| 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 | 35.6 | Very low | 43.5 | Very low | 238 Ų | 238 | 151.4 Ų | 151.4 | 100% | 1.172 | 84% | 0.843 | S | S | * | * | 0 | 129.6 | 0 | -64.3 | 157 | 161.8 | 0 | 0 | 107.8 | |||||
| 2 | C | 40.7 | Very low | 43.1 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 72% | 0.723 | 83% | 0.827 | S | S | * | * | cis | -154 | 138.9 | -14.5 | -89 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | H | 41 | Very low | 43.2 | Very low | 184 Ų | 184 | 144.7 Ų | 144.7 | 85% | 0.852 | 82% | 0.821 | S | S | * | * | trans | 41.6 | 118.7 | 148.4 | -64.5 | -94.1 | 0 | 0 | 0 | 120.7 | ||||
| 4 | G | 46.2 | Very low | 43.1 | Very low | 79 Ų | 79 | 147.2 Ų | 147.2 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -74.3 | 177 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 5 | R | 44.4 | Very low | 43 | Very low | 252 Ų | 252 | 143.5 Ų | 143.5 | 95% | 0.951 | 82% | 0.815 | S | S | * | * | trans | -125.9 | 123.1 | 168.5 | -85.6 | -176.1 | 155 | 95.5 | -2.6 | 109.8 | ||||
| 6 | I | 50.2 | Low | 43.1 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -85 | 127.1 | 171.6 | -62.1 | 160.5 | 0 | 0 | 0 | 106.9 | ||
| 7 | A | 47.4 | Very low | 43.3 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 132.6 | 172 | 0 | 0 | 0 | 0 | 0 | 109.8 | K9 | A7-K9 PolarHBondContact O-N 3.18Š|
| 8 | P | 47.4 | Very low | 43.8 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 128.2 | -178.8 | 28.7 | -33.3 | 0 | 0 | 0 | 111.2 | S10 | P8-S10 PolarHBondContact O-N 2.87Š|
| 9 | K | 41.4 | Very low | 44.3 | Very low | 191 Ų | 191 | 136.5 Ų | 136.5 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | trans | -75 | 111.7 | 171.5 | -164.4 | 171.9 | -173.7 | 176.4 | 0 | 108.2 | A7 T11 | A7-K9 PolarHBondContact O-N 3.18Å; K9-T11 VanDerWaalsContact C-N 3.33Å; K9-T11 PolarHBondContact O-N 2.96Å | ||
| 10 | S | 39.3 | Very low | 44.8 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -74.2 | 83.7 | -179.5 | -167.9 | 0 | 0 | 0 | 0 | 111.4 | P8 S12 | P8-S10 PolarHBondContact O-N 2.87Å; S10-S12 PolarHBondContact O-N 3.19Å | ||
| 11 | T | 44.7 | Very low | 45.4 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | trans | -82.6 | 99.1 | 164 | 36.8 | 0 | 0 | 0 | 0 | 109.2 | K9 V13 | K9-T11 VanDerWaalsContact C-N 3.33Å; K9-T11 PolarHBondContact O-N 2.96Å; T11-V13 VanDerWaalsContact C-N 3.32Å; T11-V13 PolarHBondContact O-N 3.21Å | ||
| 12 | S | 39.1 | Very low | 46.5 | Very low | 92 Ų | 92 | 124.8 Ų | 124.8 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | trans | -69.6 | 87.1 | 171.8 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | S10 F14 | S10-S12 PolarHBondContact O-N 3.19Å; S12-F14 PolarHBondContact O-N 2.99Å; S12-F14 VanDerWaalsContact O-N 3.15Å | ||
| 13 | V | 43.9 | Very low | 47.4 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | -70.1 | 105.7 | 167.4 | 179.1 | 0 | 0 | 0 | 0 | 107.4 | T11 A15 | T11-V13 VanDerWaalsContact C-N 3.32Å; T11-V13 PolarHBondContact O-N 3.21Å; V13-A15 PolarHBondContact O-N 3.15Å | ||
| 14 | F | 42.2 | Very low | 48.4 | Very low | 180 Ų | 180 | 121.9 Ų | 121.9 | 79% | 0.789 | 73% | 0.734 | S | S | * | * | trans | -64.5 | 103.7 | 167.5 | -87 | -89.4 | 0 | 0 | 0 | 108.5 | S12 V16 | S12-F14 PolarHBondContact O-N 2.99Å; S12-F14 VanDerWaalsContact O-N 3.15Å; F14-V16 PolarHBondContact O-N 2.97Å | ||
| 15 | A | 40.8 | Very low | 49.4 | Very low | 92 Ų | 92 | 123.5 Ų | 123.5 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | trans | -65.7 | 103.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | V13 A17 | V13-A15 PolarHBondContact O-N 3.15Å; A15-A17 VanDerWaalsContact C-N 3.27Å; A15-A17 PolarHBondContact O-N 3.45Å | ||
| 16 | V | 44.9 | Very low | 50.5 | Low | 143 Ų | 143 | 114.9 Ų | 114.9 | 87% | 0.867 | 70% | 0.7 | S | S | * | * | trans | -72.5 | 86.9 | 175.1 | -156 | 0 | 0 | 0 | 0 | 107.8 | F14 S18 | F14-V16 PolarHBondContact O-N 2.97Å; V16-S18 PolarHBondContact O-N 2.81Å | ||
| 17 | A | 47 | Very low | 51.4 | Low | 78 Ų | 78 | 111.4 Ų | 111.4 | 65% | 0.645 | 68% | 0.683 | S | S | * | * | trans | -61.9 | 128.1 | 174 | 0 | 0 | 0 | 0 | 0 | 109 | A15 V19 | A15-A17 VanDerWaalsContact C-N 3.27Å; A15-A17 PolarHBondContact O-N 3.45Å; A17-V19 VanDerWaalsContact C-N 3.34Å; A17-V19 PolarHBondContact O-N 3.47Å | ||
| 18 | S | 52.7 | Low | 52.4 | Low | 115 Ų | 115 | 110.3 Ų | 110.3 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | trans | -67.2 | 90 | 178 | -174 | 0 | 0 | 0 | 0 | 110.3 | V16 | V16-S18 PolarHBondContact O-N 2.81Š| ||
| 19 | V | 53 | Low | 53.4 | Low | 104 Ų | 104 | 108.5 Ų | 108.5 | 63% | 0.63 | 65% | 0.649 | S | S | * | * | trans | -84.7 | 129.6 | 168.6 | 178.1 | 0 | 0 | 0 | 0 | 108 | A17 V23 | A17-V19 VanDerWaalsContact C-N 3.34Å; A17-V19 PolarHBondContact O-N 3.47Å; V19-V23 HydrophobicContact CG1-CB 4.42Å | ||
| 20 | G | 53.8 | Low | 54.7 | Low | 44 Ų | 44 | 103.8 Ų | 103.8 | 45% | 0.454 | 63% | 0.632 | S | S | . | * | trans | -56.1 | 142.9 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G22 V23 | G20-G22 PolarHBondContact O-N 3.08Å; G20-V23 PolarHBondContact O-N 3.48Å | ||
| 21 | H | 56.8 | Low | 56 | Low | 159 Ų | 159 | 102 Ų | 102 | 74% | 0.736 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -58 | -21.4 | -174.7 | -58.7 | 3 | 0 | 0 | 0 | 113.7 | V23 | H21-V23 VanDerWaalsContact C-N 3.32Å; H21-V23 PolarHBondContact O-N 3.07Å |
| 22 | G | 60.7 | Low | 57.1 | Low | 63 Ų | 63 | 100.5 Ų | 100.5 | 65% | 0.649 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.1 | -15.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | G20 P26 | G20-G22 PolarHBondContact O-N 3.08Å; G22-P26 WeakPolarHBondContact O-CD 3.44Å; G22-P26 VanDerWaalsContact O-CG 3.26Å; G22-P26 WeakPolarHBondContact O-CG 3.4Å |
| 23 | V | 58.9 | Low | 58.2 | Low | 87 Ų | 87 | 102.2 Ų | 102.2 | 53% | 0.527 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -99.4 | -26.2 | 174.8 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | V19 G20 H21 P26 L27 | V19-V23 HydrophobicContact CG1-CB 4.42Å; G20-V23 PolarHBondContact O-N 3.48Å; H21-V23 VanDerWaalsContact C-N 3.32Å; H21-V23 PolarHBondContact O-N 3.07Å; V23-P26 WeakPolarHBondContact O-CD 3.49Å; V23-P26 WeakPolarHBondContact O-CG 3.35Å; V23-L27 VanDerWaalsContact O-CB 3.24Å; V23-L27 WeakPolarHBondContact O-CB 3.3Å; V23-L27 PolarHBondContact O-N 3.38Å |
| 24 | F | 62.7 | Low | 58.9 | Low | 142 Ų | 142 | 102.3 Ų | 102.3 | 62% | 0.623 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.5 | -41.4 | 179 | -155 | -94.7 | 0 | 0 | 0 | 112.1 | L27 V28 | F24-L27 PolarHBondContact O-N 2.9Å; F24-V28 HydrophobicContact CD1-CG2 3.78Å; F24-V28 HydrophobicContact CE1-CG2 3.68Å; F24-V28 HydrophobicContact CZ-CG2 4.42Å; F24-V28 WeakPolarHBondContact O-CB 3.31Å; F24-V28 VanDerWaalsContact O-CG2 3.25Å; F24-V28 WeakPolarHBondContact O-CG2 3.29Å; F24-V28 PolarHBondContact O-N 2.9Å |
| 25 | L | 65.4 | Low | 59.6 | Low | 114 Ų | 114 | 96.1 Ų | 96.1 | 60% | 0.597 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61 | -54.9 | 175.6 | -81.9 | 162.6 | 0 | 0 | 0 | 113.7 | L27 V28 I29 | L25-L27 VanDerWaalsContact C-N 3.28Å; L25-L27 PolarHBondContact O-N 3.3Å; L25-V28 PolarHBondContact O-N 3.3Å; L25-I29 WeakPolarHBondContact O-CB 3.43Å; L25-I29 WeakPolarHBondContact O-CD1 3.43Å; L25-I29 WeakPolarHBondContact O-CG1 3.32Å; L25-I29 PolarHBondContact O-N 2.86Å |
| 26 | P | 68.4 | Low | 60.3 | Low | 71 Ų | 71 | 99.2 Ų | 99.2 | 46% | 0.461 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66 | -28.2 | 177.2 | 25 | -33.8 | 0 | 0 | 0 | 112.9 | G22 V23 L30 | G22-P26 WeakPolarHBondContact O-CD 3.44Å; G22-P26 VanDerWaalsContact O-CG 3.26Å; G22-P26 WeakPolarHBondContact O-CG 3.4Å; V23-P26 WeakPolarHBondContact O-CD 3.49Å; V23-P26 WeakPolarHBondContact O-CG 3.35Å; P26-L30 WeakPolarHBondContact O-CB 2.98Å; P26-L30 PolarHBondContact O-N 3.46Å |
| 27 | L | 68.6 | Low | 60.7 | Low | 96 Ų | 96 | 95.4 Ų | 95.4 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.2 | -44 | 172.5 | -173 | 71.2 | 0 | 0 | 0 | 111.8 | V23 F24 L25 L30 C31 | V23-L27 VanDerWaalsContact O-CB 3.24Å; V23-L27 WeakPolarHBondContact O-CB 3.3Å; V23-L27 PolarHBondContact O-N 3.38Å; F24-L27 PolarHBondContact O-N 2.9Å; L25-L27 VanDerWaalsContact C-N 3.28Å; L25-L27 PolarHBondContact O-N 3.3Å; L27-L30 PolarHBondContact O-N 3.34Å; L27-C31 WeakPolarHBondContact O-CB 3.35Å; L27-C31 PolarHBondContact O-N 3.37Å; L27-C31 PolarHBondContact O-SG 2.94Å |
| 28 | V | 69 | Low | 61.2 | Low | 65 Ų | 65 | 99.3 Ų | 99.3 | 39% | 0.394 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.4 | -43.6 | 174.9 | 168.3 | 0 | 0 | 0 | 0 | 110.6 | F24 L25 L30 C31 T32 | F24-V28 HydrophobicContact CD1-CG2 3.78Å; F24-V28 HydrophobicContact CE1-CG2 3.68Å; F24-V28 HydrophobicContact CZ-CG2 4.42Å; F24-V28 WeakPolarHBondContact O-CB 3.31Å; F24-V28 VanDerWaalsContact O-CG2 3.25Å; F24-V28 WeakPolarHBondContact O-CG2 3.29Å; F24-V28 PolarHBondContact O-N 2.9Å; L25-V28 PolarHBondContact O-N 3.3Å; V28-L30 VanDerWaalsContact C-N 3.35Å; V28-L30 PolarHBondContact O-N 3.49Å; V28-C31 PolarHBondContact O-N 2.67Å; V28-T32 PolarHBondContact O-N 3.5Å; V28-T32 PolarHBondContact O-OG1 3.24Å |
| 29 | I | 69 | Low | 61.6 | Low | 89 Ų | 89 | 97.5 Ų | 97.5 | 46% | 0.456 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.9 | -43.9 | 174.8 | -69.5 | 163.8 | 0 | 0 | 0 | 110.4 | L25 T32 L33 | L25-I29 WeakPolarHBondContact O-CB 3.43Å; L25-I29 WeakPolarHBondContact O-CD1 3.43Å; L25-I29 WeakPolarHBondContact O-CG1 3.32Å; L25-I29 PolarHBondContact O-N 2.86Å; I29-T32 WeakPolarHBondContact CA-OG1 3.47Å; I29-T32 PolarHBondContact O-N 3.46Å; I29-T32 PolarHBondContact O-OG1 2.89Å; I29-L33 HydrophobicContact CG2-CD1 3.68Å; I29-L33 HydrophobicContact CG2-CG 4.32Å; I29-L33 WeakPolarHBondContact O-CB 3.29Å; I29-L33 VanDerWaalsContact O-CG 3.23Å; I29-L33 WeakPolarHBondContact O-CG 3.45Å; I29-L33 PolarHBondContact O-N 3.27Å |
| 30 | L | 67.9 | Low | 62.8 | Low | 91 Ų | 91 | 94.7 Ų | 94.7 | 48% | 0.476 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.5 | -42.3 | 174.8 | -175.9 | 66.6 | 0 | 0 | 0 | 111.6 | P26 L27 V28 L33 L34 | P26-L30 WeakPolarHBondContact O-CB 2.98Å; P26-L30 PolarHBondContact O-N 3.46Å; L27-L30 PolarHBondContact O-N 3.34Å; V28-L30 VanDerWaalsContact C-N 3.35Å; V28-L30 PolarHBondContact O-N 3.49Å; L30-L33 PolarHBondContact O-N 3.31Å; L30-L34 HydrophobicContact CD1-CD1 3.86Å; L30-L34 HydrophobicContact CG-CD1 4.41Å; L30-L34 WeakPolarHBondContact O-CB 3.2Å; L30-L34 PolarHBondContact O-N 3.45Å |
| 31 | C | 67 | Low | 64.6 | Low | 81 Ų | 81 | 95.5 Ų | 95.5 | 55% | 0.547 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.6 | -38.2 | 175.5 | -72.1 | 0 | 0 | 0 | 0 | 112.6 | L27 V28 G35 | L27-C31 WeakPolarHBondContact O-CB 3.35Å; L27-C31 PolarHBondContact O-N 3.37Å; L27-C31 PolarHBondContact O-SG 2.94Å; V28-C31 PolarHBondContact O-N 2.67Å; C31-G35 PolarHBondContact O-N 2.92Å |
| 32 | T | 67.1 | Low | 66.2 | Low | 80 Ų | 80 | 88.2 Ų | 88.2 | 49% | 0.491 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.6 | -37.5 | 173.2 | 50.4 | 0 | 0 | 0 | 0 | 112.1 | V28 I29 G35 | V28-T32 PolarHBondContact O-N 3.5Å; V28-T32 PolarHBondContact O-OG1 3.24Å; I29-T32 WeakPolarHBondContact CA-OG1 3.47Å; I29-T32 PolarHBondContact O-N 3.46Å; I29-T32 PolarHBondContact O-OG1 2.89Å; T32-G35 PolarHBondContact O-N 2.62Å |
| 33 | L | 61.7 | Low | 67.6 | Low | 128 Ų | 128 | 89.2 Ų | 89.2 | 67% | 0.67 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -75.2 | -25.9 | 178.3 | -69.9 | 171.3 | 0 | 0 | 0 | 113.5 | I29 L30 | I29-L33 HydrophobicContact CG2-CD1 3.68Å; I29-L33 HydrophobicContact CG2-CG 4.32Å; I29-L33 WeakPolarHBondContact O-CB 3.29Å; I29-L33 VanDerWaalsContact O-CG 3.23Å; I29-L33 WeakPolarHBondContact O-CG 3.45Å; I29-L33 PolarHBondContact O-N 3.27Å; L30-L33 PolarHBondContact O-N 3.31Å |
| 34 | L | 60.2 | Low | 69 | Low | 127 Ų | 127 | 90.8 Ų | 90.8 | 67% | 0.665 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -83.6 | -20.5 | 170 | -103.4 | 62.5 | 0 | 0 | 0 | 113 | L30 | L30-L34 HydrophobicContact CD1-CD1 3.86Å; L30-L34 HydrophobicContact CG-CD1 4.41Å; L30-L34 WeakPolarHBondContact O-CB 3.2Å; L30-L34 PolarHBondContact O-N 3.45Å |
| 35 | G | 55.4 | Low | 70.3 | Confident | 49 Ų | 49 | 84.3 Ų | 84.3 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70 | -37.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C31 T32 G37 | C31-G35 PolarHBondContact O-N 2.92Å; T32-G35 PolarHBondContact O-N 2.62Å; G35-G37 VanDerWaalsContact C-N 3.34Å; G35-G37 PolarHBondContact O-N 3.12Å |
| 36 | D | 57.3 | Low | 71.3 | Confident | 158 Ų | 158 | 83.2 Ų | 83.2 | 85% | 0.845 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 25.9 | -170.1 | -63.4 | -33.2 | 0 | 0 | 0 | 113.7 | ||
| 37 | G | 51.8 | Low | 72.2 | Confident | 62 Ų | 62 | 86.3 Ų | 86.3 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.9 | -7.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | G35 A39 | G35-G37 VanDerWaalsContact C-N 3.34Å; G35-G37 PolarHBondContact O-N 3.12Å; G37-A39 PolarHBondContact O-N 2.78Å |
| 38 | L | 58.1 | Low | 73.3 | Confident | 160 Ų | 160 | 82.4 Ų | 82.4 | 84% | 0.838 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -75 | 108.7 | 174.4 | -66.3 | 179.5 | 0 | 0 | 0 | 109.2 | S40 | L38-S40 PolarHBondContact O-N 3Å; L38-S40 VanDerWaalsContact O-N 3.13Å |
| 39 | A | 61 | Low | 74.3 | Confident | 77 Ų | 77 | 87 Ų | 87 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | trans | -48 | 124.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | G37 V41 | G37-A39 PolarHBondContact O-N 2.78Å; A39-V41 PolarHBondContact O-N 2.89Å | ||
| 40 | S | 79.3 | Confident | 75.4 | Confident | 46 Ų | 46 | 86 Ų | 86 | 32% | 0.322 | 51% | 0.509 | S | S | . | . | trans | -77 | 73.2 | -167.8 | 40.7 | 0 | 0 | 0 | 0 | 111.4 | L38 A66 | L38-S40 PolarHBondContact O-N 3Å; L38-S40 VanDerWaalsContact O-N 3.13Å; S40-A66 PolarHBondContact O-N 3.32Å; S40-A66 WeakPolarHBondContact OG-CB 3.34Å | ||
| 41 | V | 89.6 | Confident | 76.6 | Confident | 61 Ų | 61 | 83 Ų | 83 | 37% | 0.37 | 50% | 0.5 | S | S | . | . | B | Isolated β-bridge | trans | -74.2 | 129.4 | 175.7 | 169.6 | 0 | 0 | 0 | 0 | 108.9 | A39 P63 L64 T65 G92 | A39-V41 PolarHBondContact O-N 2.89Å; V41-P63 HydrophobicContact CB-CB 4.45Å; V41-P63 HydrophobicContact CG1-CB 3.72Å; V41-P63 HydrophobicContact CG2-CB 3.81Å; V41-P63 HydrophobicContact CG2-CG 4.01Å; V41-L64 WeakPolarHBondContact CA-O 3.49Å; V41-T65 HydrophobicContact CG2-CG2 4.24Å; V41-G92 WeakPolarHBondContact O-CA 3.17Å |
| 42 | C | 90.8 | Very high | 77.9 | Confident | 5 Ų | 5 | 79.8 Ų | 79.8 | 3% | 0.034 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 149.8 | 171 | -70.1 | 0 | 0 | 0 | 0 | 110.9 | L64 C89 E93 W94 | C42-L64 PolarHBondContact N-O 2.78Å; C42-C89 HydrophobicContact CB-CB 3.87Å; C42-C89 WeakPolarHBondContact CB-SG 3.31Å; C42-C89 WeakPolarHBondContact SG-CA 3.34Å; C42-C89 WeakPolarHBondContact SG-CB 2.98Å; C42-C89 CovalentContact SG-SG 2.02Å; C42-C89 PolarHBondContact SG-SG 2.92Å; C42-E93 VanDerWaalsContact SG-C 3.56Å; C42-E93 PolarHBondContact SG-N 3.28Å; C42-E93 VanDerWaalsContact SG-N 3.44Å; C42-W94 HydrophobicContact CB-CD2 4.18Å; C42-W94 HydrophobicContact CB-CH2 4.42Å; C42-W94 HydrophobicContact CB-CZ2 3.66Å |
| 43 | P | 90.5 | Very high | 79.2 | Confident | 84 Ų | 84 | 78.3 Ų | 78.3 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 160.9 | 170.8 | 29 | -35.9 | 0 | 0 | 0 | 110.6 | G92 W94 | P43-G92 VanDerWaalsContact CD-O 3.29Å; P43-G92 WeakPolarHBondContact CD-O 3.31Å; P43-W94 PolarHBondContact O-NE1 3.32Å |
| 44 | L | 89.4 | Confident | 80.7 | Confident | 121 Ų | 121 | 73.8 Ų | 73.8 | 63% | 0.634 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 133 | 173.5 | -165.6 | 69.7 | 0 | 0 | 0 | 109.7 | Y53 | L44-Y53 WeakPolarHBondContact CD1-OH 3.4Š|
| 45 | P | 88.9 | Confident | 82.3 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 3% | 0.032 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 141.3 | 179.2 | -20.3 | 31.2 | 0 | 0 | 0 | 111.7 | E47 Y53 L64 I70 Y72 W94 | P45-E47 PolarHBondContact O-N 2.82Å; P45-Y53 HydrophobicContact CB-CD1 4.13Å; P45-Y53 HydrophobicContact CB-CE1 3.96Å; P45-Y53 HydrophobicContact CB-CE2 4.35Å; P45-Y53 HydrophobicContact CB-CG 4.42Å; P45-Y53 HydrophobicContact CG-CD2 4.21Å; P45-Y53 HydrophobicContact CG-CE1 4.29Å; P45-Y53 HydrophobicContact CG-CE2 3.84Å; P45-L64 HydrophobicContact CG-CD1 4.17Å; P45-I70 HydrophobicContact CB-CD1 3.58Å; P45-I70 HydrophobicContact CG-CD1 3.51Å; P45-I70 HydrophobicContact CG-CG2 4.26Å; P45-Y72 WeakPolarHBondContact CB-OH 3.49Å; P45-W94 HydrophobicContact CG-CH2 4.37Å; P45-W94 HydrophobicContact CG-CZ2 3.71Å |
| 46 | P | 85.7 | Confident | 84.1 | Confident | 92 Ų | 92 | 69.2 Ų | 69.2 | 60% | 0.597 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 122.3 | 173 | 28.7 | -33.8 | 0 | 0 | 0 | 110 | Y72 | P46-Y72 WeakPolarHBondContact O-CE1 3.49Å; P46-Y72 PolarHBondContact O-OH 3.5Å; P46-Y72 VanDerWaalsContact O-OH 3.05Å |
| 47 | E | 89.1 | Confident | 85.7 | Confident | 135 Ų | 135 | 66.7 Ų | 66.7 | 63% | 0.631 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -80.1 | 124.3 | 178.4 | -163.1 | 161.8 | -156.1 | 0 | 0 | 110.5 | P45 G52 Y53 | P45-E47 PolarHBondContact O-N 2.82Å; E47-G52 WeakPolarHBondContact OE1-CA 3.34Å; E47-Y53 HydrophobicContact CB-CE1 4.42Å; E47-Y53 HydrophobicContact CG-CD1 4.5Å |
| 48 | P | 89.8 | Confident | 87.6 | Confident | 14 Ų | 14 | 72.1 Ų | 72.1 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 144.8 | -179.1 | 28.5 | -33.8 | 0 | 0 | 0 | 111.7 | G51 Y72 I100 | P48-G51 CarbonylContact O-C 3.6Å; P48-G51 PolarHBondContact O-N 3.21Å; P48-G51 VanDerWaalsContact O-N 3.13Å; P48-Y72 HydrophobicContact CG-CD1 3.96Å; P48-Y72 HydrophobicContact CG-CE1 4.31Å; P48-I100 HydrophobicContact CB-CG2 4.04Å; P48-I100 HydrophobicContact CG-CG2 4.02Å |
| 49 | E | 90.7 | Very high | 89.1 | Confident | 163 Ų | 163 | 69.4 Ų | 69.4 | 76% | 0.762 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 139.8 | 166.4 | -166.3 | 180 | 179.8 | 0 | 0 | 109.9 | G51 C102 | E49-G51 PolarHBondContact O-N 3.44Å; E49-C102 WeakPolarHBondContact O-CB 3.23Å |
| 50 | N | 92.9 | Very high | 90.5 | Very high | 66 Ų | 66 | 68.2 Ų | 68.2 | 35% | 0.353 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 33.9 | -173 | -50.2 | 113.6 | 0 | 0 | 0 | 114.1 | A75 Y78 C102 | N50-A75 VanDerWaalsContact O-CB 3.26Å; N50-A75 WeakPolarHBondContact O-CB 3.22Å; N50-A75 PolarHBondContact O-N 2.91Å; N50-Y78 HydrophobicContact CB-CD1 3.63Å; N50-Y78 HydrophobicContact CB-CD2 4.08Å; N50-Y78 HydrophobicContact CB-CE1 3.56Å; N50-Y78 HydrophobicContact CB-CE2 4.03Å; N50-Y78 HydrophobicContact CB-CG 3.91Å; N50-Y78 VanDerWaalsContact CG-CE1 3.4Å; N50-Y78 VanDerWaalsContact CG-CZ 3.42Å; N50-Y78 PolarHBondContact ND2-OH 2.78Å; N50-Y78 VanDerWaalsContact OD1-CE1 3.25Å; N50-Y78 WeakPolarHBondContact OD1-CE1 3.16Å; N50-C102 HydrophobicContact CB-CB 4.47Å |
| 51 | G | 93.6 | Very high | 90.8 | Very high | 28 Ų | 28 | 75.2 Ų | 75.2 | 29% | 0.289 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | -162.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | P48 E49 L73 | P48-G51 CarbonylContact O-C 3.6Å; P48-G51 PolarHBondContact O-N 3.21Å; P48-G51 VanDerWaalsContact O-N 3.13Å; E49-G51 PolarHBondContact O-N 3.44Å; G51-L73 CarbonylContact C-O 3.57Å; G51-L73 WeakPolarHBondContact CA-O 3.02Å |
| 52 | G | 93.8 | Very high | 90.7 | Very high | 14 Ų | 14 | 78.4 Ų | 78.4 | 14% | 0.144 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.1 | -177 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | E47 Y72 L73 | E47-G52 WeakPolarHBondContact OE1-CA 3.34Å; G52-Y72 WeakPolarHBondContact O-CA 3.3Å; G52-Y72 WeakPolarHBondContact O-CD1 3.46Å; G52-L73 PolarHBondContact N-O 2.91Å; G52-L73 PolarHBondContact O-N 3.24Å |
| 53 | Y | 93.9 | Very high | 90.5 | Very high | 50 Ų | 50 | 82 Ų | 82 | 20% | 0.196 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 159.1 | 172.7 | 64.2 | -87.9 | 0 | 0 | 0 | 113 | L44 P45 E47 I70 E71 Y72 | L44-Y53 WeakPolarHBondContact CD1-OH 3.4Å; P45-Y53 HydrophobicContact CB-CD1 4.13Å; P45-Y53 HydrophobicContact CB-CE1 3.96Å; P45-Y53 HydrophobicContact CB-CE2 4.35Å; P45-Y53 HydrophobicContact CB-CG 4.42Å; P45-Y53 HydrophobicContact CG-CD2 4.21Å; P45-Y53 HydrophobicContact CG-CE1 4.29Å; P45-Y53 HydrophobicContact CG-CE2 3.84Å; E47-Y53 HydrophobicContact CB-CE1 4.42Å; E47-Y53 HydrophobicContact CG-CD1 4.5Å; Y53-I70 HydrophobicContact CD2-CB 4.46Å; Y53-I70 HydrophobicContact CD2-CG2 4.2Å; Y53-E71 CarbonylContact C-O 3.52Å; Y53-E71 VanDerWaalsContact CA-O 3.26Å; Y53-E71 WeakPolarHBondContact CA-O 3.44Å; Y53-Y72 HydrophobicContact CD1-CE1 4.04Å; Y53-Y72 HydrophobicContact CG-CE1 4.26Å |
| 54 | I | 94 | Very high | 90.4 | Very high | 33 Ų | 33 | 78.4 Ų | 78.4 | 17% | 0.169 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 144.8 | 172.9 | 55.8 | 169.7 | 0 | 0 | 0 | 110 | I70 E71 L73 | I54-I70 CarbonylContact O-C 3.29Å; I54-I70 VanDerWaalsContact O-CA 3.25Å; I54-I70 WeakPolarHBondContact O-CA 3.1Å; I54-E71 HydrophobicContact CD1-CB 4.25Å; I54-E71 HydrophobicContact CG1-CB 3.83Å; I54-E71 HydrophobicContact CG1-CG 4.5Å; I54-E71 PolarHBondContact N-O 2.98Å; I54-E71 PolarHBondContact O-N 3.41Å; I54-L73 HydrophobicContact CD1-CD1 4.03Å; I54-L73 HydrophobicContact CG1-CD1 4.14Å; I54-L73 HydrophobicContact CG2-CD1 3.96Å |
| 55 | C | 93.8 | Very high | 90.5 | Very high | 8 Ų | 8 | 75.9 Ų | 75.9 | 5% | 0.054 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 150.1 | 172.5 | -56 | 0 | 0 | 0 | 0 | 112 | P57 R58 C60 V69 | C55-P57 CarbonylContact C-O 3.46Å; C55-P57 CarbonylContact O-C 3.59Å; C55-P57 VanDerWaalsContact O-C 3.29Å; C55-R58 WeakPolarHBondContact O-CG 3.45Å; C55-R58 PolarHBondContact O-N 3.37Å; C55-C60 HydrophobicContact CB-CB 3.84Å; C55-C60 WeakPolarHBondContact CB-SG 3.41Å; C55-C60 WeakPolarHBondContact SG-CA 3.21Å; C55-C60 WeakPolarHBondContact SG-CB 3.12Å; C55-C60 CovalentContact SG-SG 2.03Å; C55-C60 PolarHBondContact SG-SG 3.46Å; C55-V69 WeakPolarHBondContact CA-O 3.24Å |
| 56 | H | 92 | Very high | 90.5 | Very high | 72 Ų | 72 | 77.7 Ų | 77.7 | 33% | 0.333 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 118.5 | 174.8 | -70.7 | -70.7 | 0 | 0 | 0 | 110.1 | V69 E71 | H56-V69 HydrophobicContact CB-CB 4.29Å; H56-V69 PolarHBondContact N-O 3.3Å; H56-E71 IonicContact CD2-OE2 3.88Å; H56-E71 IonicContact CE1-OE2 3.45Å; H56-E71 PolarHBondContact CE1-OE2 3.45Å; H56-E71 IonicContact NE2-OE2 2.74Å; H56-E71 PolarHBondContact NE2-OE2 3.08Å |
| 57 | P | 91.4 | Very high | 90.6 | Very high | 105 Ų | 105 | 76 Ų | 76 | 68% | 0.682 | 42% | 0.416 | S | S | * | . | S | Bend | cis | -69.6 | 159.5 | -7.3 | 32 | -36.2 | 0 | 0 | 0 | 112.6 | C55 | C55-P57 CarbonylContact C-O 3.46Å; C55-P57 CarbonylContact O-C 3.59Å; C55-P57 VanDerWaalsContact O-C 3.29Å |
| 58 | R | 91 | Very high | 90.8 | Very high | 175 Ų | 175 | 70.9 Ų | 70.9 | 66% | 0.66 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -80.1 | 152.1 | 171.4 | -61.3 | -178.9 | -168.1 | 166.8 | 4.5 | 110.8 | C55 | C55-R58 WeakPolarHBondContact O-CG 3.45Å; C55-R58 PolarHBondContact O-N 3.37Å |
| 59 | P | 91.1 | Very high | 91 | Very high | 104 Ų | 104 | 72.2 Ų | 72.2 | 68% | 0.675 | 40% | 0.402 | S | S | * | . | S | Bend | cis | -74.8 | 167.5 | -10.8 | 34 | -36.4 | 0 | 0 | 0 | 111.7 | R61 | P59-R61 PolarHBondContact O-N 3.35Š|
| 60 | C | 89.1 | Confident | 91.2 | Very high | 51 Ų | 51 | 64.4 Ų | 64.4 | 35% | 0.345 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 135.8 | 167 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | C55 | C55-C60 HydrophobicContact CB-CB 3.84Å; C55-C60 WeakPolarHBondContact CB-SG 3.41Å; C55-C60 WeakPolarHBondContact SG-CA 3.21Å; C55-C60 WeakPolarHBondContact SG-CB 3.12Å; C55-C60 CovalentContact SG-SG 2.03Å; C55-C60 PolarHBondContact SG-SG 3.46Å |
| 61 | R | 86.1 | Confident | 91.3 | Very high | 194 Ų | 194 | 62.2 Ų | 62.2 | 73% | 0.732 | 35% | 0.354 | S | S | * | . | trans | -110.8 | 117.9 | 174.9 | -66.8 | -177 | -179.5 | 179.7 | -0.2 | 108 | P59 P63 L64 | P59-R61 PolarHBondContact O-N 3.35Å; R61-P63 CarbonylContact O-C 3.55Å; R61-P63 VanDerWaalsContact O-C 3.23Å; R61-L64 PolarHBondContact O-N 2.89Å | ||
| 62 | D | 86.4 | Confident | 91.4 | Very high | 127 Ų | 127 | 61.3 Ų | 61.3 | 68% | 0.679 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -89.6 | 133.1 | 173.6 | -63 | -54.6 | 0 | 0 | 0 | 110.1 | ||
| 63 | P | 87.1 | Confident | 91.4 | Very high | 82 Ų | 82 | 64.3 Ų | 64.3 | 53% | 0.532 | 35% | 0.354 | S | S | . | . | S | Bend | cis | -79.2 | 148.7 | -1.9 | 32.8 | -35.2 | 0 | 0 | 0 | 113.7 | V41 R61 T65 | V41-P63 HydrophobicContact CB-CB 4.45Å; V41-P63 HydrophobicContact CG1-CB 3.72Å; V41-P63 HydrophobicContact CG2-CB 3.81Å; V41-P63 HydrophobicContact CG2-CG 4.01Å; R61-P63 CarbonylContact O-C 3.55Å; R61-P63 VanDerWaalsContact O-C 3.23Å; P63-T65 PolarHBondContact O-N 2.84Å |
| 64 | L | 89.7 | Confident | 91.4 | Very high | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | trans | -71.6 | 93.4 | 175.8 | -65.4 | 170.4 | 0 | 0 | 0 | 111 | V41 C42 P45 R61 W94 | V41-L64 WeakPolarHBondContact CA-O 3.49Å; C42-L64 PolarHBondContact N-O 2.78Å; P45-L64 HydrophobicContact CG-CD1 4.17Å; R61-L64 PolarHBondContact O-N 2.89Å; L64-W94 HydrophobicContact CB-CH2 4.33Å; L64-W94 HydrophobicContact CB-CZ2 4.2Å; L64-W94 HydrophobicContact CD1-CH2 4.09Å; L64-W94 HydrophobicContact CD1-CZ2 3.75Å | ||
| 65 | T | 90 | Very high | 91.4 | Very high | 68 Ų | 68 | 64.4 Ų | 64.4 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -77.3 | 162.5 | 180 | 58.2 | 0 | 0 | 0 | 0 | 113 | V41 P63 G67 S68 C89 | V41-T65 HydrophobicContact CG2-CG2 4.24Å; P63-T65 PolarHBondContact O-N 2.84Å; T65-G67 PolarHBondContact O-N 2.73Å; T65-S68 PolarHBondContact N-OG 2.94Å; T65-S68 WeakPolarHBondContact O-CB 3.29Å; T65-S68 PolarHBondContact O-N 2.85Å; T65-S68 PolarHBondContact O-OG 3.34Å; T65-C89 VanDerWaalsContact C-SG 3.56Å |
| 66 | A | 89.3 | Confident | 91.3 | Very high | 43 Ų | 43 | 73.4 Ų | 73.4 | 36% | 0.355 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | 137.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S40 C89 | S40-A66 PolarHBondContact O-N 3.32Å; S40-A66 WeakPolarHBondContact OG-CB 3.34Å; A66-C89 WeakPolarHBondContact CA-O 3.43Å; A66-C89 PolarHBondContact N-SG 2.92Å |
| 67 | G | 87.7 | Confident | 91.2 | Very high | 57 Ų | 57 | 71.9 Ų | 71.9 | 59% | 0.588 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | -15 | -171 | 0 | 0 | 0 | 0 | 0 | 114.8 | T65 V69 C89 | T65-G67 PolarHBondContact O-N 2.73Å; G67-V69 PolarHBondContact O-N 3.16Å; G67-C89 PolarHBondContact N-O 3.46Å |
| 68 | S | 92.5 | Very high | 91.2 | Very high | 27 Ų | 27 | 70.5 Ų | 70.5 | 19% | 0.189 | 39% | 0.394 | C | S | . | . | trans | -62 | 135.1 | 173.3 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | T65 T88 C89 | T65-S68 PolarHBondContact N-OG 2.94Å; T65-S68 WeakPolarHBondContact O-CB 3.29Å; T65-S68 PolarHBondContact O-N 2.85Å; T65-S68 PolarHBondContact O-OG 3.34Å; S68-T88 CarbonylContact O-C 3.59Å; S68-T88 WeakPolarHBondContact O-CA 3.28Å; S68-C89 PolarHBondContact O-N 2.86Å | ||
| 69 | V | 94.8 | Very high | 91.3 | Very high | 41 Ų | 41 | 66.2 Ų | 66.2 | 25% | 0.248 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 136.5 | 175.9 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | C55 H56 G67 Y86 L87 T88 | C55-V69 WeakPolarHBondContact CA-O 3.24Å; H56-V69 HydrophobicContact CB-CB 4.29Å; H56-V69 PolarHBondContact N-O 3.3Å; G67-V69 PolarHBondContact O-N 3.16Å; V69-Y86 HydrophobicContact CG1-CD1 4.28Å; V69-L87 CarbonylContact C-O 3.59Å; V69-L87 WeakPolarHBondContact CA-O 3.2Å; V69-T88 HydrophobicContact CG2-CG2 4.15Å |
| 70 | I | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 154.5 | 171.3 | 63.5 | 176.4 | 0 | 0 | 0 | 110.6 | P45 Y53 I54 Y72 Y86 L87 W94 | P45-I70 HydrophobicContact CB-CD1 3.58Å; P45-I70 HydrophobicContact CG-CD1 3.51Å; P45-I70 HydrophobicContact CG-CG2 4.26Å; Y53-I70 HydrophobicContact CD2-CB 4.46Å; Y53-I70 HydrophobicContact CD2-CG2 4.2Å; I54-I70 CarbonylContact O-C 3.29Å; I54-I70 VanDerWaalsContact O-CA 3.25Å; I54-I70 WeakPolarHBondContact O-CA 3.1Å; I70-Y72 HydrophobicContact CD1-CE2 4.14Å; I70-Y86 CarbonylContact O-C 3.23Å; I70-Y86 VanDerWaalsContact O-CA 3.27Å; I70-Y86 WeakPolarHBondContact O-CA 3.4Å; I70-L87 HydrophobicContact CD1-CB 4.24Å; I70-L87 HydrophobicContact CD1-CD1 4.35Å; I70-L87 HydrophobicContact CG1-CB 3.94Å; I70-L87 HydrophobicContact CG1-CD1 4.4Å; I70-L87 PolarHBondContact N-O 3.27Å; I70-L87 PolarHBondContact O-N 2.86Å; I70-W94 HydrophobicContact CB-CZ3 4.47Å; I70-W94 HydrophobicContact CD1-CD2 4.25Å; I70-W94 HydrophobicContact CD1-CE3 4.01Å; I70-W94 HydrophobicContact CD1-CH2 4.32Å; I70-W94 HydrophobicContact CD1-CZ3 4.03Å; I70-W94 HydrophobicContact CG1-CE3 4.14Å; I70-W94 HydrophobicContact CG1-CH2 4.44Å; I70-W94 HydrophobicContact CG1-CZ3 3.9Å; I70-W94 HydrophobicContact CG2-CH2 3.76Å; I70-W94 HydrophobicContact CG2-CZ3 3.96Å |
| 71 | E | 95.1 | Very high | 91.3 | Very high | 20 Ų | 20 | 65.3 Ų | 65.3 | 9% | 0.093 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 126.2 | 172.2 | 179.9 | -178.5 | 174.4 | 0 | 0 | 109.1 | Y53 I54 H56 K85 Y86 | Y53-E71 CarbonylContact C-O 3.52Å; Y53-E71 VanDerWaalsContact CA-O 3.26Å; Y53-E71 WeakPolarHBondContact CA-O 3.44Å; I54-E71 HydrophobicContact CD1-CB 4.25Å; I54-E71 HydrophobicContact CG1-CB 3.83Å; I54-E71 HydrophobicContact CG1-CG 4.5Å; I54-E71 PolarHBondContact N-O 2.98Å; I54-E71 PolarHBondContact O-N 3.41Å; H56-E71 IonicContact CD2-OE2 3.88Å; H56-E71 IonicContact CE1-OE2 3.45Å; H56-E71 PolarHBondContact CE1-OE2 3.45Å; H56-E71 IonicContact NE2-OE2 2.74Å; H56-E71 PolarHBondContact NE2-OE2 3.08Å; E71-K85 CarbonylContact C-O 3.59Å; E71-K85 WeakPolarHBondContact CA-O 3.39Å; E71-K85 HydrophobicContact CG-CD 3.89Å; E71-K85 HydrophobicContact CG-CG 4.15Å; E71-K85 VanDerWaalsContact OE1-CE 3.22Å; E71-K85 WeakPolarHBondContact OE1-CE 3.17Å; E71-K85 IonicContact OE1-NZ 2.66Å; E71-K85 PolarHBondContact OE1-NZ 3.02Å; E71-Y86 HydrophobicContact CB-CD1 3.69Å; E71-Y86 HydrophobicContact CB-CE1 3.56Å; E71-Y86 VanDerWaalsContact CD-CE1 3.5Å; E71-Y86 HydrophobicContact CG-CD1 3.97Å; E71-Y86 HydrophobicContact CG-CE1 3.53Å; E71-Y86 PolarHBondContact OE1-OH 3.43Å; E71-Y86 WeakPolarHBondContact OE2-CE1 3.43Å; E71-Y86 PolarHBondContact OE2-OH 2.67Å |
| 72 | Y | 94.9 | Very high | 91.2 | Very high | 8 Ų | 8 | 58.3 Ų | 58.3 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 143 | 172.9 | -75.5 | -71.1 | 0 | 0 | 0 | 111.7 | P45 P46 P48 G52 Y53 I70 K85 L87 I100 | P45-Y72 WeakPolarHBondContact CB-OH 3.49Å; P46-Y72 WeakPolarHBondContact O-CE1 3.49Å; P46-Y72 PolarHBondContact O-OH 3.5Å; P46-Y72 VanDerWaalsContact O-OH 3.05Å; P48-Y72 HydrophobicContact CG-CD1 3.96Å; P48-Y72 HydrophobicContact CG-CE1 4.31Å; G52-Y72 WeakPolarHBondContact O-CA 3.3Å; G52-Y72 WeakPolarHBondContact O-CD1 3.46Å; Y53-Y72 HydrophobicContact CD1-CE1 4.04Å; Y53-Y72 HydrophobicContact CG-CE1 4.26Å; I70-Y72 HydrophobicContact CD1-CE2 4.14Å; Y72-K85 PolarHBondContact N-O 2.82Å; Y72-L87 HydrophobicContact CD2-CD1 3.7Å; Y72-L87 HydrophobicContact CE2-CD1 3.38Å; Y72-I100 HydrophobicContact CD1-CG2 3.8Å; Y72-I100 HydrophobicContact CD2-CD1 3.73Å; Y72-I100 HydrophobicContact CD2-CG1 3.98Å; Y72-I100 HydrophobicContact CD2-CG2 3.73Å; Y72-I100 HydrophobicContact CE1-CG2 3.92Å; Y72-I100 HydrophobicContact CE2-CB 4.22Å; Y72-I100 HydrophobicContact CE2-CD1 3.65Å; Y72-I100 HydrophobicContact CE2-CG1 3.49Å; Y72-I100 VanDerWaalsContact CE2-CG1 3.49Å; Y72-I100 HydrophobicContact CE2-CG2 3.79Å; Y72-I100 HydrophobicContact CG-CG2 3.73Å |
| 73 | L | 93.7 | Very high | 91 | Very high | 78 Ų | 78 | 60.9 Ų | 60.9 | 41% | 0.408 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 131.6 | 178.3 | -62.1 | 171.6 | 0 | 0 | 0 | 108.2 | G51 G52 I54 | G51-L73 CarbonylContact C-O 3.57Å; G51-L73 WeakPolarHBondContact CA-O 3.02Å; G52-L73 PolarHBondContact N-O 2.91Å; G52-L73 PolarHBondContact O-N 3.24Å; I54-L73 HydrophobicContact CD1-CD1 4.03Å; I54-L73 HydrophobicContact CG1-CD1 4.14Å; I54-L73 HydrophobicContact CG2-CD1 3.96Å |
| 74 | C | 94.6 | Very high | 91.2 | Very high | 38 Ų | 38 | 62.7 Ų | 62.7 | 26% | 0.257 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 156.1 | 172.2 | -63.6 | 0 | 0 | 0 | 0 | 110.7 | Y78 M79 L80 C102 | C74-Y78 WeakPolarHBondContact CB-O 3.28Å; C74-M79 VanDerWaalsContact SG-C 3.53Å; C74-L80 PolarHBondContact SG-N 2.99Å; C74-L80 VanDerWaalsContact SG-N 3.41Å; C74-C102 WeakPolarHBondContact CA-SG 3.15Å; C74-C102 HydrophobicContact CB-CB 3.76Å; C74-C102 WeakPolarHBondContact CB-SG 3.18Å; C74-C102 WeakPolarHBondContact SG-CB 3.47Å; C74-C102 CovalentContact SG-SG 2.04Å; C74-C102 PolarHBondContact SG-SG 3.48Å |
| 75 | A | 94 | Very high | 91.3 | Very high | 46 Ų | 46 | 66.2 Ų | 66.2 | 38% | 0.38 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 165.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N50 G77 Y78 | N50-A75 VanDerWaalsContact O-CB 3.26Å; N50-A75 WeakPolarHBondContact O-CB 3.22Å; N50-A75 PolarHBondContact O-N 2.91Å; A75-G77 PolarHBondContact O-N 3.35Å; A75-Y78 HydrophobicContact CB-CD2 4.29Å; A75-Y78 WeakPolarHBondContact O-CB 3.34Å; A75-Y78 PolarHBondContact O-N 2.9Å |
| 76 | E | 92.1 | Very high | 91.5 | Very high | 197 Ų | 197 | 66.7 Ų | 66.7 | 92% | 0.921 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 131.1 | 178.9 | -174.4 | 169.7 | -164.3 | 0 | 0 | 111.4 | Y78 | E76-Y78 VanDerWaalsContact C-N 3.32Š|
| 77 | G | 89.3 | Confident | 91.7 | Very high | 40 Ų | 40 | 65.1 Ų | 65.1 | 41% | 0.412 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -4.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | A75 N105 | A75-G77 PolarHBondContact O-N 3.35Å; G77-N105 VanDerWaalsContact O-CB 3.26Å; G77-N105 WeakPolarHBondContact O-CB 3.49Å; G77-N105 PolarHBondContact O-N 3.47Å |
| 78 | Y | 92.9 | Very high | 92 | Very high | 77 Ų | 77 | 64.1 Ų | 64.1 | 30% | 0.302 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 149.2 | 177.8 | -67.1 | -107.4 | 0 | 0 | 0 | 112.3 | N50 C74 A75 E76 C102 R103 L104 | N50-Y78 HydrophobicContact CB-CD1 3.63Å; N50-Y78 HydrophobicContact CB-CD2 4.08Å; N50-Y78 HydrophobicContact CB-CE1 3.56Å; N50-Y78 HydrophobicContact CB-CE2 4.03Å; N50-Y78 HydrophobicContact CB-CG 3.91Å; N50-Y78 VanDerWaalsContact CG-CE1 3.4Å; N50-Y78 VanDerWaalsContact CG-CZ 3.42Å; N50-Y78 PolarHBondContact ND2-OH 2.78Å; N50-Y78 VanDerWaalsContact OD1-CE1 3.25Å; N50-Y78 WeakPolarHBondContact OD1-CE1 3.16Å; C74-Y78 WeakPolarHBondContact CB-O 3.28Å; A75-Y78 HydrophobicContact CB-CD2 4.29Å; A75-Y78 WeakPolarHBondContact O-CB 3.34Å; A75-Y78 PolarHBondContact O-N 2.9Å; E76-Y78 VanDerWaalsContact C-N 3.32Å; Y78-C102 HydrophobicContact CD1-CB 4.35Å; Y78-R103 CarbonylContact C-O 3.59Å; Y78-R103 WeakPolarHBondContact CA-O 3.49Å; Y78-L104 HydrophobicContact CE2-CD1 4.42Å |
| 79 | M | 91.3 | Very high | 92 | Very high | 85 Ų | 85 | 62.9 Ų | 62.9 | 42% | 0.419 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 150.8 | 174.5 | -64.6 | -165.3 | -58.7 | 0 | 0 | 111.3 | C74 C102 R103 N105 | C74-M79 VanDerWaalsContact SG-C 3.53Å; M79-C102 CarbonylContact O-C 3.52Å; M79-C102 WeakPolarHBondContact O-CA 3.29Å; M79-R103 PolarHBondContact N-O 3.45Å; M79-R103 PolarHBondContact O-N 3.5Å; M79-N105 HydrophobicContact CE-CB 4.15Å; M79-N105 VanDerWaalsContact CE-CG 3.5Å; M79-N105 WeakPolarHBondContact CE-OD1 3.17Å; M79-N105 HydrophobicContact CG-CB 4Å; M79-N105 HydrophobicContact SD-CB 4.37Å; M79-N105 PolarHBondContact SD-ND2 3.24Å |
| 80 | L | 91.9 | Very high | 91.9 | Very high | 35 Ų | 35 | 66.3 Ų | 66.3 | 18% | 0.183 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 139.1 | 175.1 | -175.2 | 66.9 | 0 | 0 | 0 | 109.9 | C74 G82 Y84 K85 I100 | C74-L80 PolarHBondContact SG-N 2.99Å; C74-L80 VanDerWaalsContact SG-N 3.41Å; L80-G82 VanDerWaalsContact C-N 3.31Å; L80-G82 PolarHBondContact O-N 3.37Å; L80-Y84 WeakPolarHBondContact CD2-O 3.41Å; L80-K85 HydrophobicContact CD2-CB 3.81Å; L80-I100 HydrophobicContact CD1-CG2 3.8Å |
| 81 | K | 88.6 | Confident | 91.6 | Very high | 101 Ų | 101 | 73.1 Ų | 73.1 | 44% | 0.439 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -69.6 | 84 | 172.9 | -173.6 | -169.2 | 178.9 | -170.5 | 0 | 110.5 | E99 S101 R103 | K81-E99 IonicContact NZ-OE1 2.64Å; K81-E99 PolarHBondContact NZ-OE1 2.94Å; K81-E99 IonicContact NZ-OE2 2.61Å; K81-E99 PolarHBondContact NZ-OE2 3.01Å; K81-S101 WeakPolarHBondContact CB-O 3.26Å; K81-S101 WeakPolarHBondContact CB-OG 3.41Å; K81-S101 WeakPolarHBondContact CD-OG 3.36Å; K81-S101 PolarHBondContact N-O 3.06Å; K81-R103 HydrophobicContact CB-CG 4.44Å |
| 82 | G | 84.8 | Confident | 91.4 | Very high | 46 Ų | 46 | 73.2 Ų | 73.2 | 47% | 0.474 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 116.6 | 164.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L80 Y84 | L80-G82 VanDerWaalsContact C-N 3.31Å; L80-G82 PolarHBondContact O-N 3.37Å; G82-Y84 VanDerWaalsContact C-N 3.34Å; G82-Y84 PolarHBondContact O-N 2.89Å |
| 83 | D | 82.5 | Confident | 91.2 | Very high | 181 Ų | 181 | 78.1 Ų | 78.1 | 97% | 0.968 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -81.8 | -8.1 | -164.3 | -47.4 | -54.2 | 0 | 0 | 0 | 114.7 | ||
| 84 | Y | 89.8 | Confident | 91.2 | Very high | 121 Ų | 121 | 75.8 Ų | 75.8 | 48% | 0.475 | 39% | 0.394 | S | S | . | . | trans | -111.3 | 114.2 | -173.8 | -157.9 | -109.6 | 0 | 0 | 0 | 111.9 | L80 G82 Y86 P96 M98 | L80-Y84 WeakPolarHBondContact CD2-O 3.41Å; G82-Y84 VanDerWaalsContact C-N 3.34Å; G82-Y84 PolarHBondContact O-N 2.89Å; Y84-Y86 VanDerWaalsContact CD1-O 3.29Å; Y84-Y86 WeakPolarHBondContact CD1-O 3.36Å; Y84-Y86 WeakPolarHBondContact CE1-O 3.22Å; Y84-P96 HydrophobicContact CD1-CG 3.67Å; Y84-P96 HydrophobicContact CE1-CG 3.82Å; Y84-M98 HydrophobicContact CD1-CE 3.75Å; Y84-M98 HydrophobicContact CD1-SD 4.14Å; Y84-M98 WeakPolarHBondContact O-CE 3.17Å | ||
| 85 | K | 92.6 | Very high | 91.1 | Very high | 81 Ų | 81 | 77.6 Ų | 77.6 | 35% | 0.352 | 40% | 0.398 | S | S | . | . | trans | -103.7 | -4.4 | -174.9 | 62 | 174.9 | 175.4 | 167.2 | 0 | 115.6 | E71 Y72 L80 | E71-K85 CarbonylContact C-O 3.59Å; E71-K85 WeakPolarHBondContact CA-O 3.39Å; E71-K85 HydrophobicContact CG-CD 3.89Å; E71-K85 HydrophobicContact CG-CG 4.15Å; E71-K85 VanDerWaalsContact OE1-CE 3.22Å; E71-K85 WeakPolarHBondContact OE1-CE 3.17Å; E71-K85 IonicContact OE1-NZ 2.66Å; E71-K85 PolarHBondContact OE1-NZ 3.02Å; Y72-K85 PolarHBondContact N-O 2.82Å; L80-K85 HydrophobicContact CD2-CB 3.81Å | ||
| 86 | Y | 94 | Very high | 90.9 | Very high | 79 Ų | 79 | 78 Ų | 78 | 31% | 0.31 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 146.4 | -176 | -63.5 | -79.4 | 0 | 0 | 0 | 111.6 | V69 I70 E71 Y84 M98 | V69-Y86 HydrophobicContact CG1-CD1 4.28Å; I70-Y86 CarbonylContact O-C 3.23Å; I70-Y86 VanDerWaalsContact O-CA 3.27Å; I70-Y86 WeakPolarHBondContact O-CA 3.4Å; E71-Y86 HydrophobicContact CB-CD1 3.69Å; E71-Y86 HydrophobicContact CB-CE1 3.56Å; E71-Y86 VanDerWaalsContact CD-CE1 3.5Å; E71-Y86 HydrophobicContact CG-CD1 3.97Å; E71-Y86 HydrophobicContact CG-CE1 3.53Å; E71-Y86 PolarHBondContact OE1-OH 3.43Å; E71-Y86 WeakPolarHBondContact OE2-CE1 3.43Å; E71-Y86 PolarHBondContact OE2-OH 2.67Å; Y84-Y86 VanDerWaalsContact CD1-O 3.29Å; Y84-Y86 WeakPolarHBondContact CD1-O 3.36Å; Y84-Y86 WeakPolarHBondContact CE1-O 3.22Å; Y86-M98 WeakPolarHBondContact O-CE 3.12Å |
| 87 | L | 93.6 | Very high | 90.8 | Very high | 10 Ų | 10 | 72.8 Ų | 72.8 | 5% | 0.052 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 147.1 | 160.7 | -63.7 | 87.5 | 0 | 0 | 0 | 110.8 | V69 I70 Y72 W94 K95 P96 M98 I100 | V69-L87 CarbonylContact C-O 3.59Å; V69-L87 WeakPolarHBondContact CA-O 3.2Å; I70-L87 HydrophobicContact CD1-CB 4.24Å; I70-L87 HydrophobicContact CD1-CD1 4.35Å; I70-L87 HydrophobicContact CG1-CB 3.94Å; I70-L87 HydrophobicContact CG1-CD1 4.4Å; I70-L87 PolarHBondContact N-O 3.27Å; I70-L87 PolarHBondContact O-N 2.86Å; Y72-L87 HydrophobicContact CD2-CD1 3.7Å; Y72-L87 HydrophobicContact CE2-CD1 3.38Å; L87-W94 HydrophobicContact CB-CB 4.33Å; L87-W94 HydrophobicContact CB-CE3 3.9Å; L87-W94 HydrophobicContact CD2-CB 3.68Å; L87-K95 CarbonylContact C-O 3.6Å; L87-K95 WeakPolarHBondContact CA-O 3.42Å; L87-P96 WeakPolarHBondContact CD2-O 3.49Å; L87-M98 HydrophobicContact CD1-CE 3.51Å; L87-M98 HydrophobicContact CD2-CE 4.37Å; L87-M98 HydrophobicContact CG-CE 3.79Å; L87-I100 HydrophobicContact CD1-CD1 4.14Å |
| 88 | T | 93.8 | Very high | 90.6 | Very high | 36 Ų | 36 | 74.1 Ų | 74.1 | 22% | 0.221 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.7 | 174.1 | -50.9 | 0 | 0 | 0 | 0 | 109.3 | S68 V69 K90 K95 | S68-T88 CarbonylContact O-C 3.59Å; S68-T88 WeakPolarHBondContact O-CA 3.28Å; V69-T88 HydrophobicContact CG2-CG2 4.15Å; T88-K90 HydrophobicContact CG2-CG 4.06Å; T88-K90 PolarHBondContact O-N 3.39Å; T88-K95 PolarHBondContact N-O 3.1Å; T88-K95 PolarHBondContact O-N 3.25Å |
| 89 | C | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 117.7 | 169.2 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | C42 T65 A66 G67 S68 W94 | C42-C89 HydrophobicContact CB-CB 3.87Å; C42-C89 WeakPolarHBondContact CB-SG 3.31Å; C42-C89 WeakPolarHBondContact SG-CA 3.34Å; C42-C89 WeakPolarHBondContact SG-CB 2.98Å; C42-C89 CovalentContact SG-SG 2.02Å; C42-C89 PolarHBondContact SG-SG 2.92Å; T65-C89 VanDerWaalsContact C-SG 3.56Å; A66-C89 WeakPolarHBondContact CA-O 3.43Å; A66-C89 PolarHBondContact N-SG 2.92Å; G67-C89 PolarHBondContact N-O 3.46Å; S68-C89 PolarHBondContact O-N 2.86Å; C89-W94 HydrophobicContact CB-CE3 4.09Å; C89-W94 HydrophobicContact CB-CH2 3.92Å; C89-W94 HydrophobicContact CB-CZ2 4.46Å; C89-W94 HydrophobicContact CB-CZ3 3.73Å |
| 90 | K | 92.4 | Very high | 90.3 | Very high | 113 Ų | 113 | 73.5 Ų | 73.5 | 49% | 0.491 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 118.9 | 177.3 | -65.9 | -173.9 | 178.7 | -178.9 | 0 | 108.9 | T88 G92 E93 K95 | T88-K90 HydrophobicContact CG2-CG 4.06Å; T88-K90 PolarHBondContact O-N 3.39Å; K90-G92 PolarHBondContact O-N 3.43Å; K90-G92 VanDerWaalsContact O-N 3.14Å; K90-E93 PolarHBondContact N-O 3.4Å; K90-E93 PolarHBondContact O-N 2.88Å; K90-E93 VanDerWaalsContact O-O 3.11Å; K90-K95 HydrophobicContact CB-CG 4.22Å; K90-K95 HydrophobicContact CD-CB 4.4Å; K90-K95 HydrophobicContact CD-CG 4.43Å |
| 91 | N | 89.6 | Confident | 90.3 | Very high | 144 Ų | 144 | 72.7 Ų | 72.7 | 77% | 0.77 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 32.3 | 175.7 | -59.7 | 78 | 0 | 0 | 0 | 114.3 | ||
| 92 | G | 89.3 | Confident | 90.6 | Very high | 21 Ų | 21 | 68.5 Ų | 68.5 | 22% | 0.216 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -1.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V41 P43 K90 | V41-G92 WeakPolarHBondContact O-CA 3.17Å; P43-G92 VanDerWaalsContact CD-O 3.29Å; P43-G92 WeakPolarHBondContact CD-O 3.31Å; K90-G92 PolarHBondContact O-N 3.43Å; K90-G92 VanDerWaalsContact O-N 3.14Å |
| 93 | E | 91.9 | Very high | 90.9 | Very high | 111 Ų | 111 | 73 Ų | 73 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 143.5 | 177.5 | -61.3 | -173.5 | 149.6 | 0 | 0 | 112 | C42 K90 K95 | C42-E93 VanDerWaalsContact SG-C 3.56Å; C42-E93 PolarHBondContact SG-N 3.28Å; C42-E93 VanDerWaalsContact SG-N 3.44Å; K90-E93 PolarHBondContact N-O 3.4Å; K90-E93 PolarHBondContact O-N 2.88Å; K90-E93 VanDerWaalsContact O-O 3.11Å; E93-K95 WeakPolarHBondContact OE2-CE 3.49Å; E93-K95 IonicContact OE2-NZ 2.95Å; E93-K95 PolarHBondContact OE2-NZ 3.34Å |
| 94 | W | 92.5 | Very high | 91.4 | Very high | 29 Ų | 29 | 69.4 Ų | 69.4 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 129.3 | 169.3 | -67.3 | 108.7 | 0 | 0 | 0 | 110.5 | C42 P43 P45 L64 I70 L87 C89 | C42-W94 HydrophobicContact CB-CD2 4.18Å; C42-W94 HydrophobicContact CB-CH2 4.42Å; C42-W94 HydrophobicContact CB-CZ2 3.66Å; P43-W94 PolarHBondContact O-NE1 3.32Å; P45-W94 HydrophobicContact CG-CH2 4.37Å; P45-W94 HydrophobicContact CG-CZ2 3.71Å; L64-W94 HydrophobicContact CB-CH2 4.33Å; L64-W94 HydrophobicContact CB-CZ2 4.2Å; L64-W94 HydrophobicContact CD1-CH2 4.09Å; L64-W94 HydrophobicContact CD1-CZ2 3.75Å; I70-W94 HydrophobicContact CB-CZ3 4.47Å; I70-W94 HydrophobicContact CD1-CD2 4.25Å; I70-W94 HydrophobicContact CD1-CE3 4.01Å; I70-W94 HydrophobicContact CD1-CH2 4.32Å; I70-W94 HydrophobicContact CD1-CZ3 4.03Å; I70-W94 HydrophobicContact CG1-CE3 4.14Å; I70-W94 HydrophobicContact CG1-CH2 4.44Å; I70-W94 HydrophobicContact CG1-CZ3 3.9Å; I70-W94 HydrophobicContact CG2-CH2 3.76Å; I70-W94 HydrophobicContact CG2-CZ3 3.96Å; L87-W94 HydrophobicContact CB-CB 4.33Å; L87-W94 HydrophobicContact CB-CE3 3.9Å; L87-W94 HydrophobicContact CD2-CB 3.68Å; C89-W94 HydrophobicContact CB-CE3 4.09Å; C89-W94 HydrophobicContact CB-CH2 3.92Å; C89-W94 HydrophobicContact CB-CZ2 4.46Å; C89-W94 HydrophobicContact CB-CZ3 3.73Å |
| 95 | K | 92.4 | Very high | 91 | Very high | 77 Ų | 77 | 65.3 Ų | 65.3 | 34% | 0.335 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 141.1 | 178.4 | -60.3 | -62.9 | 178.3 | -169.6 | 0 | 111.3 | L87 T88 K90 E93 | L87-K95 CarbonylContact C-O 3.6Å; L87-K95 WeakPolarHBondContact CA-O 3.42Å; T88-K95 PolarHBondContact N-O 3.1Å; T88-K95 PolarHBondContact O-N 3.25Å; K90-K95 HydrophobicContact CB-CG 4.22Å; K90-K95 HydrophobicContact CD-CB 4.4Å; K90-K95 HydrophobicContact CD-CG 4.43Å; E93-K95 WeakPolarHBondContact OE2-CE 3.49Å; E93-K95 IonicContact OE2-NZ 2.95Å; E93-K95 PolarHBondContact OE2-NZ 3.34Å |
| 96 | P | 91.4 | Very high | 90.1 | Very high | 54 Ų | 54 | 68.8 Ų | 68.8 | 35% | 0.351 | 35% | 0.35 | S | S | . | . | S | Bend | cis | -70.1 | 155.7 | -3 | 31.8 | -36.3 | 0 | 0 | 0 | 112.2 | Y84 L87 M98 | Y84-P96 HydrophobicContact CD1-CG 3.67Å; Y84-P96 HydrophobicContact CE1-CG 3.82Å; L87-P96 WeakPolarHBondContact CD2-O 3.49Å; P96-M98 HydrophobicContact CG-CE 4.07Å; P96-M98 HydrophobicContact CG-CG 4.37Å; P96-M98 HydrophobicContact CG-SD 3.85Å; P96-M98 PolarHBondContact O-N 3.39Å |
| 97 | A | 88.5 | Confident | 88.5 | Confident | 88 Ų | 88 | 69.7 Ų | 69.7 | 73% | 0.727 | 36% | 0.36 | S | S | * | . | trans | -78.7 | 107.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 98 | M | 86.6 | Confident | 86.5 | Confident | 68 Ų | 68 | 76.5 Ų | 76.5 | 34% | 0.335 | 39% | 0.389 | S | S | . | . | trans | -145.5 | 156 | -176.9 | 60.3 | -176.4 | 175.1 | 0 | 0 | 111.1 | Y84 Y86 L87 P96 I100 | Y84-M98 HydrophobicContact CD1-CE 3.75Å; Y84-M98 HydrophobicContact CD1-SD 4.14Å; Y84-M98 WeakPolarHBondContact O-CE 3.17Å; Y86-M98 WeakPolarHBondContact O-CE 3.12Å; L87-M98 HydrophobicContact CD1-CE 3.51Å; L87-M98 HydrophobicContact CD2-CE 4.37Å; L87-M98 HydrophobicContact CG-CE 3.79Å; P96-M98 HydrophobicContact CG-CE 4.07Å; P96-M98 HydrophobicContact CG-CG 4.37Å; P96-M98 HydrophobicContact CG-SD 3.85Å; P96-M98 PolarHBondContact O-N 3.39Å; M98-I100 HydrophobicContact CE-CD1 3.81Å; M98-I100 HydrophobicContact CG-CD1 3.84Å; M98-I100 HydrophobicContact SD-CD1 4.36Å | ||
| 99 | E | 87.5 | Confident | 84.4 | Confident | 116 Ų | 116 | 81.2 Ų | 81.2 | 54% | 0.542 | 41% | 0.413 | S | S | . | . | trans | -78.8 | 120.6 | 176.2 | -174.8 | -165.4 | 156 | 0 | 0 | 110 | K81 | K81-E99 IonicContact NZ-OE1 2.64Å; K81-E99 PolarHBondContact NZ-OE1 2.94Å; K81-E99 IonicContact NZ-OE2 2.61Å; K81-E99 PolarHBondContact NZ-OE2 3.01Å | ||
| 100 | I | 90.6 | Very high | 82.4 | Confident | 32 Ų | 32 | 85.1 Ų | 85.1 | 16% | 0.164 | 44% | 0.437 | C | S | . | . | trans | -96.8 | 116.8 | 177.1 | -50.8 | -59.9 | 0 | 0 | 0 | 108 | P48 Y72 L80 L87 M98 | P48-I100 HydrophobicContact CB-CG2 4.04Å; P48-I100 HydrophobicContact CG-CG2 4.02Å; Y72-I100 HydrophobicContact CD1-CG2 3.8Å; Y72-I100 HydrophobicContact CD2-CD1 3.73Å; Y72-I100 HydrophobicContact CD2-CG1 3.98Å; Y72-I100 HydrophobicContact CD2-CG2 3.73Å; Y72-I100 HydrophobicContact CE1-CG2 3.92Å; Y72-I100 HydrophobicContact CE2-CB 4.22Å; Y72-I100 HydrophobicContact CE2-CD1 3.65Å; Y72-I100 HydrophobicContact CE2-CG1 3.49Å; Y72-I100 VanDerWaalsContact CE2-CG1 3.49Å; Y72-I100 HydrophobicContact CE2-CG2 3.79Å; Y72-I100 HydrophobicContact CG-CG2 3.73Å; L80-I100 HydrophobicContact CD1-CG2 3.8Å; L87-I100 HydrophobicContact CD1-CD1 4.14Å; M98-I100 HydrophobicContact CE-CD1 3.81Å; M98-I100 HydrophobicContact CG-CD1 3.84Å; M98-I100 HydrophobicContact SD-CD1 4.36Å | ||
| 101 | S | 92 | Very high | 80.2 | Confident | 18 Ų | 18 | 85.2 Ų | 85.2 | 13% | 0.126 | 44% | 0.439 | C | S | . | . | trans | -149.1 | 140 | 168.7 | 61.1 | 0 | 0 | 0 | 0 | 110.7 | K81 R103 | K81-S101 WeakPolarHBondContact CB-O 3.26Å; K81-S101 WeakPolarHBondContact CB-OG 3.41Å; K81-S101 WeakPolarHBondContact CD-OG 3.36Å; K81-S101 PolarHBondContact N-O 3.06Å; S101-R103 PolarHBondContact OG-NE 3.26Å | ||
| 102 | C | 94 | Very high | 78.2 | Confident | 13 Ų | 13 | 84 Ų | 84 | 9% | 0.088 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 133.4 | 170.6 | -65.3 | 0 | 0 | 0 | 0 | 109.1 | E49 N50 C74 Y78 M79 | E49-C102 WeakPolarHBondContact O-CB 3.23Å; N50-C102 HydrophobicContact CB-CB 4.47Å; C74-C102 WeakPolarHBondContact CA-SG 3.15Å; C74-C102 HydrophobicContact CB-CB 3.76Å; C74-C102 WeakPolarHBondContact CB-SG 3.18Å; C74-C102 WeakPolarHBondContact SG-CB 3.47Å; C74-C102 CovalentContact SG-SG 2.04Å; C74-C102 PolarHBondContact SG-SG 3.48Å; Y78-C102 HydrophobicContact CD1-CB 4.35Å; M79-C102 CarbonylContact O-C 3.52Å; M79-C102 WeakPolarHBondContact O-CA 3.29Å |
| 103 | R | 91.9 | Very high | 76.4 | Confident | 140 Ų | 140 | 86 Ų | 86 | 53% | 0.528 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 148.1 | -180 | -61 | -68.2 | 171.7 | 165.2 | -5.6 | 108.9 | Y78 M79 K81 S101 N105 | Y78-R103 CarbonylContact C-O 3.59Å; Y78-R103 WeakPolarHBondContact CA-O 3.49Å; M79-R103 PolarHBondContact N-O 3.45Å; M79-R103 PolarHBondContact O-N 3.5Å; K81-R103 HydrophobicContact CB-CG 4.44Å; S101-R103 PolarHBondContact OG-NE 3.26Å; R103-N105 PolarHBondContact O-N 3.27Å |
| 104 | L | 91.3 | Very high | 74.5 | Confident | 107 Ų | 107 | 87.4 Ų | 87.4 | 56% | 0.56 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 138.3 | 174.3 | -171.8 | 72 | 0 | 0 | 0 | 109.5 | Y78 E106 | Y78-L104 HydrophobicContact CE2-CD1 4.42Å; L104-E106 PolarHBondContact O-N 2.91Å |
| 105 | N | 83.1 | Confident | 72.6 | Confident | 34 Ų | 34 | 87.8 Ų | 87.8 | 18% | 0.182 | 47% | 0.471 | C | S | . | . | trans | -79.7 | 97.7 | 176.8 | -172.3 | -11.3 | 0 | 0 | 0 | 110.2 | G77 M79 R103 D107 | G77-N105 VanDerWaalsContact O-CB 3.26Å; G77-N105 WeakPolarHBondContact O-CB 3.49Å; G77-N105 PolarHBondContact O-N 3.47Å; M79-N105 HydrophobicContact CE-CB 4.15Å; M79-N105 VanDerWaalsContact CE-CG 3.5Å; M79-N105 WeakPolarHBondContact CE-OD1 3.17Å; M79-N105 HydrophobicContact CG-CB 4Å; M79-N105 HydrophobicContact SD-CB 4.37Å; M79-N105 PolarHBondContact SD-ND2 3.24Å; R103-N105 PolarHBondContact O-N 3.27Å; N105-D107 PolarHBondContact O-N 2.9Å; N105-D107 VanDerWaalsContact OD1-CB 3.23Å; N105-D107 WeakPolarHBondContact OD1-CB 3.26Å; N105-D107 PolarHBondContact OD1-N 3.01Å; N105-D107 PolarHBondContact OD1-OD2 3.23Å | ||
| 106 | E | 72.8 | Confident | 71.2 | Confident | 155 Ų | 155 | 86.6 Ų | 86.6 | 72% | 0.724 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -71.4 | -10.1 | 178 | -61 | -174.1 | 124.6 | 0 | 0 | 113 | L104 K108 | L104-E106 PolarHBondContact O-N 2.91Å; E106-K108 PolarHBondContact O-N 3.41Å |
| 107 | D | 59.8 | Low | 69.7 | Low | 98 Ų | 98 | 88.3 Ų | 88.3 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -75.6 | 13.2 | -179.3 | -56.8 | -45.1 | 0 | 0 | 0 | 114.3 | N105 H111 | N105-D107 PolarHBondContact O-N 2.9Å; N105-D107 VanDerWaalsContact OD1-CB 3.23Å; N105-D107 WeakPolarHBondContact OD1-CB 3.26Å; N105-D107 PolarHBondContact OD1-N 3.01Å; N105-D107 PolarHBondContact OD1-OD2 3.23Å; D107-H111 PolarHBondContact O-CD2 3.04Å |
| 108 | K | 53.1 | Low | 68.5 | Low | 153 Ų | 153 | 88.8 Ų | 88.8 | 67% | 0.665 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -109.9 | -22.6 | 174.4 | -72.4 | -162.7 | 172 | -174.7 | 0 | 115.1 | E106 | E106-K108 PolarHBondContact O-N 3.41Š|
| 109 | D | 48 | Very low | 67.3 | Low | 134 Ų | 134 | 91.2 Ų | 91.2 | 72% | 0.717 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -21.4 | 175.1 | -67.9 | -49.6 | 0 | 0 | 0 | 112.5 | ||
| 110 | T | 51.2 | Low | 66.5 | Low | 83 Ų | 83 | 88.4 Ų | 88.4 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -26.5 | 171.8 | 51.8 | 0 | 0 | 0 | 0 | 113.3 | S113 | T110-S113 WeakPolarHBondContact O-CA 3.15Å; T110-S113 WeakPolarHBondContact O-CB 3.35Å; T110-S113 PolarHBondContact O-N 3.13Å |
| 111 | H | 47.7 | Very low | 65.8 | Low | 114 Ų | 114 | 92 Ų | 92 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -83.8 | -12.3 | -178.7 | -79.8 | -95.3 | 0 | 0 | 0 | 114.6 | D107 S113 L114 | D107-H111 PolarHBondContact O-CD2 3.04Å; H111-S113 PolarHBondContact O-N 3.06Å; H111-L114 VanDerWaalsContact ND1-CD1 3.28Å; H111-L114 WeakPolarHBondContact ND1-CD1 3.22Å; H111-L114 PolarHBondContact O-N 3.44Å |
| 112 | T | 47.3 | Very low | 65.2 | Low | 120 Ų | 120 | 95.3 Ų | 95.3 | 74% | 0.736 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -68.8 | -6.1 | 159.4 | -48.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 113 | S | 50 | Low | 64.6 | Low | 62 Ų | 62 | 97.6 Ų | 97.6 | 43% | 0.434 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -89.7 | 1.8 | 172.3 | -148 | 0 | 0 | 0 | 0 | 114.5 | T110 H111 G115 V116 | T110-S113 WeakPolarHBondContact O-CA 3.15Å; T110-S113 WeakPolarHBondContact O-CB 3.35Å; T110-S113 PolarHBondContact O-N 3.13Å; H111-S113 PolarHBondContact O-N 3.06Å; S113-G115 PolarHBondContact O-N 3.35Å; S113-V116 WeakPolarHBondContact O-CB 3.32Å; S113-V116 PolarHBondContact O-N 2.95Å; S113-V116 VanDerWaalsContact O-N 3.1Å; S113-V116 WeakPolarHBondContact OG-CB 3.49Å |
| 114 | L | 53.3 | Low | 64.4 | Low | 140 Ų | 140 | 94.8 Ų | 94.8 | 73% | 0.733 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 21.7 | 178.5 | -67.7 | -172.9 | 0 | 0 | 0 | 115.3 | H111 | H111-L114 VanDerWaalsContact ND1-CD1 3.28Å; H111-L114 WeakPolarHBondContact ND1-CD1 3.22Å; H111-L114 PolarHBondContact O-N 3.44Å |
| 115 | G | 51.6 | Low | 64.3 | Low | 37 Ų | 37 | 93.4 Ų | 93.4 | 38% | 0.381 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | 8.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S113 | S113-G115 PolarHBondContact O-N 3.35Š|
| 116 | V | 63.4 | Low | 64.7 | Low | 53 Ų | 53 | 94.5 Ų | 94.5 | 32% | 0.321 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -91.5 | -18.5 | -161 | 177 | 0 | 0 | 0 | 0 | 117.2 | S113 T118 S120 | S113-V116 WeakPolarHBondContact O-CB 3.32Å; S113-V116 PolarHBondContact O-N 2.95Å; S113-V116 VanDerWaalsContact O-N 3.1Å; S113-V116 WeakPolarHBondContact OG-CB 3.49Å; V116-T118 PolarHBondContact O-N 3.33Å; V116-S120 WeakPolarHBondContact O-CB 3.25Å; V116-S120 PolarHBondContact O-N 2.8Å; V116-S120 PolarHBondContact O-OG 3.44Å |
| 117 | P | 60.2 | Low | 65.7 | Low | 90 Ų | 90 | 90.2 Ų | 90.2 | 58% | 0.584 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.1 | -45.4 | 179.3 | 23.6 | -31.1 | 0 | 0 | 0 | 111.8 | S120 I121 | P117-S120 PolarHBondContact O-OG 3.46Å; P117-I121 WeakPolarHBondContact O-CB 3.02Å; P117-I121 VanDerWaalsContact O-CD1 3.22Å; P117-I121 WeakPolarHBondContact O-CD1 3.26Å; P117-I121 WeakPolarHBondContact O-CG1 3.03Å; P117-I121 PolarHBondContact O-N 3.31Å |
| 118 | T | 62.6 | Low | 67.4 | Low | 98 Ų | 98 | 88.6 Ų | 88.6 | 60% | 0.601 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.7 | -44 | 177.8 | 46.7 | 0 | 0 | 0 | 0 | 112.6 | V116 I121 V122 | V116-T118 PolarHBondContact O-N 3.33Å; T118-I121 PolarHBondContact O-N 3.23Å; T118-V122 WeakPolarHBondContact O-CB 3.47Å; T118-V122 VanDerWaalsContact O-CG2 3.3Å; T118-V122 WeakPolarHBondContact O-CG2 3.46Å; T118-V122 PolarHBondContact O-N 2.99Å |
| 119 | L | 62.3 | Low | 69.5 | Low | 118 Ų | 118 | 85.2 Ų | 85.2 | 62% | 0.618 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.5 | -36.4 | -179.5 | -68.7 | 178.1 | 0 | 0 | 0 | 113.1 | A123 | L119-A123 VanDerWaalsContact O-CB 3.22Å; L119-A123 WeakPolarHBondContact O-CB 3.04Å; L119-A123 PolarHBondContact O-N 3.33Å |
| 120 | S | 70.8 | Confident | 71.8 | Confident | 57 Ų | 57 | 81.5 Ų | 81.5 | 40% | 0.399 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.2 | -38.7 | 174.7 | 63.1 | 0 | 0 | 0 | 0 | 112.4 | V116 P117 S124 | V116-S120 WeakPolarHBondContact O-CB 3.25Å; V116-S120 PolarHBondContact O-N 2.8Å; V116-S120 PolarHBondContact O-OG 3.44Å; P117-S120 PolarHBondContact O-OG 3.46Å; S120-S124 WeakPolarHBondContact O-CB 3.04Å; S120-S124 PolarHBondContact O-N 2.83Å |
| 121 | I | 75.3 | Confident | 73.9 | Confident | 107 Ų | 107 | 82.3 Ų | 82.3 | 55% | 0.549 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 174 | -68.7 | 167.4 | 0 | 0 | 0 | 110.8 | P117 T118 S124 T125 | P117-I121 WeakPolarHBondContact O-CB 3.02Å; P117-I121 VanDerWaalsContact O-CD1 3.22Å; P117-I121 WeakPolarHBondContact O-CD1 3.26Å; P117-I121 WeakPolarHBondContact O-CG1 3.03Å; P117-I121 PolarHBondContact O-N 3.31Å; T118-I121 PolarHBondContact O-N 3.23Å; I121-S124 PolarHBondContact O-N 2.8Å; I121-T125 WeakPolarHBondContact O-CB 3.25Å; I121-T125 WeakPolarHBondContact O-CG2 3.5Å; I121-T125 PolarHBondContact O-N 3.29Å; I121-T125 PolarHBondContact O-OG1 2.82Å |
| 122 | V | 79.4 | Confident | 76.2 | Confident | 88 Ų | 88 | 81.5 Ų | 81.5 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 177.4 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | T118 T125 A126 | T118-V122 WeakPolarHBondContact O-CB 3.47Å; T118-V122 VanDerWaalsContact O-CG2 3.3Å; T118-V122 WeakPolarHBondContact O-CG2 3.46Å; T118-V122 PolarHBondContact O-N 2.99Å; V122-T125 WeakPolarHBondContact CA-OG1 3.48Å; V122-T125 PolarHBondContact O-OG1 2.79Å; V122-T125 VanDerWaalsContact O-OG1 3.12Å; V122-A126 WeakPolarHBondContact O-CB 3.4Å; V122-A126 PolarHBondContact O-N 2.66Å |
| 123 | A | 82.5 | Confident | 78.5 | Confident | 61 Ų | 61 | 80.9 Ų | 80.9 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L119 S127 | L119-A123 VanDerWaalsContact O-CB 3.22Å; L119-A123 WeakPolarHBondContact O-CB 3.04Å; L119-A123 PolarHBondContact O-N 3.33Å; A123-S127 WeakPolarHBondContact O-CB 3.41Å; A123-S127 PolarHBondContact O-N 3.48Å |
| 124 | S | 85.9 | Confident | 80.6 | Confident | 81 Ų | 81 | 83.1 Ų | 83.1 | 57% | 0.566 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.8 | -45.7 | 177.6 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | S120 I121 S127 S128 | S120-S124 WeakPolarHBondContact O-CB 3.04Å; S120-S124 PolarHBondContact O-N 2.83Å; I121-S124 PolarHBondContact O-N 2.8Å; S124-S127 PolarHBondContact O-N 3.45Å; S124-S128 WeakPolarHBondContact O-CB 2.99Å; S124-S128 PolarHBondContact O-N 3.42Å |
| 125 | T | 90.8 | Very high | 82.6 | Confident | 78 Ų | 78 | 80.6 Ų | 80.6 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.9 | -42.7 | 177.4 | 49.3 | 0 | 0 | 0 | 0 | 112.3 | I121 V122 S127 S128 V129 | I121-T125 WeakPolarHBondContact O-CB 3.25Å; I121-T125 WeakPolarHBondContact O-CG2 3.5Å; I121-T125 PolarHBondContact O-N 3.29Å; I121-T125 PolarHBondContact O-OG1 2.82Å; V122-T125 WeakPolarHBondContact CA-OG1 3.48Å; V122-T125 PolarHBondContact O-OG1 2.79Å; V122-T125 VanDerWaalsContact O-OG1 3.12Å; T125-S127 PolarHBondContact O-N 3.36Å; T125-S128 PolarHBondContact O-N 2.03Å; T125-V129 WeakPolarHBondContact O-CG2 3.27Å; T125-V129 PolarHBondContact O-N 3.41Å |
| 126 | A | 91.2 | Very high | 84.7 | Confident | 58 Ų | 58 | 82.8 Ų | 82.8 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V122 A130 | V122-A126 WeakPolarHBondContact O-CB 3.4Å; V122-A126 PolarHBondContact O-N 2.66Å; A126-A130 VanDerWaalsContact O-CB 3.31Å; A126-A130 WeakPolarHBondContact O-CB 3.4Å; A126-A130 PolarHBondContact O-N 2.74Å |
| 127 | S | 93.9 | Very high | 86.1 | Confident | 65 Ų | 65 | 84.3 Ų | 84.3 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 175.1 | -177 | 0 | 0 | 0 | 0 | 111.8 | A123 S124 T125 V129 A130 L131 | A123-S127 WeakPolarHBondContact O-CB 3.41Å; A123-S127 PolarHBondContact O-N 3.48Å; S124-S127 PolarHBondContact O-N 3.45Å; T125-S127 PolarHBondContact O-N 3.36Å; S127-V129 PolarHBondContact O-N 3.43Å; S127-A130 PolarHBondContact O-N 2.04Å; S127-L131 WeakPolarHBondContact O-CB 3.44Å; S127-L131 WeakPolarHBondContact O-CG 3.34Å; S127-L131 PolarHBondContact O-N 2.89Å |
| 128 | S | 95.2 | Very high | 87.6 | Confident | 63 Ų | 63 | 84 Ų | 84 | 44% | 0.441 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58 | -48.6 | 176.9 | -177 | 0 | 0 | 0 | 0 | 112.2 | S124 T125 A130 L131 I132 | S124-S128 WeakPolarHBondContact O-CB 2.99Å; S124-S128 PolarHBondContact O-N 3.42Å; T125-S128 PolarHBondContact O-N 2.03Å; S128-A130 PolarHBondContact O-N 2.83Å; S128-L131 PolarHBondContact O-N 2.9Å; S128-I132 WeakPolarHBondContact O-CD1 3.29Å; S128-I132 VanDerWaalsContact O-CG1 3.28Å; S128-I132 WeakPolarHBondContact O-CG1 3.43Å; S128-I132 PolarHBondContact O-N 2.87Å |
| 129 | V | 96.7 | Very high | 88.9 | Confident | 83 Ų | 83 | 84.8 Ų | 84.8 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 177.1 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | T125 S127 L131 I132 L133 | T125-V129 WeakPolarHBondContact O-CG2 3.27Å; T125-V129 PolarHBondContact O-N 3.41Å; S127-V129 PolarHBondContact O-N 3.43Å; V129-L131 PolarHBondContact O-N 2.89Å; V129-I132 PolarHBondContact O-N 3.13Å; V129-L133 HydrophobicContact CG1-CD1 3.91Å; V129-L133 HydrophobicContact CG1-CG 4.3Å; V129-L133 WeakPolarHBondContact O-CB 3.32Å; V129-L133 VanDerWaalsContact O-CG 3.31Å; V129-L133 WeakPolarHBondContact O-CG 3.4Å; V129-L133 PolarHBondContact O-N 3.28Å |
| 130 | A | 95.6 | Very high | 90.2 | Very high | 55 Ų | 55 | 83.6 Ų | 83.6 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A126 S127 S128 L133 L134 | A126-A130 VanDerWaalsContact O-CB 3.31Å; A126-A130 WeakPolarHBondContact O-CB 3.4Å; A126-A130 PolarHBondContact O-N 2.74Å; S127-A130 PolarHBondContact O-N 2.04Å; S128-A130 PolarHBondContact O-N 2.83Å; A130-L133 PolarHBondContact O-N 2.87Å; A130-L134 VanDerWaalsContact O-CB 3.29Å; A130-L134 WeakPolarHBondContact O-CB 3.19Å; A130-L134 PolarHBondContact O-N 3.49Å |
| 131 | L | 95.7 | Very high | 90.8 | Very high | 101 Ų | 101 | 86.6 Ų | 86.6 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 175.6 | -71.8 | 173 | 0 | 0 | 0 | 112 | S127 S128 V129 L134 L135 | S127-L131 WeakPolarHBondContact O-CB 3.44Å; S127-L131 WeakPolarHBondContact O-CG 3.34Å; S127-L131 PolarHBondContact O-N 2.89Å; S128-L131 PolarHBondContact O-N 2.9Å; V129-L131 PolarHBondContact O-N 2.89Å; L131-L134 PolarHBondContact O-N 2.89Å; L131-L135 WeakPolarHBondContact O-CB 3.42Å; L131-L135 VanDerWaalsContact O-CG 3.29Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 3.36Å |
| 132 | I | 96.3 | Very high | 91.1 | Very high | 97 Ų | 97 | 84.6 Ų | 84.6 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 176.1 | -68.2 | 163.4 | 0 | 0 | 0 | 110.5 | S128 V129 L135 V136 | S128-I132 WeakPolarHBondContact O-CD1 3.29Å; S128-I132 VanDerWaalsContact O-CG1 3.28Å; S128-I132 WeakPolarHBondContact O-CG1 3.43Å; S128-I132 PolarHBondContact O-N 2.87Å; V129-I132 PolarHBondContact O-N 3.13Å; I132-L135 PolarHBondContact O-N 3.49Å; I132-V136 WeakPolarHBondContact O-CG2 3.21Å; I132-V136 PolarHBondContact O-N 3.34Å |
| 133 | L | 95.5 | Very high | 90.6 | Very high | 106 Ų | 106 | 84.7 Ų | 84.7 | 56% | 0.555 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.6 | -42.5 | 177.8 | -69.3 | 174.6 | 0 | 0 | 0 | 111.9 | V129 A130 V136 V137 | V129-L133 HydrophobicContact CG1-CD1 3.91Å; V129-L133 HydrophobicContact CG1-CG 4.3Å; V129-L133 WeakPolarHBondContact O-CB 3.32Å; V129-L133 VanDerWaalsContact O-CG 3.31Å; V129-L133 WeakPolarHBondContact O-CG 3.4Å; V129-L133 PolarHBondContact O-N 3.28Å; A130-L133 PolarHBondContact O-N 2.87Å; L133-V136 PolarHBondContact O-N 2.86Å; L133-V137 WeakPolarHBondContact O-CG2 3.33Å; L133-V137 PolarHBondContact O-N 3.48Å |
| 134 | L | 95.3 | Very high | 89.6 | Confident | 110 Ų | 110 | 86.1 Ų | 86.1 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.3 | -43.7 | 176.2 | -172.5 | 154.8 | 0 | 0 | 0 | 111.2 | A130 L131 V137 L138 | A130-L134 VanDerWaalsContact O-CB 3.29Å; A130-L134 WeakPolarHBondContact O-CB 3.19Å; A130-L134 PolarHBondContact O-N 3.49Å; L131-L134 PolarHBondContact O-N 2.89Å; L134-V137 PolarHBondContact O-N 3.38Å; L134-L138 WeakPolarHBondContact O-CB 3.21Å; L134-L138 PolarHBondContact O-N 2.98Å |
| 135 | L | 94.1 | Very high | 88.3 | Confident | 87 Ų | 87 | 89.2 Ų | 89.2 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 174.4 | -73.5 | 173.3 | 0 | 0 | 0 | 111.5 | L131 I132 L138 F139 | L131-L135 WeakPolarHBondContact O-CB 3.42Å; L131-L135 VanDerWaalsContact O-CG 3.29Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 3.36Å; I132-L135 PolarHBondContact O-N 3.49Å; L135-L138 PolarHBondContact O-N 2.99Å; L135-F139 HydrophobicContact CB-CD2 4.4Å; L135-F139 HydrophobicContact CB-CE2 4.45Å; L135-F139 WeakPolarHBondContact O-CB 3.33Å; L135-F139 WeakPolarHBondContact O-CD2 3.37Å; L135-F139 PolarHBondContact O-N 2.85Å |
| 136 | V | 95.1 | Very high | 86.8 | Confident | 82 Ų | 82 | 89.3 Ų | 89.3 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 177.5 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | I132 L133 F139 V140 | I132-V136 WeakPolarHBondContact O-CG2 3.21Å; I132-V136 PolarHBondContact O-N 3.34Å; L133-V136 PolarHBondContact O-N 2.86Å; V136-F139 PolarHBondContact O-N 3.05Å; V136-V140 HydrophobicContact CG1-CG2 4.44Å; V136-V140 WeakPolarHBondContact O-CB 3.02Å; V136-V140 VanDerWaalsContact O-CG2 3.29Å; V136-V140 WeakPolarHBondContact O-CG2 3.45Å; V136-V140 PolarHBondContact O-N 2.82Å |
| 137 | V | 94.1 | Very high | 85.3 | Confident | 86 Ų | 86 | 93.8 Ų | 93.8 | 52% | 0.521 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | L133 L134 F139 V140 L141 | L133-V137 WeakPolarHBondContact O-CG2 3.33Å; L133-V137 PolarHBondContact O-N 3.48Å; L134-V137 PolarHBondContact O-N 3.38Å; V137-F139 PolarHBondContact O-N 2.68Å; V137-V140 PolarHBondContact O-N 3.34Å; V137-L141 HydrophobicContact CG1-CD1 3.83Å; V137-L141 HydrophobicContact CG1-CG 4.35Å; V137-L141 WeakPolarHBondContact O-CB 3.5Å; V137-L141 VanDerWaalsContact O-CG 3.29Å; V137-L141 WeakPolarHBondContact O-CG 2.97Å; V137-L141 PolarHBondContact O-N 2.95Å |
| 138 | L | 92.3 | Very high | 83.6 | Confident | 82 Ų | 82 | 94.5 Ų | 94.5 | 43% | 0.429 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 176.7 | -179.7 | 62 | 0 | 0 | 0 | 111.4 | L134 L135 L141 L142 | L134-L138 WeakPolarHBondContact O-CB 3.21Å; L134-L138 PolarHBondContact O-N 2.98Å; L135-L138 PolarHBondContact O-N 2.99Å; L138-L141 PolarHBondContact O-N 2.95Å; L138-L142 HydrophobicContact CD1-CD1 3.83Å; L138-L142 HydrophobicContact CD1-CG 4.05Å; L138-L142 HydrophobicContact CG-CD1 3.8Å; L138-L142 HydrophobicContact CG-CG 4.37Å; L138-L142 VanDerWaalsContact O-CB 3.24Å; L138-L142 WeakPolarHBondContact O-CB 3.41Å; L138-L142 WeakPolarHBondContact O-CG 3.48Å; L138-L142 PolarHBondContact O-N 3.3Å |
| 139 | F | 88.6 | Confident | 81.7 | Confident | 116 Ų | 116 | 98.1 Ų | 98.1 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 175.2 | -83.2 | -62.6 | 0 | 0 | 0 | 111.8 | L135 V136 V137 L141 L142 Q143 | L135-F139 HydrophobicContact CB-CD2 4.4Å; L135-F139 HydrophobicContact CB-CE2 4.45Å; L135-F139 WeakPolarHBondContact O-CB 3.33Å; L135-F139 WeakPolarHBondContact O-CD2 3.37Å; L135-F139 PolarHBondContact O-N 2.85Å; V136-F139 PolarHBondContact O-N 3.05Å; V137-F139 PolarHBondContact O-N 2.68Å; F139-L141 VanDerWaalsContact C-N 3.35Å; F139-L141 PolarHBondContact O-N 2.87Å; F139-L142 CarbonylContact O-C 3.56Å; F139-L142 PolarHBondContact O-N 2.64Å; F139-Q143 WeakPolarHBondContact O-CG 3.29Å; F139-Q143 PolarHBondContact O-N 3Å; F139-Q143 PolarHBondContact O-NE2 3.44Å |
| 140 | V | 89.7 | Confident | 79.7 | Confident | 93 Ų | 93 | 100.4 Ų | 100.4 | 56% | 0.564 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.7 | -35.3 | 178 | 169.6 | 0 | 0 | 0 | 0 | 112 | V136 V137 P144 | V136-V140 HydrophobicContact CG1-CG2 4.44Å; V136-V140 WeakPolarHBondContact O-CB 3.02Å; V136-V140 VanDerWaalsContact O-CG2 3.29Å; V136-V140 WeakPolarHBondContact O-CG2 3.45Å; V136-V140 PolarHBondContact O-N 2.82Å; V137-V140 PolarHBondContact O-N 3.34Å; V140-P144 WeakPolarHBondContact O-CD 3.39Å |
| 141 | L | 84.1 | Confident | 77.5 | Confident | 119 Ų | 119 | 104.2 Ų | 104.2 | 62% | 0.623 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -76.7 | -29.2 | 174.3 | -66.1 | 174.4 | 0 | 0 | 0 | 112.9 | V137 L138 F139 | V137-L141 HydrophobicContact CG1-CD1 3.83Å; V137-L141 HydrophobicContact CG1-CG 4.35Å; V137-L141 WeakPolarHBondContact O-CB 3.5Å; V137-L141 VanDerWaalsContact O-CG 3.29Å; V137-L141 WeakPolarHBondContact O-CG 2.97Å; V137-L141 PolarHBondContact O-N 2.95Å; L138-L141 PolarHBondContact O-N 2.95Å; F139-L141 VanDerWaalsContact C-N 3.35Å; F139-L141 PolarHBondContact O-N 2.87Å |
| 142 | L | 80.8 | Confident | 75.4 | Confident | 65 Ų | 65 | 103.2 Ų | 103.2 | 34% | 0.34 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -82.3 | -24.4 | 173.6 | -71.5 | 175.5 | 0 | 0 | 0 | 113.1 | L138 F139 K145 L146 | L138-L142 HydrophobicContact CD1-CD1 3.83Å; L138-L142 HydrophobicContact CD1-CG 4.05Å; L138-L142 HydrophobicContact CG-CD1 3.8Å; L138-L142 HydrophobicContact CG-CG 4.37Å; L138-L142 VanDerWaalsContact O-CB 3.24Å; L138-L142 WeakPolarHBondContact O-CB 3.41Å; L138-L142 WeakPolarHBondContact O-CG 3.48Å; L138-L142 PolarHBondContact O-N 3.3Å; F139-L142 CarbonylContact O-C 3.56Å; F139-L142 PolarHBondContact O-N 2.64Å; L142-K145 CarbonylContact O-C 3.45Å; L142-K145 WeakPolarHBondContact O-CA 3.23Å; L142-K145 PolarHBondContact O-N 2.79Å; L142-L146 HydrophobicContact CB-CD1 4.06Å; L142-L146 HydrophobicContact CB-CG 4.39Å; L142-L146 WeakPolarHBondContact O-CB 3.32Å; L142-L146 PolarHBondContact O-N 2.84Å |
| 143 | Q | 68.9 | Low | 73.1 | Confident | 91 Ų | 91 | 109.1 Ų | 109.1 | 43% | 0.425 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -54.6 | -48 | 176.8 | -76.8 | -38.9 | -61.1 | 0 | 0 | 111.7 | F139 K145 L146 K147 | F139-Q143 WeakPolarHBondContact O-CG 3.29Å; F139-Q143 PolarHBondContact O-N 3Å; F139-Q143 PolarHBondContact O-NE2 3.44Å; Q143-K145 PolarHBondContact O-N 3.49Å; Q143-L146 PolarHBondContact O-N 3.44Å; Q143-K147 WeakPolarHBondContact O-CB 3.15Å; Q143-K147 PolarHBondContact O-N 2.73Å |
| 144 | P | 61.9 | Low | 70.9 | Confident | 90 Ų | 90 | 114 Ų | 114 | 58% | 0.584 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -52.6 | -39.2 | 172.2 | -28.5 | 33.1 | 0 | 0 | 0 | 114.1 | V140 S148 | V140-P144 WeakPolarHBondContact O-CD 3.39Å; P144-S148 WeakPolarHBondContact O-CB 3.06Å; P144-S148 PolarHBondContact O-N 2.87Å |
| 145 | K | 59.2 | Low | 68.4 | Low | 146 Ų | 146 | 114.4 Ų | 114.4 | 64% | 0.635 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -78.7 | -49 | -177.2 | -64.1 | -74.3 | -177.1 | 167 | 0 | 111.8 | L142 Q143 S148 F149 | L142-K145 CarbonylContact O-C 3.45Å; L142-K145 WeakPolarHBondContact O-CA 3.23Å; L142-K145 PolarHBondContact O-N 2.79Å; Q143-K145 PolarHBondContact O-N 3.49Å; K145-S148 WeakPolarHBondContact O-CB 3.35Å; K145-S148 PolarHBondContact O-N 2.02Å; K145-F149 WeakPolarHBondContact O-CD2 3.43Å; K145-F149 PolarHBondContact O-N 2.99Å |
| 146 | L | 59.2 | Low | 66.2 | Low | 81 Ų | 81 | 118.7 Ų | 118.7 | 42% | 0.424 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -75.3 | -31.2 | -177.1 | -63.7 | 176.4 | 0 | 0 | 0 | 112.7 | L142 Q143 F149 H150 | L142-L146 HydrophobicContact CB-CD1 4.06Å; L142-L146 HydrophobicContact CB-CG 4.39Å; L142-L146 WeakPolarHBondContact O-CB 3.32Å; L142-L146 PolarHBondContact O-N 2.84Å; Q143-L146 PolarHBondContact O-N 3.44Å; L146-F149 PolarHBondContact O-N 3.35Å; L146-H150 PolarHBondContact O-N 3.36Å |
| 147 | K | 60.3 | Low | 64 | Low | 152 Ų | 152 | 117.7 Ų | 117.7 | 66% | 0.661 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73.5 | -29.6 | 174.1 | -157.2 | 160.7 | -173.5 | 170.4 | 0 | 111.9 | Q143 H150 H151 | Q143-K147 WeakPolarHBondContact O-CB 3.15Å; Q143-K147 PolarHBondContact O-N 2.73Å; K147-H150 PolarHBondContact O-N 3.18Å; K147-H151 PolarHBondContact O-N 3.13Å; K147-H151 VanDerWaalsContact O-N 3.16Å |
| 148 | S | 56.6 | Low | 61.7 | Low | 79 Ų | 79 | 119.6 Ų | 119.6 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.1 | -44.6 | 166.1 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | P144 K145 H150 H151 S152 | P144-S148 WeakPolarHBondContact O-CB 3.06Å; P144-S148 PolarHBondContact O-N 2.87Å; K145-S148 WeakPolarHBondContact O-CB 3.35Å; K145-S148 PolarHBondContact O-N 2.02Å; S148-H150 VanDerWaalsContact C-N 3.35Å; S148-H150 PolarHBondContact O-N 3.14Å; S148-H151 PolarHBondContact O-N 2.97Å; S148-S152 PolarHBondContact O-N 2.61Å; S148-S152 VanDerWaalsContact O-N 3.08Å |
| 149 | F | 56.3 | Low | 59.7 | Low | 139 Ų | 139 | 121.4 Ų | 121.4 | 61% | 0.61 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.5 | -34.7 | 172.9 | -75.2 | -67.6 | 0 | 0 | 0 | 113.4 | K145 L146 S152 R153 | K145-F149 WeakPolarHBondContact O-CD2 3.43Å; K145-F149 PolarHBondContact O-N 2.99Å; L146-F149 PolarHBondContact O-N 3.35Å; F149-S152 PolarHBondContact O-N 2.86Å; F149-R153 WeakPolarHBondContact O-CB 3.34Å; F149-R153 PolarHBondContact O-N 2.83Å |
| 150 | H | 54.7 | Low | 58.1 | Low | 132 Ų | 132 | 119.4 Ų | 119.4 | 61% | 0.611 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.1 | -29.8 | 177.3 | -100.8 | -77.3 | 0 | 0 | 0 | 114.2 | L146 K147 S148 | L146-H150 PolarHBondContact O-N 3.36Å; K147-H150 PolarHBondContact O-N 3.18Å; S148-H150 VanDerWaalsContact C-N 3.35Å; S148-H150 PolarHBondContact O-N 3.14Å |
| 151 | H | 49.6 | Very low | 56 | Low | 134 Ų | 134 | 122.1 Ų | 122.1 | 62% | 0.62 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.8 | -48.4 | 169.1 | -152 | -16.1 | 0 | 0 | 0 | 110 | K147 S148 R153 R154 D155 | K147-H151 PolarHBondContact O-N 3.13Å; K147-H151 VanDerWaalsContact O-N 3.16Å; S148-H151 PolarHBondContact O-N 2.97Å; H151-R153 PolarHBondContact O-N 2.84Å; H151-R154 PolarHBondContact O-N 3.21Å; H151-D155 IonicContact CE1-OD2 3.27Å; H151-D155 PolarHBondContact CE1-OD2 3.3Å; H151-D155 VanDerWaalsContact CE1-OD2 3.27Å; H151-D155 IonicContact ND1-OD2 2.82Å; H151-D155 PolarHBondContact ND1-OD2 3Å; H151-D155 PolarHBondContact O-N 3.34Å |
| 152 | S | 50.1 | Low | 53.9 | Low | 81 Ų | 81 | 122.6 Ų | 122.6 | 57% | 0.566 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -57.7 | -24.8 | 177.7 | -176.6 | 0 | 0 | 0 | 0 | 114.4 | S148 F149 | S148-S152 PolarHBondContact O-N 2.61Å; S148-S152 VanDerWaalsContact O-N 3.08Å; F149-S152 PolarHBondContact O-N 2.86Å |
| 153 | R | 49.2 | Very low | 52.7 | Low | 221 Ų | 221 | 125.6 Ų | 125.6 | 83% | 0.834 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 0.5 | 179 | -146 | -173.2 | -161.5 | -101.9 | 5.8 | 114.3 | F149 H151 | F149-R153 WeakPolarHBondContact O-CB 3.34Å; F149-R153 PolarHBondContact O-N 2.83Å; H151-R153 PolarHBondContact O-N 2.84Å |
| 154 | R | 48.3 | Very low | 51.8 | Low | 208 Ų | 208 | 123.6 Ų | 123.6 | 79% | 0.785 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -20.7 | 177.7 | -137.6 | 177.9 | -172.6 | 103.3 | 0.7 | 113.8 | H151 | H151-R154 PolarHBondContact O-N 3.21Š|
| 155 | D | 43.8 | Very low | 51.6 | Low | 118 Ų | 118 | 123.9 Ų | 123.9 | 63% | 0.631 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -92.7 | -4.4 | 178.2 | -67.7 | -73.3 | 0 | 0 | 0 | 114.6 | H151 G157 | H151-D155 IonicContact CE1-OD2 3.27Å; H151-D155 PolarHBondContact CE1-OD2 3.3Å; H151-D155 VanDerWaalsContact CE1-OD2 3.27Å; H151-D155 IonicContact ND1-OD2 2.82Å; H151-D155 PolarHBondContact ND1-OD2 3Å; H151-D155 PolarHBondContact O-N 3.34Å; D155-G157 VanDerWaalsContact C-N 3.34Å; D155-G157 PolarHBondContact O-N 2.82Å |
| 156 | Q | 48.5 | Very low | 51.5 | Low | 178 Ų | 178 | 123 Ų | 123 | 83% | 0.832 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -95.1 | 36.9 | 178.8 | -154.4 | 87.4 | 76.9 | 0 | 0 | 113 | ||
| 157 | G | 47.9 | Very low | 51.2 | Low | 60 Ų | 60 | 124 Ų | 124 | 62% | 0.619 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 169.2 | 72.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | D155 | D155-G157 VanDerWaalsContact C-N 3.34Å; D155-G157 PolarHBondContact O-N 2.82Å |
| 158 | V | 45.1 | Very low | 51 | Low | 127 Ų | 127 | 124.8 Ų | 124.8 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | trans | 173.9 | 118.2 | 133.1 | 150.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 159 | S | 51.6 | Low | 51.1 | Low | 120 Ų | 120 | 124.1 Ų | 124.1 | 84% | 0.839 | 68% | 0.681 | S | S | * | * | trans | -68.1 | 133.4 | 170 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | D161 | S159-D161 PolarHBondContact O-N 3.32Š| ||
| 160 | G | 53.9 | Low | 51.1 | Low | 73 Ų | 73 | 122.3 Ų | 122.3 | 75% | 0.753 | 68% | 0.681 | S | S | * | * | trans | -35.6 | 113.2 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 161 | D | 46.4 | Very low | 50.5 | Low | 150 Ų | 150 | 122.3 Ų | 122.3 | 80% | 0.802 | 68% | 0.681 | S | S | * | * | trans | -99.5 | 126.9 | 162.8 | -165.2 | 27.1 | 0 | 0 | 0 | 108.2 | S159 | S159-D161 PolarHBondContact O-N 3.32Š| ||
| 162 | Q | 40 | Very low | 50.9 | Low | 129 Ų | 129 | 120.2 Ų | 120.2 | 60% | 0.603 | 68% | 0.678 | S | S | * | * | trans | -84.9 | 145.6 | -171.1 | -61.3 | -175.2 | 26.2 | 0 | 0 | 110.8 | S164 | Q162-S164 PolarHBondContact O-N 2.85Š| ||
| 163 | V | 54.4 | Low | 51.4 | Low | 128 Ų | 128 | 119.2 Ų | 119.2 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | trans | -69.6 | 95.4 | 175.8 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 164 | S | 51.8 | Low | 51.9 | Low | 49 Ų | 49 | 113 Ų | 113 | 34% | 0.343 | 66% | 0.658 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87 | 141.4 | 174.7 | 62.5 | 0 | 0 | 0 | 0 | 111.2 | Q162 Q171 | Q162-S164 PolarHBondContact O-N 2.85Å; S164-Q171 PolarHBondContact OG-OE1 3.49Å |
| 165 | I | 56.2 | Low | 52.5 | Low | 96 Ų | 96 | 107.3 Ų | 107.3 | 49% | 0.492 | 65% | 0.647 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.8 | 138.2 | 168 | -164.9 | 168.4 | 0 | 0 | 0 | 108.8 | V172 L174 | I165-V172 PolarHBondContact N-O 2.84Å; I165-V172 PolarHBondContact O-N 3.23Å; I165-L174 HydrophobicContact CB-CD1 4.29Å; I165-L174 HydrophobicContact CG2-CD1 4.06Å; I165-L174 HydrophobicContact CG2-CD2 3.96Å; I165-L174 HydrophobicContact CG2-CG 4.07Å |
| 166 | M | 57.5 | Low | 53.6 | Low | 129 Ų | 129 | 103.9 Ų | 103.9 | 64% | 0.635 | 63% | 0.633 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.1 | 130.8 | 170.7 | -70 | -162.3 | -48.9 | 0 | 0 | 110.1 | Q171 | M166-Q171 HydrophobicContact CG-CG 3.66Å; M166-Q171 HydrophobicContact SD-CG 4.2Å |
| 167 | V | 54.2 | Low | 54.1 | Low | 102 Ų | 102 | 104.2 Ų | 104.2 | 62% | 0.618 | 63% | 0.627 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -129.6 | 127.4 | 163.1 | -173.3 | 0 | 0 | 0 | 0 | 106.8 | G169 V170 | V167-G169 PolarHBondContact O-N 3.34Å; V167-V170 PolarHBondContact O-N 2.84Å |
| 168 | D | 55.4 | Low | 54.9 | Low | 168 Ų | 168 | 107.1 Ų | 107.1 | 90% | 0.898 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47.8 | 32.8 | -176.2 | -62.4 | -26.3 | 0 | 0 | 0 | 116.2 | ||
| 169 | G | 58.8 | Low | 55.9 | Low | 64 Ų | 64 | 105.1 Ų | 105.1 | 66% | 0.66 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.7 | 3.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | V167 | V167-G169 PolarHBondContact O-N 3.34Š|
| 170 | V | 56.2 | Low | 56.6 | Low | 102 Ų | 102 | 103.2 Ų | 103.2 | 62% | 0.618 | 60% | 0.598 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.4 | 170.5 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | V167 | V167-V170 PolarHBondContact O-N 2.84Å |
| 171 | Q | 42.5 | Very low | 57 | Low | 132 Ų | 132 | 103.1 Ų | 103.1 | 62% | 0.617 | 58% | 0.583 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.8 | 125.9 | 173.8 | -74.9 | -175.9 | 87.2 | 0 | 0 | 109.9 | S164 M166 | S164-Q171 PolarHBondContact OG-OE1 3.49Å; M166-Q171 HydrophobicContact CG-CG 3.66Å; M166-Q171 HydrophobicContact SD-CG 4.2Å |
| 172 | V | 57.1 | Low | 57.7 | Low | 90 Ų | 90 | 104.8 Ų | 104.8 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.8 | 127.8 | 173.3 | -170.3 | 0 | 0 | 0 | 0 | 108.3 | I165 | I165-V172 PolarHBondContact N-O 2.84Å; I165-V172 PolarHBondContact O-N 3.23Å |
| 173 | A | 61.2 | Low | 58.7 | Low | 60 Ų | 60 | 100.5 Ų | 100.5 | 50% | 0.496 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.5 | 131.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 174 | L | 58.6 | Low | 58.6 | Low | 91 Ų | 91 | 99.4 Ų | 99.4 | 48% | 0.476 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -85.5 | 134.4 | 173 | -65.7 | 175.3 | 0 | 0 | 0 | 109 | I165 | I165-L174 HydrophobicContact CB-CD1 4.29Å; I165-L174 HydrophobicContact CG2-CD1 4.06Å; I165-L174 HydrophobicContact CG2-CD2 3.96Å; I165-L174 HydrophobicContact CG2-CG 4.07Å |
| 175 | P | 61.4 | Low | 58.8 | Low | 88 Ų | 88 | 101.7 Ų | 101.7 | 57% | 0.571 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 141.9 | 173.4 | -23.3 | 33.1 | 0 | 0 | 0 | 110.9 | ||
| 176 | S | 67.3 | Low | 58.6 | Low | 46 Ų | 46 | 100.6 Ų | 100.6 | 32% | 0.322 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 157.6 | 173.8 | 68.3 | 0 | 0 | 0 | 0 | 110.8 | E178 E179 A180 | S176-E178 VanDerWaalsContact C-N 3.25Å; S176-E178 WeakPolarHBondContact CB-OE1 3.46Å; S176-E178 PolarHBondContact O-N 3.37Å; S176-E178 PolarHBondContact OG-OE1 3.43Å; S176-E179 PolarHBondContact O-N 3.04Å; S176-A180 PolarHBondContact O-N 3.18Å; S176-A180 VanDerWaalsContact O-N 3.08Å |
| 177 | Y | 58.4 | Low | 57.6 | Low | 184 Ų | 184 | 103.1 Ų | 103.1 | 72% | 0.722 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59.6 | -37.7 | -177.8 | 178.5 | -98.3 | 0 | 0 | 0 | 111.8 | E179 A180 V181 | Y177-E179 PolarHBondContact O-N 3.27Å; Y177-A180 PolarHBondContact O-N 2.85Å; Y177-V181 HydrophobicContact CD1-CG2 4.39Å; Y177-V181 HydrophobicContact CD2-CG2 4.18Å; Y177-V181 HydrophobicContact CE1-CG2 4.02Å; Y177-V181 HydrophobicContact CE2-CG2 3.78Å; Y177-V181 HydrophobicContact CG-CG2 4.47Å; Y177-V181 WeakPolarHBondContact O-CB 3.22Å; Y177-V181 WeakPolarHBondContact O-CG2 3.38Å; Y177-V181 PolarHBondContact O-N 3.41Å; Y177-V181 VanDerWaalsContact O-N 3.15Å |
| 178 | E | 65.8 | Low | 57.1 | Low | 121 Ų | 121 | 104.7 Ų | 104.7 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.7 | -35.4 | 175 | 64.4 | -80.2 | 172 | 0 | 0 | 113.5 | S176 Y182 | S176-E178 VanDerWaalsContact C-N 3.25Å; S176-E178 WeakPolarHBondContact CB-OE1 3.46Å; S176-E178 PolarHBondContact O-N 3.37Å; S176-E178 PolarHBondContact OG-OE1 3.43Å; E178-Y182 HydrophobicContact CB-CD2 4.42Å; E178-Y182 WeakPolarHBondContact O-CB 3.25Å; E178-Y182 WeakPolarHBondContact O-CD2 3.37Å; E178-Y182 PolarHBondContact O-N 3.44Å |
| 179 | E | 65.8 | Low | 56.4 | Low | 86 Ų | 86 | 102.8 Ų | 102.8 | 40% | 0.402 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -72.3 | -39 | 177.6 | -174.1 | 166.9 | -139.7 | 0 | 0 | 112.2 | S176 Y177 V181 G183 S184 | S176-E179 PolarHBondContact O-N 3.04Å; Y177-E179 PolarHBondContact O-N 3.27Å; E179-V181 VanDerWaalsContact C-N 3.33Å; E179-V181 PolarHBondContact O-N 3.15Å; E179-G183 VanDerWaalsContact O-CA 3.3Å; E179-G183 WeakPolarHBondContact O-CA 3.26Å; E179-G183 PolarHBondContact O-N 2.99Å; E179-S184 VanDerWaalsContact OE1-CB 3.31Å; E179-S184 WeakPolarHBondContact OE1-CB 3.37Å; E179-S184 PolarHBondContact OE1-OG 2.98Å |
| 180 | A | 66.4 | Low | 55.7 | Low | 79 Ų | 79 | 105 Ų | 105 | 65% | 0.653 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69 | -27.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S176 Y177 | S176-A180 PolarHBondContact O-N 3.18Å; S176-A180 VanDerWaalsContact O-N 3.08Å; Y177-A180 PolarHBondContact O-N 2.85Å |
| 181 | V | 61.9 | Low | 55.2 | Low | 71 Ų | 71 | 106.6 Ų | 106.6 | 43% | 0.43 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -93.8 | -37.4 | -178.7 | 175.2 | 0 | 0 | 0 | 0 | 112.7 | Y177 E179 | Y177-V181 HydrophobicContact CD1-CG2 4.39Å; Y177-V181 HydrophobicContact CD2-CG2 4.18Å; Y177-V181 HydrophobicContact CE1-CG2 4.02Å; Y177-V181 HydrophobicContact CE2-CG2 3.78Å; Y177-V181 HydrophobicContact CG-CG2 4.47Å; Y177-V181 WeakPolarHBondContact O-CB 3.22Å; Y177-V181 WeakPolarHBondContact O-CG2 3.38Å; Y177-V181 PolarHBondContact O-N 3.41Å; Y177-V181 VanDerWaalsContact O-N 3.15Å; E179-V181 VanDerWaalsContact C-N 3.33Å; E179-V181 PolarHBondContact O-N 3.15Å |
| 182 | Y | 61.1 | Low | 54.9 | Low | 185 Ų | 185 | 104.9 Ų | 104.9 | 73% | 0.725 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -108.2 | -13.9 | -173.2 | -62.1 | -73.9 | 0 | 0 | 0 | 114.6 | E178 | E178-Y182 HydrophobicContact CB-CD2 4.42Å; E178-Y182 WeakPolarHBondContact O-CB 3.25Å; E178-Y182 WeakPolarHBondContact O-CD2 3.37Å; E178-Y182 PolarHBondContact O-N 3.44Å |
| 183 | G | 60 | Low | 54.1 | Low | 39 Ų | 39 | 105.7 Ų | 105.7 | 40% | 0.402 | 64% | 0.64 | S | S | . | * | trans | 72 | 154.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E179 S185 | E179-G183 VanDerWaalsContact O-CA 3.3Å; E179-G183 WeakPolarHBondContact O-CA 3.26Å; E179-G183 PolarHBondContact O-N 2.99Å; G183-S185 PolarHBondContact O-N 3.34Å | ||
| 184 | S | 54.1 | Low | 53.4 | Low | 106 Ų | 106 | 109.3 Ų | 109.3 | 74% | 0.741 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -73.9 | 29.1 | -172.6 | -133.7 | 0 | 0 | 0 | 0 | 114.8 | E179 | E179-S184 VanDerWaalsContact OE1-CB 3.31Å; E179-S184 WeakPolarHBondContact OE1-CB 3.37Å; E179-S184 PolarHBondContact OE1-OG 2.98Å |
| 185 | S | 54.8 | Low | 52.6 | Low | 96 Ų | 96 | 114.8 Ų | 114.8 | 67% | 0.671 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -134.6 | 82.2 | 176.5 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | G183 H187 | G183-S185 PolarHBondContact O-N 3.34Å; S185-H187 PolarHBondContact O-N 2.91Å |
| 186 | G | 52.4 | Low | 51.7 | Low | 74 Ų | 74 | 116.8 Ų | 116.8 | 76% | 0.763 | 68% | 0.682 | S | S | * | * | trans | -57 | 120.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 187 | H | 35.8 | Very low | 50.4 | Low | 182 Ų | 182 | 122.9 Ų | 122.9 | 84% | 0.843 | 71% | 0.706 | S | S | * | * | trans | -134.3 | 125.1 | 164 | -108.9 | 55.7 | 0 | 0 | 0 | 109.4 | S185 | S185-H187 PolarHBondContact O-N 2.91Š| ||
| 188 | C | 43.7 | Very low | 50.1 | Low | 134 Ų | 134 | 120.8 Ų | 120.8 | 91% | 0.905 | 71% | 0.706 | S | S | * | * | trans | -78 | 132.3 | -173.9 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 189 | V | 41.1 | Very low | 48.7 | Very low | 129 Ų | 129 | 119.6 Ų | 119.6 | 78% | 0.782 | 71% | 0.706 | S | S | * | * | trans | -135.1 | 134.3 | 166.9 | -177 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 190 | P | 45.4 | Very low | 47.5 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | trans | -76.9 | 168.7 | -169.8 | 31.3 | -36.8 | 0 | 0 | 0 | 113.9 | ||||
| 191 | P | 45.6 | Very low | 46.1 | Very low | 135 Ų | 135 | 124 Ų | 124 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | trans | -76.7 | 143.7 | -164.9 | 30.8 | -36.4 | 0 | 0 | 0 | 113.6 | ||||
| 192 | A | 36.2 | Very low | 44.9 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -126.6 | 118.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 193 | D | 38.4 | Very low | 43.6 | Very low | 108 Ų | 108 | 125 Ų | 125 | 58% | 0.578 | 76% | 0.756 | S | S | * | * | trans | 52.4 | 111.9 | 152.3 | -149.8 | -13 | 0 | 0 | 0 | 120 | R195 | D193-R195 PolarHBondContact O-N 2.88Å; D193-R195 WeakPolarHBondContact OD1-CD 3.24Å; D193-R195 VanDerWaalsContact OD1-CG 3.32Å; D193-R195 WeakPolarHBondContact OD1-CG 3.07Å; D193-R195 WeakPolarHBondContact OD2-CD 3.34Å | ||
| 194 | P | 47.1 | Very low | 42.1 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -77.4 | 68.8 | 172.2 | 35.3 | -35.7 | 0 | 0 | 0 | 111.6 | ||||
| 195 | R | 43.1 | Very low | 41.1 | Very low | 207 Ų | 207 | 127.7 Ų | 127.7 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -126.9 | 65.4 | 179.5 | -82.2 | -178.2 | 164.7 | -179.8 | -6.2 | 113.1 | D193 | D193-R195 PolarHBondContact O-N 2.88Å; D193-R195 WeakPolarHBondContact OD1-CD 3.24Å; D193-R195 VanDerWaalsContact OD1-CG 3.32Å; D193-R195 WeakPolarHBondContact OD1-CG 3.07Å; D193-R195 WeakPolarHBondContact OD2-CD 3.34Å | ||
| 196 | V | 42.3 | Very low | 40.3 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | trans | -108.6 | 96.5 | 161.3 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | I198 | V196-I198 HydrophobicContact CG1-CG1 4.06Å; V196-I198 PolarHBondContact O-N 2.93Å | ||
| 197 | Q | 39.4 | Very low | 39.2 | Very low | 174 Ų | 174 | 132 Ų | 132 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -77 | 93.1 | 174.7 | -175.2 | -179.5 | 53.8 | 0 | 0 | 108.8 | V199 | Q197-V199 VanDerWaalsContact C-N 3.34Å; Q197-V199 HydrophobicContact CG-CG2 3.98Å; Q197-V199 PolarHBondContact O-N 2.99Å | ||
| 198 | I | 51.1 | Low | 38.9 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 72% | 0.723 | 79% | 0.79 | S | S | * | * | trans | -76.1 | 89.2 | 176.1 | -53.2 | 179.3 | 0 | 0 | 0 | 108.8 | V196 L200 | V196-I198 HydrophobicContact CG1-CG1 4.06Å; V196-I198 PolarHBondContact O-N 2.93Å; I198-L200 HydrophobicContact CG2-CG 4.2Å | ||
| 199 | V | 37.8 | Very low | 38.3 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 58% | 0.582 | 79% | 0.793 | S | S | * | * | trans | -77.6 | 115.5 | 166.1 | -176 | 0 | 0 | 0 | 0 | 108 | Q197 | Q197-V199 VanDerWaalsContact C-N 3.34Å; Q197-V199 HydrophobicContact CG-CG2 3.98Å; Q197-V199 PolarHBondContact O-N 2.99Å | ||
| 200 | L | 40.7 | Very low | 37.7 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -111.7 | 114.9 | 161.5 | -72.5 | 176 | 0 | 0 | 0 | 108.2 | I198 | I198-L200 HydrophobicContact CG2-CG 4.2Š| ||
| 201 | S | 36.9 | Very low | 36.9 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | trans | -89.6 | 150.2 | -175.3 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 202 | E | 36.4 | Very low | 36.2 | Very low | 198 Ų | 198 | 131.9 Ų | 131.9 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | 73.2 | 114.3 | 147.6 | -152.3 | 132.4 | 134.5 | 0 | 0 | 120.2 | ||||
| 203 | G | 33.7 | Very low | 35.9 | Very low | 78 Ų | 78 | 136.7 Ų | 136.7 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -164.3 | 121.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 204 | S | 29.1 | Very low | 35.4 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 92% | 0.923 | 79% | 0.794 | S | S | * | * | trans | -90.2 | 144 | -159.6 | 48.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 205 | G | 32 | Very low | 34.4 | Very low | 70 Ų | 70 | 137.8 Ų | 137.8 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | 175.5 | 120.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 206 | P | 37.8 | Very low | 33.6 | Very low | 128 Ų | 128 | 137 Ų | 137 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -96.5 | 164.7 | -169.4 | 36.7 | -35.8 | 0 | 0 | 0 | 115 | ||||
| 207 | S | 28.8 | Very low | 33.5 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | 82.5 | 107.9 | 165.8 | -154.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 208 | G | 30.8 | Very low | 33.8 | Very low | 73 Ų | 73 | 133.2 Ų | 133.2 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | 176.9 | 47.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S210 | G208-S210 PolarHBondContact O-N 2.85Š| ||
| 209 | R | 29.8 | Very low | 32.5 | Very low | 253 Ų | 253 | 132.6 Ų | 132.6 | 96% | 0.955 | 78% | 0.779 | S | S | * | * | trans | -44 | 110.9 | -178.7 | 172.3 | -175.6 | 169.5 | -177.5 | -2.7 | 114.7 | ||||
| 210 | S | 29.4 | Very low | 32.2 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -149.8 | 114.7 | 145.5 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | G208 | G208-S210 PolarHBondContact O-N 2.85Š| ||
| 211 | V | 28.1 | Very low | 31.6 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -114 | 117.7 | 167.6 | 170 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 212 | S | 32.3 | Very low | 31.1 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -84.3 | 131.2 | 164.2 | -63.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 213 | R | 30 | Very low | 30.7 | Very low | 197 Ų | 197 | 129 Ų | 129 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | -176.8 | 141.5 | 170.5 | -113 | -165.4 | 147 | 92.2 | -1.8 | 107.4 | ||||
| 214 | E | 26.8 | Very low | 30.5 | Very low | 130 Ų | 130 | 131 Ų | 131 | 61% | 0.607 | 79% | 0.792 | S | S | * | * | cis | -140.8 | 137.1 | 10.5 | -84 | -169.5 | -32.5 | 0 | 0 | 110.2 | ||||
| 215 | Q | 25.7 | Very low | 30.4 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 63% | 0.631 | 79% | 0.787 | S | S | * | * | 89.4 | 102.2 | 93.3 | -66.3 | 167.8 | 6.1 | 0 | 0 | 117.2 | |||||
| 216 | Q | 26.2 | Very low | 30.1 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | 55.8 | 126.5 | 131.5 | -96.2 | 173.7 | -114.1 | 0 | 0 | 123.5 | ||||
| 217 | P | 41.5 | Very low | 29.5 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -110.3 | 165.8 | 169.1 | 42.6 | -35.5 | 0 | 0 | 0 | 114.3 | ||||
| 218 | P | 44.3 | Very low | 29.6 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | -101.4 | 169.4 | 144.8 | 38.5 | -30.8 | 0 | 0 | 0 | 110.6 | ||||
| 219 | D | 24.5 | Very low | 29.8 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | cis | -153 | 155.2 | 3.4 | -130 | -18 | 0 | 0 | 0 | 112.2 | ||||
| 220 | Q | 31.4 | Very low | 29.8 | Very low | 174 Ų | 174 | 126.3 Ų | 126.3 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | 23.1 | 146.8 | 149.1 | -65 | 164.4 | 68 | 0 | 0 | 121.8 | ||||
| 221 | G | 28 | Very low | 29.8 | Very low | 77 Ų | 77 | 129.7 Ų | 129.7 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | cis | -177.5 | 179.6 | 10.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 222 | A | 27.4 | Very low | 30.1 | Very low | 96 Ų | 96 | 127.3 Ų | 127.3 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | trans | -110.1 | 167.6 | -155.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 223 | C | 27.2 | Very low | 30.9 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | trans | 91.2 | 133.9 | 148.7 | -68.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 224 | S | 29 | Very low | 30.8 | Very low | 119 Ų | 119 | 121.5 Ų | 121.5 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -61.4 | 154 | 177.9 | -34.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 225 | S | 27 | Very low | 31 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | 164.9 | 149.4 | 107.6 | -161.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 226 | A | 26.7 | Very low | 31.2 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | 42.6 | 128.7 | 151.5 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 227 | G | 25.4 | Very low | 31.4 | Very low | 81 Ų | 81 | 117.5 Ų | 117.5 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | 107.3 | 135.2 | 121.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 228 | G | 30 | Very low | 31 | Very low | 57 Ų | 57 | 120.3 Ų | 120.3 | 59% | 0.588 | 79% | 0.788 | S | S | * | * | trans | 92.2 | 112.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 229 | E | 34.5 | Very low | 30.5 | Very low | 190 Ų | 190 | 120.3 Ų | 120.3 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | 77.9 | 125.3 | 66.1 | 82.6 | -157.1 | 87.9 | 0 | 0 | 111.7 | |||||
| 230 | D | 30.8 | Very low | 30.8 | Very low | 146 Ų | 146 | 122.7 Ų | 122.7 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | cis | -131.9 | 175.5 | 47.6 | -101 | -61 | 0 | 0 | 0 | 113.1 | ||||
| 231 | E | 28.9 | Very low | 30.7 | Very low | 182 Ų | 182 | 120.8 Ų | 120.8 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | cis | -149.6 | 151 | 17.7 | -158.5 | 170.8 | 106.7 | 0 | 0 | 111.2 | ||||
| 232 | A | 34.7 | Very low | 30.8 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | trans | -146.1 | 175.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 233 | P | 48.4 | Very low | 30.9 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | cis | -154.9 | -176.1 | 43.2 | 41.8 | -18.6 | 0 | 0 | 0 | 118.4 | ||||
| 234 | G | 28.2 | Very low | 31 | Very low | 64 Ų | 64 | 126.2 Ų | 126.2 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | trans | 148.3 | 75.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 235 | Q | 31.1 | Very low | 31.3 | Very low | 185 Ų | 185 | 132.5 Ų | 132.5 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | 55.5 | 133.6 | 102.9 | -62.3 | 178.6 | 3.2 | 0 | 0 | 115.3 | |||||
| 236 | S | 30.6 | Very low | 31.6 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | cis | -171.4 | 164.7 | -12.5 | -78.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 237 | G | 30.8 | Very low | 32.1 | Very low | 64 Ų | 64 | 131.7 Ų | 131.7 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | cis | 147.4 | 133 | -6.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 238 | L | 32.7 | Very low | 32.8 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | trans | 70.9 | 157.2 | 170.2 | -49 | 171.4 | 0 | 0 | 0 | 116.9 | ||||
| 239 | C | 32.9 | Very low | 33.2 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 75% | 0.75 | 81% | 0.807 | S | S | * | * | cis | -160.2 | 172.2 | -24.7 | -112.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 240 | E | 31.3 | Very low | 33.2 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -33.9 | 160.7 | 178.3 | -48.4 | -175.8 | 142.1 | 0 | 0 | 120.8 | ||||
| 241 | V | 29.1 | Very low | 33.5 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | 172.2 | 119.2 | 113.2 | 155.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 242 | W | 30.3 | Very low | 34.1 | Very low | 245 Ų | 245 | 135.6 Ų | 135.6 | 93% | 0.928 | 80% | 0.802 | S | S | * | * | trans | 54.5 | 121 | 138.2 | -155 | -83.4 | 0 | 0 | 0 | 126.1 | ||||
| 243 | G | 28.9 | Very low | 34 | Very low | 70 Ų | 70 | 140.3 Ų | 140.3 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | 88.6 | 163.7 | 138 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 244 | S | 30.2 | Very low | 33.5 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | cis | -170.9 | 148 | -14.2 | -177 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 245 | R | 34.8 | Very low | 33.7 | Very low | 252 Ų | 252 | 144.9 Ų | 144.9 | 95% | 0.951 | 82% | 0.819 | S | S | * | * | trans | 62.4 | 140 | 164 | -79.8 | 179.5 | 169.7 | -125.6 | -2.1 | 120.7 | ||||
| 246 | G | 32.5 | Very low | 33.9 | Very low | 79 Ų | 79 | 142.6 Ų | 142.6 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | 157.2 | 93.2 | 159 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 247 | S | 38.2 | Very low | 34.3 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -96.7 | 179.5 | 175.6 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 248 | E | 39.1 | Very low | 34.6 | Very low | 181 Ų | 181 | 145.9 Ų | 145.9 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | trans | 86.5 | 140.7 | 168.2 | -52.5 | -177.7 | 159.8 | 0 | 0 | 115.9 | ||||
| 249 | T | 38.9 | Very low | 34.9 | Very low | 124 Ų | 124 | 143 Ų | 143 | 76% | 0.761 | 82% | 0.82 | S | S | * | * | cis | -177.3 | -172.1 | -25.4 | 40.6 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 250 | V | 34.6 | Very low | 35 | Very low | 119 Ų | 119 | 149.5 Ų | 149.5 | 72% | 0.721 | 83% | 0.829 | S | S | * | * | trans | 101.6 | 103.9 | 169.3 | -175.4 | 0 | 0 | 0 | 0 | 115 | V252 | V250-V252 HydrophobicContact CG1-CG2 3.86Š| ||
| 251 | M | 38.3 | Very low | 35.5 | Very low | 186 Ų | 186 | 147.7 Ų | 147.7 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -111.5 | 129.5 | 152.6 | -74.5 | -163.7 | -69.2 | 0 | 0 | 108.5 | ||||
| 252 | V | 39.8 | Very low | 35.8 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 78% | 0.776 | 83% | 0.831 | S | S | * | * | trans | -94.2 | 137.6 | 178.7 | 176.6 | 0 | 0 | 0 | 0 | 109.6 | V250 | V250-V252 HydrophobicContact CG1-CG2 3.86Š| ||
| 253 | H | 33.2 | Very low | 36 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 85% | 0.847 | 83% | 0.826 | S | S | * | * | trans | -72.4 | 144.1 | 179.3 | -64.1 | -169.6 | 0 | 0 | 0 | 111.6 | ||||
| 254 | Q | 38.8 | Very low | 36.4 | Very low | 189 Ų | 189 | 141.2 Ų | 141.2 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | trans | -134.7 | 104.7 | 164 | -157.4 | 169.9 | 2 | 0 | 0 | 110 | ||||
| 255 | A | 30.9 | Very low | 36.4 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | trans | -85.8 | 133.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 256 | T | 35.3 | Very low | 36.5 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 85% | 0.847 | 83% | 0.834 | S | S | * | * | trans | -110.7 | 132.3 | 173.6 | -52.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 257 | T | 39.4 | Very low | 36.4 | Very low | 133 Ų | 133 | 144.1 Ų | 144.1 | 82% | 0.816 | 84% | 0.841 | S | S | * | * | trans | -86.8 | 144 | -175.6 | 54.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 258 | S | 38.5 | Very low | 36 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | trans | -143.3 | 146.9 | 154.2 | 61.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 259 | S | 38.3 | Very low | 35.7 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 78% | 0.776 | 84% | 0.835 | S | S | * | * | trans | -94.3 | 149.4 | -163.7 | -177.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 260 | W | 33.7 | Very low | 35.3 | Very low | 248 Ų | 248 | 143.5 Ų | 143.5 | 94% | 0.939 | 84% | 0.837 | S | S | * | * | trans | -82.8 | 131.1 | 170.3 | -64 | 90.9 | 0 | 0 | 0 | 111 | ||||
| 261 | V | 41.9 | Very low | 35.3 | Very low | 139 Ų | 139 | 146.3 Ų | 146.3 | 84% | 0.842 | 84% | 0.842 | S | S | * | * | trans | -105.9 | 125.8 | 167 | 173.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 262 | A | 37.4 | Very low | 35 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 84% | 0.843 | 84% | 0.839 | S | S | * | * | trans | -84.1 | 138.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 263 | G | 33.8 | Very low | 34.8 | Very low | 79 Ų | 79 | 149 Ų | 149 | 81% | 0.814 | 84% | 0.841 | S | S | * | * | trans | -133.7 | 122.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 264 | S | 36.3 | Very low | 34.8 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 92% | 0.923 | 83% | 0.834 | S | S | * | * | trans | -90.6 | 146.7 | -172.7 | -172.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 265 | G | 31.2 | Very low | 34.8 | Very low | 74 Ų | 74 | 139.2 Ų | 139.2 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | -174.3 | 86.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 266 | N | 36.8 | Very low | 34.9 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | trans | -73.5 | 137.1 | 170.6 | -104.2 | 13.7 | 0 | 0 | 0 | 112 | ||||
| 267 | R | 29.8 | Very low | 35 | Very low | 257 Ų | 257 | 141 Ų | 141 | 97% | 0.97 | 82% | 0.824 | S | S | * | * | trans | -160.4 | 162.6 | 142.3 | -110.1 | 169.5 | -150 | -135.5 | 5.6 | 112.4 | ||||
| 268 | Q | 31.2 | Very low | 35.2 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | trans | -117.2 | 147.6 | -153.1 | 175.9 | 72.8 | -31.2 | 0 | 0 | 111.8 | ||||
| 269 | L | 32 | Very low | 35 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 77% | 0.77 | 83% | 0.826 | S | S | * | * | trans | 42 | 130.2 | 165.3 | -96.6 | 76.8 | 0 | 0 | 0 | 120.4 | ||||
| 270 | A | 30.1 | Very low | 35.3 | Very low | 99 Ų | 99 | 144 Ų | 144 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | -168 | 138.5 | 115.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 271 | H | 34.3 | Very low | 36 | Very low | 178 Ų | 178 | 140 Ų | 140 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -63.8 | 131.7 | 164.6 | -113.8 | -84.2 | 0 | 0 | 0 | 110.5 | ||||
| 272 | K | 31.9 | Very low | 36.6 | Very low | 194 Ų | 194 | 140.4 Ų | 140.4 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -163.2 | 104.7 | 145.1 | -166.1 | 146.7 | -175.2 | 168.1 | 0 | 111.8 | ||||
| 273 | E | 36 | Very low | 36.9 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -88.3 | 136.6 | 161.6 | -75.2 | 171.9 | 101.3 | 0 | 0 | 109.8 | ||||
| 274 | A | 32.3 | Very low | 37.3 | Very low | 83 Ų | 83 | 146.7 Ų | 146.7 | 69% | 0.686 | 82% | 0.815 | S | S | * | * | trans | -164.9 | 125.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 275 | A | 39.7 | Very low | 37.8 | Very low | 84 Ų | 84 | 148.4 Ų | 148.4 | 69% | 0.694 | 81% | 0.812 | S | S | * | * | trans | 47.4 | 121.6 | 139.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 276 | D | 33.2 | Very low | 38.5 | Very low | 156 Ų | 156 | 152.9 Ų | 152.9 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | cis | -169.9 | 150 | 37 | -81.3 | -47.6 | 0 | 0 | 0 | 110.6 | ||||
| 277 | S | 36.2 | Very low | 38.8 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | 174.5 | 92.7 | 135.6 | -107.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 278 | E | 44.3 | Very low | 39.4 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | 28.5 | 108.2 | 121.9 | -166.6 | 169.7 | 107.2 | 0 | 0 | 118.7 | |||||
| 279 | N | 34.6 | Very low | 39.9 | Very low | 151 Ų | 151 | 145 Ų | 145 | 81% | 0.807 | 81% | 0.814 | S | S | * | * | trans | -174.4 | 138.7 | 131.1 | -165.3 | 10.4 | 0 | 0 | 0 | 113.9 | ||||
| 280 | S | 44.7 | Very low | 40.3 | Very low | 86 Ų | 86 | 144.1 Ų | 144.1 | 60% | 0.601 | 82% | 0.82 | S | S | * | * | trans | 74.4 | 84 | 153.2 | -68.8 | 0 | 0 | 0 | 0 | 121.6 | I282 | S280-I282 PolarHBondContact O-N 3.35Š| ||
| 281 | D | 47.5 | Very low | 41 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | -77.6 | 95.6 | 148.7 | -74.3 | -63.2 | 0 | 0 | 0 | 111.7 | ||||
| 282 | I | 55.3 | Low | 41.4 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | trans | -151.1 | 60.9 | 164.8 | 51 | 157.5 | 0 | 0 | 0 | 114.2 | S280 | S280-I282 PolarHBondContact O-N 3.35Š| ||
| 283 | Q | 43.7 | Very low | 41.5 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | trans | -155.7 | 10.4 | 165.7 | -120.3 | 156.3 | 29.1 | 0 | 0 | 119.4 | L285 | Q283-L285 PolarHBondContact O-N 3.02Š| ||
| 284 | S | 42.6 | Very low | 42.2 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -88.7 | 18.2 | -176 | -56.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 285 | L | 47.2 | Very low | 43.2 | Very low | 167 Ų | 167 | 146 Ų | 146 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -124.5 | 42.6 | -177.7 | -69.4 | -179.6 | 0 | 0 | 0 | 114.6 | Q283 | Q283-L285 PolarHBondContact O-N 3.02Š|
| 286 | L | 45.6 | Very low | 43.8 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 88% | 0.88 | 81% | 0.813 | S | S | * | * | trans | -142.7 | 77 | 163.7 | -74.5 | -179.2 | 0 | 0 | 0 | 111 | ||||
| 287 | S | 42.9 | Very low | 45.1 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -152.2 | 43.3 | 171.4 | -69.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 288 | L | 42.9 | Very low | 46.2 | Very low | 169 Ų | 169 | 148.4 Ų | 148.4 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | -147.8 | 80.4 | 168.9 | -77 | -177.7 | 0 | 0 | 0 | 111.1 | ||||
| 289 | T | 41.4 | Very low | 46.4 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | trans | -168.3 | 93 | 142.6 | 46.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 290 | S | 40.7 | Very low | 47.3 | Very low | 127 Ų | 127 | 147.9 Ų | 147.9 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -145.2 | 87.6 | 150.8 | -161.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 291 | E | 43.4 | Very low | 47.8 | Very low | 156 Ų | 156 | 152 Ų | 152 | 73% | 0.729 | 81% | 0.81 | S | S | * | * | trans | -67.4 | 173.7 | 164.8 | 57.2 | -137.6 | 91.1 | 0 | 0 | 111.4 | ||||
| 292 | E | 42.7 | Very low | 47.9 | Very low | 176 Ų | 176 | 153.6 Ų | 153.6 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | 79 | 77.3 | 166.1 | -152.5 | 106.7 | -140.7 | 0 | 0 | 118.3 | ||||
| 293 | Y | 35 | Very low | 47.5 | Very low | 209 Ų | 209 | 154.2 Ų | 154.2 | 82% | 0.82 | 84% | 0.839 | S | S | * | * | trans | -146.4 | 128.8 | 133.1 | -164.5 | -94.4 | 0 | 0 | 0 | 111.1 | ||||
| 294 | T | 51.1 | Low | 47.7 | Very low | 107 Ų | 107 | 152.4 Ų | 152.4 | 66% | 0.656 | 84% | 0.836 | S | S | * | * | trans | -87.2 | 133.6 | -178.6 | 50.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 295 | D | 51.9 | Low | 48 | Very low | 124 Ų | 124 | 154 Ų | 154 | 66% | 0.663 | 84% | 0.836 | S | S | * | * | trans | -154.7 | 107.4 | 153.8 | -137.2 | -62.6 | 0 | 0 | 0 | 111.4 | ||||
| 296 | D | 53.2 | Low | 48 | Very low | 161 Ų | 161 | 153.3 Ų | 153.3 | 86% | 0.861 | 83% | 0.834 | S | S | * | * | trans | -99.4 | 105.8 | 175.2 | -92.5 | -62.6 | 0 | 0 | 0 | 109.7 | ||||
| 297 | I | 60.3 | Low | 48.2 | Very low | 136 Ų | 136 | 152.4 Ų | 152.4 | 70% | 0.697 | 83% | 0.831 | S | S | * | * | trans | -134.2 | 112.3 | 164.5 | -59.5 | -178.1 | 0 | 0 | 0 | 110.1 | ||||
| 298 | P | 58.7 | Low | 48.5 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 72% | 0.721 | 83% | 0.831 | S | S | * | * | trans | -87.5 | 129.5 | 177.7 | 33.1 | -32 | 0 | 0 | 0 | 111.9 | ||||
| 299 | L | 48.2 | Very low | 48.9 | Very low | 169 Ų | 169 | 153.5 Ų | 153.5 | 89% | 0.885 | 83% | 0.827 | S | S | * | * | trans | -123.9 | 86.9 | 163.3 | -73 | -179.9 | 0 | 0 | 0 | 110.6 | K301 | L299-K301 PolarHBondContact O-N 3.45Š| ||
| 300 | L | 55.2 | Low | 49.4 | Very low | 165 Ų | 165 | 155.1 Ų | 155.1 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | trans | -80.6 | 105.6 | 165.8 | -83 | 169.6 | 0 | 0 | 0 | 110.2 | ||||
| 301 | K | 53.8 | Low | 50.1 | Low | 171 Ų | 171 | 157.3 Ų | 157.3 | 74% | 0.743 | 83% | 0.825 | S | S | * | * | 47.6 | 109.3 | 128.7 | -172.1 | 169 | -177.3 | 173.4 | 0 | 117.8 | L299 | L299-K301 PolarHBondContact O-N 3.45Š| |||
| 302 | E | 50.4 | Low | 50.6 | Low | 200 Ų | 200 | 157.4 Ų | 157.4 | 94% | 0.935 | 83% | 0.832 | S | S | * | * | trans | -65.2 | 132.3 | 151.9 | -68 | -147.4 | 130.8 | 0 | 0 | 111.2 | ||||
| 303 | A | 47.3 | Very low | 51.4 | Low | 160 Ų | 160 | 155.7 Ų | 155.7 | 100% | 1.322 | 83% | 0.833 | S | S | * | * | trans | -159.7 | 0 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 303 of 303 residues in 358.8 ms
(Link to these results)