| 416 | Q | 44.3 | Very low | 45.8 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | trans | -79.9 | 81.5 | 161.7 | -164.3 | 166.7 | 3.4 | 0 | 0 | 106.7 | ||||
| 417 | E | 45.4 | Very low | 46.7 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 72% | 0.724 | 73% | 0.73 | S | S | * | * | trans | -99.8 | 123.8 | 164.4 | -85.4 | -169.1 | 157.7 | 0 | 0 | 109 | L415 L419 | L415-E417 VanDerWaalsContact C-N 3.28Å; L415-E417 HydrophobicContact CD2-CG 4.01Å; L415-E417 PolarHBondContact O-N 2.96Å; E417-L419 PolarHBondContact O-N 3.07Å | ||
| 418 | P | 46.8 | Very low | 47.8 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | trans | -69.9 | 117.6 | 179.4 | 28.1 | -31.3 | 0 | 0 | 0 | 109.1 | S420 | P418-S420 PolarHBondContact O-N 3.37Å; P418-S420 VanDerWaalsContact O-N 3.08Å | ||
| 419 | L | 44.5 | Very low | 48.7 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 86% | 0.859 | 71% | 0.71 | S | S | * | * | trans | -57.7 | 114.4 | 162.1 | -62.4 | 175.5 | 0 | 0 | 0 | 107.3 | E417 S421 | E417-L419 PolarHBondContact O-N 3.07Å; L419-S421 PolarHBondContact O-N 3.48Å | ||
| 420 | S | 44.7 | Very low | 49.5 | Very low | 64 Ų | 64 | 126.1 Ų | 126.1 | 45% | 0.448 | 70% | 0.698 | S | S | . | * | trans | -50.2 | 119.6 | -176.8 | -35.5 | 0 | 0 | 0 | 0 | 110.4 | P418 D422 I423 | P418-S420 PolarHBondContact O-N 3.37Å; P418-S420 VanDerWaalsContact O-N 3.08Å; S420-D422 PolarHBondContact O-N 3Å; S420-I423 PolarHBondContact O-N 3.47Å | ||
| 421 | S | 52 | Low | 50 | Low | 92 Ų | 92 | 123 Ų | 123 | 64% | 0.643 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -53.8 | -15.7 | 174.3 | 43.7 | 0 | 0 | 0 | 0 | 113.9 | L419 S425 | L419-S421 PolarHBondContact O-N 3.48Å; S421-S425 PolarHBondContact O-N 3.43Å |
| 422 | D | 54.3 | Low | 50.5 | Low | 115 Ų | 115 | 118.7 Ų | 118.7 | 62% | 0.615 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -69 | -34.7 | 176.1 | -59.8 | -49.8 | 0 | 0 | 0 | 113.1 | S420 S425 D426 | S420-D422 PolarHBondContact O-N 3Å; D422-S425 PolarHBondContact O-N 3.37Å; D422-D426 PolarHBondContact O-N 2.97Å; D422-D426 VanDerWaalsContact O-N 3.08Å |
| 423 | I | 57.7 | Low | 51.3 | Low | 107 Ų | 107 | 112.9 Ų | 112.9 | 55% | 0.549 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -71.9 | -35 | -176.8 | -63.6 | 168 | 0 | 0 | 0 | 110.9 | S420 M427 | S420-I423 PolarHBondContact O-N 3.47Å; I423-M427 WeakPolarHBondContact O-CG 3.49Å; I423-M427 PolarHBondContact O-N 3.29Å |
| 424 | L | 56.3 | Low | 51.8 | Low | 127 Ų | 127 | 113.3 Ų | 113.3 | 67% | 0.665 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -74.5 | -34.9 | 176.9 | -66.9 | 174.4 | 0 | 0 | 0 | 111.8 | M427 E428 | L424-M427 PolarHBondContact O-N 3.29Å; L424-E428 PolarHBondContact O-N 2.88Å; L424-E428 VanDerWaalsContact O-N 3.14Å |
| 425 | S | 61.2 | Low | 52.2 | Low | 72 Ų | 72 | 117.6 Ų | 117.6 | 50% | 0.503 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -65.8 | -39.7 | 175 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | S421 D422 E428 S429 | S421-S425 PolarHBondContact O-N 3.43Å; D422-S425 PolarHBondContact O-N 3.37Å; S425-E428 PolarHBondContact O-N 3.43Å; S425-S429 PolarHBondContact O-N 2.94Å; S425-S429 VanDerWaalsContact O-N 3.07Å |
| 426 | D | 57.8 | Low | 52.8 | Low | 116 Ų | 116 | 117.6 Ų | 117.6 | 62% | 0.62 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.1 | -36.2 | 178.4 | -90 | -1.6 | 0 | 0 | 0 | 112.5 | D422 S429 V430 | D422-D426 PolarHBondContact O-N 2.97Å; D422-D426 VanDerWaalsContact O-N 3.08Å; D426-S429 PolarHBondContact O-N 3.38Å; D426-V430 WeakPolarHBondContact O-CG2 3.29Å; D426-V430 PolarHBondContact O-N 3.14Å |
| 427 | M | 59.7 | Low | 52.6 | Low | 124 Ų | 124 | 115.5 Ų | 115.5 | 61% | 0.611 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.2 | -35.5 | 174.4 | -68.4 | -159.9 | 88 | 0 | 0 | 112.4 | I423 L424 V430 L431 | I423-M427 WeakPolarHBondContact O-CG 3.49Å; I423-M427 PolarHBondContact O-N 3.29Å; L424-M427 PolarHBondContact O-N 3.29Å; M427-V430 PolarHBondContact O-N 3.41Å; M427-L431 WeakPolarHBondContact O-CG 3.47Å; M427-L431 PolarHBondContact O-N 3.44Å; M427-L431 VanDerWaalsContact O-N 3.14Å |
| 428 | E | 58.3 | Low | 52.8 | Low | 145 Ų | 145 | 117.4 Ų | 117.4 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.5 | -36.6 | 176.1 | -168.7 | 170.8 | -170 | 0 | 0 | 111.9 | L424 S425 L431 A432 | L424-E428 PolarHBondContact O-N 2.88Å; L424-E428 VanDerWaalsContact O-N 3.14Å; S425-E428 PolarHBondContact O-N 3.43Å; E428-L431 PolarHBondContact O-N 3.06Å; E428-A432 VanDerWaalsContact O-CB 3.28Å; E428-A432 WeakPolarHBondContact O-CB 3.41Å; E428-A432 PolarHBondContact O-N 3.37Å |
| 429 | S | 57.7 | Low | 52.8 | Low | 79 Ų | 79 | 119.4 Ų | 119.4 | 55% | 0.552 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.7 | -33.3 | 176.5 | -167.2 | 0 | 0 | 0 | 0 | 113.3 | S425 D426 A433 | S425-S429 PolarHBondContact O-N 2.94Å; S425-S429 VanDerWaalsContact O-N 3.07Å; D426-S429 PolarHBondContact O-N 3.38Å; S429-A433 PolarHBondContact O-N 2.99Å |
| 430 | V | 59.2 | Low | 52.7 | Low | 107 Ų | 107 | 119 Ų | 119 | 65% | 0.648 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.8 | -36.8 | 174.8 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | D426 M427 | D426-V430 WeakPolarHBondContact O-CG2 3.29Å; D426-V430 PolarHBondContact O-N 3.14Å; M427-V430 PolarHBondContact O-N 3.41Å |
| 431 | L | 56.1 | Low | 52.9 | Low | 119 Ų | 119 | 125.1 Ų | 125.1 | 62% | 0.623 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.5 | -35.6 | 178 | -70 | 168.3 | 0 | 0 | 0 | 112.2 | M427 E428 A433 T434 | M427-L431 WeakPolarHBondContact O-CG 3.47Å; M427-L431 PolarHBondContact O-N 3.44Å; M427-L431 VanDerWaalsContact O-N 3.14Å; E428-L431 PolarHBondContact O-N 3.06Å; L431-A433 VanDerWaalsContact C-N 3.3Å; L431-A433 PolarHBondContact O-N 3.4Å; L431-T434 PolarHBondContact O-N 3.03Å; L431-T434 PolarHBondContact O-OG1 3.07Å |
| 432 | A | 50.5 | Low | 52.4 | Low | 66 Ų | 66 | 127.8 Ų | 127.8 | 55% | 0.545 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -66.8 | -29 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E428 T434 K435 | E428-A432 VanDerWaalsContact O-CB 3.28Å; E428-A432 WeakPolarHBondContact O-CB 3.41Å; E428-A432 PolarHBondContact O-N 3.37Å; A432-T434 PolarHBondContact O-N 3.06Å; A432-K435 PolarHBondContact O-N 3.46Å |
| 433 | A | 50.2 | Low | 51.6 | Low | 68 Ų | 68 | 128 Ų | 128 | 56% | 0.562 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -10.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S429 L431 | S429-A433 PolarHBondContact O-N 2.99Å; L431-A433 VanDerWaalsContact C-N 3.3Å; L431-A433 PolarHBondContact O-N 3.4Å |
| 434 | T | 47.8 | Very low | 51 | Low | 111 Ų | 111 | 135.4 Ų | 135.4 | 68% | 0.681 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 0.9 | 178.2 | 60.9 | 0 | 0 | 0 | 0 | 114.5 | L431 A432 I436 | L431-T434 PolarHBondContact O-N 3.03Å; L431-T434 PolarHBondContact O-OG1 3.07Å; A432-T434 PolarHBondContact O-N 3.06Å; T434-I436 PolarHBondContact O-N 3.23Å; T434-I436 VanDerWaalsContact O-N 3.07Å |
| 435 | K | 51.8 | Low | 50.2 | Low | 191 Ų | 191 | 141 Ų | 141 | 83% | 0.83 | 73% | 0.734 | S | S | * | * | trans | -82.7 | 68.9 | 163.7 | -90.4 | 178.7 | 177.6 | -83.4 | 0 | 110 | A432 | A432-K435 PolarHBondContact O-N 3.46Š| ||
| 436 | I | 51.7 | Low | 49.6 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | -111.4 | 99 | 160 | -73 | 164.6 | 0 | 0 | 0 | 106.6 | T434 | T434-I436 PolarHBondContact O-N 3.23Å; T434-I436 VanDerWaalsContact O-N 3.07Å | ||
| 437 | D | 41.3 | Very low | 49.2 | Very low | 139 Ų | 139 | 146 Ų | 146 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 26.1 | 110.7 | 153.5 | -64.7 | -28.4 | 0 | 0 | 0 | 118.3 | ||||
| 438 | K | 48.8 | Very low | 48.6 | Very low | 195 Ų | 195 | 147.2 Ų | 147.2 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -45.7 | 144.6 | 138.7 | -70.1 | 172.2 | 173.7 | -180 | 0 | 107.9 | ||
| 439 | E | 47.7 | Very low | 48.1 | Very low | 161 Ų | 161 | 147.4 Ų | 147.4 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | 100.3 | 57.5 | -173.3 | -49 | -46.7 | 126.2 | 0 | 0 | 114.8 | ||||
| 440 | N | 42.4 | Very low | 47.4 | Very low | 156 Ų | 156 | 151.6 Ų | 151.6 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -144.9 | 56.7 | 154.2 | -134.8 | 57 | 0 | 0 | 0 | 111.6 | ||||
| 441 | F | 48.4 | Very low | 46.7 | Very low | 192 Ų | 192 | 154.6 Ų | 154.6 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | trans | -81.1 | 107.7 | 159.4 | -76.4 | -85.4 | 0 | 0 | 0 | 108.6 | ||||
| 442 | L | 41.2 | Very low | 46 | Very low | 148 Ų | 148 | 157.1 Ų | 157.1 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | -160.9 | 99.5 | 155.8 | -93.1 | 122.8 | 0 | 0 | 0 | 109.4 | ||||
| 443 | T | 38.5 | Very low | 45.6 | Very low | 119 Ų | 119 | 164.2 Ų | 164.2 | 73% | 0.73 | 82% | 0.817 | S | S | * | * | 65.1 | 106 | 111.2 | 49.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 444 | W | 43.6 | Very low | 45.3 | Very low | 262 Ų | 262 | 172.2 Ų | 172.2 | 99% | 0.992 | 84% | 0.839 | S | S | * | * | trans | -73.6 | 126.3 | 164 | -70.9 | 59.5 | 0 | 0 | 0 | 109.2 | ||||
| 445 | L | 39.9 | Very low | 45 | Very low | 246 Ų | 246 | 177.7 Ų | 177.7 | 100% | 1.288 | 85% | 0.853 | S | S | * | * | trans | -138.3 | 0 | 160.3 | -118.1 | 151.1 | 0 | 0 | 0 | 108 |
Retrieved 445 of 445 residues in 151.9 ms
(Link to these results)