| 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 | 30.3 | Very low | 29 | Very low | 220 Ų | 220 | 155 Ų | 155 | 100% | 1.084 | 85% | 0.852 | S | S | * | * | 0 | 134.9 | 0 | -144.7 | 180 | -165 | 0 | 0 | 106.7 | |||||
| 2 | F | 28.6 | Very low | 29.6 | Very low | 196 Ų | 196 | 158.9 Ų | 158.9 | 86% | 0.86 | 86% | 0.859 | S | S | * | * | trans | 63.1 | 145.6 | -172.5 | -50.3 | -79.6 | 0 | 0 | 0 | 115 | ||||
| 3 | G | 28 | Very low | 29.7 | Very low | 77 Ų | 77 | 155.2 Ų | 155.2 | 79% | 0.794 | 85% | 0.853 | S | S | * | * | cis | -154.3 | 159.1 | -5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 4 | R | 36.1 | Very low | 30.2 | Very low | 229 Ų | 229 | 157.3 Ų | 157.3 | 86% | 0.864 | 85% | 0.849 | S | S | * | * | trans | -88.9 | 147.8 | 177 | -75.2 | 176.1 | 168.2 | 169.8 | -3.7 | 111.4 | ||||
| 5 | S | 28.4 | Very low | 30.6 | Very low | 122 Ų | 122 | 155.6 Ų | 155.6 | 85% | 0.853 | 85% | 0.847 | S | S | * | * | trans | -131.5 | 144.3 | 143.4 | 57.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 6 | R | 30.4 | Very low | 31.8 | Very low | 218 Ų | 218 | 155.8 Ų | 155.8 | 82% | 0.823 | 84% | 0.837 | S | S | * | * | trans | -102.8 | 153.8 | 179.1 | -91 | 179.1 | 164 | 173.9 | -8.1 | 110.5 | ||||
| 7 | S | 30.6 | Very low | 33.4 | Very low | 105 Ų | 105 | 153.5 Ų | 153.5 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | trans | -40.2 | 150 | 170.4 | 55.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 8 | W | 25.6 | Very low | 35.2 | Very low | 251 Ų | 251 | 149.6 Ų | 149.6 | 95% | 0.951 | 80% | 0.802 | S | S | * | * | -162.3 | 170.4 | 113.8 | -128.8 | -13.2 | 0 | 0 | 0 | 115 | |||||
| 9 | V | 27.1 | Very low | 37.3 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | trans | 60.4 | 97.6 | 171.3 | -165.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 10 | G | 28.8 | Very low | 39.4 | Very low | 82 Ų | 82 | 139.2 Ų | 139.2 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | 82.1 | 95.2 | 109.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 11 | G | 24.9 | Very low | 41.6 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | -177.7 | 107.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S13 | G11-S13 PolarHBondContact O-N 3.42Š| ||
| 12 | Q | 36.8 | Very low | 44.1 | Very low | 202 Ų | 202 | 129.4 Ų | 129.4 | 94% | 0.944 | 70% | 0.698 | S | S | * | * | trans | -72.3 | 92.2 | 173.2 | -72.9 | 167.8 | -79.4 | 0 | 0 | 110 | K14 | Q12-K14 PolarHBondContact O-N 3.39Š| ||
| 13 | S | 30.5 | Very low | 46.8 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 78% | 0.776 | 67% | 0.666 | S | S | * | * | trans | -74.1 | 106.6 | 161.6 | -135.4 | 0 | 0 | 0 | 0 | 107.8 | G11 | G11-S13 PolarHBondContact O-N 3.42Š| ||
| 14 | K | 36.6 | Very low | 49.7 | Very low | 184 Ų | 184 | 118.2 Ų | 118.2 | 80% | 0.8 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 144.8 | 167.6 | -65.4 | -178.7 | 177.5 | -176.7 | 0 | 108.5 | Q12 K16 | Q12-K14 PolarHBondContact O-N 3.39Å; K14-K16 PolarHBondContact O-N 2.91Å |
| 15 | T | 36.1 | Very low | 52.2 | Low | 132 Ų | 132 | 111.2 Ų | 111.2 | 81% | 0.81 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 116.4 | 162.8 | 35.8 | 0 | 0 | 0 | 0 | 108 | N17 | T15-N17 PolarHBondContact O-N 3Š|
| 16 | K | 49.4 | Very low | 55.1 | Low | 159 Ų | 159 | 111.4 Ų | 111.4 | 69% | 0.691 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 121.4 | 175.6 | -68.9 | -179.9 | 178.7 | 178.5 | 0 | 106.8 | K14 I18 | K14-K16 PolarHBondContact O-N 2.91Å; K16-I18 PolarHBondContact O-N 3.4Å |
| 17 | N | 58.7 | Low | 57.9 | Low | 116 Ų | 116 | 101.5 Ų | 101.5 | 62% | 0.62 | 55% | 0.55 | S | S | * | * | trans | -58.2 | 111.2 | 171.2 | -76 | 6 | 0 | 0 | 0 | 108 | T15 H19 S20 | T15-N17 PolarHBondContact O-N 3Å; N17-H19 VanDerWaalsContact C-N 3.31Å; N17-H19 PolarHBondContact O-N 3.37Å; N17-S20 WeakPolarHBondContact O-CB 3.34Å; N17-S20 PolarHBondContact O-OG 3.1Å | ||
| 18 | I | 66.4 | Low | 60.7 | Low | 84 Ų | 84 | 99.6 Ų | 99.6 | 43% | 0.431 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -61.2 | -47.6 | -175.7 | -59.6 | 172.9 | 0 | 0 | 0 | 108.3 | K16 S20 H23 | K16-I18 PolarHBondContact O-N 3.4Å; I18-S20 PolarHBondContact O-N 3.16Å; I18-H23 PolarHBondContact O-CD2 3.04Å |
| 19 | H | 74.4 | Confident | 63.7 | Low | 60 Ų | 60 | 92.7 Ų | 92.7 | 28% | 0.278 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -82.3 | 90.3 | 167.2 | -38.5 | -79.8 | 0 | 0 | 0 | 108.6 | N17 E54 W58 | N17-H19 VanDerWaalsContact C-N 3.31Å; N17-H19 PolarHBondContact O-N 3.37Å; H19-E54 PolarHBondContact ND1-O 3.05Å; H19-W58 HydrophobicContact CB-CB 4.07Å; H19-W58 HydrophobicContact CB-CD2 3.43Å; H19-W58 VanDerWaalsContact CB-CD2 3.43Å; H19-W58 HydrophobicContact CB-CE3 3.58Å; H19-W58 HydrophobicContact CB-CG 3.64Å; H19-W58 HydrophobicContact CB-CZ3 4.26Å; H19-W58 AromaticContact CG-CG 3.71Å; H19-W58 AromaticContact ND1-CG 3.98Å |
| 20 | S | 80.9 | Confident | 66.6 | Low | 31 Ų | 31 | 87.4 Ų | 87.4 | 22% | 0.217 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -154.4 | 147.2 | 170.3 | 63.8 | 0 | 0 | 0 | 0 | 112.2 | N17 I18 D22 H23 L24 | N17-S20 WeakPolarHBondContact O-CB 3.34Å; N17-S20 PolarHBondContact O-OG 3.1Å; I18-S20 PolarHBondContact O-N 3.16Å; S20-D22 PolarHBondContact O-N 2.71Å; S20-H23 WeakPolarHBondContact O-CA 3.47Å; S20-H23 WeakPolarHBondContact O-CB 3.34Å; S20-H23 PolarHBondContact O-N 2.9Å; S20-H23 PolarHBondContact OG-N 3.14Å; S20-L24 PolarHBondContact O-N 3.1Å |
| 21 | L | 84.1 | Confident | 69.4 | Low | 40 Ų | 40 | 83.5 Ų | 83.5 | 21% | 0.209 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -56.1 | -33.6 | 177.4 | 176.5 | 60.9 | 0 | 0 | 0 | 112.9 | L24 K25 F69 | L21-L24 PolarHBondContact O-N 3.25Å; L21-K25 WeakPolarHBondContact O-CG 3.39Å; L21-K25 PolarHBondContact O-N 2.79Å; L21-F69 HydrophobicContact CD1-CB 3.52Å; L21-F69 HydrophobicContact CD1-CD1 4.1Å; L21-F69 HydrophobicContact CD1-CD2 4.35Å; L21-F69 HydrophobicContact CD1-CG 3.73Å |
| 22 | D | 83.6 | Confident | 72.4 | Confident | 113 Ų | 113 | 82.7 Ų | 82.7 | 60% | 0.604 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -73.9 | -26.2 | 175.4 | -73.1 | -17.4 | 0 | 0 | 0 | 113.2 | S20 K25 Y26 | S20-D22 PolarHBondContact O-N 2.71Å; D22-K25 WeakPolarHBondContact OD1-CD 3.48Å; D22-K25 IonicContact OD1-NZ 2.71Å; D22-K25 PolarHBondContact OD1-NZ 3.32Å; D22-Y26 PolarHBondContact O-N 3.02Å |
| 23 | H | 85.8 | Confident | 74.8 | Confident | 39 Ų | 39 | 79.9 Ų | 79.9 | 18% | 0.181 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -71.3 | -40.1 | 168.1 | -158.9 | 47.4 | 0 | 0 | 0 | 111.3 | I18 S20 K25 Y26 M27 I55 | I18-H23 PolarHBondContact O-CD2 3.04Å; S20-H23 WeakPolarHBondContact O-CA 3.47Å; S20-H23 WeakPolarHBondContact O-CB 3.34Å; S20-H23 PolarHBondContact O-N 2.9Å; S20-H23 PolarHBondContact OG-N 3.14Å; H23-K25 PolarHBondContact O-N 3.48Å; H23-Y26 WeakPolarHBondContact O-CA 3.45Å; H23-Y26 WeakPolarHBondContact O-CB 3.37Å; H23-Y26 PolarHBondContact O-N 3.47Å; H23-Y26 VanDerWaalsContact O-N 3.08Å; H23-M27 WeakPolarHBondContact O-CG 3.36Å; H23-M27 PolarHBondContact O-N 2.83Å; H23-I55 HydrophobicContact CB-CD1 4.42Å |
| 24 | L | 88.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 174.5 | -175.4 | 59 | 0 | 0 | 0 | 112.5 | S20 L21 Y26 M27 Y28 I52 I55 V66 F69 F70 M75 | S20-L24 PolarHBondContact O-N 3.1Å; L21-L24 PolarHBondContact O-N 3.25Å; L24-Y26 PolarHBondContact O-N 3.48Å; L24-M27 PolarHBondContact O-N 3.42Å; L24-Y28 WeakPolarHBondContact O-CB 3.44Å; L24-Y28 PolarHBondContact O-N 3.23Å; L24-I52 HydrophobicContact CD1-CB 4.46Å; L24-I52 HydrophobicContact CD1-CG1 3.97Å; L24-I52 HydrophobicContact CD1-CG2 4.04Å; L24-I55 HydrophobicContact CB-CG2 4.24Å; L24-V66 HydrophobicContact CD2-CG1 3.81Å; L24-V66 WeakPolarHBondContact CD2-O 3.39Å; L24-F69 HydrophobicContact CD2-CD1 3.83Å; L24-F69 HydrophobicContact CG-CD1 3.96Å; L24-F69 HydrophobicContact CG-CE1 4.23Å; L24-F70 HydrophobicContact CD2-CB 4.38Å; L24-M75 HydrophobicContact CD1-CE 3.68Å; L24-M75 HydrophobicContact CD1-SD 4Å; L24-M75 HydrophobicContact CG-CE 4.44Å; L24-M75 HydrophobicContact CG-SD 4.22Å |
| 25 | K | 88.8 | Confident | 79.4 | Confident | 82 Ų | 82 | 71.3 Ų | 71.3 | 36% | 0.357 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.8 | -37.8 | 171.8 | -71.9 | 167.3 | -163 | 153.9 | 0 | 112.4 | L21 D22 H23 H29 F69 | L21-K25 WeakPolarHBondContact O-CG 3.39Å; L21-K25 PolarHBondContact O-N 2.79Å; D22-K25 WeakPolarHBondContact OD1-CD 3.48Å; D22-K25 IonicContact OD1-NZ 2.71Å; D22-K25 PolarHBondContact OD1-NZ 3.32Å; H23-K25 PolarHBondContact O-N 3.48Å; K25-H29 PolarHBondContact O-N 3.18Å; K25-F69 HydrophobicContact CB-CZ 4.28Å; K25-F69 HydrophobicContact CG-CD2 4.49Å; K25-F69 HydrophobicContact CG-CE1 3.95Å; K25-F69 HydrophobicContact CG-CE2 3.8Å; K25-F69 HydrophobicContact CG-CZ 3.5Å |
| 26 | Y | 89.1 | Confident | 81.7 | Confident | 125 Ų | 125 | 69.2 Ų | 69.2 | 49% | 0.49 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -71.8 | -42.4 | 176.4 | 175 | -111.9 | 0 | 0 | 0 | 112.3 | D22 H23 L24 Y28 H29 I30 | D22-Y26 PolarHBondContact O-N 3.02Å; H23-Y26 WeakPolarHBondContact O-CA 3.45Å; H23-Y26 WeakPolarHBondContact O-CB 3.37Å; H23-Y26 PolarHBondContact O-N 3.47Å; H23-Y26 VanDerWaalsContact O-N 3.08Å; L24-Y26 PolarHBondContact O-N 3.48Å; Y26-Y28 PolarHBondContact O-N 2.95Å; Y26-H29 WeakPolarHBondContact O-CB 3.45Å; Y26-H29 PolarHBondContact O-N 2.83Å; Y26-I30 HydrophobicContact CD1-CD1 4.2Å; Y26-I30 HydrophobicContact CE1-CD1 3.69Å; Y26-I30 HydrophobicContact CE2-CD1 4.41Å; Y26-I30 PolarHBondContact O-N 2.86Å; Y26-I30 VanDerWaalsContact O-N 3.16Å |
| 27 | M | 88.8 | Confident | 83.3 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 5% | 0.054 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 173.1 | -66.8 | -65.7 | 106.4 | 0 | 0 | 111.9 | H23 L24 H29 I30 L31 T48 I52 I55 | H23-M27 WeakPolarHBondContact O-CG 3.36Å; H23-M27 PolarHBondContact O-N 2.83Å; L24-M27 PolarHBondContact O-N 3.42Å; M27-H29 VanDerWaalsContact C-N 3.28Å; M27-H29 PolarHBondContact O-N 3.36Å; M27-I30 HydrophobicContact CE-CD1 3.73Å; M27-I30 WeakPolarHBondContact O-CB 3.29Å; M27-I30 PolarHBondContact O-N 2.93Å; M27-L31 PolarHBondContact O-N 2.97Å; M27-T48 HydrophobicContact CB-CG2 4.12Å; M27-T48 HydrophobicContact SD-CG2 3.79Å; M27-I52 HydrophobicContact CB-CD1 3.93Å; M27-I52 HydrophobicContact CB-CG1 3.63Å; M27-I52 HydrophobicContact CG-CG1 4.05Å; M27-I55 HydrophobicContact CG-CD1 4.37Å |
| 28 | Y | 89.8 | Confident | 84.5 | Confident | 64 Ų | 64 | 60.4 Ų | 60.4 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -55.8 | -40.8 | 174 | 174.1 | -109.8 | 0 | 0 | 0 | 112.6 | L24 Y26 I30 L31 T32 K73 M75 F78 | L24-Y28 WeakPolarHBondContact O-CB 3.44Å; L24-Y28 PolarHBondContact O-N 3.23Å; Y26-Y28 PolarHBondContact O-N 2.95Å; Y28-I30 VanDerWaalsContact C-N 3.33Å; Y28-I30 PolarHBondContact O-N 2.85Å; Y28-L31 PolarHBondContact O-N 3.09Å; Y28-T32 WeakPolarHBondContact O-CB 3.45Å; Y28-T32 PolarHBondContact O-N 2.72Å; Y28-T32 PolarHBondContact O-OG1 2.73Å; Y28-K73 HydrophobicContact CD2-CB 4.11Å; Y28-K73 HydrophobicContact CE1-CG 4.45Å; Y28-K73 HydrophobicContact CE2-CB 3.74Å; Y28-K73 HydrophobicContact CE2-CG 4.44Å; Y28-M75 HydrophobicContact CD2-CE 4.17Å; Y28-M75 HydrophobicContact CD2-CG 3.79Å; Y28-M75 HydrophobicContact CD2-SD 3.98Å; Y28-M75 HydrophobicContact CE2-CG 4.34Å; Y28-M75 HydrophobicContact CG-CE 4.47Å; Y28-M75 HydrophobicContact CG-SD 4.31Å; Y28-F78 HydrophobicContact CD2-CE2 4.41Å; Y28-F78 AromaticContact CE2-CE2 3.86Å; Y28-F78 HydrophobicContact CE2-CE2 3.86Å; Y28-F78 HydrophobicContact CE2-CZ 4.07Å |
| 29 | H | 88.7 | Confident | 85 | Confident | 107 Ų | 107 | 61.9 Ų | 61.9 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.9 | -30.8 | 177.1 | -170 | 62.6 | 0 | 0 | 0 | 113 | K25 Y26 M27 K33 | K25-H29 PolarHBondContact O-N 3.18Å; Y26-H29 WeakPolarHBondContact O-CB 3.45Å; Y26-H29 PolarHBondContact O-N 2.83Å; M27-H29 VanDerWaalsContact C-N 3.28Å; M27-H29 PolarHBondContact O-N 3.36Å; H29-K33 WeakPolarHBondContact O-CB 3.41Å; H29-K33 WeakPolarHBondContact O-CG 3.33Å; H29-K33 PolarHBondContact O-N 3.45Å |
| 30 | I | 87.9 | Confident | 85.4 | Confident | 18 Ų | 18 | 67.8 Ų | 67.8 | 9% | 0.092 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.6 | -48.4 | 173.1 | -66.9 | 166.3 | 0 | 0 | 0 | 110.6 | Y26 M27 Y28 T32 K33 N34 L44 T48 | Y26-I30 HydrophobicContact CD1-CD1 4.2Å; Y26-I30 HydrophobicContact CE1-CD1 3.69Å; Y26-I30 HydrophobicContact CE2-CD1 4.41Å; Y26-I30 PolarHBondContact O-N 2.86Å; Y26-I30 VanDerWaalsContact O-N 3.16Å; M27-I30 HydrophobicContact CE-CD1 3.73Å; M27-I30 WeakPolarHBondContact O-CB 3.29Å; M27-I30 PolarHBondContact O-N 2.93Å; Y28-I30 VanDerWaalsContact C-N 3.33Å; Y28-I30 PolarHBondContact O-N 2.85Å; I30-T32 PolarHBondContact O-N 2.93Å; I30-K33 PolarHBondContact O-N 2.81Å; I30-N34 WeakPolarHBondContact O-CB 3.23Å; I30-N34 PolarHBondContact O-N 2.99Å; I30-N34 PolarHBondContact O-ND2 3.18Å; I30-L44 HydrophobicContact CG2-CD1 4.43Å; I30-L44 HydrophobicContact CG2-CD2 4.15Å; I30-L44 HydrophobicContact CG2-CG 4.13Å; I30-T48 HydrophobicContact CB-CG2 4.33Å; I30-T48 HydrophobicContact CG2-CG2 4.22Å |
| 31 | L | 87.6 | Confident | 85.7 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 177 | -67.3 | -176.9 | 0 | 0 | 0 | 111.9 | M27 Y28 K33 N34 T35 L45 T48 I52 M75 F78 F79 I82 | M27-L31 PolarHBondContact O-N 2.97Å; Y28-L31 PolarHBondContact O-N 3.09Å; L31-K33 PolarHBondContact O-N 2.97Å; L31-N34 CarbonylContact O-C 3.54Å; L31-N34 PolarHBondContact O-N 3.32Å; L31-N34 VanDerWaalsContact O-N 3.09Å; L31-T35 PolarHBondContact O-N 2.81Å; L31-L45 HydrophobicContact CD2-CD2 3.81Å; L31-T48 HydrophobicContact CD2-CG2 3.71Å; L31-T48 HydrophobicContact CG-CG2 3.78Å; L31-I52 HydrophobicContact CD1-CD1 3.46Å; L31-I52 VanDerWaalsContact CD1-CD1 3.46Å; L31-I52 HydrophobicContact CG-CD1 4.2Å; L31-M75 HydrophobicContact CD1-CE 4.42Å; L31-F78 HydrophobicContact CB-CD1 3.82Å; L31-F78 HydrophobicContact CB-CE1 4.23Å; L31-F78 HydrophobicContact CB-CG 4.17Å; L31-F78 HydrophobicContact CD1-CB 3.96Å; L31-F78 HydrophobicContact CD1-CG 4.24Å; L31-F79 HydrophobicContact CD1-CE1 4.36Å; L31-I82 HydrophobicContact CD2-CD1 4.27Å |
| 32 | T | 87.7 | Confident | 85.8 | Confident | 58 Ų | 58 | 69.7 Ų | 69.7 | 36% | 0.356 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.8 | -30 | 177.7 | -56.3 | 0 | 0 | 0 | 0 | 112.5 | Y28 I30 | Y28-T32 WeakPolarHBondContact O-CB 3.45Å; Y28-T32 PolarHBondContact O-N 2.72Å; Y28-T32 PolarHBondContact O-OG1 2.73Å; I30-T32 PolarHBondContact O-N 2.93Å |
| 33 | K | 87.4 | Confident | 86 | Confident | 142 Ų | 142 | 68.9 Ų | 68.9 | 62% | 0.617 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -84.8 | -20.1 | 175.9 | -82 | 174.5 | 161.5 | 170.4 | 0 | 114.5 | H29 I30 L31 | H29-K33 WeakPolarHBondContact O-CB 3.41Å; H29-K33 WeakPolarHBondContact O-CG 3.33Å; H29-K33 PolarHBondContact O-N 3.45Å; I30-K33 PolarHBondContact O-N 2.81Å; L31-K33 PolarHBondContact O-N 2.97Å |
| 34 | N | 83.6 | Confident | 86.2 | Confident | 37 Ų | 37 | 71 Ų | 71 | 20% | 0.198 | 35% | 0.35 | C | S | . | . | trans | -123.9 | 49.9 | -172.2 | -68.3 | -88.1 | 0 | 0 | 0 | 110.9 | I30 L31 T36 N41 L45 | I30-N34 WeakPolarHBondContact O-CB 3.23Å; I30-N34 PolarHBondContact O-N 2.99Å; I30-N34 PolarHBondContact O-ND2 3.18Å; L31-N34 CarbonylContact O-C 3.54Å; L31-N34 PolarHBondContact O-N 3.32Å; L31-N34 VanDerWaalsContact O-N 3.09Å; N34-T36 PolarHBondContact O-N 3.47Å; N34-N41 PolarHBondContact OD1-ND2 3.41Å; N34-L45 HydrophobicContact CB-CD2 3.73Å; N34-L45 HydrophobicContact CB-CG 4.29Å | ||
| 35 | T | 80.4 | Confident | 86.2 | Confident | 78 Ų | 78 | 71 Ų | 71 | 48% | 0.479 | 35% | 0.35 | S | S | . | . | trans | -66.3 | -25.2 | -178.1 | 51.3 | 0 | 0 | 0 | 0 | 113.4 | L31 F78 Q85 | L31-T35 PolarHBondContact O-N 2.81Å; T35-F78 HydrophobicContact CG2-CE1 4.28Å; T35-Q85 PolarHBondContact O-NE2 2.81Å | ||
| 36 | T | 82.6 | Confident | 86.2 | Confident | 89 Ų | 89 | 67.5 Ų | 67.5 | 55% | 0.546 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -102.7 | 133.6 | 175.1 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | N34 N41 Q85 | N34-T36 PolarHBondContact O-N 3.47Å; T36-N41 PolarHBondContact O-ND2 3.27Å; T36-Q85 VanDerWaalsContact CA-OE1 3.27Å |
| 37 | V | 83.4 | Confident | 86.2 | Confident | 26 Ų | 26 | 65.3 Ų | 65.3 | 16% | 0.158 | 33% | 0.33 | C | S | . | . | trans | -82.8 | 135.2 | 178 | -170.8 | 0 | 0 | 0 | 0 | 110.5 | R42 L45 I82 V91 | V37-R42 HydrophobicContact CG1-CB 4.2Å; V37-L45 HydrophobicContact CG2-CD1 4.02Å; V37-I82 HydrophobicContact CG2-CB 4.38Å; V37-I82 HydrophobicContact CG2-CG1 4.33Å; V37-I82 HydrophobicContact CG2-CG2 3.8Å; V37-V91 HydrophobicContact CG1-CG2 4.37Å | ||
| 38 | T | 84 | Confident | 86.3 | Confident | 63 Ų | 63 | 65 Ų | 65 | 39% | 0.387 | 33% | 0.328 | S | S | . | . | trans | -143.2 | 160.1 | 177.5 | 65.7 | 0 | 0 | 0 | 0 | 109.8 | H40 N41 R42 | T38-H40 PolarHBondContact O-N 2.75Å; T38-N41 PolarHBondContact N-OD1 3.44Å; T38-N41 PolarHBondContact O-N 3.07Å; T38-N41 VanDerWaalsContact O-N 3.13Å; T38-N41 PolarHBondContact O-OD1 3.13Å; T38-N41 VanDerWaalsContact O-OD1 3.09Å; T38-N41 VanDerWaalsContact OG1-CG 3.27Å; T38-N41 PolarHBondContact OG1-N 3.41Å; T38-N41 PolarHBondContact OG1-OD1 3.07Å; T38-R42 WeakPolarHBondContact O-CG 3.31Å; T38-R42 PolarHBondContact O-N 3.47Å | ||
| 39 | D | 78.2 | Confident | 86.3 | Confident | 115 Ų | 115 | 62 Ų | 62 | 62% | 0.615 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -20 | 179.2 | -65.2 | -77 | 0 | 0 | 0 | 115 | R42 | D39-R42 WeakPolarHBondContact O-CG 3.48Å; D39-R42 PolarHBondContact O-NE 3.01Å; D39-R42 IonicContact OD1-CZ 3.7Å; D39-R42 IonicContact OD1-NE 3.86Å; D39-R42 IonicContact OD1-NH2 3.83Å |
| 40 | H | 81.9 | Confident | 86.4 | Confident | 185 Ų | 185 | 60 Ų | 60 | 86% | 0.856 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -30.3 | -179.7 | -65.5 | 82.2 | 0 | 0 | 0 | 113.4 | T38 | T38-H40 PolarHBondContact O-N 2.75Š|
| 41 | N | 87 | Confident | 86.5 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -11.2 | -178 | 73.9 | -5.8 | 0 | 0 | 0 | 114.6 | N34 T36 T38 N43 L44 L45 | N34-N41 PolarHBondContact OD1-ND2 3.41Å; T36-N41 PolarHBondContact O-ND2 3.27Å; T38-N41 PolarHBondContact N-OD1 3.44Å; T38-N41 PolarHBondContact O-N 3.07Å; T38-N41 VanDerWaalsContact O-N 3.13Å; T38-N41 PolarHBondContact O-OD1 3.13Å; T38-N41 VanDerWaalsContact O-OD1 3.09Å; T38-N41 VanDerWaalsContact OG1-CG 3.27Å; T38-N41 PolarHBondContact OG1-N 3.41Å; T38-N41 PolarHBondContact OG1-OD1 3.07Å; N41-N43 VanDerWaalsContact C-N 3.32Å; N41-N43 PolarHBondContact O-N 3.33Å; N41-L44 WeakPolarHBondContact O-CB 3.32Å; N41-L44 PolarHBondContact O-N 3.11Å; N41-L44 VanDerWaalsContact O-N 3.07Å; N41-L45 PolarHBondContact O-N 2.93Å |
| 42 | R | 86.1 | Confident | 86.7 | Confident | 94 Ų | 94 | 59.7 Ų | 59.7 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -48 | -45.6 | 177.3 | 51.8 | 175.1 | 173.4 | 162.7 | -5.1 | 114.4 | V37 T38 D39 L45 V46 V91 | V37-R42 HydrophobicContact CG1-CB 4.2Å; T38-R42 WeakPolarHBondContact O-CG 3.31Å; T38-R42 PolarHBondContact O-N 3.47Å; D39-R42 WeakPolarHBondContact O-CG 3.48Å; D39-R42 PolarHBondContact O-NE 3.01Å; D39-R42 IonicContact OD1-CZ 3.7Å; D39-R42 IonicContact OD1-NE 3.86Å; D39-R42 IonicContact OD1-NH2 3.83Å; R42-L45 PolarHBondContact O-N 3.3Å; R42-V46 WeakPolarHBondContact O-CG2 3.47Å; R42-V46 PolarHBondContact O-N 3.23Å; R42-V91 HydrophobicContact CB-CG2 3.71Å |
| 43 | N | 88 | Confident | 86.8 | Confident | 95 Ų | 95 | 57.1 Ų | 57.1 | 51% | 0.508 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.6 | -39.8 | -179.3 | -63.9 | 10.5 | 0 | 0 | 0 | 111.6 | N41 L45 E47 | N41-N43 VanDerWaalsContact C-N 3.32Å; N41-N43 PolarHBondContact O-N 3.33Å; N43-L45 VanDerWaalsContact C-N 3.34Å; N43-E47 WeakPolarHBondContact O-CB 3.32Å; N43-E47 PolarHBondContact O-N 3.46Å |
| 44 | L | 89.5 | Confident | 87 | Confident | 85 Ų | 85 | 53.9 Ų | 53.9 | 45% | 0.445 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | 174.8 | 175.6 | 63.9 | 0 | 0 | 0 | 111.1 | I30 N41 T48 | I30-L44 HydrophobicContact CG2-CD1 4.43Å; I30-L44 HydrophobicContact CG2-CD2 4.15Å; I30-L44 HydrophobicContact CG2-CG 4.13Å; N41-L44 WeakPolarHBondContact O-CB 3.32Å; N41-L44 PolarHBondContact O-N 3.11Å; N41-L44 VanDerWaalsContact O-N 3.07Å; L44-T48 VanDerWaalsContact O-CB 3.24Å; L44-T48 WeakPolarHBondContact O-CB 3.45Å; L44-T48 PolarHBondContact O-N 2.74Å; L44-T48 PolarHBondContact O-OG1 2.84Å |
| 45 | L | 89.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66 | -48.1 | 177.5 | -75.5 | 174.8 | 0 | 0 | 0 | 111.8 | L31 N34 V37 N41 R42 N43 E47 T48 I49 I82 | L31-L45 HydrophobicContact CD2-CD2 3.81Å; N34-L45 HydrophobicContact CB-CD2 3.73Å; N34-L45 HydrophobicContact CB-CG 4.29Å; V37-L45 HydrophobicContact CG2-CD1 4.02Å; N41-L45 PolarHBondContact O-N 2.93Å; R42-L45 PolarHBondContact O-N 3.3Å; N43-L45 VanDerWaalsContact C-N 3.34Å; L45-E47 PolarHBondContact O-N 3.45Å; L45-T48 WeakPolarHBondContact O-CB 3.47Å; L45-T48 PolarHBondContact O-N 3.5Å; L45-I49 WeakPolarHBondContact O-CD1 3.4Å; L45-I49 VanDerWaalsContact O-CG1 3.22Å; L45-I49 WeakPolarHBondContact O-CG1 3.26Å; L45-I49 PolarHBondContact O-N 2.95Å; L45-I82 HydrophobicContact CD1-CD1 4.49Å; L45-I82 HydrophobicContact CD2-CD1 4.13Å |
| 46 | V | 88.8 | Confident | 87.8 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.3 | -49.9 | 174.8 | 165.1 | 0 | 0 | 0 | 0 | 110.9 | R42 T48 I49 R50 Y90 V91 Q94 | R42-V46 WeakPolarHBondContact O-CG2 3.47Å; R42-V46 PolarHBondContact O-N 3.23Å; V46-T48 VanDerWaalsContact C-N 3.31Å; V46-T48 PolarHBondContact O-N 3.31Å; V46-I49 PolarHBondContact O-N 2.85Å; V46-I49 VanDerWaalsContact O-N 3.17Å; V46-R50 WeakPolarHBondContact O-CB 3.21Å; V46-R50 PolarHBondContact O-N 3.41Å; V46-Y90 HydrophobicContact CB-CE1 4.36Å; V46-Y90 HydrophobicContact CG1-CE1 4.49Å; V46-Y90 HydrophobicContact CG2-CD1 4.4Å; V46-Y90 HydrophobicContact CG2-CE1 3.93Å; V46-V91 HydrophobicContact CG2-CB 4.47Å; V46-V91 HydrophobicContact CG2-CG1 4.32Å; V46-V91 HydrophobicContact CG2-CG2 4.23Å; V46-Q94 HydrophobicContact CG1-CB 3.71Å; V46-Q94 HydrophobicContact CG1-CG 3.87Å; V46-Q94 HydrophobicContact CG2-CB 3.99Å; V46-Q94 HydrophobicContact CG2-CG 4.46Å |
| 47 | E | 90.1 | Very high | 88.1 | Confident | 80 Ų | 80 | 45.6 Ų | 45.6 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.2 | -34.6 | 179.9 | -176.6 | 59.7 | -167.9 | 0 | 0 | 112.7 | N43 L45 R50 S51 | N43-E47 WeakPolarHBondContact O-CB 3.32Å; N43-E47 PolarHBondContact O-N 3.46Å; L45-E47 PolarHBondContact O-N 3.45Å; E47-R50 IonicContact OE1-CZ 3.83Å; E47-R50 IonicContact OE1-NE 2.75Å; E47-R50 PolarHBondContact OE1-NE 3.35Å; E47-R50 IonicContact OE1-NH2 3.66Å; E47-R50 PolarHBondContact OE1-NH2 3.2Å; E47-R50 IonicContact OE2-CZ 3.8Å; E47-R50 IonicContact OE2-NE 3.34Å; E47-R50 PolarHBondContact OE2-NE 3.08Å; E47-R50 IonicContact OE2-NH2 3.48Å; E47-S51 VanDerWaalsContact O-CB 3.32Å; E47-S51 WeakPolarHBondContact O-CB 3.19Å; E47-S51 PolarHBondContact O-N 3.27Å; E47-S51 PolarHBondContact O-OG 2.91Å |
| 48 | T | 90.4 | Very high | 88.4 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.9 | -42.5 | 173.2 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | M27 I30 L31 L44 L45 V46 I52 | M27-T48 HydrophobicContact CB-CG2 4.12Å; M27-T48 HydrophobicContact SD-CG2 3.79Å; I30-T48 HydrophobicContact CB-CG2 4.33Å; I30-T48 HydrophobicContact CG2-CG2 4.22Å; L31-T48 HydrophobicContact CD2-CG2 3.71Å; L31-T48 HydrophobicContact CG-CG2 3.78Å; L44-T48 VanDerWaalsContact O-CB 3.24Å; L44-T48 WeakPolarHBondContact O-CB 3.45Å; L44-T48 PolarHBondContact O-N 2.74Å; L44-T48 PolarHBondContact O-OG1 2.84Å; L45-T48 WeakPolarHBondContact O-CB 3.47Å; L45-T48 PolarHBondContact O-N 3.5Å; V46-T48 VanDerWaalsContact C-N 3.31Å; V46-T48 PolarHBondContact O-N 3.31Å; T48-I52 HydrophobicContact CG2-CD1 3.97Å; T48-I52 WeakPolarHBondContact O-CD1 3.47Å; T48-I52 WeakPolarHBondContact O-CG1 3.31Å; T48-I52 PolarHBondContact O-N 3.4Å |
| 49 | I | 89.6 | Confident | 88.5 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.4 | -44.9 | 178.4 | -68.7 | 157.9 | 0 | 0 | 0 | 110.9 | L45 V46 I52 T53 F79 I82 L95 T98 | L45-I49 WeakPolarHBondContact O-CD1 3.4Å; L45-I49 VanDerWaalsContact O-CG1 3.22Å; L45-I49 WeakPolarHBondContact O-CG1 3.26Å; L45-I49 PolarHBondContact O-N 2.95Å; V46-I49 PolarHBondContact O-N 2.85Å; V46-I49 VanDerWaalsContact O-N 3.17Å; I49-I52 PolarHBondContact O-N 3.3Å; I49-T53 PolarHBondContact O-N 3.02Å; I49-T53 PolarHBondContact O-OG1 3.04Å; I49-F79 HydrophobicContact CB-CE1 4.24Å; I49-F79 HydrophobicContact CG1-CD1 3.96Å; I49-F79 HydrophobicContact CG1-CE1 3.8Å; I49-F79 HydrophobicContact CG2-CD1 4.27Å; I49-F79 HydrophobicContact CG2-CE1 3.95Å; I49-F79 HydrophobicContact CG2-CE2 4.3Å; I49-F79 HydrophobicContact CG2-CZ 3.96Å; I49-I82 HydrophobicContact CD1-CD1 3.94Å; I49-L95 HydrophobicContact CD1-CD2 3.97Å; I49-L95 HydrophobicContact CD1-CG 4.24Å; I49-L95 HydrophobicContact CG2-CD2 4.07Å; I49-T98 HydrophobicContact CG2-CG2 3.95Å |
| 50 | R | 90.4 | Very high | 89 | Confident | 63 Ų | 63 | 40.8 Ų | 40.8 | 24% | 0.238 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.9 | -52 | 174 | -165.5 | -168 | 70.8 | 64.5 | 17.1 | 110.8 | V46 E47 I52 T53 E54 | V46-R50 WeakPolarHBondContact O-CB 3.21Å; V46-R50 PolarHBondContact O-N 3.41Å; E47-R50 IonicContact OE1-CZ 3.83Å; E47-R50 IonicContact OE1-NE 2.75Å; E47-R50 PolarHBondContact OE1-NE 3.35Å; E47-R50 IonicContact OE1-NH2 3.66Å; E47-R50 PolarHBondContact OE1-NH2 3.2Å; E47-R50 IonicContact OE2-CZ 3.8Å; E47-R50 IonicContact OE2-NE 3.34Å; E47-R50 PolarHBondContact OE2-NE 3.08Å; E47-R50 IonicContact OE2-NH2 3.48Å; R50-I52 PolarHBondContact O-N 3Å; R50-T53 PolarHBondContact O-N 3.44Å; R50-T53 VanDerWaalsContact O-N 3.1Å; R50-E54 IonicContact CZ-OE1 3.5Å; R50-E54 IonicContact CZ-OE2 3.32Å; R50-E54 IonicContact NH1-OE1 3.7Å; R50-E54 PolarHBondContact NH1-OE1 3.11Å; R50-E54 IonicContact NH1-OE2 3.12Å; R50-E54 PolarHBondContact NH1-OE2 2.99Å; R50-E54 IonicContact NH2-OE2 2.87Å; R50-E54 PolarHBondContact NH2-OE2 2.81Å; R50-E54 PolarHBondContact O-N 2.65Å |
| 51 | S | 91 | Very high | 89.2 | Confident | 13 Ų | 13 | 37.4 Ų | 37.4 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60 | -41.8 | 177.3 | -56.1 | 0 | 0 | 0 | 0 | 112.6 | E47 T53 E54 I55 | E47-S51 VanDerWaalsContact O-CB 3.32Å; E47-S51 WeakPolarHBondContact O-CB 3.19Å; E47-S51 PolarHBondContact O-N 3.27Å; E47-S51 PolarHBondContact O-OG 2.91Å; S51-T53 VanDerWaalsContact C-N 3.29Å; S51-T53 PolarHBondContact O-N 3.34Å; S51-E54 PolarHBondContact O-N 2.72Å; S51-I55 VanDerWaalsContact O-CD1 3.32Å; S51-I55 WeakPolarHBondContact O-CD1 3.38Å; S51-I55 WeakPolarHBondContact O-CG1 3.19Å; S51-I55 PolarHBondContact O-N 3.17Å |
| 52 | I | 91.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.6 | -41.1 | 175.4 | -71.3 | 161.6 | 0 | 0 | 0 | 110.8 | L24 M27 L31 T48 I49 R50 I55 L56 F70 M75 F79 | L24-I52 HydrophobicContact CD1-CB 4.46Å; L24-I52 HydrophobicContact CD1-CG1 3.97Å; L24-I52 HydrophobicContact CD1-CG2 4.04Å; M27-I52 HydrophobicContact CB-CD1 3.93Å; M27-I52 HydrophobicContact CB-CG1 3.63Å; M27-I52 HydrophobicContact CG-CG1 4.05Å; L31-I52 HydrophobicContact CD1-CD1 3.46Å; L31-I52 VanDerWaalsContact CD1-CD1 3.46Å; L31-I52 HydrophobicContact CG-CD1 4.2Å; T48-I52 HydrophobicContact CG2-CD1 3.97Å; T48-I52 WeakPolarHBondContact O-CD1 3.47Å; T48-I52 WeakPolarHBondContact O-CG1 3.31Å; T48-I52 PolarHBondContact O-N 3.4Å; I49-I52 PolarHBondContact O-N 3.3Å; R50-I52 PolarHBondContact O-N 3Å; I52-I55 PolarHBondContact O-N 2.89Å; I52-L56 HydrophobicContact CG2-CD1 4.07Å; I52-L56 HydrophobicContact CG2-CG 4.36Å; I52-L56 WeakPolarHBondContact O-CG 3.49Å; I52-L56 PolarHBondContact O-N 3.03Å; I52-F70 HydrophobicContact CG2-CD2 4.13Å; I52-F70 HydrophobicContact CG2-CE2 3.84Å; I52-M75 HydrophobicContact CD1-CE 3.78Å; I52-M75 HydrophobicContact CG1-CE 4.25Å; I52-F79 HydrophobicContact CB-CZ 4.3Å; I52-F79 HydrophobicContact CD1-CE1 4.28Å; I52-F79 HydrophobicContact CG2-CZ 3.88Å |
| 53 | T | 90.6 | Very high | 89.1 | Confident | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.4 | -39.3 | 179.1 | -69.3 | 0 | 0 | 0 | 0 | 112.6 | I49 R50 S51 I55 L56 I57 T98 L102 | I49-T53 PolarHBondContact O-N 3.02Å; I49-T53 PolarHBondContact O-OG1 3.04Å; R50-T53 PolarHBondContact O-N 3.44Å; R50-T53 VanDerWaalsContact O-N 3.1Å; S51-T53 VanDerWaalsContact C-N 3.29Å; S51-T53 PolarHBondContact O-N 3.34Å; T53-I55 VanDerWaalsContact C-N 3.3Å; T53-I55 PolarHBondContact O-N 2.83Å; T53-L56 PolarHBondContact O-N 2.95Å; T53-I57 HydrophobicContact CG2-CD1 3.7Å; T53-I57 HydrophobicContact CG2-CG1 4.33Å; T53-I57 WeakPolarHBondContact O-CG1 3.47Å; T53-I57 PolarHBondContact O-N 2.73Å; T53-T98 VanDerWaalsContact CB-CG2 3.47Å; T53-T98 HydrophobicContact CG2-CG2 3.79Å; T53-T98 WeakPolarHBondContact OG1-CG2 3.42Å; T53-L102 HydrophobicContact CG2-CB 3.82Å; T53-L102 HydrophobicContact CG2-CD1 4.12Å; T53-L102 HydrophobicContact CG2-CG 4.49Å |
| 54 | E | 90.9 | Very high | 88.9 | Confident | 74 Ų | 74 | 38.7 Ų | 38.7 | 35% | 0.346 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.5 | -35.3 | 172 | -69.1 | -179.8 | 142.5 | 0 | 0 | 112.6 | H19 R50 S51 W58 | H19-E54 PolarHBondContact ND1-O 3.05Å; R50-E54 IonicContact CZ-OE1 3.5Å; R50-E54 IonicContact CZ-OE2 3.32Å; R50-E54 IonicContact NH1-OE1 3.7Å; R50-E54 PolarHBondContact NH1-OE1 3.11Å; R50-E54 IonicContact NH1-OE2 3.12Å; R50-E54 PolarHBondContact NH1-OE2 2.99Å; R50-E54 IonicContact NH2-OE2 2.87Å; R50-E54 PolarHBondContact NH2-OE2 2.81Å; R50-E54 PolarHBondContact O-N 2.65Å; S51-E54 PolarHBondContact O-N 2.72Å; E54-W58 WeakPolarHBondContact O-CB 3.36Å; E54-W58 PolarHBondContact O-N 3.11Å |
| 55 | I | 90.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.8 | -38 | 173.9 | -63.2 | 159.9 | 0 | 0 | 0 | 110.8 | H23 L24 M27 S51 I52 T53 G59 V66 | H23-I55 HydrophobicContact CB-CD1 4.42Å; L24-I55 HydrophobicContact CB-CG2 4.24Å; M27-I55 HydrophobicContact CG-CD1 4.37Å; S51-I55 VanDerWaalsContact O-CD1 3.32Å; S51-I55 WeakPolarHBondContact O-CD1 3.38Å; S51-I55 WeakPolarHBondContact O-CG1 3.19Å; S51-I55 PolarHBondContact O-N 3.17Å; I52-I55 PolarHBondContact O-N 2.89Å; T53-I55 VanDerWaalsContact C-N 3.3Å; T53-I55 PolarHBondContact O-N 2.83Å; I55-G59 WeakPolarHBondContact O-CA 3.46Å; I55-G59 PolarHBondContact O-N 2.9Å; I55-V66 HydrophobicContact CG2-CG1 3.62Å |
| 56 | L | 90.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.8 | -48 | 176.3 | -74.8 | 172 | 0 | 0 | 0 | 112.5 | I52 T53 W58 G59 D60 V66 F67 F70 L102 | I52-L56 HydrophobicContact CG2-CD1 4.07Å; I52-L56 HydrophobicContact CG2-CG 4.36Å; I52-L56 WeakPolarHBondContact O-CG 3.49Å; I52-L56 PolarHBondContact O-N 3.03Å; T53-L56 PolarHBondContact O-N 2.95Å; L56-W58 VanDerWaalsContact C-N 3.31Å; L56-W58 PolarHBondContact O-N 2.79Å; L56-G59 CarbonylContact O-C 3.59Å; L56-G59 PolarHBondContact O-N 3.15Å; L56-G59 VanDerWaalsContact O-N 3.13Å; L56-D60 PolarHBondContact O-N 3.01Å; L56-V66 HydrophobicContact CD2-CG1 4.47Å; L56-F67 HydrophobicContact CB-CE2 4.44Å; L56-F67 HydrophobicContact CB-CZ 4.32Å; L56-F67 HydrophobicContact CD2-CD1 4.27Å; L56-F67 HydrophobicContact CD2-CD2 4.3Å; L56-F67 HydrophobicContact CD2-CE1 4.08Å; L56-F67 HydrophobicContact CD2-CE2 4.11Å; L56-F67 HydrophobicContact CD2-CG 4.38Å; L56-F67 HydrophobicContact CD2-CZ 4Å; L56-F67 VanDerWaalsContact O-CE2 3.3Å; L56-F67 WeakPolarHBondContact O-CE2 3.39Å; L56-F70 HydrophobicContact CD1-CD2 3.94Å; L56-F70 HydrophobicContact CD1-CE1 4.41Å; L56-F70 HydrophobicContact CD1-CE2 3.7Å; L56-F70 HydrophobicContact CD1-CG 4.43Å; L56-F70 HydrophobicContact CD1-CZ 3.95Å; L56-F70 HydrophobicContact CD2-CB 3.99Å; L56-F70 HydrophobicContact CD2-CD1 4.27Å; L56-F70 HydrophobicContact CD2-CD2 3.9Å; L56-F70 HydrophobicContact CD2-CE2 4.48Å; L56-F70 HydrophobicContact CD2-CG 3.8Å; L56-F70 HydrophobicContact CG-CD2 4.28Å; L56-L102 HydrophobicContact CB-CD1 3.82Å; L56-L102 HydrophobicContact CD1-CD1 3.98Å; L56-L102 HydrophobicContact CD1-CD2 4.2Å |
| 57 | I | 89.9 | Confident | 88.5 | Confident | 30 Ų | 30 | 36.4 Ų | 36.4 | 15% | 0.154 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62 | -42 | -179.9 | -66.3 | 164.6 | 0 | 0 | 0 | 110.3 | T53 I101 L102 N105 | T53-I57 HydrophobicContact CG2-CD1 3.7Å; T53-I57 HydrophobicContact CG2-CG1 4.33Å; T53-I57 WeakPolarHBondContact O-CG1 3.47Å; T53-I57 PolarHBondContact O-N 2.73Å; I57-I101 HydrophobicContact CD1-CG2 3.87Å; I57-L102 HydrophobicContact CG1-CD1 4.1Å; I57-N105 HydrophobicContact CD1-CB 4.06Å; I57-N105 HydrophobicContact CG1-CB 4.17Å; I57-N105 HydrophobicContact CG2-CB 3.85Å |
| 58 | W | 89.2 | Confident | 88.3 | Confident | 91 Ų | 91 | 37.1 Ų | 37.1 | 35% | 0.345 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.3 | -43.8 | 172.6 | -175.5 | 86.2 | 0 | 0 | 0 | 112 | H19 E54 L56 D60 Q61 N62 D63 | H19-W58 HydrophobicContact CB-CB 4.07Å; H19-W58 HydrophobicContact CB-CD2 3.43Å; H19-W58 VanDerWaalsContact CB-CD2 3.43Å; H19-W58 HydrophobicContact CB-CE3 3.58Å; H19-W58 HydrophobicContact CB-CG 3.64Å; H19-W58 HydrophobicContact CB-CZ3 4.26Å; H19-W58 AromaticContact CG-CG 3.71Å; H19-W58 AromaticContact ND1-CG 3.98Å; E54-W58 WeakPolarHBondContact O-CB 3.36Å; E54-W58 PolarHBondContact O-N 3.11Å; L56-W58 VanDerWaalsContact C-N 3.31Å; L56-W58 PolarHBondContact O-N 2.79Å; W58-D60 VanDerWaalsContact C-N 3.33Å; W58-D60 PolarHBondContact O-N 2.86Å; W58-Q61 PolarHBondContact O-N 3.48Å; W58-N62 HydrophobicContact CD2-CB 3.88Å; W58-N62 HydrophobicContact CE3-CB 4.02Å; W58-N62 HydrophobicContact CH2-CB 3.66Å; W58-N62 HydrophobicContact CZ2-CB 3.49Å; W58-N62 VanDerWaalsContact CZ2-CB 3.49Å; W58-N62 HydrophobicContact CZ3-CB 3.92Å; W58-N62 WeakPolarHBondContact O-CB 3.41Å; W58-N62 PolarHBondContact O-N 3.02Å; W58-N62 PolarHBondContact O-ND2 2.92Å; W58-D63 HydrophobicContact CH2-CB 4.38Å; W58-D63 HydrophobicContact CZ3-CB 3.84Å |
| 59 | G | 86.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.6 | -34.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I55 L56 Q61 N62 D63 | I55-G59 WeakPolarHBondContact O-CA 3.46Å; I55-G59 PolarHBondContact O-N 2.9Å; L56-G59 CarbonylContact O-C 3.59Å; L56-G59 PolarHBondContact O-N 3.15Å; L56-G59 VanDerWaalsContact O-N 3.13Å; G59-Q61 PolarHBondContact O-N 2.9Å; G59-N62 PolarHBondContact O-N 3.18Å; G59-D63 CarbonylContact O-C 3.6Å; G59-D63 PolarHBondContact O-N 3.1Å; G59-D63 VanDerWaalsContact O-O 3.1Å |
| 60 | D | 88.4 | Confident | 88.2 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 7% | 0.07 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -52.3 | -46.8 | 175.7 | -168.2 | 54.4 | 0 | 0 | 0 | 110.9 | L56 W58 F67 S107 H108 S111 | L56-D60 PolarHBondContact O-N 3.01Å; W58-D60 VanDerWaalsContact C-N 3.33Å; W58-D60 PolarHBondContact O-N 2.86Å; D60-F67 HydrophobicContact CB-CE2 3.8Å; D60-F67 HydrophobicContact CB-CZ 4.46Å; D60-S107 WeakPolarHBondContact OD2-CA 3.42Å; D60-S107 PolarHBondContact OD2-N 3.35Å; D60-S107 PolarHBondContact OD2-OG 2.9Å; D60-H108 PolarHBondContact O-CD2 2.8Å; D60-H108 IonicContact OD1-CD2 3.08Å; D60-H108 IonicContact OD2-CD2 2.83Å; D60-H108 PolarHBondContact OD2-N 2.76Å; D60-H108 VanDerWaalsContact OD2-N 3.12Å; D60-S111 WeakPolarHBondContact OD1-CB 3.26Å; D60-S111 PolarHBondContact OD1-OG 2.83Å |
| 61 | Q | 86.1 | Confident | 87.9 | Confident | 114 Ų | 114 | 37.3 Ų | 37.3 | 53% | 0.533 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -92.9 | -17.8 | -172.8 | -62.7 | 170.2 | 5.5 | 0 | 0 | 113.7 | W58 G59 | W58-Q61 PolarHBondContact O-N 3.48Å; G59-Q61 PolarHBondContact O-N 2.9Å |
| 62 | N | 86.1 | Confident | 87.7 | Confident | 94 Ų | 94 | 42.9 Ų | 42.9 | 50% | 0.503 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -128.3 | -28.9 | -167.4 | -63.1 | -98 | 0 | 0 | 0 | 115.7 | W58 G59 | W58-N62 HydrophobicContact CD2-CB 3.88Å; W58-N62 HydrophobicContact CE3-CB 4.02Å; W58-N62 HydrophobicContact CH2-CB 3.66Å; W58-N62 HydrophobicContact CZ2-CB 3.49Å; W58-N62 VanDerWaalsContact CZ2-CB 3.49Å; W58-N62 HydrophobicContact CZ3-CB 3.92Å; W58-N62 WeakPolarHBondContact O-CB 3.41Å; W58-N62 PolarHBondContact O-N 3.02Å; W58-N62 PolarHBondContact O-ND2 2.92Å; G59-N62 PolarHBondContact O-N 3.18Å |
| 63 | D | 85.3 | Confident | 87.6 | Confident | 51 Ų | 51 | 45.9 Ų | 45.9 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | trans | -157.1 | 96 | -173.4 | -178.7 | 1.8 | 0 | 0 | 0 | 111.8 | W58 G59 S65 V66 | W58-D63 HydrophobicContact CH2-CB 4.38Å; W58-D63 HydrophobicContact CZ3-CB 3.84Å; G59-D63 CarbonylContact O-C 3.6Å; G59-D63 PolarHBondContact O-N 3.1Å; G59-D63 VanDerWaalsContact O-O 3.1Å; D63-S65 VanDerWaalsContact CG-OG 3.29Å; D63-S65 PolarHBondContact O-N 3.04Å; D63-S65 VanDerWaalsContact O-N 3.12Å; D63-S65 VanDerWaalsContact OD1-CB 3.25Å; D63-S65 WeakPolarHBondContact OD1-CB 3.5Å; D63-S65 PolarHBondContact OD1-N 2.77Å; D63-S65 PolarHBondContact OD1-OG 2.91Å; D63-S65 PolarHBondContact OD2-OG 3.39Å; D63-V66 HydrophobicContact CB-CG2 3.98Å; D63-V66 VanDerWaalsContact O-CB 3.28Å; D63-V66 WeakPolarHBondContact O-CB 3.4Å; D63-V66 WeakPolarHBondContact O-CG2 3.38Å; D63-V66 PolarHBondContact O-N 3.35Å; D63-V66 VanDerWaalsContact O-N 3.14Å | ||
| 64 | S | 83.7 | Confident | 87.3 | Confident | 87 Ų | 87 | 48.8 Ų | 48.8 | 61% | 0.608 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.3 | -23.4 | 179.7 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | V66 F67 D68 | S64-V66 PolarHBondContact O-N 3.16Å; S64-F67 PolarHBondContact O-N 3.42Å; S64-D68 PolarHBondContact O-N 3.48Å |
| 65 | S | 86.3 | Confident | 87.2 | Confident | 39 Ų | 39 | 45.3 Ų | 45.3 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.3 | -19.9 | -179.9 | 79.2 | 0 | 0 | 0 | 0 | 112.8 | D63 F69 | D63-S65 VanDerWaalsContact CG-OG 3.29Å; D63-S65 PolarHBondContact O-N 3.04Å; D63-S65 VanDerWaalsContact O-N 3.12Å; D63-S65 VanDerWaalsContact OD1-CB 3.25Å; D63-S65 WeakPolarHBondContact OD1-CB 3.5Å; D63-S65 PolarHBondContact OD1-N 2.77Å; D63-S65 PolarHBondContact OD1-OG 2.91Å; D63-S65 PolarHBondContact OD2-OG 3.39Å; S65-F69 WeakPolarHBondContact O-CB 3.06Å; S65-F69 PolarHBondContact O-N 3.32Å; S65-F69 VanDerWaalsContact O-N 3.1Å |
| 66 | V | 86.6 | Confident | 87 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.4 | -46.3 | 169.8 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | L24 I55 L56 D63 S64 F70 | L24-V66 HydrophobicContact CD2-CG1 3.81Å; L24-V66 WeakPolarHBondContact CD2-O 3.39Å; I55-V66 HydrophobicContact CG2-CG1 3.62Å; L56-V66 HydrophobicContact CD2-CG1 4.47Å; D63-V66 HydrophobicContact CB-CG2 3.98Å; D63-V66 VanDerWaalsContact O-CB 3.28Å; D63-V66 WeakPolarHBondContact O-CB 3.4Å; D63-V66 WeakPolarHBondContact O-CG2 3.38Å; D63-V66 PolarHBondContact O-N 3.35Å; D63-V66 VanDerWaalsContact O-N 3.14Å; S64-V66 PolarHBondContact O-N 3.16Å; V66-F70 WeakPolarHBondContact O-CB 3.25Å; V66-F70 PolarHBondContact O-N 3.29Å; V66-F70 VanDerWaalsContact O-N 3.08Å |
| 67 | F | 85.8 | Confident | 86.9 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.1 | -44.7 | 176.1 | -94.6 | -88.2 | 0 | 0 | 0 | 111.7 | L56 D60 S64 F69 F70 L71 I106 L115 | L56-F67 HydrophobicContact CB-CE2 4.44Å; L56-F67 HydrophobicContact CB-CZ 4.32Å; L56-F67 HydrophobicContact CD2-CD1 4.27Å; L56-F67 HydrophobicContact CD2-CD2 4.3Å; L56-F67 HydrophobicContact CD2-CE1 4.08Å; L56-F67 HydrophobicContact CD2-CE2 4.11Å; L56-F67 HydrophobicContact CD2-CG 4.38Å; L56-F67 HydrophobicContact CD2-CZ 4Å; L56-F67 VanDerWaalsContact O-CE2 3.3Å; L56-F67 WeakPolarHBondContact O-CE2 3.39Å; D60-F67 HydrophobicContact CB-CE2 3.8Å; D60-F67 HydrophobicContact CB-CZ 4.46Å; S64-F67 PolarHBondContact O-N 3.42Å; F67-F69 VanDerWaalsContact C-N 3.29Å; F67-F69 PolarHBondContact O-N 3.46Å; F67-F70 PolarHBondContact O-N 3.47Å; F67-F70 VanDerWaalsContact O-N 3.13Å; F67-L71 WeakPolarHBondContact O-CB 3.33Å; F67-L71 VanDerWaalsContact O-CG 3.25Å; F67-L71 WeakPolarHBondContact O-CG 3.32Å; F67-L71 PolarHBondContact O-N 3.43Å; F67-I106 HydrophobicContact CZ-CD1 4.11Å; F67-I106 HydrophobicContact CZ-CG1 4.46Å; F67-L115 HydrophobicContact CE1-CD1 4.33Å; F67-L115 HydrophobicContact CE1-CD2 4.34Å; F67-L115 HydrophobicContact CE1-CG 4.22Å |
| 68 | D | 85.5 | Confident | 86.7 | Confident | 94 Ų | 94 | 47.7 Ų | 47.7 | 50% | 0.503 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -53.2 | -48 | 177 | -67.9 | -36.8 | 0 | 0 | 0 | 111 | S64 L71 E72 | S64-D68 PolarHBondContact O-N 3.48Å; D68-L71 PolarHBondContact O-N 3.03Å; D68-E72 VanDerWaalsContact O-CB 3.23Å; D68-E72 WeakPolarHBondContact O-CB 3.36Å; D68-E72 PolarHBondContact O-N 3.47Å |
| 69 | F | 88.8 | Confident | 86.7 | Confident | 27 Ų | 27 | 43.4 Ų | 43.4 | 12% | 0.118 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.1 | -41 | 177.5 | -179.3 | -93.5 | 0 | 0 | 0 | 113.3 | L21 L24 K25 S65 F67 L71 E72 K73 M75 | L21-F69 HydrophobicContact CD1-CB 3.52Å; L21-F69 HydrophobicContact CD1-CD1 4.1Å; L21-F69 HydrophobicContact CD1-CD2 4.35Å; L21-F69 HydrophobicContact CD1-CG 3.73Å; L24-F69 HydrophobicContact CD2-CD1 3.83Å; L24-F69 HydrophobicContact CG-CD1 3.96Å; L24-F69 HydrophobicContact CG-CE1 4.23Å; K25-F69 HydrophobicContact CB-CZ 4.28Å; K25-F69 HydrophobicContact CG-CD2 4.49Å; K25-F69 HydrophobicContact CG-CE1 3.95Å; K25-F69 HydrophobicContact CG-CE2 3.8Å; K25-F69 HydrophobicContact CG-CZ 3.5Å; S65-F69 WeakPolarHBondContact O-CB 3.06Å; S65-F69 PolarHBondContact O-N 3.32Å; S65-F69 VanDerWaalsContact O-N 3.1Å; F67-F69 VanDerWaalsContact C-N 3.29Å; F67-F69 PolarHBondContact O-N 3.46Å; F69-L71 VanDerWaalsContact C-N 3.27Å; F69-L71 PolarHBondContact O-N 3.39Å; F69-E72 PolarHBondContact O-N 3.09Å; F69-K73 HydrophobicContact CD1-CG 4.44Å; F69-K73 HydrophobicContact CD2-CG 4.23Å; F69-K73 HydrophobicContact CE1-CG 4Å; F69-K73 HydrophobicContact CE2-CD 4.27Å; F69-K73 VanDerWaalsContact CE2-CE 3.41Å; F69-K73 HydrophobicContact CE2-CG 3.78Å; F69-K73 HydrophobicContact CZ-CD 4.47Å; F69-K73 HydrophobicContact CZ-CG 3.63Å; F69-K73 WeakPolarHBondContact O-CG 3.43Å; F69-K73 PolarHBondContact O-N 3.49Å; F69-M75 HydrophobicContact CD1-SD 4.32Å; F69-M75 HydrophobicContact CE1-SD 4.08Å |
| 70 | F | 88.6 | Confident | 86.6 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.5 | -40 | 177.3 | 179 | -90.5 | 0 | 0 | 0 | 111.8 | L24 I52 L56 V66 F67 N74 M75 F76 L115 | L24-F70 HydrophobicContact CD2-CB 4.38Å; I52-F70 HydrophobicContact CG2-CD2 4.13Å; I52-F70 HydrophobicContact CG2-CE2 3.84Å; L56-F70 HydrophobicContact CD1-CD2 3.94Å; L56-F70 HydrophobicContact CD1-CE1 4.41Å; L56-F70 HydrophobicContact CD1-CE2 3.7Å; L56-F70 HydrophobicContact CD1-CG 4.43Å; L56-F70 HydrophobicContact CD1-CZ 3.95Å; L56-F70 HydrophobicContact CD2-CB 3.99Å; L56-F70 HydrophobicContact CD2-CD1 4.27Å; L56-F70 HydrophobicContact CD2-CD2 3.9Å; L56-F70 HydrophobicContact CD2-CE2 4.48Å; L56-F70 HydrophobicContact CD2-CG 3.8Å; L56-F70 HydrophobicContact CG-CD2 4.28Å; V66-F70 WeakPolarHBondContact O-CB 3.25Å; V66-F70 PolarHBondContact O-N 3.29Å; V66-F70 VanDerWaalsContact O-N 3.08Å; F67-F70 PolarHBondContact O-N 3.47Å; F67-F70 VanDerWaalsContact O-N 3.13Å; F70-N74 PolarHBondContact O-N 3.4Å; F70-M75 HydrophobicContact CD2-CB 3.46Å; F70-M75 VanDerWaalsContact CD2-CB 3.46Å; F70-M75 HydrophobicContact CD2-CE 4.41Å; F70-M75 HydrophobicContact CD2-CG 4.13Å; F70-M75 HydrophobicContact CD2-SD 3.99Å; F70-M75 HydrophobicContact CE2-CB 3.43Å; F70-M75 VanDerWaalsContact CE2-CB 3.43Å; F70-M75 HydrophobicContact CG-CB 4.06Å; F70-M75 HydrophobicContact CZ-CB 4.03Å; F70-M75 PolarHBondContact O-N 3.12Å; F70-F76 HydrophobicContact CE1-CB 3.9Å; F70-F76 HydrophobicContact CE1-CD2 4.09Å; F70-F76 HydrophobicContact CZ-CB 3.83Å; F70-F76 AromaticContact CZ-CD2 3.95Å; F70-F76 HydrophobicContact CZ-CD2 3.95Å; F70-F76 HydrophobicContact CZ-CG 4.37Å; F70-L115 HydrophobicContact CD1-CD2 4.4Å; F70-L115 HydrophobicContact CE1-CD2 3.8Å |
| 71 | L | 84 | Confident | 86.5 | Confident | 44 Ų | 44 | 46.6 Ų | 46.6 | 23% | 0.23 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -74.4 | -45.2 | 177.2 | -64.3 | 166.5 | 0 | 0 | 0 | 111.7 | F67 D68 F69 K73 N74 Y114 | F67-L71 WeakPolarHBondContact O-CB 3.33Å; F67-L71 VanDerWaalsContact O-CG 3.25Å; F67-L71 WeakPolarHBondContact O-CG 3.32Å; F67-L71 PolarHBondContact O-N 3.43Å; D68-L71 PolarHBondContact O-N 3.03Å; F69-L71 VanDerWaalsContact C-N 3.27Å; F69-L71 PolarHBondContact O-N 3.39Å; L71-K73 PolarHBondContact O-N 3.27Å; L71-N74 WeakPolarHBondContact O-CA 3.44Å; L71-N74 PolarHBondContact O-N 2.95Å; L71-Y114 HydrophobicContact CD1-CD1 4.31Å; L71-Y114 HydrophobicContact CD1-CD2 3.88Å; L71-Y114 HydrophobicContact CD1-CG 3.71Å |
| 72 | E | 87.3 | Confident | 86.5 | Confident | 131 Ų | 131 | 41.3 Ų | 41.3 | 61% | 0.612 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -60.2 | -31.6 | 178.7 | -162.4 | -118.6 | 139 | 0 | 0 | 112.4 | D68 F69 | D68-E72 VanDerWaalsContact O-CB 3.23Å; D68-E72 WeakPolarHBondContact O-CB 3.36Å; D68-E72 PolarHBondContact O-N 3.47Å; F69-E72 PolarHBondContact O-N 3.09Å |
| 73 | K | 87.9 | Confident | 86.5 | Confident | 63 Ų | 63 | 37 Ų | 37 | 27% | 0.274 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 6.2 | 173 | -50.9 | -48.9 | 173.9 | -163.2 | 0 | 114.2 | Y28 F69 L71 M75 | Y28-K73 HydrophobicContact CD2-CB 4.11Å; Y28-K73 HydrophobicContact CE1-CG 4.45Å; Y28-K73 HydrophobicContact CE2-CB 3.74Å; Y28-K73 HydrophobicContact CE2-CG 4.44Å; F69-K73 HydrophobicContact CD1-CG 4.44Å; F69-K73 HydrophobicContact CD2-CG 4.23Å; F69-K73 HydrophobicContact CE1-CG 4Å; F69-K73 HydrophobicContact CE2-CD 4.27Å; F69-K73 VanDerWaalsContact CE2-CE 3.41Å; F69-K73 HydrophobicContact CE2-CG 3.78Å; F69-K73 HydrophobicContact CZ-CD 4.47Å; F69-K73 HydrophobicContact CZ-CG 3.63Å; F69-K73 WeakPolarHBondContact O-CG 3.43Å; F69-K73 PolarHBondContact O-N 3.49Å; L71-K73 PolarHBondContact O-N 3.27Å; K73-M75 HydrophobicContact CB-CG 3.86Å; K73-M75 PolarHBondContact O-N 3.21Å; K73-M75 VanDerWaalsContact O-N 3.16Å |
| 74 | N | 85.3 | Confident | 86.4 | Confident | 65 Ų | 65 | 41.5 Ų | 41.5 | 35% | 0.348 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | 43.1 | 179.8 | -160.7 | -1.8 | 0 | 0 | 0 | 113.1 | F70 L71 F76 V77 H120 | F70-N74 PolarHBondContact O-N 3.4Å; L71-N74 WeakPolarHBondContact O-CA 3.44Å; L71-N74 PolarHBondContact O-N 2.95Å; N74-F76 PolarHBondContact O-N 3.02Å; N74-F76 VanDerWaalsContact O-N 3.11Å; N74-V77 WeakPolarHBondContact O-CB 3.46Å; N74-V77 PolarHBondContact O-N 3.32Å; N74-V77 WeakPolarHBondContact OD1-CG2 3.36Å; N74-H120 PolarHBondContact OD1-NE2 2.96Å |
| 75 | M | 89.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25 | -165.2 | -69.2 | -172.2 | 56.4 | 0 | 0 | 113.4 | L24 Y28 L31 I52 F69 F70 K73 V77 F78 | L24-M75 HydrophobicContact CD1-CE 3.68Å; L24-M75 HydrophobicContact CD1-SD 4Å; L24-M75 HydrophobicContact CG-CE 4.44Å; L24-M75 HydrophobicContact CG-SD 4.22Å; Y28-M75 HydrophobicContact CD2-CE 4.17Å; Y28-M75 HydrophobicContact CD2-CG 3.79Å; Y28-M75 HydrophobicContact CD2-SD 3.98Å; Y28-M75 HydrophobicContact CE2-CG 4.34Å; Y28-M75 HydrophobicContact CG-CE 4.47Å; Y28-M75 HydrophobicContact CG-SD 4.31Å; L31-M75 HydrophobicContact CD1-CE 4.42Å; I52-M75 HydrophobicContact CD1-CE 3.78Å; I52-M75 HydrophobicContact CG1-CE 4.25Å; F69-M75 HydrophobicContact CD1-SD 4.32Å; F69-M75 HydrophobicContact CE1-SD 4.08Å; F70-M75 HydrophobicContact CD2-CB 3.46Å; F70-M75 VanDerWaalsContact CD2-CB 3.46Å; F70-M75 HydrophobicContact CD2-CE 4.41Å; F70-M75 HydrophobicContact CD2-CG 4.13Å; F70-M75 HydrophobicContact CD2-SD 3.99Å; F70-M75 HydrophobicContact CE2-CB 3.43Å; F70-M75 VanDerWaalsContact CE2-CB 3.43Å; F70-M75 HydrophobicContact CG-CB 4.06Å; F70-M75 HydrophobicContact CZ-CB 4.03Å; F70-M75 PolarHBondContact O-N 3.12Å; K73-M75 HydrophobicContact CB-CG 3.86Å; K73-M75 PolarHBondContact O-N 3.21Å; K73-M75 VanDerWaalsContact O-N 3.16Å; M75-V77 PolarHBondContact O-N 3.09Å; M75-F78 WeakPolarHBondContact O-CB 3.29Å; M75-F78 WeakPolarHBondContact O-CD2 3.35Å; M75-F78 PolarHBondContact O-N 2.93Å; M75-F78 VanDerWaalsContact O-N 3.08Å |
| 76 | F | 87.1 | Confident | 85.8 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -27.4 | 175.8 | -155.2 | -78.8 | 0 | 0 | 0 | 113.2 | F70 N74 F78 F79 L80 L99 F103 L115 H120 V121 I124 | F70-F76 HydrophobicContact CE1-CB 3.9Å; F70-F76 HydrophobicContact CE1-CD2 4.09Å; F70-F76 HydrophobicContact CZ-CB 3.83Å; F70-F76 AromaticContact CZ-CD2 3.95Å; F70-F76 HydrophobicContact CZ-CD2 3.95Å; F70-F76 HydrophobicContact CZ-CG 4.37Å; N74-F76 PolarHBondContact O-N 3.02Å; N74-F76 VanDerWaalsContact O-N 3.11Å; F76-F78 PolarHBondContact O-N 3.04Å; F76-F79 WeakPolarHBondContact O-CB 3.44Å; F76-F79 PolarHBondContact O-N 3.16Å; F76-F79 VanDerWaalsContact O-N 3.12Å; F76-L80 PolarHBondContact O-N 3.36Å; F76-L99 HydrophobicContact CE2-CD2 3.95Å; F76-L99 HydrophobicContact CZ-CD2 3.71Å; F76-F103 HydrophobicContact CE2-CE2 4.27Å; F76-F103 HydrophobicContact CE2-CZ 4.42Å; F76-F103 HydrophobicContact CZ-CE2 4.24Å; F76-F103 HydrophobicContact CZ-CZ 4.49Å; F76-L115 HydrophobicContact CD2-CD2 4.01Å; F76-L115 HydrophobicContact CE2-CD2 4.34Å; F76-H120 HydrophobicContact CD1-CB 3.36Å; F76-H120 AromaticContact CD1-CD2 3.74Å; F76-H120 AromaticContact CD1-CG 3.81Å; F76-H120 HydrophobicContact CE1-CB 3.51Å; F76-H120 HydrophobicContact CG-CB 4.42Å; F76-V121 HydrophobicContact CE1-CG2 4.5Å; F76-V121 HydrophobicContact CZ-CG2 4.1Å; F76-I124 HydrophobicContact CE1-CD1 3.69Å; F76-I124 HydrophobicContact CZ-CD1 4.16Å |
| 77 | V | 87.4 | Confident | 85.1 | Confident | 39 Ų | 39 | 49.4 Ų | 49.4 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.2 | -31.3 | 175.1 | 168.9 | 0 | 0 | 0 | 0 | 112.1 | N74 M75 F79 L80 N81 H120 | N74-V77 WeakPolarHBondContact O-CB 3.46Å; N74-V77 PolarHBondContact O-N 3.32Å; N74-V77 WeakPolarHBondContact OD1-CG2 3.36Å; M75-V77 PolarHBondContact O-N 3.09Å; V77-F79 VanDerWaalsContact C-N 3.33Å; V77-F79 PolarHBondContact O-N 3.24Å; V77-L80 PolarHBondContact O-N 2.85Å; V77-N81 WeakPolarHBondContact CG1-ND2 3.42Å; V77-N81 WeakPolarHBondContact O-CB 3.49Å; V77-N81 VanDerWaalsContact O-CG 3.27Å; V77-N81 PolarHBondContact O-N 3.1Å; V77-N81 PolarHBondContact O-ND2 2.91Å; V77-H120 WeakPolarHBondContact CG2-CE1 3.39Å; V77-H120 WeakPolarHBondContact CG2-NE2 3.45Å |
| 78 | F | 86.4 | Confident | 84.8 | Confident | 36 Ų | 36 | 51.1 Ų | 51.1 | 16% | 0.158 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66 | -37.2 | 177.5 | -69.1 | -96.1 | 0 | 0 | 0 | 111.5 | Y28 L31 T35 M75 F76 N81 I82 | Y28-F78 HydrophobicContact CD2-CE2 4.41Å; Y28-F78 AromaticContact CE2-CE2 3.86Å; Y28-F78 HydrophobicContact CE2-CE2 3.86Å; Y28-F78 HydrophobicContact CE2-CZ 4.07Å; L31-F78 HydrophobicContact CB-CD1 3.82Å; L31-F78 HydrophobicContact CB-CE1 4.23Å; L31-F78 HydrophobicContact CB-CG 4.17Å; L31-F78 HydrophobicContact CD1-CB 3.96Å; L31-F78 HydrophobicContact CD1-CG 4.24Å; T35-F78 HydrophobicContact CG2-CE1 4.28Å; M75-F78 WeakPolarHBondContact O-CB 3.29Å; M75-F78 WeakPolarHBondContact O-CD2 3.35Å; M75-F78 PolarHBondContact O-N 2.93Å; M75-F78 VanDerWaalsContact O-N 3.08Å; F76-F78 PolarHBondContact O-N 3.04Å; F78-N81 PolarHBondContact O-N 3.05Å; F78-I82 WeakPolarHBondContact O-CB 3.39Å; F78-I82 VanDerWaalsContact O-CG1 3.24Å; F78-I82 WeakPolarHBondContact O-CG1 3.17Å; F78-I82 PolarHBondContact O-N 3.02Å |
| 79 | F | 88.3 | Confident | 84.8 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 177.7 | -60.8 | -0.7 | 0 | 0 | 0 | 110.2 | L31 I49 I52 F76 V77 N81 I82 L83 L95 L99 | L31-F79 HydrophobicContact CD1-CE1 4.36Å; I49-F79 HydrophobicContact CB-CE1 4.24Å; I49-F79 HydrophobicContact CG1-CD1 3.96Å; I49-F79 HydrophobicContact CG1-CE1 3.8Å; I49-F79 HydrophobicContact CG2-CD1 4.27Å; I49-F79 HydrophobicContact CG2-CE1 3.95Å; I49-F79 HydrophobicContact CG2-CE2 4.3Å; I49-F79 HydrophobicContact CG2-CZ 3.96Å; I52-F79 HydrophobicContact CB-CZ 4.3Å; I52-F79 HydrophobicContact CD1-CE1 4.28Å; I52-F79 HydrophobicContact CG2-CZ 3.88Å; F76-F79 WeakPolarHBondContact O-CB 3.44Å; F76-F79 PolarHBondContact O-N 3.16Å; F76-F79 VanDerWaalsContact O-N 3.12Å; V77-F79 VanDerWaalsContact C-N 3.33Å; V77-F79 PolarHBondContact O-N 3.24Å; F79-N81 VanDerWaalsContact C-N 3.35Å; F79-N81 PolarHBondContact O-N 3.28Å; F79-I82 PolarHBondContact O-N 3.33Å; F79-L83 WeakPolarHBondContact O-CB 3.49Å; F79-L83 PolarHBondContact O-N 3.46Å; F79-L95 HydrophobicContact CB-CD2 3.87Å; F79-L95 HydrophobicContact CG-CD2 4.21Å; F79-L99 HydrophobicContact CD2-CD2 4.16Å |
| 80 | L | 84.8 | Confident | 84.8 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 174.8 | 179.9 | 61.1 | 0 | 0 | 0 | 112.7 | F76 V77 L83 R84 I124 | F76-L80 PolarHBondContact O-N 3.36Å; V77-L80 PolarHBondContact O-N 2.85Å; L80-L83 PolarHBondContact O-N 3.05Å; L80-R84 HydrophobicContact CD1-CG 4.32Å; L80-R84 WeakPolarHBondContact O-CB 3.32Å; L80-R84 VanDerWaalsContact O-CG 3.24Å; L80-R84 WeakPolarHBondContact O-CG 3.46Å; L80-R84 PolarHBondContact O-N 2.91Å; L80-I124 HydrophobicContact CD1-CG1 3.89Å |
| 81 | N | 86.7 | Confident | 84.7 | Confident | 72 Ų | 72 | 56.2 Ų | 56.2 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -72.1 | -32.7 | 178 | -77 | -17.1 | 0 | 0 | 0 | 113.2 | V77 F78 F79 Q85 | V77-N81 WeakPolarHBondContact CG1-ND2 3.42Å; V77-N81 WeakPolarHBondContact O-CB 3.49Å; V77-N81 VanDerWaalsContact O-CG 3.27Å; V77-N81 PolarHBondContact O-N 3.1Å; V77-N81 PolarHBondContact O-ND2 2.91Å; F78-N81 PolarHBondContact O-N 3.05Å; F79-N81 VanDerWaalsContact C-N 3.35Å; F79-N81 PolarHBondContact O-N 3.28Å; N81-Q85 WeakPolarHBondContact O-CG 3.4Å; N81-Q85 PolarHBondContact O-NE2 3.45Å |
| 82 | I | 86.1 | Confident | 85 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.1 | -38.7 | 173.7 | -69.9 | 167.5 | 0 | 0 | 0 | 110.1 | L31 V37 L45 I49 F78 F79 Q85 S87 V91 L95 | L31-I82 HydrophobicContact CD2-CD1 4.27Å; V37-I82 HydrophobicContact CG2-CB 4.38Å; V37-I82 HydrophobicContact CG2-CG1 4.33Å; V37-I82 HydrophobicContact CG2-CG2 3.8Å; L45-I82 HydrophobicContact CD1-CD1 4.49Å; L45-I82 HydrophobicContact CD2-CD1 4.13Å; I49-I82 HydrophobicContact CD1-CD1 3.94Å; F78-I82 WeakPolarHBondContact O-CB 3.39Å; F78-I82 VanDerWaalsContact O-CG1 3.24Å; F78-I82 WeakPolarHBondContact O-CG1 3.17Å; F78-I82 PolarHBondContact O-N 3.02Å; F79-I82 PolarHBondContact O-N 3.33Å; I82-Q85 PolarHBondContact O-N 3.31Å; I82-S87 PolarHBondContact O-OG 3.11Å; I82-V91 HydrophobicContact CG2-CG1 3.63Å; I82-L95 HydrophobicContact CB-CD1 4.16Å; I82-L95 HydrophobicContact CG2-CD1 3.65Å |
| 83 | L | 85.4 | Confident | 85.1 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 174.9 | -165.4 | 71.8 | 0 | 0 | 0 | 113 | F79 L80 Q85 L95 I124 H127 F129 | F79-L83 WeakPolarHBondContact O-CB 3.49Å; F79-L83 PolarHBondContact O-N 3.46Å; L80-L83 PolarHBondContact O-N 3.05Å; L83-Q85 PolarHBondContact O-N 2.84Å; L83-L95 HydrophobicContact CB-CD1 4.15Å; L83-L95 HydrophobicContact CD1-CB 4.41Å; L83-L95 HydrophobicContact CD1-CD1 4.08Å; L83-I124 HydrophobicContact CD2-CB 4.41Å; L83-I124 HydrophobicContact CD2-CG1 4.11Å; L83-I124 HydrophobicContact CD2-CG2 3.9Å; L83-H127 HydrophobicContact CD2-CB 4.35Å; L83-H127 PolarHBondContact O-CE1 2.8Å; L83-F129 HydrophobicContact CD1-CE1 3.94Å; L83-F129 HydrophobicContact CD1-CZ 4.43Å; L83-F129 HydrophobicContact CD2-CE1 4.29Å; L83-F129 HydrophobicContact CD2-CZ 3.96Å; L83-F129 HydrophobicContact CG-CE1 4.47Å |
| 84 | R | 83.9 | Confident | 85.2 | Confident | 145 Ų | 145 | 47.9 Ų | 47.9 | 55% | 0.547 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -8.9 | 178.1 | -77.7 | 173.5 | 174.6 | -177 | -0.5 | 114.6 | L80 | L80-R84 HydrophobicContact CD1-CG 4.32Å; L80-R84 WeakPolarHBondContact O-CB 3.32Å; L80-R84 VanDerWaalsContact O-CG 3.24Å; L80-R84 WeakPolarHBondContact O-CG 3.46Å; L80-R84 PolarHBondContact O-N 2.91Å |
| 85 | Q | 83.4 | Confident | 85.5 | Confident | 58 Ų | 58 | 45 Ų | 45 | 27% | 0.271 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -89.3 | 161.7 | 174.7 | -71.7 | 170.6 | 68 | 0 | 0 | 110.9 | T35 T36 N81 I82 L83 S87 | T35-Q85 PolarHBondContact O-NE2 2.81Å; T36-Q85 VanDerWaalsContact CA-OE1 3.27Å; N81-Q85 WeakPolarHBondContact O-CG 3.4Å; N81-Q85 PolarHBondContact O-NE2 3.45Å; I82-Q85 PolarHBondContact O-N 3.31Å; L83-Q85 PolarHBondContact O-N 2.84Å; Q85-S87 PolarHBondContact O-N 3.46Å; Q85-S87 PolarHBondContact O-OG 3.38Å |
| 86 | K | 73.8 | Confident | 85.6 | Confident | 222 Ų | 222 | 45 Ų | 45 | 97% | 0.965 | 21% | 0.211 | S | C | * | . | trans | -75.9 | 61.5 | 168.7 | -66.3 | -169.1 | 174.9 | -169.5 | 0 | 110.3 | G88 | K86-G88 VanDerWaalsContact C-N 3.31Å; K86-G88 PolarHBondContact O-N 2.78Å | ||
| 87 | S | 71.9 | Confident | 85.9 | Confident | 13 Ų | 13 | 47.6 Ų | 47.6 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | trans | -78.5 | -11.6 | -172.1 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | I82 Q85 V91 | I82-S87 PolarHBondContact O-OG 3.11Å; Q85-S87 PolarHBondContact O-N 3.46Å; Q85-S87 PolarHBondContact O-OG 3.38Å; S87-V91 WeakPolarHBondContact O-CG2 3.47Å | ||
| 88 | G | 78.6 | Confident | 86.1 | Confident | 42 Ų | 42 | 46.2 Ų | 46.2 | 43% | 0.433 | 22% | 0.215 | S | C | . | . | trans | 84.8 | 156.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K86 Y90 V91 C92 | K86-G88 VanDerWaalsContact C-N 3.31Å; K86-G88 PolarHBondContact O-N 2.78Å; G88-Y90 VanDerWaalsContact C-N 3.32Å; G88-Y90 PolarHBondContact O-N 3.39Å; G88-Y90 VanDerWaalsContact O-N 3.13Å; G88-V91 PolarHBondContact O-N 2.69Å; G88-C92 PolarHBondContact O-N 3Å | ||
| 89 | R | 86.7 | Confident | 86.4 | Confident | 126 Ų | 126 | 44.6 Ų | 44.6 | 48% | 0.475 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -37.8 | -57.3 | -175.7 | 178.4 | -171.2 | 178.2 | 132.4 | -6.9 | 113.1 | V91 C92 V93 D133 E135 I136 | R89-V91 VanDerWaalsContact C-N 3.34Å; R89-V91 PolarHBondContact O-N 3.2Å; R89-C92 PolarHBondContact O-N 3.41Å; R89-C92 VanDerWaalsContact O-N 3.17Å; R89-V93 HydrophobicContact CG-CG2 4.08Å; R89-V93 WeakPolarHBondContact O-CB 3.35Å; R89-V93 WeakPolarHBondContact O-CG2 3.37Å; R89-V93 PolarHBondContact O-N 2.94Å; R89-D133 WeakPolarHBondContact CD-OD2 3.37Å; R89-D133 WeakPolarHBondContact CG-OD2 3.47Å; R89-D133 IonicContact CZ-OD1 3.5Å; R89-D133 IonicContact CZ-OD2 2.71Å; R89-D133 VanDerWaalsContact CZ-OD2 3.23Å; R89-D133 IonicContact NE-OD1 2.75Å; R89-D133 IonicContact NE-OD2 2.75Å; R89-D133 PolarHBondContact NE-OD2 3.15Å; R89-D133 IonicContact NH1-OD1 3.62Å; R89-D133 PolarHBondContact NH1-OD1 2.74Å; R89-D133 IonicContact NH1-OD2 3.12Å; R89-D133 PolarHBondContact NH1-OD2 3.43Å; R89-D133 IonicContact NH2-OD1 3.65Å; R89-E135 IonicContact CZ-OE2 2.78Å; R89-E135 IonicContact NE-OE2 2.68Å; R89-E135 PolarHBondContact NE-OE2 3.2Å; R89-E135 IonicContact NH2-OE2 3.47Å; R89-E135 PolarHBondContact NH2-OE2 3.1Å; R89-I136 HydrophobicContact CG-CD1 4.39Å |
| 90 | Y | 87.3 | Confident | 86.6 | Confident | 103 Ų | 103 | 45.4 Ų | 45.4 | 40% | 0.404 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -53.5 | -45.4 | -176.8 | 175.1 | -113.7 | 0 | 0 | 0 | 113.5 | V46 G88 Q94 | V46-Y90 HydrophobicContact CB-CE1 4.36Å; V46-Y90 HydrophobicContact CG1-CE1 4.49Å; V46-Y90 HydrophobicContact CG2-CD1 4.4Å; V46-Y90 HydrophobicContact CG2-CE1 3.93Å; G88-Y90 VanDerWaalsContact C-N 3.32Å; G88-Y90 PolarHBondContact O-N 3.39Å; G88-Y90 VanDerWaalsContact O-N 3.13Å; Y90-Q94 HydrophobicContact CD2-CG 3.97Å; Y90-Q94 HydrophobicContact CE2-CG 3.67Å; Y90-Q94 VanDerWaalsContact O-CB 3.32Å; Y90-Q94 WeakPolarHBondContact O-CB 3.4Å; Y90-Q94 WeakPolarHBondContact O-CG 3.43Å; Y90-Q94 PolarHBondContact O-N 2.87Å |
| 91 | V | 87.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.1 | -37.8 | -178.2 | -176.6 | 0 | 0 | 0 | 0 | 111 | V37 R42 V46 I82 S87 G88 R89 L95 | V37-V91 HydrophobicContact CG1-CG2 4.37Å; R42-V91 HydrophobicContact CB-CG2 3.71Å; V46-V91 HydrophobicContact CG2-CB 4.47Å; V46-V91 HydrophobicContact CG2-CG1 4.32Å; V46-V91 HydrophobicContact CG2-CG2 4.23Å; I82-V91 HydrophobicContact CG2-CG1 3.63Å; S87-V91 WeakPolarHBondContact O-CG2 3.47Å; G88-V91 PolarHBondContact O-N 2.69Å; R89-V91 VanDerWaalsContact C-N 3.34Å; R89-V91 PolarHBondContact O-N 3.2Å; V91-L95 HydrophobicContact CG1-CD1 4.27Å; V91-L95 VanDerWaalsContact O-CB 3.31Å; V91-L95 WeakPolarHBondContact O-CB 3.32Å; V91-L95 PolarHBondContact O-N 3.05Å |
| 92 | C | 89.3 | Confident | 87.2 | Confident | 18 Ų | 18 | 44.9 Ų | 44.9 | 12% | 0.122 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.2 | -46.3 | 176.5 | -62 | 0 | 0 | 0 | 0 | 112.3 | G88 R89 L95 L96 | G88-C92 PolarHBondContact O-N 3Å; R89-C92 PolarHBondContact O-N 3.41Å; R89-C92 VanDerWaalsContact O-N 3.17Å; C92-L95 PolarHBondContact O-N 3.36Å; C92-L96 WeakPolarHBondContact O-CG 3.14Å; C92-L96 PolarHBondContact O-N 2.7Å |
| 93 | V | 90.3 | Very high | 87.5 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.7 | -51.7 | 175.9 | 164.1 | 0 | 0 | 0 | 0 | 110.5 | R89 L95 L96 Q97 E135 I136 Y139 | R89-V93 HydrophobicContact CG-CG2 4.08Å; R89-V93 WeakPolarHBondContact O-CB 3.35Å; R89-V93 WeakPolarHBondContact O-CG2 3.37Å; R89-V93 PolarHBondContact O-N 2.94Å; V93-L95 VanDerWaalsContact C-N 3.32Å; V93-L95 PolarHBondContact O-N 3.24Å; V93-L96 PolarHBondContact O-N 3.26Å; V93-Q97 WeakPolarHBondContact O-CB 3.35Å; V93-Q97 PolarHBondContact O-N 3.19Å; V93-E135 HydrophobicContact CG1-CG 4.27Å; V93-E135 HydrophobicContact CG2-CG 3.87Å; V93-I136 HydrophobicContact CG2-CG1 3.87Å; V93-Y139 HydrophobicContact CB-CD2 4.49Å; V93-Y139 HydrophobicContact CG1-CD2 3.7Å; V93-Y139 HydrophobicContact CG1-CE2 3.51Å; V93-Y139 HydrophobicContact CG2-CD2 4.43Å |
| 94 | Q | 90.3 | Very high | 87.9 | Confident | 42 Ų | 42 | 49.6 Ų | 49.6 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.5 | -33.1 | -178.7 | -69 | -66.2 | -71.5 | 0 | 0 | 112.6 | V46 Y90 T98 | V46-Q94 HydrophobicContact CG1-CB 3.71Å; V46-Q94 HydrophobicContact CG1-CG 3.87Å; V46-Q94 HydrophobicContact CG2-CB 3.99Å; V46-Q94 HydrophobicContact CG2-CG 4.46Å; Y90-Q94 HydrophobicContact CD2-CG 3.97Å; Y90-Q94 HydrophobicContact CE2-CG 3.67Å; Y90-Q94 VanDerWaalsContact O-CB 3.32Å; Y90-Q94 WeakPolarHBondContact O-CB 3.4Å; Y90-Q94 WeakPolarHBondContact O-CG 3.43Å; Y90-Q94 PolarHBondContact O-N 2.87Å; Q94-T98 WeakPolarHBondContact O-CB 3.33Å; Q94-T98 PolarHBondContact O-N 3.14Å; Q94-T98 PolarHBondContact O-OG1 3.04Å |
| 95 | L | 91.3 | Very high | 88.3 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -49.8 | 170.3 | -95.4 | 166.6 | 0 | 0 | 0 | 112.2 | I49 F79 I82 L83 V91 C92 V93 T98 L99 | I49-L95 HydrophobicContact CD1-CD2 3.97Å; I49-L95 HydrophobicContact CD1-CG 4.24Å; I49-L95 HydrophobicContact CG2-CD2 4.07Å; F79-L95 HydrophobicContact CB-CD2 3.87Å; F79-L95 HydrophobicContact CG-CD2 4.21Å; I82-L95 HydrophobicContact CB-CD1 4.16Å; I82-L95 HydrophobicContact CG2-CD1 3.65Å; L83-L95 HydrophobicContact CB-CD1 4.15Å; L83-L95 HydrophobicContact CD1-CB 4.41Å; L83-L95 HydrophobicContact CD1-CD1 4.08Å; V91-L95 HydrophobicContact CG1-CD1 4.27Å; V91-L95 VanDerWaalsContact O-CB 3.31Å; V91-L95 WeakPolarHBondContact O-CB 3.32Å; V91-L95 PolarHBondContact O-N 3.05Å; C92-L95 PolarHBondContact O-N 3.36Å; V93-L95 VanDerWaalsContact C-N 3.32Å; V93-L95 PolarHBondContact O-N 3.24Å; L95-T98 PolarHBondContact O-N 3.39Å; L95-L99 WeakPolarHBondContact O-CB 3.44Å; L95-L99 VanDerWaalsContact O-CG 3.27Å; L95-L99 WeakPolarHBondContact O-CG 3.41Å; L95-L99 PolarHBondContact O-N 3.37Å |
| 96 | L | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 179.1 | -75.3 | 171.4 | 0 | 0 | 0 | 111.7 | C92 V93 T98 L99 N100 F129 I136 F143 | C92-L96 WeakPolarHBondContact O-CG 3.14Å; C92-L96 PolarHBondContact O-N 2.7Å; V93-L96 PolarHBondContact O-N 3.26Å; L96-T98 PolarHBondContact O-N 3.01Å; L96-L99 PolarHBondContact O-N 3.43Å; L96-N100 WeakPolarHBondContact O-CB 3.29Å; L96-N100 PolarHBondContact O-N 3.34Å; L96-F129 HydrophobicContact CD1-CD1 4.17Å; L96-F129 HydrophobicContact CD1-CE1 3.68Å; L96-F129 HydrophobicContact CD1-CZ 4.29Å; L96-F129 HydrophobicContact CD2-CE1 3.98Å; L96-F129 HydrophobicContact CD2-CZ 3.82Å; L96-F129 HydrophobicContact CG-CE1 4.02Å; L96-F129 HydrophobicContact CG-CZ 4.37Å; L96-I136 HydrophobicContact CD1-CG2 4.21Å; L96-F143 HydrophobicContact CD2-CD1 4.4Å |
| 97 | Q | 92.3 | Very high | 89.2 | Confident | 62 Ų | 62 | 36.7 Ų | 36.7 | 29% | 0.29 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.5 | -46.8 | 175.9 | -174.1 | 179.7 | 15.7 | 0 | 0 | 111.4 | V93 L99 N100 I101 Y139 | V93-Q97 WeakPolarHBondContact O-CB 3.35Å; V93-Q97 PolarHBondContact O-N 3.19Å; Q97-L99 PolarHBondContact O-N 3.29Å; Q97-N100 WeakPolarHBondContact O-CB 3.46Å; Q97-N100 PolarHBondContact O-N 3.33Å; Q97-I101 HydrophobicContact CG-CD1 4.05Å; Q97-I101 WeakPolarHBondContact O-CG1 3.5Å; Q97-I101 PolarHBondContact O-N 2.84Å; Q97-Y139 HydrophobicContact CB-CD1 3.98Å; Q97-Y139 HydrophobicContact CB-CE1 3.88Å; Q97-Y139 HydrophobicContact CG-CD1 4.34Å; Q97-Y139 HydrophobicContact CG-CE1 3.84Å |
| 98 | T | 92.4 | Very high | 90 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.055 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66 | -39.2 | -180 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | I49 T53 Q94 L95 L96 L102 | I49-T98 HydrophobicContact CG2-CG2 3.95Å; T53-T98 VanDerWaalsContact CB-CG2 3.47Å; T53-T98 HydrophobicContact CG2-CG2 3.79Å; T53-T98 WeakPolarHBondContact OG1-CG2 3.42Å; Q94-T98 WeakPolarHBondContact O-CB 3.33Å; Q94-T98 PolarHBondContact O-N 3.14Å; Q94-T98 PolarHBondContact O-OG1 3.04Å; L95-T98 PolarHBondContact O-N 3.39Å; L96-T98 PolarHBondContact O-N 3.01Å; T98-L102 WeakPolarHBondContact O-CB 3.5Å; T98-L102 PolarHBondContact O-N 3.08Å |
| 99 | L | 91.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.3 | -38.2 | 173.8 | -75.7 | 166.4 | 0 | 0 | 0 | 112.4 | F76 F79 L95 L96 Q97 L102 F103 I124 F143 | F76-L99 HydrophobicContact CE2-CD2 3.95Å; F76-L99 HydrophobicContact CZ-CD2 3.71Å; F79-L99 HydrophobicContact CD2-CD2 4.16Å; L95-L99 WeakPolarHBondContact O-CB 3.44Å; L95-L99 VanDerWaalsContact O-CG 3.27Å; L95-L99 WeakPolarHBondContact O-CG 3.41Å; L95-L99 PolarHBondContact O-N 3.37Å; L96-L99 PolarHBondContact O-N 3.43Å; Q97-L99 PolarHBondContact O-N 3.29Å; L99-L102 PolarHBondContact O-N 2.99Å; L99-F103 WeakPolarHBondContact O-CD2 3.4Å; L99-F103 PolarHBondContact O-N 2.96Å; L99-F103 VanDerWaalsContact O-N 3.08Å; L99-I124 HydrophobicContact CD1-CD1 3.79Å; L99-I124 HydrophobicContact CD1-CG2 4.48Å; L99-F143 HydrophobicContact CB-CD2 4.14Å; L99-F143 HydrophobicContact CB-CE2 3.83Å |
| 100 | N | 92.9 | Very high | 90.4 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 10% | 0.096 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.7 | -51.9 | 175.7 | -168.1 | 72.3 | 0 | 0 | 0 | 110.8 | L96 Q97 L102 F103 E104 S142 F143 T146 | L96-N100 WeakPolarHBondContact O-CB 3.29Å; L96-N100 PolarHBondContact O-N 3.34Å; Q97-N100 WeakPolarHBondContact O-CB 3.46Å; Q97-N100 PolarHBondContact O-N 3.33Å; N100-L102 VanDerWaalsContact C-N 3.29Å; N100-L102 PolarHBondContact O-N 2.92Å; N100-F103 PolarHBondContact O-N 3.18Å; N100-E104 VanDerWaalsContact O-CB 3.24Å; N100-E104 WeakPolarHBondContact O-CB 3.5Å; N100-E104 PolarHBondContact O-N 3.43Å; N100-S142 PolarHBondContact OD1-O 3.23Å; N100-F143 WeakPolarHBondContact OD1-CA 3.44Å; N100-F143 PolarHBondContact OD1-N 2.83Å; N100-T146 VanDerWaalsContact OD1-CB 3.27Å; N100-T146 WeakPolarHBondContact OD1-CB 3.38Å; N100-T146 PolarHBondContact OD1-OG1 2.8Å |
| 101 | I | 92.5 | Very high | 90.4 | Very high | 67 Ų | 67 | 37.2 Ų | 37.2 | 34% | 0.344 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.5 | -40.5 | 178.2 | -65.1 | 165 | 0 | 0 | 0 | 111 | I57 Q97 N105 | I57-I101 HydrophobicContact CD1-CG2 3.87Å; Q97-I101 HydrophobicContact CG-CD1 4.05Å; Q97-I101 WeakPolarHBondContact O-CG1 3.5Å; Q97-I101 PolarHBondContact O-N 2.84Å; I101-N105 WeakPolarHBondContact O-CB 3.45Å; I101-N105 PolarHBondContact O-N 3.43Å; I101-N105 VanDerWaalsContact O-N 3.12Å; I101-N105 PolarHBondContact O-ND2 3.47Å |
| 102 | L | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.9 | -53.3 | 176.2 | -178.7 | 64.4 | 0 | 0 | 0 | 112.3 | T53 L56 I57 T98 L99 N100 I106 L115 | T53-L102 HydrophobicContact CG2-CB 3.82Å; T53-L102 HydrophobicContact CG2-CD1 4.12Å; T53-L102 HydrophobicContact CG2-CG 4.49Å; L56-L102 HydrophobicContact CB-CD1 3.82Å; L56-L102 HydrophobicContact CD1-CD1 3.98Å; L56-L102 HydrophobicContact CD1-CD2 4.2Å; I57-L102 HydrophobicContact CG1-CD1 4.1Å; T98-L102 WeakPolarHBondContact O-CB 3.5Å; T98-L102 PolarHBondContact O-N 3.08Å; L99-L102 PolarHBondContact O-N 2.99Å; N100-L102 VanDerWaalsContact C-N 3.29Å; N100-L102 PolarHBondContact O-N 2.92Å; L102-I106 HydrophobicContact CD1-CD1 3.78Å; L102-I106 HydrophobicContact CD1-CG1 4.31Å; L102-I106 HydrophobicContact CG-CD1 3.94Å; L102-I106 VanDerWaalsContact O-CG1 3.29Å; L102-I106 WeakPolarHBondContact O-CG1 3.44Å; L102-I106 PolarHBondContact O-N 2.91Å; L102-L115 HydrophobicContact CD2-CD1 4.16Å; L102-L115 HydrophobicContact CG-CD1 4.39Å |
| 103 | F | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.6 | -28.8 | -177.3 | -81.2 | -78.6 | 0 | 0 | 0 | 113.2 | F76 L99 N100 L112 L115 L116 V121 F143 T146 L147 K150 | F76-F103 HydrophobicContact CE2-CE2 4.27Å; F76-F103 HydrophobicContact CE2-CZ 4.42Å; F76-F103 HydrophobicContact CZ-CE2 4.24Å; F76-F103 HydrophobicContact CZ-CZ 4.49Å; L99-F103 WeakPolarHBondContact O-CD2 3.4Å; L99-F103 PolarHBondContact O-N 2.96Å; L99-F103 VanDerWaalsContact O-N 3.08Å; N100-F103 PolarHBondContact O-N 3.18Å; F103-L112 HydrophobicContact CD1-CD1 3.94Å; F103-L112 HydrophobicContact CE1-CD1 4.1Å; F103-L115 HydrophobicContact CE1-CB 4.03Å; F103-L115 HydrophobicContact CE1-CD1 4.11Å; F103-L115 HydrophobicContact CZ-CB 3.95Å; F103-L115 HydrophobicContact CZ-CD1 4.04Å; F103-L116 HydrophobicContact CE1-CD2 4.13Å; F103-V121 HydrophobicContact CE1-CG2 4.39Å; F103-V121 HydrophobicContact CE2-CG2 4.09Å; F103-V121 HydrophobicContact CZ-CG2 3.54Å; F103-F143 AromaticContact CD2-CE2 3.92Å; F103-F143 HydrophobicContact CD2-CE2 3.92Å; F103-F143 HydrophobicContact CE2-CE2 4.34Å; F103-T146 HydrophobicContact CB-CG2 4.15Å; F103-L147 HydrophobicContact CB-CD2 4.23Å; F103-L147 HydrophobicContact CD1-CD2 3.84Å; F103-L147 HydrophobicContact CD2-CD2 4.16Å; F103-L147 HydrophobicContact CE1-CD2 4.25Å; F103-L147 HydrophobicContact CG-CD2 3.8Å; F103-K150 WeakPolarHBondContact O-CE 3.46Å; F103-K150 PolarHBondContact O-NZ 3.07Å |
| 104 | E | 93.3 | Very high | 90.3 | Very high | 107 Ų | 107 | 45.1 Ų | 45.1 | 50% | 0.5 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.4 | -51.4 | 173.4 | -174.1 | 166.6 | -156.6 | 0 | 0 | 111.1 | N100 T146 K150 | N100-E104 VanDerWaalsContact O-CB 3.24Å; N100-E104 WeakPolarHBondContact O-CB 3.5Å; N100-E104 PolarHBondContact O-N 3.43Å; E104-T146 HydrophobicContact CB-CG2 3.89Å; E104-K150 PolarHBondContact O-NZ 3.35Å |
| 105 | N | 91.8 | Very high | 90.2 | Very high | 77 Ų | 77 | 43.3 Ų | 43.3 | 41% | 0.412 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -87.6 | -11.2 | -170.1 | -69.7 | -90.8 | 0 | 0 | 0 | 115.4 | I57 I101 S107 | I57-N105 HydrophobicContact CD1-CB 4.06Å; I57-N105 HydrophobicContact CG1-CB 4.17Å; I57-N105 HydrophobicContact CG2-CB 3.85Å; I101-N105 WeakPolarHBondContact O-CB 3.45Å; I101-N105 PolarHBondContact O-N 3.43Å; I101-N105 VanDerWaalsContact O-N 3.12Å; I101-N105 PolarHBondContact O-ND2 3.47Å; N105-S107 PolarHBondContact O-N 2.92Å |
| 106 | I | 90.3 | Very high | 90.1 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | trans | -66 | 130.6 | 172.4 | -76.8 | 166.9 | 0 | 0 | 0 | 110.4 | F67 L102 L112 L115 K150 | F67-I106 HydrophobicContact CZ-CD1 4.11Å; F67-I106 HydrophobicContact CZ-CG1 4.46Å; L102-I106 HydrophobicContact CD1-CD1 3.78Å; L102-I106 HydrophobicContact CD1-CG1 4.31Å; L102-I106 HydrophobicContact CG-CD1 3.94Å; L102-I106 VanDerWaalsContact O-CG1 3.29Å; L102-I106 WeakPolarHBondContact O-CG1 3.44Å; L102-I106 PolarHBondContact O-N 2.91Å; I106-L112 HydrophobicContact CG2-CB 4.14Å; I106-L115 HydrophobicContact CD1-CD1 3.3Å; I106-K150 PolarHBondContact O-NZ 3.04Å | ||
| 107 | S | 85.1 | Confident | 89.8 | Confident | 70 Ų | 70 | 46.3 Ų | 46.3 | 49% | 0.49 | 24% | 0.237 | S | C | . | . | trans | -113.8 | -35.9 | -170.2 | 61.9 | 0 | 0 | 0 | 0 | 112.8 | D60 N105 | D60-S107 WeakPolarHBondContact OD2-CA 3.42Å; D60-S107 PolarHBondContact OD2-N 3.35Å; D60-S107 PolarHBondContact OD2-OG 2.9Å; N105-S107 PolarHBondContact O-N 2.92Å | ||
| 108 | H | 88.9 | Confident | 89.2 | Confident | 92 Ų | 92 | 46.9 Ų | 46.9 | 43% | 0.426 | 24% | 0.242 | S | C | . | . | trans | -85.6 | 128 | 179.5 | -68.8 | -83.7 | 0 | 0 | 0 | 112.4 | D60 T110 S111 L112 | D60-H108 PolarHBondContact O-CD2 2.8Å; D60-H108 IonicContact OD1-CD2 3.08Å; D60-H108 IonicContact OD2-CD2 2.83Å; D60-H108 PolarHBondContact OD2-N 2.76Å; D60-H108 VanDerWaalsContact OD2-N 3.12Å; H108-T110 VanDerWaalsContact C-N 3.28Å; H108-T110 PolarHBondContact O-N 3.26Å; H108-S111 PolarHBondContact O-N 2.89Å; H108-L112 PolarHBondContact O-N 2.71Å; H108-L112 VanDerWaalsContact O-N 3.17Å | ||
| 109 | E | 86.8 | Confident | 88.9 | Confident | 108 Ų | 108 | 50.6 Ų | 50.6 | 51% | 0.505 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.6 | -37.2 | -179.8 | -64.8 | -159.3 | 174.3 | 0 | 0 | 113 | S111 L112 Y113 | E109-S111 PolarHBondContact O-N 3.14Å; E109-L112 WeakPolarHBondContact O-CB 3.44Å; E109-L112 PolarHBondContact O-N 3.17Å; E109-Y113 HydrophobicContact CB-CD2 4.13Å; E109-Y113 HydrophobicContact CB-CE2 3.63Å; E109-Y113 WeakPolarHBondContact O-CD2 3.46Å; E109-Y113 VanDerWaalsContact O-CG 3.3Å; E109-Y113 PolarHBondContact O-N 3.1Å; E109-Y113 WeakPolarHBondContact OE2-CE2 3.49Å; E109-Y113 PolarHBondContact OE2-OH 2.97Å |
| 110 | T | 87.4 | Confident | 88.7 | Confident | 84 Ų | 84 | 51.5 Ų | 51.5 | 52% | 0.515 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.8 | -49.9 | 177.8 | 43.5 | 0 | 0 | 0 | 0 | 111.6 | H108 L112 Y113 Y114 | H108-T110 VanDerWaalsContact C-N 3.28Å; H108-T110 PolarHBondContact O-N 3.26Å; T110-L112 VanDerWaalsContact C-N 3.33Å; T110-L112 PolarHBondContact O-N 2.91Å; T110-Y113 PolarHBondContact O-N 3.31Å; T110-Y114 WeakPolarHBondContact O-CD2 3.49Å; T110-Y114 PolarHBondContact O-N 3.35Å |
| 111 | S | 88.1 | Confident | 88.6 | Confident | 11 Ų | 11 | 50.8 Ų | 50.8 | 8% | 0.077 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 175.3 | -53 | 0 | 0 | 0 | 0 | 112 | D60 H108 E109 Y114 L115 | D60-S111 WeakPolarHBondContact OD1-CB 3.26Å; D60-S111 PolarHBondContact OD1-OG 2.83Å; H108-S111 PolarHBondContact O-N 2.89Å; E109-S111 PolarHBondContact O-N 3.14Å; S111-Y114 PolarHBondContact O-N 3.04Å; S111-L115 PolarHBondContact O-N 2.89Å |
| 112 | L | 89.6 | Confident | 88.6 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.3 | -51 | 176.1 | 179.2 | 64.2 | 0 | 0 | 0 | 111.6 | F103 I106 H108 E109 T110 Y114 L115 L116 K150 T155 | F103-L112 HydrophobicContact CD1-CD1 3.94Å; F103-L112 HydrophobicContact CE1-CD1 4.1Å; I106-L112 HydrophobicContact CG2-CB 4.14Å; H108-L112 PolarHBondContact O-N 2.71Å; H108-L112 VanDerWaalsContact O-N 3.17Å; E109-L112 WeakPolarHBondContact O-CB 3.44Å; E109-L112 PolarHBondContact O-N 3.17Å; T110-L112 VanDerWaalsContact C-N 3.33Å; T110-L112 PolarHBondContact O-N 2.91Å; L112-Y114 VanDerWaalsContact C-N 3.3Å; L112-Y114 PolarHBondContact O-N 3.36Å; L112-L115 PolarHBondContact O-N 3.35Å; L112-L116 HydrophobicContact CD1-CD1 4.07Å; L112-L116 HydrophobicContact CD1-CG 4.29Å; L112-L116 HydrophobicContact CG-CD1 4.06Å; L112-L116 WeakPolarHBondContact O-CG 3.47Å; L112-L116 PolarHBondContact O-N 3.09Å; L112-K150 HydrophobicContact CD2-CB 4.19Å; L112-K150 HydrophobicContact CD2-CD 4.49Å; L112-T155 HydrophobicContact CD2-CG2 4.11Å |
| 113 | Y | 88.6 | Confident | 88.4 | Confident | 53 Ų | 53 | 50.1 Ų | 50.1 | 21% | 0.208 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.1 | -41.8 | 176.8 | -66.4 | -49.9 | 0 | 0 | 0 | 111.4 | E109 T110 L116 S117 H154 T155 F158 | E109-Y113 HydrophobicContact CB-CD2 4.13Å; E109-Y113 HydrophobicContact CB-CE2 3.63Å; E109-Y113 WeakPolarHBondContact O-CD2 3.46Å; E109-Y113 VanDerWaalsContact O-CG 3.3Å; E109-Y113 PolarHBondContact O-N 3.1Å; E109-Y113 WeakPolarHBondContact OE2-CE2 3.49Å; E109-Y113 PolarHBondContact OE2-OH 2.97Å; T110-Y113 PolarHBondContact O-N 3.31Å; Y113-L116 PolarHBondContact O-N 3.18Å; Y113-S117 VanDerWaalsContact O-CB 3.26Å; Y113-S117 WeakPolarHBondContact O-CB 3.38Å; Y113-S117 PolarHBondContact O-N 2.9Å; Y113-H154 HydrophobicContact CE1-CB 4.17Å; Y113-T155 HydrophobicContact CD1-CG2 4.12Å; Y113-T155 HydrophobicContact CE1-CG2 3.54Å; Y113-F158 HydrophobicContact CD1-CD2 4.46Å; Y113-F158 AromaticContact CD1-CE2 3.56Å; Y113-F158 HydrophobicContact CD1-CE2 3.56Å; Y113-F158 HydrophobicContact CD1-CZ 4.07Å; Y113-F158 HydrophobicContact CE1-CE2 4.18Å |
| 114 | Y | 86.3 | Confident | 88.4 | Confident | 119 Ų | 119 | 50.1 Ų | 50.1 | 47% | 0.467 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 177.6 | -70.2 | -48.1 | 0 | 0 | 0 | 113.2 | L71 T110 S111 L112 S117 | L71-Y114 HydrophobicContact CD1-CD1 4.31Å; L71-Y114 HydrophobicContact CD1-CD2 3.88Å; L71-Y114 HydrophobicContact CD1-CG 3.71Å; T110-Y114 WeakPolarHBondContact O-CD2 3.49Å; T110-Y114 PolarHBondContact O-N 3.35Å; S111-Y114 PolarHBondContact O-N 3.04Å; L112-Y114 VanDerWaalsContact C-N 3.3Å; L112-Y114 PolarHBondContact O-N 3.36Å; Y114-S117 PolarHBondContact O-N 3.1Å; Y114-S117 PolarHBondContact O-OG 3.13Å |
| 115 | L | 87.7 | Confident | 88.4 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.3 | -37.8 | 175.9 | -69.3 | -175.7 | 0 | 0 | 0 | 112.8 | F67 F70 F76 L102 F103 I106 S111 L112 | F67-L115 HydrophobicContact CE1-CD1 4.33Å; F67-L115 HydrophobicContact CE1-CD2 4.34Å; F67-L115 HydrophobicContact CE1-CG 4.22Å; F70-L115 HydrophobicContact CD1-CD2 4.4Å; F70-L115 HydrophobicContact CE1-CD2 3.8Å; F76-L115 HydrophobicContact CD2-CD2 4.01Å; F76-L115 HydrophobicContact CE2-CD2 4.34Å; L102-L115 HydrophobicContact CD2-CD1 4.16Å; L102-L115 HydrophobicContact CG-CD1 4.39Å; F103-L115 HydrophobicContact CE1-CB 4.03Å; F103-L115 HydrophobicContact CE1-CD1 4.11Å; F103-L115 HydrophobicContact CZ-CB 3.95Å; F103-L115 HydrophobicContact CZ-CD1 4.04Å; I106-L115 HydrophobicContact CD1-CD1 3.3Å; S111-L115 PolarHBondContact O-N 2.89Å; L112-L115 PolarHBondContact O-N 3.35Å |
| 116 | L | 88.9 | Confident | 88.4 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.6 | -37.5 | 178 | -65 | 177.9 | 0 | 0 | 0 | 112.6 | F103 L112 Y113 N118 N119 V121 T155 F158 F159 | F103-L116 HydrophobicContact CE1-CD2 4.13Å; L112-L116 HydrophobicContact CD1-CD1 4.07Å; L112-L116 HydrophobicContact CD1-CG 4.29Å; L112-L116 HydrophobicContact CG-CD1 4.06Å; L112-L116 WeakPolarHBondContact O-CG 3.47Å; L112-L116 PolarHBondContact O-N 3.09Å; Y113-L116 PolarHBondContact O-N 3.18Å; L116-N118 VanDerWaalsContact C-N 3.26Å; L116-N118 PolarHBondContact O-N 2.79Å; L116-N118 VanDerWaalsContact O-N 3.09Å; L116-N119 PolarHBondContact O-N 3.44Å; L116-N119 VanDerWaalsContact O-N 3.15Å; L116-V121 HydrophobicContact CD2-CB 4.35Å; L116-V121 HydrophobicContact CD2-CG1 4.37Å; L116-V121 HydrophobicContact CD2-CG2 4.13Å; L116-T155 HydrophobicContact CD1-CG2 4.33Å; L116-F158 HydrophobicContact CB-CB 3.82Å; L116-F158 HydrophobicContact CB-CD1 3.99Å; L116-F158 HydrophobicContact CB-CD2 4.17Å; L116-F158 HydrophobicContact CB-CG 3.71Å; L116-F158 HydrophobicContact CD1-CB 4.42Å; L116-F158 HydrophobicContact CD1-CD2 4.24Å; L116-F158 HydrophobicContact CD1-CG 4.46Å; L116-F159 HydrophobicContact CD1-CE2 4.05Å; L116-F159 HydrophobicContact CD1-CZ 4.29Å; L116-F159 HydrophobicContact CD2-CE1 4.12Å; L116-F159 HydrophobicContact CD2-CE2 4.05Å; L116-F159 HydrophobicContact CD2-CZ 3.48Å; L116-F159 VanDerWaalsContact CD2-CZ 3.48Å |
| 117 | S | 85.1 | Confident | 88.4 | Confident | 60 Ų | 60 | 46.4 Ų | 46.4 | 42% | 0.42 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -53.3 | -34.6 | -171.7 | 68.3 | 0 | 0 | 0 | 0 | 115.6 | Y113 Y114 N119 | Y113-S117 VanDerWaalsContact O-CB 3.26Å; Y113-S117 WeakPolarHBondContact O-CB 3.38Å; Y113-S117 PolarHBondContact O-N 2.9Å; Y114-S117 PolarHBondContact O-N 3.1Å; Y114-S117 PolarHBondContact O-OG 3.13Å; S117-N119 PolarHBondContact O-N 2.91Å |
| 118 | N | 80.9 | Confident | 88.5 | Confident | 74 Ų | 74 | 51.9 Ų | 51.9 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 4 | -174 | -76.4 | -81 | 0 | 0 | 0 | 114 | L116 H120 | L116-N118 VanDerWaalsContact C-N 3.26Å; L116-N118 PolarHBondContact O-N 2.79Å; L116-N118 VanDerWaalsContact O-N 3.09Å; N118-H120 VanDerWaalsContact CB-CD2 3.48Å; N118-H120 WeakPolarHBondContact CB-CD2 3.41Å; N118-H120 PolarHBondContact O-N 3.27Å |
| 119 | N | 85.6 | Confident | 88.5 | Confident | 88 Ų | 88 | 48.4 Ų | 48.4 | 47% | 0.471 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 60.3 | 9.1 | 178.8 | -163.7 | 43.4 | 0 | 0 | 0 | 114.9 | L116 S117 V121 N122 S123 | L116-N119 PolarHBondContact O-N 3.44Å; L116-N119 VanDerWaalsContact O-N 3.15Å; S117-N119 PolarHBondContact O-N 2.91Å; N119-V121 VanDerWaalsContact C-N 3.32Å; N119-V121 PolarHBondContact O-N 3.3Å; N119-N122 WeakPolarHBondContact OD1-CB 3.44Å; N119-N122 PolarHBondContact OD1-ND2 3.41Å; N119-S123 PolarHBondContact O-N 3.38Å; N119-S123 PolarHBondContact O-OG 3.2Å |
| 120 | H | 87.7 | Confident | 88.6 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 10% | 0.102 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.1 | -36.1 | 176.3 | -60.7 | -41.9 | 0 | 0 | 0 | 111.7 | N74 F76 V77 N118 S123 I124 | N74-H120 PolarHBondContact OD1-NE2 2.96Å; F76-H120 HydrophobicContact CD1-CB 3.36Å; F76-H120 AromaticContact CD1-CD2 3.74Å; F76-H120 AromaticContact CD1-CG 3.81Å; F76-H120 HydrophobicContact CE1-CB 3.51Å; F76-H120 HydrophobicContact CG-CB 4.42Å; V77-H120 WeakPolarHBondContact CG2-CE1 3.39Å; V77-H120 WeakPolarHBondContact CG2-NE2 3.45Å; N118-H120 VanDerWaalsContact CB-CD2 3.48Å; N118-H120 WeakPolarHBondContact CB-CD2 3.41Å; N118-H120 PolarHBondContact O-N 3.27Å; H120-S123 CarbonylContact O-C 3.42Å; H120-S123 WeakPolarHBondContact O-CA 3.28Å; H120-S123 VanDerWaalsContact O-CB 3.28Å; H120-S123 WeakPolarHBondContact O-CB 3.11Å; H120-S123 PolarHBondContact O-N 2.79Å; H120-S123 VanDerWaalsContact O-N 3.11Å; H120-I124 WeakPolarHBondContact O-CG1 3.19Å; H120-I124 PolarHBondContact O-N 3.06Å |
| 121 | V | 90.6 | Very high | 88.7 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.2 | -48.1 | 179.7 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | F76 F103 L116 N119 S123 I124 I125 F143 L147 F159 | F76-V121 HydrophobicContact CE1-CG2 4.5Å; F76-V121 HydrophobicContact CZ-CG2 4.1Å; F103-V121 HydrophobicContact CE1-CG2 4.39Å; F103-V121 HydrophobicContact CE2-CG2 4.09Å; F103-V121 HydrophobicContact CZ-CG2 3.54Å; L116-V121 HydrophobicContact CD2-CB 4.35Å; L116-V121 HydrophobicContact CD2-CG1 4.37Å; L116-V121 HydrophobicContact CD2-CG2 4.13Å; N119-V121 VanDerWaalsContact C-N 3.32Å; N119-V121 PolarHBondContact O-N 3.3Å; V121-S123 PolarHBondContact O-N 2.77Å; V121-I124 WeakPolarHBondContact O-CA 3.49Å; V121-I124 WeakPolarHBondContact O-CB 3.39Å; V121-I124 PolarHBondContact O-N 2.89Å; V121-I125 HydrophobicContact CG1-CD1 4.15Å; V121-I125 WeakPolarHBondContact O-CG1 3.33Å; V121-I125 PolarHBondContact O-N 3.44Å; V121-F143 HydrophobicContact CG1-CZ 4.29Å; V121-L147 HydrophobicContact CG1-CD1 3.59Å; V121-L147 HydrophobicContact CG1-CD2 4.06Å; V121-F159 HydrophobicContact CG1-CE1 4.03Å |
| 122 | N | 91.4 | Very high | 88.7 | Confident | 18 Ų | 18 | 52.1 Ų | 52.1 | 10% | 0.096 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -33.4 | 172.6 | -64 | -38.4 | 0 | 0 | 0 | 112.3 | N119 I124 I125 V126 F158 F159 A168 | N119-N122 WeakPolarHBondContact OD1-CB 3.44Å; N119-N122 PolarHBondContact OD1-ND2 3.41Å; N122-I124 PolarHBondContact O-N 3.18Å; N122-I125 PolarHBondContact O-N 3Å; N122-V126 WeakPolarHBondContact O-CG2 3.47Å; N122-V126 PolarHBondContact O-N 3.17Å; N122-F158 PolarHBondContact ND2-O 3Å; N122-F159 WeakPolarHBondContact OD1-CD1 3.39Å; N122-A168 HydrophobicContact CB-CB 4.03Å |
| 123 | S | 90.6 | Very high | 88.7 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.8 | -16.5 | 174.5 | -59.1 | 0 | 0 | 0 | 0 | 114 | N119 H120 V121 | N119-S123 PolarHBondContact O-N 3.38Å; N119-S123 PolarHBondContact O-OG 3.2Å; H120-S123 CarbonylContact O-C 3.42Å; H120-S123 WeakPolarHBondContact O-CA 3.28Å; H120-S123 VanDerWaalsContact O-CB 3.28Å; H120-S123 WeakPolarHBondContact O-CB 3.11Å; H120-S123 PolarHBondContact O-N 2.79Å; H120-S123 VanDerWaalsContact O-N 3.11Å; V121-S123 PolarHBondContact O-N 2.77Å |
| 124 | I | 91.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -91.5 | -42.5 | 170.2 | -65.4 | 172.9 | 0 | 0 | 0 | 110.3 | F76 L80 L83 L99 H120 V121 N122 V126 H127 F129 F143 | F76-I124 HydrophobicContact CE1-CD1 3.69Å; F76-I124 HydrophobicContact CZ-CD1 4.16Å; L80-I124 HydrophobicContact CD1-CG1 3.89Å; L83-I124 HydrophobicContact CD2-CB 4.41Å; L83-I124 HydrophobicContact CD2-CG1 4.11Å; L83-I124 HydrophobicContact CD2-CG2 3.9Å; L99-I124 HydrophobicContact CD1-CD1 3.79Å; L99-I124 HydrophobicContact CD1-CG2 4.48Å; H120-I124 WeakPolarHBondContact O-CG1 3.19Å; H120-I124 PolarHBondContact O-N 3.06Å; V121-I124 WeakPolarHBondContact O-CA 3.49Å; V121-I124 WeakPolarHBondContact O-CB 3.39Å; V121-I124 PolarHBondContact O-N 2.89Å; N122-I124 PolarHBondContact O-N 3.18Å; I124-V126 VanDerWaalsContact C-N 3.32Å; I124-V126 PolarHBondContact O-N 3.32Å; I124-H127 WeakPolarHBondContact O-CB 3.45Å; I124-H127 PolarHBondContact O-N 3.01Å; I124-F129 HydrophobicContact CG2-CZ 4.44Å; I124-F143 HydrophobicContact CG2-CE1 3.81Å; I124-F143 HydrophobicContact CG2-CZ 4.31Å |
| 125 | I | 93.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.7 | -46.3 | 176.5 | -67.1 | 169 | 0 | 0 | 0 | 111.1 | V121 N122 H127 Y140 F143 L144 L147 F159 A168 L169 E172 | V121-I125 HydrophobicContact CG1-CD1 4.15Å; V121-I125 WeakPolarHBondContact O-CG1 3.33Å; V121-I125 PolarHBondContact O-N 3.44Å; N122-I125 PolarHBondContact O-N 3Å; I125-H127 PolarHBondContact O-N 2.71Å; I125-Y140 PolarHBondContact O-OH 3.16Å; I125-F143 HydrophobicContact CG1-CE1 4.43Å; I125-L144 HydrophobicContact CB-CD2 4.38Å; I125-L144 HydrophobicContact CG1-CD2 3.85Å; I125-L144 HydrophobicContact CG2-CD2 4.03Å; I125-L147 HydrophobicContact CD1-CD1 3.89Å; I125-L147 HydrophobicContact CG1-CD1 4.16Å; I125-F159 HydrophobicContact CD1-CD1 4.07Å; I125-F159 HydrophobicContact CD1-CE1 4.04Å; I125-A168 HydrophobicContact CG2-CB 4.11Å; I125-L169 HydrophobicContact CD1-CB 4.07Å; I125-L169 HydrophobicContact CD1-CD1 4.23Å; I125-E172 HydrophobicContact CG2-CB 4.04Å; I125-E172 HydrophobicContact CG2-CG 4Å |
| 126 | V | 91.8 | Very high | 89.1 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 40% | 0.4 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 13 | -178.9 | -168.3 | 0 | 0 | 0 | 0 | 111.9 | N122 I124 A168 E172 | N122-V126 WeakPolarHBondContact O-CG2 3.47Å; N122-V126 PolarHBondContact O-N 3.17Å; I124-V126 VanDerWaalsContact C-N 3.32Å; I124-V126 PolarHBondContact O-N 3.32Å; V126-A168 HydrophobicContact CG2-CB 3.78Å; V126-E172 HydrophobicContact CG2-CG 4.14Å |
| 127 | H | 90.1 | Very high | 89.3 | Confident | 45 Ų | 45 | 55.7 Ų | 55.7 | 21% | 0.208 | 29% | 0.293 | C | S | . | . | trans | -71.8 | 140.9 | 173.3 | -177.1 | 80.1 | 0 | 0 | 0 | 110.9 | L83 I124 I125 F129 | L83-H127 HydrophobicContact CD2-CB 4.35Å; L83-H127 PolarHBondContact O-CE1 2.8Å; I124-H127 WeakPolarHBondContact O-CB 3.45Å; I124-H127 PolarHBondContact O-N 3.01Å; I125-H127 PolarHBondContact O-N 2.71Å; H127-F129 HydrophobicContact CB-CD2 4.3Å; H127-F129 HydrophobicContact CB-CE2 3.73Å; H127-F129 HydrophobicContact CB-CZ 4.14Å; H127-F129 AromaticContact CD2-CD1 3.94Å; H127-F129 AromaticContact CD2-CD2 3.9Å; H127-F129 AromaticContact CD2-CE1 3.9Å; H127-F129 AromaticContact CD2-CE2 3.82Å; H127-F129 AromaticContact CD2-CG 3.94Å; H127-F129 AromaticContact CD2-CZ 3.83Å; H127-F129 WeakPolarHBondContact O-CD2 3.46Å; H127-F129 PolarHBondContact O-N 3.43Å; H127-F129 VanDerWaalsContact O-N 3.16Å | ||
| 128 | K | 88.4 | Confident | 89.6 | Confident | 186 Ų | 186 | 55 Ų | 55 | 81% | 0.809 | 29% | 0.291 | S | S | * | . | trans | -87.8 | 82.6 | 179.9 | -66.7 | -160.7 | 172.6 | -157.6 | 0 | 111 | ||||
| 129 | F | 89.1 | Confident | 90.2 | Very high | 19 Ų | 19 | 54.7 Ų | 54.7 | 8% | 0.083 | 29% | 0.285 | C | S | . | . | trans | -64.9 | 156.9 | 170.4 | -62.6 | -88 | 0 | 0 | 0 | 111.9 | L83 L96 I124 H127 F131 I136 Y140 | L83-F129 HydrophobicContact CD1-CE1 3.94Å; L83-F129 HydrophobicContact CD1-CZ 4.43Å; L83-F129 HydrophobicContact CD2-CE1 4.29Å; L83-F129 HydrophobicContact CD2-CZ 3.96Å; L83-F129 HydrophobicContact CG-CE1 4.47Å; L96-F129 HydrophobicContact CD1-CD1 4.17Å; L96-F129 HydrophobicContact CD1-CE1 3.68Å; L96-F129 HydrophobicContact CD1-CZ 4.29Å; L96-F129 HydrophobicContact CD2-CE1 3.98Å; L96-F129 HydrophobicContact CD2-CZ 3.82Å; L96-F129 HydrophobicContact CG-CE1 4.02Å; L96-F129 HydrophobicContact CG-CZ 4.37Å; I124-F129 HydrophobicContact CG2-CZ 4.44Å; H127-F129 HydrophobicContact CB-CD2 4.3Å; H127-F129 HydrophobicContact CB-CE2 3.73Å; H127-F129 HydrophobicContact CB-CZ 4.14Å; H127-F129 AromaticContact CD2-CD1 3.94Å; H127-F129 AromaticContact CD2-CD2 3.9Å; H127-F129 AromaticContact CD2-CE1 3.9Å; H127-F129 AromaticContact CD2-CE2 3.82Å; H127-F129 AromaticContact CD2-CG 3.94Å; H127-F129 AromaticContact CD2-CZ 3.83Å; H127-F129 WeakPolarHBondContact O-CD2 3.46Å; H127-F129 PolarHBondContact O-N 3.43Å; H127-F129 VanDerWaalsContact O-N 3.16Å; F129-F131 HydrophobicContact CB-CD1 4.24Å; F129-F131 HydrophobicContact CB-CE1 3.82Å; F129-F131 HydrophobicContact CB-CE2 4.21Å; F129-F131 HydrophobicContact CB-CZ 3.81Å; F129-F131 HydrophobicContact CD2-CE1 4.49Å; F129-F131 HydrophobicContact CD2-CZ 4.08Å; F129-F131 HydrophobicContact CG-CE1 4.42Å; F129-F131 HydrophobicContact CG-CZ 4.34Å; F129-F131 PolarHBondContact O-N 3.36Å; F129-I136 HydrophobicContact CB-CG2 3.98Å; F129-I136 HydrophobicContact CD1-CG2 3.74Å; F129-I136 HydrophobicContact CG-CG2 4.19Å; F129-Y140 AromaticContact CD2-CD2 3.63Å; F129-Y140 HydrophobicContact CD2-CD2 3.63Å; F129-Y140 AromaticContact CD2-CE2 3.77Å; F129-Y140 HydrophobicContact CD2-CE2 3.77Å; F129-Y140 HydrophobicContact CD2-CG 4.34Å; F129-Y140 AromaticContact CE2-CD2 3.35Å; F129-Y140 HydrophobicContact CE2-CD2 3.35Å; F129-Y140 AromaticContact CE2-CE2 3.46Å; F129-Y140 HydrophobicContact CE2-CE2 3.46Å; F129-Y140 VanDerWaalsContact CE2-CE2 3.46Å; F129-Y140 HydrophobicContact CE2-CG 4.4Å; F129-Y140 HydrophobicContact CG-CD2 4.49Å; F129-Y140 AromaticContact CZ-CD2 3.98Å; F129-Y140 HydrophobicContact CZ-CD2 3.98Å; F129-Y140 HydrophobicContact CZ-CE2 4.41Å | ||
| 130 | D | 87.3 | Confident | 90.7 | Very high | 103 Ų | 103 | 50.6 Ų | 50.6 | 55% | 0.551 | 26% | 0.263 | S | S | * | . | trans | -86.9 | 91.6 | 168.8 | -169.3 | -6.2 | 0 | 0 | 0 | 109.5 | S132 D133 | D130-S132 PolarHBondContact O-N 2.76Å; D130-S132 WeakPolarHBondContact OD1-CB 3.41Å; D130-S132 PolarHBondContact OD1-N 2.79Å; D130-S132 VanDerWaalsContact OD1-N 3.11Å; D130-S132 PolarHBondContact OD1-OG 2.72Å; D130-D133 PolarHBondContact O-N 2.72Å | ||
| 131 | F | 89.3 | Confident | 91.1 | Very high | 70 Ų | 70 | 49.7 Ų | 49.7 | 31% | 0.307 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 6.1 | 178.5 | -64.7 | -57.5 | 0 | 0 | 0 | 114 | F129 D133 M137 Y140 F176 | F129-F131 HydrophobicContact CB-CD1 4.24Å; F129-F131 HydrophobicContact CB-CE1 3.82Å; F129-F131 HydrophobicContact CB-CE2 4.21Å; F129-F131 HydrophobicContact CB-CZ 3.81Å; F129-F131 HydrophobicContact CD2-CE1 4.49Å; F129-F131 HydrophobicContact CD2-CZ 4.08Å; F129-F131 HydrophobicContact CG-CE1 4.42Å; F129-F131 HydrophobicContact CG-CZ 4.34Å; F129-F131 PolarHBondContact O-N 3.36Å; F131-D133 PolarHBondContact O-N 2.76Å; F131-M137 HydrophobicContact CB-CE 3.67Å; F131-M137 HydrophobicContact CD1-CB 4.28Å; F131-M137 HydrophobicContact CD1-CE 3.57Å; F131-M137 HydrophobicContact CD1-SD 3.64Å; F131-M137 HydrophobicContact CE1-CE 4.37Å; F131-M137 HydrophobicContact CE1-SD 3.95Å; F131-M137 HydrophobicContact CG-CE 3.73Å; F131-M137 HydrophobicContact CG-SD 4.37Å; F131-Y140 AromaticContact CE1-CD1 3.58Å; F131-Y140 HydrophobicContact CE1-CD1 3.58Å; F131-Y140 HydrophobicContact CE1-CE1 4.09Å; F131-Y140 AromaticContact CE1-CG 3.91Å; F131-Y140 HydrophobicContact CE1-CG 3.91Å; F131-Y140 AromaticContact CZ-CD1 3.69Å; F131-Y140 HydrophobicContact CZ-CD1 3.69Å; F131-Y140 AromaticContact CZ-CE1 3.69Å; F131-Y140 HydrophobicContact CZ-CE1 3.69Å; F131-Y140 HydrophobicContact CZ-CG 4.14Å; F131-F176 HydrophobicContact CD2-CE1 4.32Å; F131-F176 HydrophobicContact CD2-CZ 4.21Å; F131-F176 HydrophobicContact CE1-CZ 4.4Å; F131-F176 HydrophobicContact CE2-CE1 4.35Å; F131-F176 AromaticContact CE2-CZ 3.78Å; F131-F176 HydrophobicContact CE2-CZ 3.78Å; F131-F176 AromaticContact CZ-CZ 3.88Å; F131-F176 HydrophobicContact CZ-CZ 3.88Å |
| 132 | S | 88.4 | Confident | 91.3 | Very high | 108 Ų | 108 | 51.9 Ų | 51.9 | 76% | 0.755 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -13.6 | 163.8 | -38.8 | 0 | 0 | 0 | 0 | 112.1 | D130 | D130-S132 PolarHBondContact O-N 2.76Å; D130-S132 WeakPolarHBondContact OD1-CB 3.41Å; D130-S132 PolarHBondContact OD1-N 2.79Å; D130-S132 VanDerWaalsContact OD1-N 3.11Å; D130-S132 PolarHBondContact OD1-OG 2.72Å |
| 133 | D | 89.2 | Confident | 91.5 | Very high | 30 Ų | 30 | 51 Ų | 51 | 16% | 0.16 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -104.6 | 107.2 | 177.2 | -162.1 | -35.6 | 0 | 0 | 0 | 110.7 | R89 D130 F131 E135 I136 M137 | R89-D133 WeakPolarHBondContact CD-OD2 3.37Å; R89-D133 WeakPolarHBondContact CG-OD2 3.47Å; R89-D133 IonicContact CZ-OD1 3.5Å; R89-D133 IonicContact CZ-OD2 2.71Å; R89-D133 VanDerWaalsContact CZ-OD2 3.23Å; R89-D133 IonicContact NE-OD1 2.75Å; R89-D133 IonicContact NE-OD2 2.75Å; R89-D133 PolarHBondContact NE-OD2 3.15Å; R89-D133 IonicContact NH1-OD1 3.62Å; R89-D133 PolarHBondContact NH1-OD1 2.74Å; R89-D133 IonicContact NH1-OD2 3.12Å; R89-D133 PolarHBondContact NH1-OD2 3.43Å; R89-D133 IonicContact NH2-OD1 3.65Å; D130-D133 PolarHBondContact O-N 2.72Å; F131-D133 PolarHBondContact O-N 2.76Å; D133-E135 PolarHBondContact O-N 3.04Å; D133-E135 WeakPolarHBondContact OD1-CB 3.41Å; D133-E135 PolarHBondContact OD1-N 2.99Å; D133-I136 HydrophobicContact CB-CB 4.21Å; D133-I136 HydrophobicContact CB-CD1 3.88Å; D133-I136 HydrophobicContact CB-CG1 3.93Å; D133-I136 PolarHBondContact O-N 2.89Å; D133-M137 PolarHBondContact O-N 3.19Å |
| 134 | E | 89 | Confident | 91.8 | Very high | 160 Ų | 160 | 49.3 Ų | 49.3 | 75% | 0.748 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -58.1 | -30.3 | -178.4 | -63.3 | 177 | 157.8 | 0 | 0 | 112.7 | M137 A138 | E134-M137 PolarHBondContact O-N 3.49Å; E134-A138 WeakPolarHBondContact O-CB 3.38Å; E134-A138 PolarHBondContact O-N 3.11Å |
| 135 | E | 90.6 | Very high | 92.1 | Very high | 64 Ų | 64 | 53.1 Ų | 53.1 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68 | -42.1 | 176.3 | -174.2 | 178.3 | -156.1 | 0 | 0 | 110.9 | R89 V93 D133 M137 A138 Y139 | R89-E135 IonicContact CZ-OE2 2.78Å; R89-E135 IonicContact NE-OE2 2.68Å; R89-E135 PolarHBondContact NE-OE2 3.2Å; R89-E135 IonicContact NH2-OE2 3.47Å; R89-E135 PolarHBondContact NH2-OE2 3.1Å; V93-E135 HydrophobicContact CG1-CG 4.27Å; V93-E135 HydrophobicContact CG2-CG 3.87Å; D133-E135 PolarHBondContact O-N 3.04Å; D133-E135 WeakPolarHBondContact OD1-CB 3.41Å; D133-E135 PolarHBondContact OD1-N 2.99Å; E135-M137 VanDerWaalsContact C-N 3.34Å; E135-A138 PolarHBondContact O-N 3.17Å; E135-Y139 HydrophobicContact CG-CD2 3.8Å; E135-Y139 HydrophobicContact CG-CE2 3.59Å; E135-Y139 WeakPolarHBondContact O-CD2 3.3Å; E135-Y139 PolarHBondContact O-N 2.94Å; E135-Y139 VanDerWaalsContact O-N 3.12Å |
| 136 | I | 92.2 | Very high | 92.2 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 6% | 0.056 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 177.4 | -59.2 | -179.4 | 0 | 0 | 0 | 110.1 | R89 V93 L96 F129 D133 Y140 | R89-I136 HydrophobicContact CG-CD1 4.39Å; V93-I136 HydrophobicContact CG2-CG1 3.87Å; L96-I136 HydrophobicContact CD1-CG2 4.21Å; F129-I136 HydrophobicContact CB-CG2 3.98Å; F129-I136 HydrophobicContact CD1-CG2 3.74Å; F129-I136 HydrophobicContact CG-CG2 4.19Å; D133-I136 HydrophobicContact CB-CB 4.21Å; D133-I136 HydrophobicContact CB-CD1 3.88Å; D133-I136 HydrophobicContact CB-CG1 3.93Å; D133-I136 PolarHBondContact O-N 2.89Å; I136-Y140 WeakPolarHBondContact O-CB 3.43Å; I136-Y140 PolarHBondContact O-N 3.05Å |
| 137 | M | 92.4 | Very high | 92.4 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 3% | 0.034 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58 | -52.6 | 172.5 | -178.4 | 67 | 83.2 | 0 | 0 | 111.5 | F131 D133 E134 E135 Y139 Y140 I141 F176 V184 | F131-M137 HydrophobicContact CB-CE 3.67Å; F131-M137 HydrophobicContact CD1-CB 4.28Å; F131-M137 HydrophobicContact CD1-CE 3.57Å; F131-M137 HydrophobicContact CD1-SD 3.64Å; F131-M137 HydrophobicContact CE1-CE 4.37Å; F131-M137 HydrophobicContact CE1-SD 3.95Å; F131-M137 HydrophobicContact CG-CE 3.73Å; F131-M137 HydrophobicContact CG-SD 4.37Å; D133-M137 PolarHBondContact O-N 3.19Å; E134-M137 PolarHBondContact O-N 3.49Å; E135-M137 VanDerWaalsContact C-N 3.34Å; M137-Y139 PolarHBondContact O-N 3.5Å; M137-Y140 PolarHBondContact O-N 3.27Å; M137-I141 HydrophobicContact CG-CG1 4.18Å; M137-I141 WeakPolarHBondContact O-CB 3.4Å; M137-I141 WeakPolarHBondContact O-CG1 3.5Å; M137-I141 PolarHBondContact O-N 3.32Å; M137-I141 HydrophobicContact SD-CD1 4.21Å; M137-I141 HydrophobicContact SD-CG1 3.74Å; M137-F176 HydrophobicContact CE-CD1 3.7Å; M137-F176 HydrophobicContact CE-CE1 3.54Å; M137-F176 HydrophobicContact SD-CD1 3.92Å; M137-F176 HydrophobicContact SD-CE1 3.9Å; M137-F176 HydrophobicContact SD-CZ 4.47Å; M137-V184 HydrophobicContact CG-CG2 4.3Å |
| 138 | A | 92.3 | Very high | 92.7 | Very high | 46 Ų | 46 | 48.5 Ų | 48.5 | 38% | 0.38 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59 | -47.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E134 E135 S142 | E134-A138 WeakPolarHBondContact O-CB 3.38Å; E134-A138 PolarHBondContact O-N 3.11Å; E135-A138 PolarHBondContact O-N 3.17Å; A138-S142 VanDerWaalsContact O-CB 3.27Å; A138-S142 WeakPolarHBondContact O-CB 3.47Å; A138-S142 PolarHBondContact O-N 3.19Å |
| 139 | Y | 94.4 | Very high | 93 | Very high | 68 Ų | 68 | 44.6 Ų | 44.6 | 27% | 0.267 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.6 | -34.1 | 177 | -73.9 | -68.7 | 0 | 0 | 0 | 113.2 | V93 Q97 E135 M137 F143 | V93-Y139 HydrophobicContact CB-CD2 4.49Å; V93-Y139 HydrophobicContact CG1-CD2 3.7Å; V93-Y139 HydrophobicContact CG1-CE2 3.51Å; V93-Y139 HydrophobicContact CG2-CD2 4.43Å; Q97-Y139 HydrophobicContact CB-CD1 3.98Å; Q97-Y139 HydrophobicContact CB-CE1 3.88Å; Q97-Y139 HydrophobicContact CG-CD1 4.34Å; Q97-Y139 HydrophobicContact CG-CE1 3.84Å; E135-Y139 HydrophobicContact CG-CD2 3.8Å; E135-Y139 HydrophobicContact CG-CE2 3.59Å; E135-Y139 WeakPolarHBondContact O-CD2 3.3Å; E135-Y139 PolarHBondContact O-N 2.94Å; E135-Y139 VanDerWaalsContact O-N 3.12Å; M137-Y139 PolarHBondContact O-N 3.5Å; Y139-F143 WeakPolarHBondContact O-CB 3.39Å; Y139-F143 PolarHBondContact O-N 3.11Å |
| 140 | Y | 95.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -47.5 | 175.4 | 174 | -100.7 | 0 | 0 | 0 | 111.9 | I125 F129 F131 I136 M137 S142 F143 L144 F176 | I125-Y140 PolarHBondContact O-OH 3.16Å; F129-Y140 AromaticContact CD2-CD2 3.63Å; F129-Y140 HydrophobicContact CD2-CD2 3.63Å; F129-Y140 AromaticContact CD2-CE2 3.77Å; F129-Y140 HydrophobicContact CD2-CE2 3.77Å; F129-Y140 HydrophobicContact CD2-CG 4.34Å; F129-Y140 AromaticContact CE2-CD2 3.35Å; F129-Y140 HydrophobicContact CE2-CD2 3.35Å; F129-Y140 AromaticContact CE2-CE2 3.46Å; F129-Y140 HydrophobicContact CE2-CE2 3.46Å; F129-Y140 VanDerWaalsContact CE2-CE2 3.46Å; F129-Y140 HydrophobicContact CE2-CG 4.4Å; F129-Y140 HydrophobicContact CG-CD2 4.49Å; F129-Y140 AromaticContact CZ-CD2 3.98Å; F129-Y140 HydrophobicContact CZ-CD2 3.98Å; F129-Y140 HydrophobicContact CZ-CE2 4.41Å; F131-Y140 AromaticContact CE1-CD1 3.58Å; F131-Y140 HydrophobicContact CE1-CD1 3.58Å; F131-Y140 HydrophobicContact CE1-CE1 4.09Å; F131-Y140 AromaticContact CE1-CG 3.91Å; F131-Y140 HydrophobicContact CE1-CG 3.91Å; F131-Y140 AromaticContact CZ-CD1 3.69Å; F131-Y140 HydrophobicContact CZ-CD1 3.69Å; F131-Y140 AromaticContact CZ-CE1 3.69Å; F131-Y140 HydrophobicContact CZ-CE1 3.69Å; F131-Y140 HydrophobicContact CZ-CG 4.14Å; I136-Y140 WeakPolarHBondContact O-CB 3.43Å; I136-Y140 PolarHBondContact O-N 3.05Å; M137-Y140 PolarHBondContact O-N 3.27Å; Y140-S142 VanDerWaalsContact C-N 3.34Å; Y140-S142 PolarHBondContact O-N 3.37Å; Y140-F143 WeakPolarHBondContact O-CB 3.41Å; Y140-F143 PolarHBondContact O-N 3.44Å; Y140-L144 HydrophobicContact CD1-CD1 4.35Å; Y140-L144 HydrophobicContact CD1-CG 4.46Å; Y140-L144 HydrophobicContact CE1-CD1 3.63Å; Y140-L144 HydrophobicContact CE1-CG 4.09Å; Y140-L144 HydrophobicContact CE2-CD2 4.2Å; Y140-L144 HydrophobicContact CE2-CG 4.48Å; Y140-L144 WeakPolarHBondContact O-CG 3.4Å; Y140-L144 PolarHBondContact O-N 2.97Å; Y140-F176 AromaticContact CE1-CE2 3.94Å; Y140-F176 HydrophobicContact CE1-CE2 3.94Å; Y140-F176 HydrophobicContact CE1-CZ 4.38Å |
| 141 | I | 95.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.9 | -38 | 178.4 | -66 | -66.9 | 0 | 0 | 0 | 111.1 | M137 L144 K145 F176 V184 A187 | M137-I141 HydrophobicContact CG-CG1 4.18Å; M137-I141 WeakPolarHBondContact O-CB 3.4Å; M137-I141 WeakPolarHBondContact O-CG1 3.5Å; M137-I141 PolarHBondContact O-N 3.32Å; M137-I141 HydrophobicContact SD-CD1 4.21Å; M137-I141 HydrophobicContact SD-CG1 3.74Å; I141-L144 PolarHBondContact O-N 3.49Å; I141-K145 WeakPolarHBondContact O-CB 3.44Å; I141-K145 PolarHBondContact O-N 2.86Å; I141-F176 HydrophobicContact CD1-CB 4.14Å; I141-F176 HydrophobicContact CD1-CD2 3.66Å; I141-F176 HydrophobicContact CD1-CE2 4.27Å; I141-F176 HydrophobicContact CD1-CG 3.91Å; I141-V184 HydrophobicContact CD1-CG1 4.19Å; I141-V184 HydrophobicContact CG1-CG1 4.05Å; I141-V184 HydrophobicContact CG1-CG2 4.38Å; I141-V184 HydrophobicContact CG2-CG1 4.35Å; I141-V184 HydrophobicContact CG2-CG2 4.5Å; I141-A187 HydrophobicContact CG2-CB 3.4Å |
| 142 | S | 95.3 | Very high | 93.5 | Very high | 47 Ų | 47 | 41.7 Ų | 41.7 | 33% | 0.329 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60 | -46.4 | 171.5 | -167.2 | 0 | 0 | 0 | 0 | 111.6 | N100 A138 Y140 L144 K145 T146 | N100-S142 PolarHBondContact OD1-O 3.23Å; A138-S142 VanDerWaalsContact O-CB 3.27Å; A138-S142 WeakPolarHBondContact O-CB 3.47Å; A138-S142 PolarHBondContact O-N 3.19Å; Y140-S142 VanDerWaalsContact C-N 3.34Å; Y140-S142 PolarHBondContact O-N 3.37Å; S142-L144 PolarHBondContact O-N 3.31Å; S142-K145 WeakPolarHBondContact O-CB 3.15Å; S142-K145 PolarHBondContact O-N 3.4Å; S142-K145 VanDerWaalsContact O-N 3.09Å; S142-T146 PolarHBondContact O-N 3.02Å; S142-T146 PolarHBondContact O-OG1 2.86Å |
| 143 | F | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.4 | -43.4 | 175.2 | 175.5 | -113 | 0 | 0 | 0 | 112.8 | L96 L99 N100 F103 V121 I124 I125 Y139 Y140 K145 T146 L147 | L96-F143 HydrophobicContact CD2-CD1 4.4Å; L99-F143 HydrophobicContact CB-CD2 4.14Å; L99-F143 HydrophobicContact CB-CE2 3.83Å; N100-F143 WeakPolarHBondContact OD1-CA 3.44Å; N100-F143 PolarHBondContact OD1-N 2.83Å; F103-F143 AromaticContact CD2-CE2 3.92Å; F103-F143 HydrophobicContact CD2-CE2 3.92Å; F103-F143 HydrophobicContact CE2-CE2 4.34Å; V121-F143 HydrophobicContact CG1-CZ 4.29Å; I124-F143 HydrophobicContact CG2-CE1 3.81Å; I124-F143 HydrophobicContact CG2-CZ 4.31Å; I125-F143 HydrophobicContact CG1-CE1 4.43Å; Y139-F143 WeakPolarHBondContact O-CB 3.39Å; Y139-F143 PolarHBondContact O-N 3.11Å; Y140-F143 WeakPolarHBondContact O-CB 3.41Å; Y140-F143 PolarHBondContact O-N 3.44Å; F143-K145 VanDerWaalsContact C-N 3.34Å; F143-K145 PolarHBondContact O-N 3.23Å; F143-T146 PolarHBondContact O-N 2.95Å; F143-L147 HydrophobicContact CD1-CD1 4.21Å; F143-L147 HydrophobicContact CE1-CD1 3.72Å; F143-L147 HydrophobicContact CE2-CD1 4.06Å; F143-L147 HydrophobicContact CE2-CD2 4.37Å; F143-L147 HydrophobicContact CE2-CG 4.21Å; F143-L147 HydrophobicContact CZ-CD1 3.65Å; F143-L147 HydrophobicContact CZ-CG 4.3Å; F143-L147 WeakPolarHBondContact O-CG 3.1Å; F143-L147 PolarHBondContact O-N 3.26Å |
| 144 | L | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.1 | -39 | 173.6 | -60.2 | -165.6 | 0 | 0 | 0 | 112.1 | I125 Y140 I141 S142 L147 S148 L169 A173 I191 | I125-L144 HydrophobicContact CB-CD2 4.38Å; I125-L144 HydrophobicContact CG1-CD2 3.85Å; I125-L144 HydrophobicContact CG2-CD2 4.03Å; Y140-L144 HydrophobicContact CD1-CD1 4.35Å; Y140-L144 HydrophobicContact CD1-CG 4.46Å; Y140-L144 HydrophobicContact CE1-CD1 3.63Å; Y140-L144 HydrophobicContact CE1-CG 4.09Å; Y140-L144 HydrophobicContact CE2-CD2 4.2Å; Y140-L144 HydrophobicContact CE2-CG 4.48Å; Y140-L144 WeakPolarHBondContact O-CG 3.4Å; Y140-L144 PolarHBondContact O-N 2.97Å; I141-L144 PolarHBondContact O-N 3.49Å; S142-L144 PolarHBondContact O-N 3.31Å; L144-L147 PolarHBondContact O-N 3.25Å; L144-S148 PolarHBondContact O-N 2.92Å; L144-L169 HydrophobicContact CB-CD1 4.02Å; L144-L169 HydrophobicContact CD2-CD1 3.94Å; L144-L169 HydrophobicContact CG-CD1 4.45Å; L144-A173 HydrophobicContact CD1-CB 3.94Å; L144-I191 HydrophobicContact CB-CD1 3.71Å |
| 145 | K | 96.4 | Very high | 93.7 | Very high | 80 Ų | 80 | 37 Ų | 37 | 35% | 0.348 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.1 | -48.5 | 176.3 | -172.6 | -170.1 | 177.5 | -169.5 | 0 | 111 | I141 S142 F143 L147 S148 L149 A187 T190 I191 | I141-K145 WeakPolarHBondContact O-CB 3.44Å; I141-K145 PolarHBondContact O-N 2.86Å; S142-K145 WeakPolarHBondContact O-CB 3.15Å; S142-K145 PolarHBondContact O-N 3.4Å; S142-K145 VanDerWaalsContact O-N 3.09Å; F143-K145 VanDerWaalsContact C-N 3.34Å; F143-K145 PolarHBondContact O-N 3.23Å; K145-L147 VanDerWaalsContact C-N 3.35Å; K145-L147 PolarHBondContact O-N 3.01Å; K145-S148 WeakPolarHBondContact O-CB 3.39Å; K145-S148 PolarHBondContact O-N 3.19Å; K145-S148 PolarHBondContact O-OG 3.01Å; K145-L149 WeakPolarHBondContact O-CG 3.39Å; K145-L149 PolarHBondContact O-N 3.38Å; K145-L149 VanDerWaalsContact O-N 3.11Å; K145-A187 HydrophobicContact CD-CB 4.49Å; K145-T190 HydrophobicContact CG-CG2 4.35Å; K145-I191 HydrophobicContact CB-CD1 4.4Å; K145-I191 HydrophobicContact CB-CG1 4.34Å |
| 146 | T | 95.9 | Very high | 93.8 | Very high | 12 Ų | 12 | 34 Ų | 34 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.8 | -42.4 | 178 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | N100 F103 E104 S142 F143 S148 L149 | N100-T146 VanDerWaalsContact OD1-CB 3.27Å; N100-T146 WeakPolarHBondContact OD1-CB 3.38Å; N100-T146 PolarHBondContact OD1-OG1 2.8Å; F103-T146 HydrophobicContact CB-CG2 4.15Å; E104-T146 HydrophobicContact CB-CG2 3.89Å; S142-T146 PolarHBondContact O-N 3.02Å; S142-T146 PolarHBondContact O-OG1 2.86Å; F143-T146 PolarHBondContact O-N 2.95Å; T146-S148 VanDerWaalsContact C-N 3.34Å; T146-S148 PolarHBondContact O-N 3.34Å; T146-L149 PolarHBondContact O-N 3.36Å |
| 147 | L | 95.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64 | -38.3 | 173.3 | -67.4 | 176.5 | 0 | 0 | 0 | 112.3 | F103 V121 I125 F143 L144 K145 L149 K150 F159 L169 | F103-L147 HydrophobicContact CB-CD2 4.23Å; F103-L147 HydrophobicContact CD1-CD2 3.84Å; F103-L147 HydrophobicContact CD2-CD2 4.16Å; F103-L147 HydrophobicContact CE1-CD2 4.25Å; F103-L147 HydrophobicContact CG-CD2 3.8Å; V121-L147 HydrophobicContact CG1-CD1 3.59Å; V121-L147 HydrophobicContact CG1-CD2 4.06Å; I125-L147 HydrophobicContact CD1-CD1 3.89Å; I125-L147 HydrophobicContact CG1-CD1 4.16Å; F143-L147 HydrophobicContact CD1-CD1 4.21Å; F143-L147 HydrophobicContact CE1-CD1 3.72Å; F143-L147 HydrophobicContact CE2-CD1 4.06Å; F143-L147 HydrophobicContact CE2-CD2 4.37Å; F143-L147 HydrophobicContact CE2-CG 4.21Å; F143-L147 HydrophobicContact CZ-CD1 3.65Å; F143-L147 HydrophobicContact CZ-CG 4.3Å; F143-L147 WeakPolarHBondContact O-CG 3.1Å; F143-L147 PolarHBondContact O-N 3.26Å; L144-L147 PolarHBondContact O-N 3.25Å; K145-L147 VanDerWaalsContact C-N 3.35Å; K145-L147 PolarHBondContact O-N 3.01Å; L147-L149 VanDerWaalsContact C-N 3.25Å; L147-L149 PolarHBondContact O-N 2.9Å; L147-K150 PolarHBondContact O-N 3.42Å; L147-K150 VanDerWaalsContact O-N 3.14Å; L147-F159 HydrophobicContact CB-CZ 4.35Å; L147-F159 HydrophobicContact CD1-CE1 4.26Å; L147-F159 HydrophobicContact CD2-CZ 4.29Å; L147-L169 HydrophobicContact CB-CD1 4.16Å; L147-L169 HydrophobicContact CB-CD2 4.16Å |
| 148 | S | 96.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.3 | -28.3 | 176.8 | 82.2 | 0 | 0 | 0 | 0 | 113.5 | L144 K145 T146 K150 L151 N194 | L144-S148 PolarHBondContact O-N 2.92Å; K145-S148 WeakPolarHBondContact O-CB 3.39Å; K145-S148 PolarHBondContact O-N 3.19Å; K145-S148 PolarHBondContact O-OG 3.01Å; T146-S148 VanDerWaalsContact C-N 3.34Å; T146-S148 PolarHBondContact O-N 3.34Å; S148-K150 VanDerWaalsContact C-N 3.26Å; S148-K150 PolarHBondContact O-N 2.93Å; S148-L151 WeakPolarHBondContact O-CB 3.49Å; S148-L151 PolarHBondContact O-N 2.9Å; S148-N194 PolarHBondContact OG-ND2 2.97Å |
| 149 | L | 94.4 | Very high | 93.6 | Very high | 103 Ų | 103 | 39.8 Ų | 39.8 | 54% | 0.539 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -10.7 | 177 | -68.7 | 166.8 | 0 | 0 | 0 | 113.2 | K145 T146 L147 N194 | K145-L149 WeakPolarHBondContact O-CG 3.39Å; K145-L149 PolarHBondContact O-N 3.38Å; K145-L149 VanDerWaalsContact O-N 3.11Å; T146-L149 PolarHBondContact O-N 3.36Å; L147-L149 VanDerWaalsContact C-N 3.25Å; L147-L149 PolarHBondContact O-N 2.9Å; L149-N194 WeakPolarHBondContact CD2-ND2 3.32Å |
| 150 | K | 92.6 | Very high | 93.6 | Very high | 56 Ų | 56 | 37 Ų | 37 | 24% | 0.243 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 13.8 | 174.3 | -55.6 | -80 | 174.2 | 155.3 | 0 | 111.6 | F103 E104 I106 L112 L147 S148 T155 | F103-K150 WeakPolarHBondContact O-CE 3.46Å; F103-K150 PolarHBondContact O-NZ 3.07Å; E104-K150 PolarHBondContact O-NZ 3.35Å; I106-K150 PolarHBondContact O-NZ 3.04Å; L112-K150 HydrophobicContact CD2-CB 4.19Å; L112-K150 HydrophobicContact CD2-CD 4.49Å; L147-K150 PolarHBondContact O-N 3.42Å; L147-K150 VanDerWaalsContact O-N 3.14Å; S148-K150 VanDerWaalsContact C-N 3.26Å; S148-K150 PolarHBondContact O-N 2.93Å; K150-T155 PolarHBondContact O-OG1 3.36Å |
| 151 | L | 93 | Very high | 93.2 | Very high | 24 Ų | 24 | 40.6 Ų | 40.6 | 13% | 0.126 | 20% | 0.202 | C | C | . | . | trans | -80 | 129.4 | 173.6 | -71.7 | 175.1 | 0 | 0 | 0 | 111.6 | S148 T155 F159 L169 V195 V198 | S148-L151 WeakPolarHBondContact O-CB 3.49Å; S148-L151 PolarHBondContact O-N 2.9Å; L151-T155 WeakPolarHBondContact CA-OG1 3.44Å; L151-F159 HydrophobicContact CD2-CD2 3.51Å; L151-F159 HydrophobicContact CD2-CE2 3.8Å; L151-F159 HydrophobicContact CD2-CG 4.36Å; L151-L169 HydrophobicContact CD1-CD2 3.99Å; L151-L169 HydrophobicContact CD2-CD2 4.18Å; L151-L169 HydrophobicContact CG-CD2 4.25Å; L151-V195 HydrophobicContact CD1-CG2 3.64Å; L151-V198 HydrophobicContact CB-CG2 4.06Å | ||
| 152 | N | 90.7 | Very high | 92.7 | Very high | 52 Ų | 52 | 44.6 Ų | 44.6 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | trans | -145.2 | 178.4 | 167.5 | 69.3 | 30.9 | 0 | 0 | 0 | 109.2 | H154 T155 V156 | N152-H154 PolarHBondContact O-N 3.4Å; N152-H154 WeakPolarHBondContact OD1-CA 3.45Å; N152-H154 WeakPolarHBondContact OD1-CB 3.46Å; N152-H154 PolarHBondContact OD1-N 3.07Å; N152-T155 PolarHBondContact N-OG1 3.29Å; N152-T155 PolarHBondContact O-N 3.41Å; N152-T155 PolarHBondContact OD1-N 2.89Å; N152-T155 PolarHBondContact OD1-OG1 2.86Å; N152-V156 WeakPolarHBondContact O-CB 3.26Å; N152-V156 WeakPolarHBondContact O-CG1 2.92Å; N152-V156 PolarHBondContact O-N 2.97Å | ||
| 153 | N | 90.1 | Very high | 92.2 | Very high | 73 Ų | 73 | 50.7 Ų | 50.7 | 39% | 0.39 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -15.8 | -176.4 | -65.5 | 12.7 | 0 | 0 | 0 | 114.1 | V156 H157 D199 | N153-V156 WeakPolarHBondContact O-CG1 3.38Å; N153-H157 PolarHBondContact O-CD2 3.32Å; N153-D199 PolarHBondContact ND2-O 2.98Å; N153-D199 PolarHBondContact OD1-N 2.9Å |
| 154 | H | 90.1 | Very high | 91.7 | Very high | 125 Ų | 125 | 54.9 Ų | 54.9 | 58% | 0.579 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -48.8 | 173.6 | -54 | -54.8 | 0 | 0 | 0 | 112.2 | Y113 N152 V156 H157 | Y113-H154 HydrophobicContact CE1-CB 4.17Å; N152-H154 PolarHBondContact O-N 3.4Å; N152-H154 WeakPolarHBondContact OD1-CA 3.45Å; N152-H154 WeakPolarHBondContact OD1-CB 3.46Å; N152-H154 PolarHBondContact OD1-N 3.07Å; H154-V156 VanDerWaalsContact C-N 3.27Å; H154-V156 PolarHBondContact O-N 3.47Å; H154-H157 PolarHBondContact O-N 2.92Å |
| 155 | T | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -24 | -176.3 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | L112 Y113 L116 K150 L151 N152 H157 F158 F159 | L112-T155 HydrophobicContact CD2-CG2 4.11Å; Y113-T155 HydrophobicContact CD1-CG2 4.12Å; Y113-T155 HydrophobicContact CE1-CG2 3.54Å; L116-T155 HydrophobicContact CD1-CG2 4.33Å; K150-T155 PolarHBondContact O-OG1 3.36Å; L151-T155 WeakPolarHBondContact CA-OG1 3.44Å; N152-T155 PolarHBondContact N-OG1 3.29Å; N152-T155 PolarHBondContact O-N 3.41Å; N152-T155 PolarHBondContact OD1-N 2.89Å; N152-T155 PolarHBondContact OD1-OG1 2.86Å; T155-H157 PolarHBondContact O-N 3.24Å; T155-F158 WeakPolarHBondContact O-CD2 3.28Å; T155-F158 PolarHBondContact O-N 3.41Å; T155-F158 VanDerWaalsContact O-N 3.08Å; T155-F159 WeakPolarHBondContact O-CD2 3.46Å |
| 156 | V | 91.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.9 | -34 | 176.2 | 67.2 | 0 | 0 | 0 | 0 | 113.2 | N152 N153 H154 F158 F159 Y160 V198 N200 M203 | N152-V156 WeakPolarHBondContact O-CB 3.26Å; N152-V156 WeakPolarHBondContact O-CG1 2.92Å; N152-V156 PolarHBondContact O-N 2.97Å; N153-V156 WeakPolarHBondContact O-CG1 3.38Å; H154-V156 VanDerWaalsContact C-N 3.27Å; H154-V156 PolarHBondContact O-N 3.47Å; V156-F158 PolarHBondContact O-N 3.02Å; V156-F159 PolarHBondContact O-N 3.32Å; V156-Y160 PolarHBondContact O-N 2.83Å; V156-V198 HydrophobicContact CB-CG1 4.01Å; V156-V198 HydrophobicContact CG1-CG1 4.03Å; V156-V198 HydrophobicContact CG2-CG1 4.15Å; V156-N200 HydrophobicContact CG1-CB 4.25Å; V156-M203 HydrophobicContact CG2-CG 4.41Å; V156-M203 HydrophobicContact CG2-SD 3.41Å; V156-M203 WeakPolarHBondContact CG2-SD 3.35Å |
| 157 | H | 89.9 | Confident | 90.7 | Very high | 114 Ų | 114 | 56.2 Ų | 56.2 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.9 | -15.1 | -179.8 | -72.4 | -84.8 | 0 | 0 | 0 | 114.1 | N153 H154 T155 N200 | N153-H157 PolarHBondContact O-CD2 3.32Å; H154-H157 PolarHBondContact O-N 2.92Å; T155-H157 PolarHBondContact O-N 3.24Å; H157-N200 PolarHBondContact CE1-ND2 3.32Å; H157-N200 PolarHBondContact NE2-ND2 2.81Å; H157-N200 VanDerWaalsContact NE2-ND2 3.11Å |
| 158 | F | 91.4 | Very high | 90.5 | Very high | 66 Ų | 66 | 56.3 Ų | 56.3 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -83.4 | -20 | 171.3 | -60.8 | -82.8 | 0 | 0 | 0 | 112.8 | Y113 L116 N122 T155 V156 | Y113-F158 HydrophobicContact CD1-CD2 4.46Å; Y113-F158 AromaticContact CD1-CE2 3.56Å; Y113-F158 HydrophobicContact CD1-CE2 3.56Å; Y113-F158 HydrophobicContact CD1-CZ 4.07Å; Y113-F158 HydrophobicContact CE1-CE2 4.18Å; L116-F158 HydrophobicContact CB-CB 3.82Å; L116-F158 HydrophobicContact CB-CD1 3.99Å; L116-F158 HydrophobicContact CB-CD2 4.17Å; L116-F158 HydrophobicContact CB-CG 3.71Å; L116-F158 HydrophobicContact CD1-CB 4.42Å; L116-F158 HydrophobicContact CD1-CD2 4.24Å; L116-F158 HydrophobicContact CD1-CG 4.46Å; N122-F158 PolarHBondContact ND2-O 3Å; T155-F158 WeakPolarHBondContact O-CD2 3.28Å; T155-F158 PolarHBondContact O-N 3.41Å; T155-F158 VanDerWaalsContact O-N 3.08Å; V156-F158 PolarHBondContact O-N 3.02Å |
| 159 | F | 92.6 | Very high | 90.4 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -103.9 | -31.4 | -179.2 | -61 | -79.5 | 0 | 0 | 0 | 113.3 | L116 V121 N122 I125 L147 L151 T155 V156 F167 A168 L169 | L116-F159 HydrophobicContact CD1-CE2 4.05Å; L116-F159 HydrophobicContact CD1-CZ 4.29Å; L116-F159 HydrophobicContact CD2-CE1 4.12Å; L116-F159 HydrophobicContact CD2-CE2 4.05Å; L116-F159 HydrophobicContact CD2-CZ 3.48Å; L116-F159 VanDerWaalsContact CD2-CZ 3.48Å; V121-F159 HydrophobicContact CG1-CE1 4.03Å; N122-F159 WeakPolarHBondContact OD1-CD1 3.39Å; I125-F159 HydrophobicContact CD1-CD1 4.07Å; I125-F159 HydrophobicContact CD1-CE1 4.04Å; L147-F159 HydrophobicContact CB-CZ 4.35Å; L147-F159 HydrophobicContact CD1-CE1 4.26Å; L147-F159 HydrophobicContact CD2-CZ 4.29Å; L151-F159 HydrophobicContact CD2-CD2 3.51Å; L151-F159 HydrophobicContact CD2-CE2 3.8Å; L151-F159 HydrophobicContact CD2-CG 4.36Å; T155-F159 WeakPolarHBondContact O-CD2 3.46Å; V156-F159 PolarHBondContact O-N 3.32Å; F159-F167 HydrophobicContact CB-CD2 4.01Å; F159-F167 HydrophobicContact CB-CE2 3.69Å; F159-F167 WeakPolarHBondContact O-CA 3.27Å; F159-F167 WeakPolarHBondContact O-CD2 3.25Å; F159-A168 PolarHBondContact O-N 2.98Å; F159-L169 HydrophobicContact CB-CB 4.34Å; F159-L169 HydrophobicContact CD1-CB 3.94Å; F159-L169 HydrophobicContact CD1-CD2 4.06Å; F159-L169 HydrophobicContact CE1-CD2 4.18Å; F159-L169 HydrophobicContact CG-CB 4.33Å; F159-L169 HydrophobicContact CG-CD2 4.23Å; F159-L169 HydrophobicContact CZ-CD2 4.44Å |
| 160 | Y | 92.9 | Very high | 90.4 | Very high | 10 Ų | 10 | 51.3 Ų | 51.3 | 4% | 0.039 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 119.8 | 174.7 | 172.5 | -120.2 | 0 | 0 | 0 | 111.3 | V156 E162 F167 H202 M203 Y206 | V156-Y160 PolarHBondContact O-N 2.83Å; Y160-E162 HydrophobicContact CE1-CB 4.09Å; Y160-F167 HydrophobicContact CD2-CB 4.01Å; Y160-F167 HydrophobicContact CD2-CG 4.42Å; Y160-H202 HydrophobicContact CE1-CB 4.11Å; Y160-H202 PolarHBondContact OH-O 3.24Å; Y160-H202 VanDerWaalsContact OH-O 3.07Å; Y160-M203 HydrophobicContact CD1-CB 3.65Å; Y160-M203 HydrophobicContact CD1-CG 4.25Å; Y160-M203 VanDerWaalsContact CE1-CA 3.47Å; Y160-M203 HydrophobicContact CE1-CB 3.95Å; Y160-M203 HydrophobicContact CG-CB 4.11Å; Y160-M203 HydrophobicContact CG-CG 4.2Å; Y160-Y206 HydrophobicContact CD2-CD1 4.31Å; Y160-Y206 AromaticContact CE2-CD1 3.91Å; Y160-Y206 HydrophobicContact CE2-CD1 3.91Å; Y160-Y206 HydrophobicContact CE2-CD2 4.19Å; Y160-Y206 AromaticContact CE2-CG 3.68Å; Y160-Y206 HydrophobicContact CE2-CG 3.68Å; Y160-Y206 WeakPolarHBondContact OH-CB 3.48Å |
| 161 | N | 87.9 | Confident | 90.5 | Very high | 76 Ų | 76 | 48.8 Ų | 48.8 | 41% | 0.406 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 108.5 | 172.9 | -177.7 | -37.4 | 0 | 0 | 0 | 110 | H163 T164 N165 D166 | N161-H163 PolarHBondContact O-N 3Å; N161-H163 PolarHBondContact OD1-N 3.07Å; N161-T164 WeakPolarHBondContact CB-OG1 3.3Å; N161-T164 PolarHBondContact O-N 2.8Å; N161-T164 PolarHBondContact O-OG1 3.22Å; N161-T164 PolarHBondContact OD1-N 2.82Å; N161-T164 PolarHBondContact OD1-OG1 3.32Å; N161-N165 WeakPolarHBondContact O-CA 3.35Å; N161-N165 PolarHBondContact O-N 2.91Å; N161-D166 PolarHBondContact N-O 3.33Å; N161-D166 PolarHBondContact O-N 3.48Å |
| 162 | E | 86 | Confident | 90.5 | Very high | 88 Ų | 88 | 48.7 Ų | 48.7 | 41% | 0.411 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -45.3 | 179.8 | -173.1 | -171.2 | -177.5 | 0 | 0 | 112.5 | Y160 T164 N165 H202 | Y160-E162 HydrophobicContact CE1-CB 4.09Å; E162-T164 VanDerWaalsContact C-N 3.31Å; E162-T164 PolarHBondContact O-N 2.9Å; E162-N165 PolarHBondContact O-N 3.46Å; E162-N165 PolarHBondContact O-ND2 3.46Å; E162-H202 VanDerWaalsContact CD-ND1 3.34Å; E162-H202 IonicContact OE1-CE1 3.79Å; E162-H202 PolarHBondContact OE1-CE1 3.42Å; E162-H202 IonicContact OE1-CG 3.52Å; E162-H202 IonicContact OE1-ND1 3.61Å; E162-H202 PolarHBondContact OE1-ND1 2.86Å; E162-H202 IonicContact OE2-ND1 2.71Å |
| 163 | H | 84.8 | Confident | 90.8 | Very high | 176 Ų | 176 | 46.2 Ų | 46.2 | 82% | 0.815 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -33.6 | -176.2 | -58.6 | -22.2 | 0 | 0 | 0 | 112.9 | N161 | N161-H163 PolarHBondContact O-N 3Å; N161-H163 PolarHBondContact OD1-N 3.07Å |
| 164 | T | 84.6 | Confident | 91 | Very high | 88 Ų | 88 | 42.7 Ų | 42.7 | 54% | 0.54 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -12 | 175.8 | 58.4 | 0 | 0 | 0 | 0 | 113.7 | N161 E162 D166 | N161-T164 WeakPolarHBondContact CB-OG1 3.3Å; N161-T164 PolarHBondContact O-N 2.8Å; N161-T164 PolarHBondContact O-OG1 3.22Å; N161-T164 PolarHBondContact OD1-N 2.82Å; N161-T164 PolarHBondContact OD1-OG1 3.32Å; E162-T164 VanDerWaalsContact C-N 3.31Å; E162-T164 PolarHBondContact O-N 2.9Å; T164-D166 VanDerWaalsContact C-N 3.34Å |
| 165 | N | 85.4 | Confident | 91.2 | Very high | 69 Ų | 69 | 38.8 Ų | 38.8 | 37% | 0.369 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 54.9 | -169.5 | -84.3 | -121.1 | 0 | 0 | 0 | 110.5 | N161 E162 Y206 | N161-N165 WeakPolarHBondContact O-CA 3.35Å; N161-N165 PolarHBondContact O-N 2.91Å; E162-N165 PolarHBondContact O-N 3.46Å; E162-N165 PolarHBondContact O-ND2 3.46Å; N165-Y206 HydrophobicContact CB-CD2 3.82Å; N165-Y206 HydrophobicContact CB-CE2 3.88Å; N165-Y206 WeakPolarHBondContact O-CE2 3.3Å; N165-Y206 PolarHBondContact O-OH 3.31Å |
| 166 | D | 88.6 | Confident | 91.3 | Very high | 50 Ų | 50 | 40 Ų | 40 | 27% | 0.267 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 131.7 | 179.4 | -163.5 | 34.3 | 0 | 0 | 0 | 110.2 | N161 T164 R378 | N161-D166 PolarHBondContact N-O 3.33Å; N161-D166 PolarHBondContact O-N 3.48Å; T164-D166 VanDerWaalsContact C-N 3.34Å; D166-R378 IonicContact OD1-CZ 2.72Å; D166-R378 VanDerWaalsContact OD1-CZ 3.22Å; D166-R378 IonicContact OD1-NE 2.94Å; D166-R378 PolarHBondContact OD1-NE 3Å; D166-R378 IonicContact OD1-NH2 2.72Å; D166-R378 PolarHBondContact OD1-NH2 3.44Å; D166-R378 IonicContact OD2-NH2 2.66Å |
| 167 | F | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 89.1 | -179.6 | -169.9 | 178.5 | 0 | 0 | 0 | 109 | F159 Y160 L169 Y170 T171 V195 M203 Y206 I207 | F159-F167 HydrophobicContact CB-CD2 4.01Å; F159-F167 HydrophobicContact CB-CE2 3.69Å; F159-F167 WeakPolarHBondContact O-CA 3.27Å; F159-F167 WeakPolarHBondContact O-CD2 3.25Å; Y160-F167 HydrophobicContact CD2-CB 4.01Å; Y160-F167 HydrophobicContact CD2-CG 4.42Å; F167-L169 HydrophobicContact CD2-CB 4.46Å; F167-L169 HydrophobicContact CE2-CB 4.11Å; F167-L169 PolarHBondContact O-N 2.79Å; F167-Y170 HydrophobicContact CD1-CD1 4.25Å; F167-Y170 HydrophobicContact CD1-CG 4.12Å; F167-Y170 HydrophobicContact CE1-CG 4.14Å; F167-T171 HydrophobicContact CB-CG2 4.46Å; F167-T171 WeakPolarHBondContact O-CB 3.24Å; F167-T171 WeakPolarHBondContact O-CG2 3.46Å; F167-T171 PolarHBondContact O-N 3.44Å; F167-T171 PolarHBondContact O-OG1 2.97Å; F167-V195 HydrophobicContact CE1-CG1 3.59Å; F167-V195 HydrophobicContact CE1-CG2 4.42Å; F167-V195 HydrophobicContact CZ-CG1 3.91Å; F167-V195 HydrophobicContact CZ-CG2 3.97Å; F167-M203 HydrophobicContact CD1-CG 3.88Å; F167-M203 HydrophobicContact CD1-SD 4.28Å; F167-M203 HydrophobicContact CE1-CG 3.58Å; F167-M203 HydrophobicContact CE1-SD 3.38Å; F167-M203 WeakPolarHBondContact CE1-SD 3.42Å; F167-M203 HydrophobicContact CZ-CG 4.41Å; F167-M203 HydrophobicContact CZ-SD 3.78Å; F167-Y206 HydrophobicContact CB-CD1 4.36Å; F167-Y206 HydrophobicContact CB-CE1 3.74Å; F167-I207 HydrophobicContact CE1-CD1 4.3Å |
| 168 | A | 91.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.7 | -52.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N122 I125 V126 F159 Y170 T171 E172 | N122-A168 HydrophobicContact CB-CB 4.03Å; I125-A168 HydrophobicContact CG2-CB 4.11Å; V126-A168 HydrophobicContact CG2-CB 3.78Å; F159-A168 PolarHBondContact O-N 2.98Å; A168-Y170 PolarHBondContact O-N 2.96Å; A168-T171 PolarHBondContact O-N 3.1Å; A168-E172 WeakPolarHBondContact O-CB 3.43Å; A168-E172 WeakPolarHBondContact O-CG 3.32Å; A168-E172 PolarHBondContact O-N 2.87Å; A168-E172 VanDerWaalsContact O-N 3.09Å |
| 169 | L | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.1 | -51.9 | -176.1 | 179.4 | 55.9 | 0 | 0 | 0 | 112.5 | I125 L144 L147 L151 F159 F167 A173 | I125-L169 HydrophobicContact CD1-CB 4.07Å; I125-L169 HydrophobicContact CD1-CD1 4.23Å; L144-L169 HydrophobicContact CB-CD1 4.02Å; L144-L169 HydrophobicContact CD2-CD1 3.94Å; L144-L169 HydrophobicContact CG-CD1 4.45Å; L147-L169 HydrophobicContact CB-CD1 4.16Å; L147-L169 HydrophobicContact CB-CD2 4.16Å; L151-L169 HydrophobicContact CD1-CD2 3.99Å; L151-L169 HydrophobicContact CD2-CD2 4.18Å; L151-L169 HydrophobicContact CG-CD2 4.25Å; F159-L169 HydrophobicContact CB-CB 4.34Å; F159-L169 HydrophobicContact CD1-CB 3.94Å; F159-L169 HydrophobicContact CD1-CD2 4.06Å; F159-L169 HydrophobicContact CE1-CD2 4.18Å; F159-L169 HydrophobicContact CG-CB 4.33Å; F159-L169 HydrophobicContact CG-CD2 4.23Å; F159-L169 HydrophobicContact CZ-CD2 4.44Å; F167-L169 HydrophobicContact CD2-CB 4.46Å; F167-L169 HydrophobicContact CE2-CB 4.11Å; F167-L169 PolarHBondContact O-N 2.79Å; L169-A173 WeakPolarHBondContact O-CB 3.48Å; L169-A173 PolarHBondContact O-N 3.45Å |
| 170 | Y | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72 | -45.8 | -179 | 173.6 | -95 | 0 | 0 | 0 | 112.6 | F167 A168 E172 A173 I174 T192 V195 Y196 I207 T211 | F167-Y170 HydrophobicContact CD1-CD1 4.25Å; F167-Y170 HydrophobicContact CD1-CG 4.12Å; F167-Y170 HydrophobicContact CE1-CG 4.14Å; A168-Y170 PolarHBondContact O-N 2.96Å; Y170-E172 VanDerWaalsContact C-N 3.34Å; Y170-E172 PolarHBondContact O-N 2.74Å; Y170-A173 PolarHBondContact O-N 2.85Å; Y170-I174 HydrophobicContact CD1-CD1 4.34Å; Y170-I174 HydrophobicContact CD2-CG2 4Å; Y170-I174 HydrophobicContact CE1-CD1 3.77Å; Y170-I174 HydrophobicContact CE1-CG2 4.26Å; Y170-I174 HydrophobicContact CE2-CG2 3.67Å; Y170-I174 HydrophobicContact CG-CG2 4.45Å; Y170-I174 WeakPolarHBondContact O-CG1 3.16Å; Y170-I174 PolarHBondContact O-N 2.77Å; Y170-T192 HydrophobicContact CE2-CG2 4.08Å; Y170-V195 HydrophobicContact CD2-CB 4.1Å; Y170-V195 HydrophobicContact CD2-CG1 3.72Å; Y170-V195 HydrophobicContact CD2-CG2 4.2Å; Y170-V195 HydrophobicContact CE2-CG1 4.29Å; Y170-V195 HydrophobicContact CG-CG1 4.25Å; Y170-Y196 AromaticContact CE2-CE1 3.62Å; Y170-Y196 HydrophobicContact CE2-CE1 3.62Å; Y170-Y196 AromaticContact CE2-CZ 3.97Å; Y170-Y196 PolarHBondContact OH-OH 2.88Å; Y170-I207 HydrophobicContact CD1-CG1 4.44Å; Y170-I207 HydrophobicContact CE1-CG1 4.11Å; Y170-T211 HydrophobicContact CE1-CG2 3.98Å; Y170-T211 VanDerWaalsContact CE1-OG1 3.28Å; Y170-T211 WeakPolarHBondContact CE1-OG1 3.27Å; Y170-T211 PolarHBondContact OH-OG1 2.93Å |
| 171 | T | 93.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.5 | -26 | -174.5 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | F167 A168 K175 Y206 T211 R378 | F167-T171 HydrophobicContact CB-CG2 4.46Å; F167-T171 WeakPolarHBondContact O-CB 3.24Å; F167-T171 WeakPolarHBondContact O-CG2 3.46Å; F167-T171 PolarHBondContact O-N 3.44Å; F167-T171 PolarHBondContact O-OG1 2.97Å; A168-T171 PolarHBondContact O-N 3.1Å; T171-K175 WeakPolarHBondContact O-CE 3.37Å; T171-Y206 HydrophobicContact CG2-CE1 4.41Å; T171-Y206 WeakPolarHBondContact CG2-OH 3.35Å; T171-T211 HydrophobicContact CG2-CG2 4.36Å; T171-R378 PolarHBondContact OG1-NH2 2.97Å |
| 172 | E | 94.3 | Very high | 91.4 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -81.8 | -40.8 | 171 | -59.5 | -60.1 | 127.5 | 0 | 0 | 111.2 | I125 V126 A168 Y170 I174 K175 F176 R378 | I125-E172 HydrophobicContact CG2-CB 4.04Å; I125-E172 HydrophobicContact CG2-CG 4Å; V126-E172 HydrophobicContact CG2-CG 4.14Å; A168-E172 WeakPolarHBondContact O-CB 3.43Å; A168-E172 WeakPolarHBondContact O-CG 3.32Å; A168-E172 PolarHBondContact O-N 2.87Å; A168-E172 VanDerWaalsContact O-N 3.09Å; Y170-E172 VanDerWaalsContact C-N 3.34Å; Y170-E172 PolarHBondContact O-N 2.74Å; E172-I174 PolarHBondContact O-N 2.88Å; E172-K175 WeakPolarHBondContact O-CG 3.37Å; E172-K175 PolarHBondContact O-N 2.83Å; E172-K175 IonicContact OE1-NZ 3.23Å; E172-K175 PolarHBondContact OE1-NZ 2.63Å; E172-K175 IonicContact OE2-NZ 2.74Å; E172-K175 PolarHBondContact OE2-NZ 2.87Å; E172-F176 WeakPolarHBondContact O-CD2 3.43Å; E172-F176 WeakPolarHBondContact O-CE2 3.3Å; E172-R378 IonicContact OE1-CZ 3.25Å; E172-R378 IonicContact OE1-NH1 3.47Å; E172-R378 PolarHBondContact OE1-NH1 2.77Å; E172-R378 IonicContact OE1-NH2 2.73Å |
| 173 | A | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -45.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L144 L169 Y170 K175 F176 I191 | L144-A173 HydrophobicContact CD1-CB 3.94Å; L169-A173 WeakPolarHBondContact O-CB 3.48Å; L169-A173 PolarHBondContact O-N 3.45Å; Y170-A173 PolarHBondContact O-N 2.85Å; A173-K175 PolarHBondContact O-N 3.49Å; A173-F176 PolarHBondContact O-N 3Å; A173-I191 HydrophobicContact CB-CB 4.46Å; A173-I191 HydrophobicContact CB-CD1 4.1Å; A173-I191 HydrophobicContact CB-CG2 3.78Å |
| 174 | I | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -65.5 | -12.8 | -175 | 62.8 | 175.9 | 0 | 0 | 0 | 114.3 | Y170 E172 F176 F177 T192 Y215 L370 L374 | Y170-I174 HydrophobicContact CD1-CD1 4.34Å; Y170-I174 HydrophobicContact CD2-CG2 4Å; Y170-I174 HydrophobicContact CE1-CD1 3.77Å; Y170-I174 HydrophobicContact CE1-CG2 4.26Å; Y170-I174 HydrophobicContact CE2-CG2 3.67Å; Y170-I174 HydrophobicContact CG-CG2 4.45Å; Y170-I174 WeakPolarHBondContact O-CG1 3.16Å; Y170-I174 PolarHBondContact O-N 2.77Å; E172-I174 PolarHBondContact O-N 2.88Å; I174-F176 PolarHBondContact O-N 2.88Å; I174-F177 WeakPolarHBondContact O-CB 3.48Å; I174-F177 VanDerWaalsContact O-CD1 3.26Å; I174-F177 WeakPolarHBondContact O-CD1 3.25Å; I174-F177 PolarHBondContact O-N 2.84Å; I174-T192 HydrophobicContact CG2-CG2 3.67Å; I174-Y215 HydrophobicContact CB-CD2 4Å; I174-Y215 HydrophobicContact CB-CE2 4.07Å; I174-Y215 HydrophobicContact CD1-CD2 4.48Å; I174-Y215 HydrophobicContact CG2-CD2 4.3Å; I174-Y215 HydrophobicContact CG2-CE2 4.2Å; I174-L370 HydrophobicContact CB-CD2 4.47Å; I174-L370 HydrophobicContact CG1-CD2 4.39Å; I174-L370 WeakPolarHBondContact O-CD2 3.37Å; I174-L374 HydrophobicContact CD1-CD1 3.76Å; I174-L374 HydrophobicContact CD1-CD2 4.05Å; I174-L374 HydrophobicContact CG1-CD1 3.89Å |
| 175 | K | 93.7 | Very high | 92.6 | Very high | 42 Ų | 42 | 35.2 Ų | 35.2 | 18% | 0.183 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -62.7 | -34.7 | 175 | -59.5 | 179.7 | -174 | 173.7 | 0 | 111.7 | T171 E172 A173 F177 E371 L374 | T171-K175 WeakPolarHBondContact O-CE 3.37Å; E172-K175 WeakPolarHBondContact O-CG 3.37Å; E172-K175 PolarHBondContact O-N 2.83Å; E172-K175 IonicContact OE1-NZ 3.23Å; E172-K175 PolarHBondContact OE1-NZ 2.63Å; E172-K175 IonicContact OE2-NZ 2.74Å; E172-K175 PolarHBondContact OE2-NZ 2.87Å; A173-K175 PolarHBondContact O-N 3.49Å; K175-F177 VanDerWaalsContact C-N 3.3Å; K175-F177 PolarHBondContact O-N 2.67Å; K175-E371 HydrophobicContact CB-CG 4.24Å; K175-E371 HydrophobicContact CD-CG 4.35Å; K175-E371 HydrophobicContact CG-CG 4.15Å; K175-L374 HydrophobicContact CG-CD1 4.46Å |
| 176 | F | 94.1 | Very high | 93 | Very high | 25 Ų | 25 | 35.2 Ų | 35.2 | 11% | 0.11 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -88.4 | 12.1 | -175.1 | -50.8 | -77 | 0 | 0 | 0 | 113.7 | F131 M137 Y140 I141 E172 A173 I174 N178 H179 V184 V188 | F131-F176 HydrophobicContact CD2-CE1 4.32Å; F131-F176 HydrophobicContact CD2-CZ 4.21Å; F131-F176 HydrophobicContact CE1-CZ 4.4Å; F131-F176 HydrophobicContact CE2-CE1 4.35Å; F131-F176 AromaticContact CE2-CZ 3.78Å; F131-F176 HydrophobicContact CE2-CZ 3.78Å; F131-F176 AromaticContact CZ-CZ 3.88Å; F131-F176 HydrophobicContact CZ-CZ 3.88Å; M137-F176 HydrophobicContact CE-CD1 3.7Å; M137-F176 HydrophobicContact CE-CE1 3.54Å; M137-F176 HydrophobicContact SD-CD1 3.92Å; M137-F176 HydrophobicContact SD-CE1 3.9Å; M137-F176 HydrophobicContact SD-CZ 4.47Å; Y140-F176 AromaticContact CE1-CE2 3.94Å; Y140-F176 HydrophobicContact CE1-CE2 3.94Å; Y140-F176 HydrophobicContact CE1-CZ 4.38Å; I141-F176 HydrophobicContact CD1-CB 4.14Å; I141-F176 HydrophobicContact CD1-CD2 3.66Å; I141-F176 HydrophobicContact CD1-CE2 4.27Å; I141-F176 HydrophobicContact CD1-CG 3.91Å; E172-F176 WeakPolarHBondContact O-CD2 3.43Å; E172-F176 WeakPolarHBondContact O-CE2 3.3Å; A173-F176 PolarHBondContact O-N 3Å; I174-F176 PolarHBondContact O-N 2.88Å; F176-N178 PolarHBondContact O-N 2.9Å; F176-N178 VanDerWaalsContact O-N 3.14Å; F176-H179 WeakPolarHBondContact O-CB 3.42Å; F176-H179 PolarHBondContact O-N 3.43Å; F176-H179 VanDerWaalsContact O-N 3.13Å; F176-V184 HydrophobicContact CB-CG1 3.9Å; F176-V188 HydrophobicContact CB-CG2 3.84Å |
| 177 | F | 93.8 | Very high | 93.4 | Very high | 25 Ų | 25 | 33.3 Ų | 33.3 | 11% | 0.11 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -57.4 | -28.4 | 179.9 | 83 | -72.1 | 0 | 0 | 0 | 114.2 | I174 K175 V188 Y215 N218 L219 F222 L370 | I174-F177 WeakPolarHBondContact O-CB 3.48Å; I174-F177 VanDerWaalsContact O-CD1 3.26Å; I174-F177 WeakPolarHBondContact O-CD1 3.25Å; I174-F177 PolarHBondContact O-N 2.84Å; K175-F177 VanDerWaalsContact C-N 3.3Å; K175-F177 PolarHBondContact O-N 2.67Å; F177-V188 HydrophobicContact CB-CG1 4.24Å; F177-Y215 HydrophobicContact CB-CE2 3.77Å; F177-Y215 HydrophobicContact CD2-CE2 4.37Å; F177-Y215 HydrophobicContact CG-CE2 4.03Å; F177-N218 HydrophobicContact CE2-CB 4.27Å; F177-N218 HydrophobicContact CZ-CB 3.77Å; F177-L219 HydrophobicContact CD2-CB 4.5Å; F177-L219 HydrophobicContact CD2-CD1 4.28Å; F177-L219 HydrophobicContact CE2-CB 4.5Å; F177-F222 HydrophobicContact CE2-CB 4.45Å; F177-L370 HydrophobicContact CD1-CD2 3.64Å; F177-L370 HydrophobicContact CE1-CB 4.29Å; F177-L370 HydrophobicContact CE1-CD2 3.74Å; F177-L370 HydrophobicContact CG-CD2 4.47Å |
| 178 | N | 91.9 | Very high | 93.6 | Very high | 71 Ų | 71 | 33.4 Ų | 33.4 | 38% | 0.38 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -118.9 | 48.7 | 177.2 | -174.5 | 17.5 | 0 | 0 | 0 | 110.3 | F176 F222 | F176-N178 PolarHBondContact O-N 2.9Å; F176-N178 VanDerWaalsContact O-N 3.14Å; N178-F222 WeakPolarHBondContact OD1-CD2 3.48Å; N178-F222 WeakPolarHBondContact OD1-CE2 3.14Å |
| 179 | H | 92.6 | Very high | 93.8 | Very high | 35 Ų | 35 | 34.7 Ų | 34.7 | 16% | 0.162 | 18% | 0.181 | C | C | . | . | trans | -77.9 | 143.3 | 167.8 | -167.8 | -103.6 | 0 | 0 | 0 | 109.8 | F176 E181 V184 R185 | F176-H179 WeakPolarHBondContact O-CB 3.42Å; F176-H179 PolarHBondContact O-N 3.43Å; F176-H179 VanDerWaalsContact O-N 3.13Å; H179-E181 VanDerWaalsContact C-N 3.31Å; H179-E181 WeakPolarHBondContact ND1-CB 3.47Å; H179-E181 PolarHBondContact ND1-N 3.07Å; H179-E181 PolarHBondContact O-N 2.69Å; H179-V184 HydrophobicContact CB-CB 3.98Å; H179-V184 HydrophobicContact CB-CG1 3.55Å; H179-V184 WeakPolarHBondContact ND1-CB 3.47Å; H179-R185 WeakPolarHBondContact O-CD 3.29Å; H179-R185 VanDerWaalsContact O-CG 3.28Å; H179-R185 WeakPolarHBondContact O-CG 3.39Å; H179-R185 PolarHBondContact O-NH1 3.49Å | ||
| 180 | P | 89.1 | Confident | 93.9 | Very high | 115 Ų | 115 | 36.4 Ų | 36.4 | 75% | 0.747 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -65.2 | -28.7 | -178.8 | 24.9 | -35.6 | 0 | 0 | 0 | 114.1 | R185 | P180-R185 PolarHBondContact O-NH1 2.87Š|
| 181 | E | 90.6 | Very high | 94.1 | Very high | 83 Ų | 83 | 36.4 Ų | 36.4 | 39% | 0.388 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -78.9 | 126.2 | 174.9 | -167.4 | -165.9 | 170.6 | 0 | 0 | 111.9 | H179 M183 V184 R185 | H179-E181 VanDerWaalsContact C-N 3.31Å; H179-E181 WeakPolarHBondContact ND1-CB 3.47Å; H179-E181 PolarHBondContact ND1-N 3.07Å; H179-E181 PolarHBondContact O-N 2.69Å; E181-M183 HydrophobicContact CG-CB 4.35Å; E181-M183 PolarHBondContact O-N 2.74Å; E181-M183 WeakPolarHBondContact OE1-CB 3.44Å; E181-V184 HydrophobicContact CB-CG2 4.39Å; E181-V184 PolarHBondContact O-N 3.23Å; E181-V184 WeakPolarHBondContact OE2-CG2 3.43Å; E181-R185 PolarHBondContact O-N 3.39Å; E181-R185 PolarHBondContact O-NH1 3.05Å |
| 182 | S | 90.4 | Very high | 94.2 | Very high | 46 Ų | 46 | 36.3 Ų | 36.3 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.8 | -36.4 | -177.6 | -170.8 | 0 | 0 | 0 | 0 | 112.9 | V184 R185 I186 | S182-V184 VanDerWaalsContact C-N 3.26Å; S182-V184 PolarHBondContact O-N 3.17Å; S182-R185 CarbonylContact O-C 3.5Å; S182-R185 WeakPolarHBondContact O-CA 3.21Å; S182-R185 WeakPolarHBondContact O-CB 3.43Å; S182-R185 PolarHBondContact O-N 2.91Å; S182-I186 WeakPolarHBondContact O-CG1 3.44Å; S182-I186 PolarHBondContact O-N 2.99Å |
| 183 | M | 91.2 | Very high | 94.3 | Very high | 131 Ų | 131 | 36.3 Ų | 36.3 | 65% | 0.645 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -58.6 | -37.5 | 177.9 | -63.9 | -63.2 | -75.1 | 0 | 0 | 112.4 | E181 A187 | E181-M183 HydrophobicContact CG-CB 4.35Å; E181-M183 PolarHBondContact O-N 2.74Å; E181-M183 WeakPolarHBondContact OE1-CB 3.44Å; M183-A187 WeakPolarHBondContact O-CB 3.47Å; M183-A187 PolarHBondContact O-N 2.94Å |
| 184 | V | 94.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.7 | -42.7 | 173.2 | 174.1 | 0 | 0 | 0 | 0 | 111 | M137 I141 F176 H179 E181 S182 I186 A187 V188 | M137-V184 HydrophobicContact CG-CG2 4.3Å; I141-V184 HydrophobicContact CD1-CG1 4.19Å; I141-V184 HydrophobicContact CG1-CG1 4.05Å; I141-V184 HydrophobicContact CG1-CG2 4.38Å; I141-V184 HydrophobicContact CG2-CG1 4.35Å; I141-V184 HydrophobicContact CG2-CG2 4.5Å; F176-V184 HydrophobicContact CB-CG1 3.9Å; H179-V184 HydrophobicContact CB-CB 3.98Å; H179-V184 HydrophobicContact CB-CG1 3.55Å; H179-V184 WeakPolarHBondContact ND1-CB 3.47Å; E181-V184 HydrophobicContact CB-CG2 4.39Å; E181-V184 PolarHBondContact O-N 3.23Å; E181-V184 WeakPolarHBondContact OE2-CG2 3.43Å; S182-V184 VanDerWaalsContact C-N 3.26Å; S182-V184 PolarHBondContact O-N 3.17Å; V184-I186 VanDerWaalsContact C-N 3.35Å; V184-I186 PolarHBondContact O-N 3.05Å; V184-A187 PolarHBondContact O-N 3.33Å; V184-V188 HydrophobicContact CG1-CG2 4.4Å; V184-V188 VanDerWaalsContact O-CG2 3.3Å; V184-V188 WeakPolarHBondContact O-CG2 3.39Å; V184-V188 PolarHBondContact O-N 2.84Å |
| 185 | R | 94.6 | Very high | 94.3 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 6% | 0.064 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.6 | -47.2 | 173.8 | -62.1 | -163 | -69.7 | -68.5 | 9.4 | 111 | H179 P180 E181 S182 V188 R189 E252 | H179-R185 WeakPolarHBondContact O-CD 3.29Å; H179-R185 VanDerWaalsContact O-CG 3.28Å; H179-R185 WeakPolarHBondContact O-CG 3.39Å; H179-R185 PolarHBondContact O-NH1 3.49Å; P180-R185 PolarHBondContact O-NH1 2.87Å; E181-R185 PolarHBondContact O-N 3.39Å; E181-R185 PolarHBondContact O-NH1 3.05Å; S182-R185 CarbonylContact O-C 3.5Å; S182-R185 WeakPolarHBondContact O-CA 3.21Å; S182-R185 WeakPolarHBondContact O-CB 3.43Å; S182-R185 PolarHBondContact O-N 2.91Å; R185-V188 PolarHBondContact O-N 2.92Å; R185-R189 VanDerWaalsContact O-CG 3.24Å; R185-R189 WeakPolarHBondContact O-CG 3.34Å; R185-R189 PolarHBondContact O-N 3.21Å; R185-E252 IonicContact CZ-OE1 3.59Å; R185-E252 IonicContact CZ-OE2 2.88Å; R185-E252 IonicContact NE-OE1 3.79Å; R185-E252 PolarHBondContact NE-OE1 3.13Å; R185-E252 IonicContact NH2-OE1 2.76Å; R185-E252 PolarHBondContact NH2-OE1 3.18Å; R185-E252 IonicContact NH2-OE2 2.61Å; R185-E252 PolarHBondContact NH2-OE2 3.2Å |
| 186 | I | 94.6 | Very high | 94.3 | Very high | 69 Ų | 69 | 36 Ų | 36 | 35% | 0.354 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.1 | -42.6 | 178.1 | -66.2 | 163.1 | 0 | 0 | 0 | 111.6 | S182 V184 R189 T190 | S182-I186 WeakPolarHBondContact O-CG1 3.44Å; S182-I186 PolarHBondContact O-N 2.99Å; V184-I186 VanDerWaalsContact C-N 3.35Å; V184-I186 PolarHBondContact O-N 3.05Å; I186-R189 PolarHBondContact O-N 3.02Å; I186-T190 PolarHBondContact O-N 2.84Å; I186-T190 PolarHBondContact O-OG1 3.07Å |
| 187 | A | 96.5 | Very high | 94.3 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I141 K145 M183 V184 T190 I191 | I141-A187 HydrophobicContact CG2-CB 3.4Å; K145-A187 HydrophobicContact CD-CB 4.49Å; M183-A187 WeakPolarHBondContact O-CB 3.47Å; M183-A187 PolarHBondContact O-N 2.94Å; V184-A187 PolarHBondContact O-N 3.33Å; A187-T190 WeakPolarHBondContact O-CB 3.3Å; A187-T190 PolarHBondContact O-N 3.35Å; A187-I191 WeakPolarHBondContact O-CD1 3.36Å; A187-I191 VanDerWaalsContact O-CG1 3.3Å; A187-I191 WeakPolarHBondContact O-CG1 3.38Å; A187-I191 PolarHBondContact O-N 3.42Å |
| 188 | V | 97 | Very high | 94.3 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 174.9 | 175 | 0 | 0 | 0 | 0 | 111.5 | F176 F177 V184 R185 T190 I191 T192 | F176-V188 HydrophobicContact CB-CG2 3.84Å; F177-V188 HydrophobicContact CB-CG1 4.24Å; V184-V188 HydrophobicContact CG1-CG2 4.4Å; V184-V188 VanDerWaalsContact O-CG2 3.3Å; V184-V188 WeakPolarHBondContact O-CG2 3.39Å; V184-V188 PolarHBondContact O-N 2.84Å; R185-V188 PolarHBondContact O-N 2.92Å; V188-T190 VanDerWaalsContact C-N 3.29Å; V188-T190 PolarHBondContact O-N 3.47Å; V188-I191 PolarHBondContact O-N 3.34Å; V188-T192 PolarHBondContact O-N 2.93Å; V188-T192 PolarHBondContact O-OG1 3.06Å |
| 189 | R | 96.8 | Very high | 94.1 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 12% | 0.117 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.1 | -40.7 | 172.3 | -68.5 | 173 | -167.9 | 162.7 | 8.7 | 111.6 | R185 I186 T192 L193 D255 H256 Y259 | R185-R189 VanDerWaalsContact O-CG 3.24Å; R185-R189 WeakPolarHBondContact O-CG 3.34Å; R185-R189 PolarHBondContact O-N 3.21Å; I186-R189 PolarHBondContact O-N 3.02Å; R189-T192 WeakPolarHBondContact CA-OG1 3.28Å; R189-T192 PolarHBondContact O-N 3.15Å; R189-T192 PolarHBondContact O-OG1 3.45Å; R189-L193 WeakPolarHBondContact O-CB 3.33Å; R189-L193 VanDerWaalsContact O-CG 3.25Å; R189-L193 WeakPolarHBondContact O-CG 3.28Å; R189-L193 PolarHBondContact O-N 3.44Å; R189-D255 IonicContact CZ-OD2 2.68Å; R189-D255 IonicContact NH1-OD2 3.6Å; R189-D255 PolarHBondContact NH1-OD2 3.22Å; R189-D255 IonicContact NH2-OD2 3.56Å; R189-H256 PolarHBondContact NH2-ND1 3.36Å; R189-Y259 HydrophobicContact CB-CD2 3.64Å; R189-Y259 HydrophobicContact CB-CE2 3.58Å; R189-Y259 HydrophobicContact CB-CG 4.27Å; R189-Y259 HydrophobicContact CG-CD1 3.87Å; R189-Y259 HydrophobicContact CG-CD2 3.57Å; R189-Y259 HydrophobicContact CG-CE1 3.92Å; R189-Y259 HydrophobicContact CG-CE2 3.63Å; R189-Y259 HydrophobicContact CG-CG 3.69Å |
| 190 | T | 97 | Very high | 94 | Very high | 36 Ų | 36 | 40.5 Ų | 40.5 | 22% | 0.221 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 175.3 | -51.4 | 0 | 0 | 0 | 0 | 111.1 | K145 I186 A187 V188 L193 N194 | K145-T190 HydrophobicContact CG-CG2 4.35Å; I186-T190 PolarHBondContact O-N 2.84Å; I186-T190 PolarHBondContact O-OG1 3.07Å; A187-T190 WeakPolarHBondContact O-CB 3.3Å; A187-T190 PolarHBondContact O-N 3.35Å; V188-T190 VanDerWaalsContact C-N 3.29Å; V188-T190 PolarHBondContact O-N 3.47Å; T190-L193 PolarHBondContact O-N 3.22Å; T190-N194 WeakPolarHBondContact O-CB 3.47Å; T190-N194 PolarHBondContact O-N 3.17Å; T190-N194 PolarHBondContact O-ND2 3.27Å |
| 191 | I | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.6 | -44 | 179.7 | -65.9 | 158.1 | 0 | 0 | 0 | 111.1 | L144 K145 A173 A187 V188 N194 V195 | L144-I191 HydrophobicContact CB-CD1 3.71Å; K145-I191 HydrophobicContact CB-CD1 4.4Å; K145-I191 HydrophobicContact CB-CG1 4.34Å; A173-I191 HydrophobicContact CB-CB 4.46Å; A173-I191 HydrophobicContact CB-CD1 4.1Å; A173-I191 HydrophobicContact CB-CG2 3.78Å; A187-I191 WeakPolarHBondContact O-CD1 3.36Å; A187-I191 VanDerWaalsContact O-CG1 3.3Å; A187-I191 WeakPolarHBondContact O-CG1 3.38Å; A187-I191 PolarHBondContact O-N 3.42Å; V188-I191 PolarHBondContact O-N 3.34Å; I191-N194 PolarHBondContact O-N 3.49Å; I191-V195 WeakPolarHBondContact O-CB 3.28Å; I191-V195 VanDerWaalsContact O-CG2 3.29Å; I191-V195 WeakPolarHBondContact O-CG2 3.25Å; I191-V195 PolarHBondContact O-N 3.35Å |
| 192 | T | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.1 | -44.7 | 178.8 | 51.2 | 0 | 0 | 0 | 0 | 112 | Y170 I174 V188 R189 N194 V195 Y196 Y259 | Y170-T192 HydrophobicContact CE2-CG2 4.08Å; I174-T192 HydrophobicContact CG2-CG2 3.67Å; V188-T192 PolarHBondContact O-N 2.93Å; V188-T192 PolarHBondContact O-OG1 3.06Å; R189-T192 WeakPolarHBondContact CA-OG1 3.28Å; R189-T192 PolarHBondContact O-N 3.15Å; R189-T192 PolarHBondContact O-OG1 3.45Å; T192-N194 VanDerWaalsContact C-N 3.34Å; T192-N194 PolarHBondContact O-N 3.29Å; T192-V195 PolarHBondContact O-N 2.89Å; T192-Y196 VanDerWaalsContact O-CD2 3.28Å; T192-Y196 WeakPolarHBondContact O-CD2 3.44Å; T192-Y196 PolarHBondContact O-N 3.39Å; T192-Y259 PolarHBondContact OG1-OH 3.27Å |
| 193 | L | 96.1 | Very high | 94 | Very high | 22 Ų | 22 | 38.1 Ų | 38.1 | 12% | 0.115 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.2 | -40.3 | 176.2 | -67.5 | 171.8 | 0 | 0 | 0 | 112 | R189 T190 Y196 K197 Y259 D262 I263 I266 | R189-L193 WeakPolarHBondContact O-CB 3.33Å; R189-L193 VanDerWaalsContact O-CG 3.25Å; R189-L193 WeakPolarHBondContact O-CG 3.28Å; R189-L193 PolarHBondContact O-N 3.44Å; T190-L193 PolarHBondContact O-N 3.22Å; L193-Y196 PolarHBondContact O-N 3.45Å; L193-K197 WeakPolarHBondContact O-CD 3.48Å; L193-K197 VanDerWaalsContact O-CG 3.23Å; L193-K197 WeakPolarHBondContact O-CG 3.32Å; L193-K197 PolarHBondContact O-N 2.9Å; L193-K197 VanDerWaalsContact O-N 3.15Å; L193-Y259 HydrophobicContact CD1-CD2 4.23Å; L193-Y259 HydrophobicContact CD1-CE2 4.38Å; L193-Y259 HydrophobicContact CD2-CD2 4.49Å; L193-Y259 HydrophobicContact CD2-CE2 4.26Å; L193-Y259 HydrophobicContact CG-CD2 4.35Å; L193-Y259 HydrophobicContact CG-CE2 4.04Å; L193-D262 HydrophobicContact CD1-CB 3.91Å; L193-D262 HydrophobicContact CD2-CB 3.74Å; L193-I263 HydrophobicContact CD2-CG1 3.84Å; L193-I266 HydrophobicContact CB-CD1 4.41Å; L193-I266 HydrophobicContact CD2-CD1 3.67Å |
| 194 | N | 96.1 | Very high | 94 | Very high | 31 Ų | 31 | 32.2 Ų | 32.2 | 17% | 0.166 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 174.8 | -72 | -13.4 | 0 | 0 | 0 | 111.8 | S148 L149 T190 I191 T192 K197 | S148-N194 PolarHBondContact OG-ND2 2.97Å; L149-N194 WeakPolarHBondContact CD2-ND2 3.32Å; T190-N194 WeakPolarHBondContact O-CB 3.47Å; T190-N194 PolarHBondContact O-N 3.17Å; T190-N194 PolarHBondContact O-ND2 3.27Å; I191-N194 PolarHBondContact O-N 3.49Å; T192-N194 VanDerWaalsContact C-N 3.34Å; T192-N194 PolarHBondContact O-N 3.29Å; N194-K197 PolarHBondContact O-N 3.5Å |
| 195 | V | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 176.2 | 167.3 | 0 | 0 | 0 | 0 | 112 | L151 F167 Y170 I191 T192 K197 V198 M203 I207 | L151-V195 HydrophobicContact CD1-CG2 3.64Å; F167-V195 HydrophobicContact CE1-CG1 3.59Å; F167-V195 HydrophobicContact CE1-CG2 4.42Å; F167-V195 HydrophobicContact CZ-CG1 3.91Å; F167-V195 HydrophobicContact CZ-CG2 3.97Å; Y170-V195 HydrophobicContact CD2-CB 4.1Å; Y170-V195 HydrophobicContact CD2-CG1 3.72Å; Y170-V195 HydrophobicContact CD2-CG2 4.2Å; Y170-V195 HydrophobicContact CE2-CG1 4.29Å; Y170-V195 HydrophobicContact CG-CG1 4.25Å; I191-V195 WeakPolarHBondContact O-CB 3.28Å; I191-V195 VanDerWaalsContact O-CG2 3.29Å; I191-V195 WeakPolarHBondContact O-CG2 3.25Å; I191-V195 PolarHBondContact O-N 3.35Å; T192-V195 PolarHBondContact O-N 2.89Å; V195-K197 VanDerWaalsContact C-N 3.26Å; V195-K197 PolarHBondContact O-N 3.42Å; V195-V198 PolarHBondContact O-N 3.18Å; V195-M203 HydrophobicContact CG1-CE 4.34Å; V195-M203 HydrophobicContact CG1-SD 4.2Å; V195-M203 WeakPolarHBondContact O-CE 3.32Å; V195-I207 HydrophobicContact CG1-CD1 3.72Å |
| 196 | Y | 94.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.2 | -21 | -179.3 | -58.4 | -26.3 | 0 | 0 | 0 | 113.3 | Y170 T192 L193 V198 I207 I263 I266 L271 | Y170-Y196 AromaticContact CE2-CE1 3.62Å; Y170-Y196 HydrophobicContact CE2-CE1 3.62Å; Y170-Y196 AromaticContact CE2-CZ 3.97Å; Y170-Y196 PolarHBondContact OH-OH 2.88Å; T192-Y196 VanDerWaalsContact O-CD2 3.28Å; T192-Y196 WeakPolarHBondContact O-CD2 3.44Å; T192-Y196 PolarHBondContact O-N 3.39Å; L193-Y196 PolarHBondContact O-N 3.45Å; Y196-V198 VanDerWaalsContact C-N 3.34Å; Y196-I207 HydrophobicContact CD1-CD1 4.41Å; Y196-I207 HydrophobicContact CE1-CD1 4.39Å; Y196-I207 HydrophobicContact CE1-CG2 4.01Å; Y196-I263 HydrophobicContact CD2-CG1 4.35Å; Y196-I263 HydrophobicContact CD2-CG2 4.27Å; Y196-I263 HydrophobicContact CE2-CD1 4.42Å; Y196-I263 HydrophobicContact CE2-CG1 4.27Å; Y196-I263 HydrophobicContact CE2-CG2 4.4Å; Y196-I266 WeakPolarHBondContact O-CG2 3.06Å; Y196-L271 HydrophobicContact CD1-CD2 3.94Å; Y196-L271 HydrophobicContact CD2-CD2 3.73Å; Y196-L271 HydrophobicContact CE1-CD2 4.2Å; Y196-L271 HydrophobicContact CE2-CD2 3.99Å; Y196-L271 HydrophobicContact CG-CD2 3.72Å |
| 197 | K | 94 | Very high | 93.4 | Very high | 135 Ų | 135 | 32.3 Ų | 32.3 | 59% | 0.587 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -11.8 | 174.2 | -74.7 | 168.8 | -175.2 | 178.8 | 0 | 114.5 | L193 N194 V195 D199 I266 | L193-K197 WeakPolarHBondContact O-CD 3.48Å; L193-K197 VanDerWaalsContact O-CG 3.23Å; L193-K197 WeakPolarHBondContact O-CG 3.32Å; L193-K197 PolarHBondContact O-N 2.9Å; L193-K197 VanDerWaalsContact O-N 3.15Å; N194-K197 PolarHBondContact O-N 3.5Å; V195-K197 VanDerWaalsContact C-N 3.26Å; V195-K197 PolarHBondContact O-N 3.42Å; K197-D199 PolarHBondContact O-N 3.3Å; K197-I266 HydrophobicContact CG-CD1 3.89Å; K197-I266 HydrophobicContact CG-CG1 3.98Å; K197-I266 HydrophobicContact CG-CG2 4.33Å |
| 198 | V | 92.9 | Very high | 93 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -83.2 | 114.2 | 178.6 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | L151 V156 V195 Y196 N200 M203 | L151-V198 HydrophobicContact CB-CG2 4.06Å; V156-V198 HydrophobicContact CB-CG1 4.01Å; V156-V198 HydrophobicContact CG1-CG1 4.03Å; V156-V198 HydrophobicContact CG2-CG1 4.15Å; V195-V198 PolarHBondContact O-N 3.18Å; Y196-V198 VanDerWaalsContact C-N 3.34Å; V198-N200 VanDerWaalsContact C-N 3.31Å; V198-N200 HydrophobicContact CG1-CB 4.18Å; V198-N200 PolarHBondContact O-N 3.17Å; V198-M203 HydrophobicContact CB-CE 4.13Å; V198-M203 HydrophobicContact CG1-CE 4.45Å; V198-M203 WeakPolarHBondContact O-CE 3.11Å |
| 199 | D | 88.8 | Confident | 92.5 | Very high | 97 Ų | 97 | 39.5 Ų | 39.5 | 52% | 0.519 | 19% | 0.188 | S | C | . | . | trans | -74.4 | 85.8 | 174.3 | -177.6 | 17.2 | 0 | 0 | 0 | 110.6 | N153 K197 Q201 | N153-D199 PolarHBondContact ND2-O 2.98Å; N153-D199 PolarHBondContact OD1-N 2.9Å; K197-D199 PolarHBondContact O-N 3.3Å; D199-Q201 PolarHBondContact OD1-NE2 3.42Å | ||
| 200 | N | 90.6 | Very high | 92.1 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | trans | -134.6 | 94.4 | 171.4 | -172.7 | -67.9 | 0 | 0 | 0 | 109.4 | V156 H157 V198 H202 M203 L204 | V156-N200 HydrophobicContact CG1-CB 4.25Å; H157-N200 PolarHBondContact CE1-ND2 3.32Å; H157-N200 PolarHBondContact NE2-ND2 2.81Å; H157-N200 VanDerWaalsContact NE2-ND2 3.11Å; V198-N200 VanDerWaalsContact C-N 3.31Å; V198-N200 HydrophobicContact CG1-CB 4.18Å; V198-N200 PolarHBondContact O-N 3.17Å; N200-H202 PolarHBondContact O-N 3.27Å; N200-H202 PolarHBondContact OD1-N 3.2Å; N200-M203 HydrophobicContact CB-CB 4.03Å; N200-M203 HydrophobicContact CB-CE 4.41Å; N200-M203 WeakPolarHBondContact O-CB 3.32Å; N200-M203 PolarHBondContact O-N 3.29Å; N200-M203 WeakPolarHBondContact OD1-CB 3.34Å; N200-M203 PolarHBondContact OD1-N 3.12Å; N200-L204 WeakPolarHBondContact O-CB 3.33Å; N200-L204 VanDerWaalsContact O-CG 3.31Å; N200-L204 WeakPolarHBondContact O-CG 3.27Å; N200-L204 PolarHBondContact O-N 3.5Å | ||
| 201 | Q | 89.2 | Confident | 91.7 | Very high | 92 Ų | 92 | 40 Ų | 40 | 43% | 0.43 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -53.6 | -33.4 | -173.1 | -61.3 | -60.5 | -42.2 | 0 | 0 | 113.8 | D199 H205 | D199-Q201 PolarHBondContact OD1-NE2 3.42Å; Q201-H205 WeakPolarHBondContact O-CB 3.45Å; Q201-H205 VanDerWaalsContact O-CG 3.32Å; Q201-H205 PolarHBondContact O-N 3.44Å |
| 202 | H | 88.2 | Confident | 91.4 | Very high | 102 Ų | 102 | 40 Ų | 40 | 47% | 0.472 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -72.1 | -42 | 179 | -62.8 | -115.4 | 0 | 0 | 0 | 112 | Y160 E162 N200 Y206 | Y160-H202 HydrophobicContact CE1-CB 4.11Å; Y160-H202 PolarHBondContact OH-O 3.24Å; Y160-H202 VanDerWaalsContact OH-O 3.07Å; E162-H202 VanDerWaalsContact CD-ND1 3.34Å; E162-H202 IonicContact OE1-CE1 3.79Å; E162-H202 PolarHBondContact OE1-CE1 3.42Å; E162-H202 IonicContact OE1-CG 3.52Å; E162-H202 IonicContact OE1-ND1 3.61Å; E162-H202 PolarHBondContact OE1-ND1 2.86Å; E162-H202 IonicContact OE2-ND1 2.71Å; N200-H202 PolarHBondContact O-N 3.27Å; N200-H202 PolarHBondContact OD1-N 3.2Å; H202-Y206 PolarHBondContact O-N 2.91Å |
| 203 | M | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.1 | -43.4 | 172.1 | 179 | -158.4 | 67.7 | 0 | 0 | 111.1 | V156 Y160 F167 V195 V198 N200 Y206 I207 | V156-M203 HydrophobicContact CG2-CG 4.41Å; V156-M203 HydrophobicContact CG2-SD 3.41Å; V156-M203 WeakPolarHBondContact CG2-SD 3.35Å; Y160-M203 HydrophobicContact CD1-CB 3.65Å; Y160-M203 HydrophobicContact CD1-CG 4.25Å; Y160-M203 VanDerWaalsContact CE1-CA 3.47Å; Y160-M203 HydrophobicContact CE1-CB 3.95Å; Y160-M203 HydrophobicContact CG-CB 4.11Å; Y160-M203 HydrophobicContact CG-CG 4.2Å; F167-M203 HydrophobicContact CD1-CG 3.88Å; F167-M203 HydrophobicContact CD1-SD 4.28Å; F167-M203 HydrophobicContact CE1-CG 3.58Å; F167-M203 HydrophobicContact CE1-SD 3.38Å; F167-M203 WeakPolarHBondContact CE1-SD 3.42Å; F167-M203 HydrophobicContact CZ-CG 4.41Å; F167-M203 HydrophobicContact CZ-SD 3.78Å; V195-M203 HydrophobicContact CG1-CE 4.34Å; V195-M203 HydrophobicContact CG1-SD 4.2Å; V195-M203 WeakPolarHBondContact O-CE 3.32Å; V198-M203 HydrophobicContact CB-CE 4.13Å; V198-M203 HydrophobicContact CG1-CE 4.45Å; V198-M203 WeakPolarHBondContact O-CE 3.11Å; N200-M203 HydrophobicContact CB-CB 4.03Å; N200-M203 HydrophobicContact CB-CE 4.41Å; N200-M203 WeakPolarHBondContact O-CB 3.32Å; N200-M203 PolarHBondContact O-N 3.29Å; N200-M203 WeakPolarHBondContact OD1-CB 3.34Å; N200-M203 PolarHBondContact OD1-N 3.12Å; M203-Y206 WeakPolarHBondContact O-CB 3.14Å; M203-Y206 PolarHBondContact O-N 3.47Å; M203-I207 HydrophobicContact CE-CD1 4.16Å; M203-I207 HydrophobicContact CG-CD1 4.06Å; M203-I207 WeakPolarHBondContact O-CG1 3.43Å; M203-I207 PolarHBondContact O-N 2.82Å; M203-I207 HydrophobicContact SD-CD1 4.37Å |
| 204 | L | 90.9 | Very high | 90.8 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.5 | -42.8 | -177.8 | -74.6 | 179.7 | 0 | 0 | 0 | 112.2 | N200 I207 R208 F270 | N200-L204 WeakPolarHBondContact O-CB 3.33Å; N200-L204 VanDerWaalsContact O-CG 3.31Å; N200-L204 WeakPolarHBondContact O-CG 3.27Å; N200-L204 PolarHBondContact O-N 3.5Å; L204-I207 PolarHBondContact O-N 3.46Å; L204-R208 PolarHBondContact O-N 2.81Å; L204-F270 HydrophobicContact CB-CE1 4.09Å; L204-F270 HydrophobicContact CB-CE2 4.32Å; L204-F270 HydrophobicContact CB-CZ 3.53Å; L204-F270 HydrophobicContact CD1-CE1 4.35Å; L204-F270 HydrophobicContact CD1-CZ 4.22Å; L204-F270 HydrophobicContact CD2-CZ 4.05Å; L204-F270 HydrophobicContact CG-CZ 4.11Å |
| 205 | H | 89.1 | Confident | 90.7 | Very high | 82 Ų | 82 | 42 Ų | 42 | 38% | 0.38 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.2 | -39 | 169.6 | -74.3 | -9.9 | 0 | 0 | 0 | 112.9 | Q201 R208 D209 | Q201-H205 WeakPolarHBondContact O-CB 3.45Å; Q201-H205 VanDerWaalsContact O-CG 3.32Å; Q201-H205 PolarHBondContact O-N 3.44Å; H205-R208 PolarHBondContact ND1-NH1 2.94Å; H205-R208 PolarHBondContact O-N 2.93Å; H205-D209 VanDerWaalsContact O-CB 3.31Å; H205-D209 WeakPolarHBondContact O-CB 3.42Å; H205-D209 PolarHBondContact O-N 3.46Å |
| 206 | Y | 90.4 | Very high | 90.7 | Very high | 8 Ų | 8 | 42 Ų | 42 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.8 | -45.8 | 173 | 164 | -95.6 | 0 | 0 | 0 | 111.8 | Y160 N165 F167 T171 H202 M203 D209 K210 T211 | Y160-Y206 HydrophobicContact CD2-CD1 4.31Å; Y160-Y206 AromaticContact CE2-CD1 3.91Å; Y160-Y206 HydrophobicContact CE2-CD1 3.91Å; Y160-Y206 HydrophobicContact CE2-CD2 4.19Å; Y160-Y206 AromaticContact CE2-CG 3.68Å; Y160-Y206 HydrophobicContact CE2-CG 3.68Å; Y160-Y206 WeakPolarHBondContact OH-CB 3.48Å; N165-Y206 HydrophobicContact CB-CD2 3.82Å; N165-Y206 HydrophobicContact CB-CE2 3.88Å; N165-Y206 WeakPolarHBondContact O-CE2 3.3Å; N165-Y206 PolarHBondContact O-OH 3.31Å; F167-Y206 HydrophobicContact CB-CD1 4.36Å; F167-Y206 HydrophobicContact CB-CE1 3.74Å; T171-Y206 HydrophobicContact CG2-CE1 4.41Å; T171-Y206 WeakPolarHBondContact CG2-OH 3.35Å; H202-Y206 PolarHBondContact O-N 2.91Å; M203-Y206 WeakPolarHBondContact O-CB 3.14Å; M203-Y206 PolarHBondContact O-N 3.47Å; Y206-D209 PolarHBondContact O-N 2.7Å; Y206-K210 HydrophobicContact CD2-CB 4.19Å; Y206-K210 HydrophobicContact CD2-CG 3.69Å; Y206-K210 HydrophobicContact CE2-CB 3.92Å; Y206-K210 HydrophobicContact CE2-CG 3.7Å; Y206-K210 VanDerWaalsContact O-CB 3.25Å; Y206-K210 WeakPolarHBondContact O-CB 3.34Å; Y206-K210 WeakPolarHBondContact O-CG 3.42Å; Y206-K210 PolarHBondContact O-N 3.49Å; Y206-T211 HydrophobicContact CE1-CG2 4.32Å |
| 207 | I | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.6 | -53.2 | 176.5 | -73.2 | 167.3 | 0 | 0 | 0 | 109.8 | F167 Y170 V195 Y196 M203 L204 D209 K210 T211 A212 L271 | F167-I207 HydrophobicContact CE1-CD1 4.3Å; Y170-I207 HydrophobicContact CD1-CG1 4.44Å; Y170-I207 HydrophobicContact CE1-CG1 4.11Å; V195-I207 HydrophobicContact CG1-CD1 3.72Å; Y196-I207 HydrophobicContact CD1-CD1 4.41Å; Y196-I207 HydrophobicContact CE1-CD1 4.39Å; Y196-I207 HydrophobicContact CE1-CG2 4.01Å; M203-I207 HydrophobicContact CE-CD1 4.16Å; M203-I207 HydrophobicContact CG-CD1 4.06Å; M203-I207 WeakPolarHBondContact O-CG1 3.43Å; M203-I207 PolarHBondContact O-N 2.82Å; M203-I207 HydrophobicContact SD-CD1 4.37Å; L204-I207 PolarHBondContact O-N 3.46Å; I207-D209 PolarHBondContact O-N 2.97Å; I207-K210 PolarHBondContact O-N 3.17Å; I207-T211 WeakPolarHBondContact CA-OG1 3.18Å; I207-T211 PolarHBondContact O-N 3.48Å; I207-T211 PolarHBondContact O-OG1 3.32Å; I207-A212 HydrophobicContact CG2-CB 4.4Å; I207-A212 PolarHBondContact O-N 3.48Å; I207-L271 HydrophobicContact CG2-CD1 4.22Å |
| 208 | R | 88.8 | Confident | 90.5 | Very high | 75 Ų | 75 | 36.6 Ų | 36.6 | 28% | 0.283 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -53.1 | -52 | 177.3 | -170.2 | -169 | 67.1 | -153 | -11 | 112.3 | L204 H205 K210 F270 V274 | L204-R208 PolarHBondContact O-N 2.81Å; H205-R208 PolarHBondContact ND1-NH1 2.94Å; H205-R208 PolarHBondContact O-N 2.93Å; R208-K210 PolarHBondContact O-N 3.01Å; R208-F270 HydrophobicContact CB-CD2 3.72Å; R208-F270 HydrophobicContact CB-CE2 4.05Å; R208-F270 HydrophobicContact CG-CD2 3.8Å; R208-V274 HydrophobicContact CG-CG2 4.35Å |
| 209 | D | 86.2 | Confident | 90.6 | Very high | 88 Ų | 88 | 36.7 Ų | 36.7 | 47% | 0.471 | 18% | 0.182 | S | C | . | . | I | π-helix | trans | -84.6 | -6.7 | -168.1 | -68.4 | 3.1 | 0 | 0 | 0 | 114.4 | H205 Y206 I207 | H205-D209 VanDerWaalsContact O-CB 3.31Å; H205-D209 WeakPolarHBondContact O-CB 3.42Å; H205-D209 PolarHBondContact O-N 3.46Å; Y206-D209 PolarHBondContact O-N 2.7Å; I207-D209 PolarHBondContact O-N 2.97Å |
| 210 | K | 87.3 | Confident | 90.9 | Very high | 77 Ų | 77 | 32.2 Ų | 32.2 | 34% | 0.335 | 16% | 0.158 | S | C | . | . | I | π-helix | trans | -133.8 | -28.3 | -174 | -56.8 | -72.9 | 164.1 | -82.8 | 0 | 114.6 | Y206 I207 R208 | Y206-K210 HydrophobicContact CD2-CB 4.19Å; Y206-K210 HydrophobicContact CD2-CG 3.69Å; Y206-K210 HydrophobicContact CE2-CB 3.92Å; Y206-K210 HydrophobicContact CE2-CG 3.7Å; Y206-K210 VanDerWaalsContact O-CB 3.25Å; Y206-K210 WeakPolarHBondContact O-CB 3.34Å; Y206-K210 WeakPolarHBondContact O-CG 3.42Å; Y206-K210 PolarHBondContact O-N 3.49Å; I207-K210 PolarHBondContact O-N 3.17Å; R208-K210 PolarHBondContact O-N 3.01Å |
| 211 | T | 90.1 | Very high | 91 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -130.1 | -36.8 | -168.3 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | Y170 T171 Y206 I207 V213 P214 Y215 L374 | Y170-T211 HydrophobicContact CE1-CG2 3.98Å; Y170-T211 VanDerWaalsContact CE1-OG1 3.28Å; Y170-T211 WeakPolarHBondContact CE1-OG1 3.27Å; Y170-T211 PolarHBondContact OH-OG1 2.93Å; T171-T211 HydrophobicContact CG2-CG2 4.36Å; Y206-T211 HydrophobicContact CE1-CG2 4.32Å; I207-T211 WeakPolarHBondContact CA-OG1 3.18Å; I207-T211 PolarHBondContact O-N 3.48Å; I207-T211 PolarHBondContact O-OG1 3.32Å; T211-V213 PolarHBondContact O-N 3.21Å; T211-P214 VanDerWaalsContact O-CD 3.24Å; T211-P214 WeakPolarHBondContact O-CD 3.14Å; T211-P214 WeakPolarHBondContact O-CG 3.49Å; T211-Y215 WeakPolarHBondContact O-CB 3.43Å; T211-Y215 PolarHBondContact O-N 2.65Å; T211-L374 HydrophobicContact CG2-CD2 3.69Å |
| 212 | A | 89.6 | Confident | 91.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -59.5 | -48.6 | -174 | 0 | 0 | 0 | 0 | 0 | 112.4 | I207 Y215 F216 L271 V274 | I207-A212 HydrophobicContact CG2-CB 4.4Å; I207-A212 PolarHBondContact O-N 3.48Å; A212-Y215 PolarHBondContact O-N 3.05Å; A212-F216 HydrophobicContact CB-CD2 4.25Å; A212-F216 HydrophobicContact CB-CE2 4.12Å; A212-F216 WeakPolarHBondContact O-CB 3.14Å; A212-F216 WeakPolarHBondContact O-CD2 3.48Å; A212-F216 WeakPolarHBondContact O-CG 3.28Å; A212-F216 PolarHBondContact O-N 3.22Å; A212-L271 HydrophobicContact CB-CD1 3.95Å; A212-V274 HydrophobicContact CB-CG1 4.46Å |
| 213 | V | 89.6 | Confident | 91.5 | Very high | 67 Ų | 67 | 26.5 Ų | 26.5 | 41% | 0.406 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -58.7 | -55.8 | 178.4 | 177.6 | 0 | 0 | 0 | 0 | 112.8 | T211 Y215 S217 V274 | T211-V213 PolarHBondContact O-N 3.21Å; V213-Y215 VanDerWaalsContact C-N 3.33Å; V213-Y215 PolarHBondContact O-N 3.22Å; V213-S217 VanDerWaalsContact O-CB 3.24Å; V213-S217 WeakPolarHBondContact O-CB 3.32Å; V213-S217 PolarHBondContact O-N 3.4Å; V213-V274 HydrophobicContact CG2-CG1 3.81Å |
| 214 | P | 90.9 | Very high | 91.6 | Very high | 27 Ų | 27 | 26.5 Ų | 26.5 | 18% | 0.175 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.3 | -31.4 | 177.4 | 25.2 | -33.4 | 0 | 0 | 0 | 113.1 | T211 N218 L370 | T211-P214 VanDerWaalsContact O-CD 3.24Å; T211-P214 WeakPolarHBondContact O-CD 3.14Å; T211-P214 WeakPolarHBondContact O-CG 3.49Å; P214-N218 WeakPolarHBondContact O-CB 3.44Å; P214-N218 PolarHBondContact O-N 2.89Å; P214-N218 PolarHBondContact O-ND2 3.11Å; P214-L370 HydrophobicContact CB-CD1 4.15Å |
| 215 | Y | 93.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.6 | -59.4 | 176.2 | 177.7 | -108.4 | 0 | 0 | 0 | 111.3 | I174 F177 T211 A212 V213 S217 N218 L219 Y259 L370 | I174-Y215 HydrophobicContact CB-CD2 4Å; I174-Y215 HydrophobicContact CB-CE2 4.07Å; I174-Y215 HydrophobicContact CD1-CD2 4.48Å; I174-Y215 HydrophobicContact CG2-CD2 4.3Å; I174-Y215 HydrophobicContact CG2-CE2 4.2Å; F177-Y215 HydrophobicContact CB-CE2 3.77Å; F177-Y215 HydrophobicContact CD2-CE2 4.37Å; F177-Y215 HydrophobicContact CG-CE2 4.03Å; T211-Y215 WeakPolarHBondContact O-CB 3.43Å; T211-Y215 PolarHBondContact O-N 2.65Å; A212-Y215 PolarHBondContact O-N 3.05Å; V213-Y215 VanDerWaalsContact C-N 3.33Å; V213-Y215 PolarHBondContact O-N 3.22Å; Y215-S217 VanDerWaalsContact C-N 3.34Å; Y215-S217 PolarHBondContact O-N 3.35Å; Y215-N218 PolarHBondContact O-N 3.15Å; Y215-L219 HydrophobicContact CE1-CD2 4.13Å; Y215-L219 WeakPolarHBondContact O-CB 3.48Å; Y215-L219 PolarHBondContact O-N 3Å; Y215-Y259 PolarHBondContact OH-OH 3.21Å; Y215-L370 HydrophobicContact CD2-CD2 3.83Å |
| 216 | F | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.1 | -37.9 | 179.9 | -63.8 | -34.8 | 0 | 0 | 0 | 111.9 | A212 N218 L219 V220 I263 L271 V274 L275 H278 | A212-F216 HydrophobicContact CB-CD2 4.25Å; A212-F216 HydrophobicContact CB-CE2 4.12Å; A212-F216 WeakPolarHBondContact O-CB 3.14Å; A212-F216 WeakPolarHBondContact O-CD2 3.48Å; A212-F216 WeakPolarHBondContact O-CG 3.28Å; A212-F216 PolarHBondContact O-N 3.22Å; F216-N218 VanDerWaalsContact C-N 3.26Å; F216-N218 PolarHBondContact O-N 3.08Å; F216-L219 HydrophobicContact CD1-CD2 4.24Å; F216-L219 PolarHBondContact O-N 2.98Å; F216-V220 VanDerWaalsContact O-CB 3.26Å; F216-V220 WeakPolarHBondContact O-CB 3.31Å; F216-V220 VanDerWaalsContact O-CG2 3.22Å; F216-V220 WeakPolarHBondContact O-CG2 3.22Å; F216-V220 PolarHBondContact O-N 2.88Å; F216-I263 HydrophobicContact CE1-CD1 4.12Å; F216-I263 HydrophobicContact CZ-CG2 4.44Å; F216-L271 HydrophobicContact CE2-CD1 3.62Å; F216-L271 HydrophobicContact CE2-CG 3.96Å; F216-L271 HydrophobicContact CZ-CD1 3.72Å; F216-L271 HydrophobicContact CZ-CD2 4.36Å; F216-L271 HydrophobicContact CZ-CG 3.87Å; F216-V274 HydrophobicContact CD2-CG1 4.1Å; F216-L275 HydrophobicContact CB-CD1 4.29Å; F216-L275 HydrophobicContact CD1-CD1 3.77Å; F216-L275 HydrophobicContact CD2-CB 4.04Å; F216-L275 HydrophobicContact CD2-CD1 4.12Å; F216-L275 HydrophobicContact CE1-CD1 4.04Å; F216-L275 HydrophobicContact CE1-CD2 4.43Å; F216-L275 HydrophobicContact CE2-CB 3.81Å; F216-L275 HydrophobicContact CE2-CD1 4.36Å; F216-L275 HydrophobicContact CG-CD1 3.83Å; F216-L275 HydrophobicContact CZ-CB 4.2Å; F216-L275 HydrophobicContact CZ-CD1 4.32Å; F216-L275 HydrophobicContact CZ-CD2 4.33Å; F216-H278 HydrophobicContact CB-CB 4.33Å |
| 217 | S | 92.6 | Very high | 92 | Very high | 11 Ų | 11 | 24.3 Ų | 24.3 | 8% | 0.077 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.1 | -28.5 | 174.4 | -169.6 | 0 | 0 | 0 | 0 | 113.7 | V213 Y215 W221 R282 P366 | V213-S217 VanDerWaalsContact O-CB 3.24Å; V213-S217 WeakPolarHBondContact O-CB 3.32Å; V213-S217 PolarHBondContact O-N 3.4Å; Y215-S217 VanDerWaalsContact C-N 3.34Å; Y215-S217 PolarHBondContact O-N 3.35Å; S217-W221 WeakPolarHBondContact O-CB 3.33Å; S217-W221 PolarHBondContact O-N 3.49Å; S217-R282 PolarHBondContact OG-NH1 2.68Å; S217-P366 WeakPolarHBondContact O-CG 3.31Å |
| 218 | N | 93.3 | Very high | 92 | Very high | 14 Ų | 14 | 25.3 Ų | 25.3 | 8% | 0.075 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -83.2 | -38.9 | 174.3 | -83.2 | -91.9 | 0 | 0 | 0 | 111.9 | F177 P214 Y215 F216 W221 F222 L370 | F177-N218 HydrophobicContact CE2-CB 4.27Å; F177-N218 HydrophobicContact CZ-CB 3.77Å; P214-N218 WeakPolarHBondContact O-CB 3.44Å; P214-N218 PolarHBondContact O-N 2.89Å; P214-N218 PolarHBondContact O-ND2 3.11Å; Y215-N218 PolarHBondContact O-N 3.15Å; F216-N218 VanDerWaalsContact C-N 3.26Å; F216-N218 PolarHBondContact O-N 3.08Å; N218-W221 PolarHBondContact O-N 3.15Å; N218-F222 WeakPolarHBondContact O-CB 3.47Å; N218-F222 PolarHBondContact O-N 3.24Å; N218-L370 HydrophobicContact CB-CB 4.42Å |
| 219 | L | 94.8 | Very high | 92.2 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 5% | 0.047 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.9 | -52.3 | 174.4 | 178.3 | 64.6 | 0 | 0 | 0 | 111.5 | F177 Y215 F216 W221 F222 I223 Y259 L260 | F177-L219 HydrophobicContact CD2-CB 4.5Å; F177-L219 HydrophobicContact CD2-CD1 4.28Å; F177-L219 HydrophobicContact CE2-CB 4.5Å; Y215-L219 HydrophobicContact CE1-CD2 4.13Å; Y215-L219 WeakPolarHBondContact O-CB 3.48Å; Y215-L219 PolarHBondContact O-N 3Å; F216-L219 HydrophobicContact CD1-CD2 4.24Å; F216-L219 PolarHBondContact O-N 2.98Å; L219-W221 VanDerWaalsContact C-N 3.3Å; L219-W221 PolarHBondContact O-N 2.95Å; L219-F222 WeakPolarHBondContact O-CB 3.27Å; L219-F222 PolarHBondContact O-N 3.33Å; L219-F222 VanDerWaalsContact O-N 3.09Å; L219-I223 HydrophobicContact CD1-CD1 4.18Å; L219-I223 HydrophobicContact CD1-CG1 4.47Å; L219-I223 HydrophobicContact CG-CD1 4Å; L219-I223 VanDerWaalsContact O-CG1 3.3Å; L219-I223 WeakPolarHBondContact O-CG1 3.2Å; L219-I223 PolarHBondContact O-N 2.97Å; L219-Y259 HydrophobicContact CD1-CE1 4.43Å; L219-Y259 HydrophobicContact CD2-CD1 4.48Å; L219-Y259 HydrophobicContact CD2-CE1 3.91Å; L219-L260 HydrophobicContact CD2-CD2 4.16Å |
| 220 | V | 94.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.6 | -34.9 | -178.9 | 174.6 | 0 | 0 | 0 | 0 | 111.7 | F216 G224 H278 L279 R282 L283 | F216-V220 VanDerWaalsContact O-CB 3.26Å; F216-V220 WeakPolarHBondContact O-CB 3.31Å; F216-V220 VanDerWaalsContact O-CG2 3.22Å; F216-V220 WeakPolarHBondContact O-CG2 3.22Å; F216-V220 PolarHBondContact O-N 2.88Å; V220-G224 PolarHBondContact O-N 2.82Å; V220-H278 HydrophobicContact CG2-CB 4.21Å; V220-L279 HydrophobicContact CG2-CD2 3.89Å; V220-L279 HydrophobicContact CG2-CG 4.46Å; V220-R282 HydrophobicContact CG1-CB 4.28Å; V220-L283 HydrophobicContact CG1-CB 3.45Å; V220-L283 VanDerWaalsContact CG1-CB 3.45Å; V220-L283 HydrophobicContact CG1-CD2 4.13Å; V220-L283 HydrophobicContact CG1-CG 4.33Å |
| 221 | W | 93.3 | Very high | 92.7 | Very high | 56 Ų | 56 | 18.4 Ų | 18.4 | 21% | 0.212 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.3 | -37.6 | 172 | 175 | 70.1 | 0 | 0 | 0 | 112.9 | S217 N218 L219 S225 F363 K365 P366 | S217-W221 WeakPolarHBondContact O-CB 3.33Å; S217-W221 PolarHBondContact O-N 3.49Å; N218-W221 PolarHBondContact O-N 3.15Å; L219-W221 VanDerWaalsContact C-N 3.3Å; L219-W221 PolarHBondContact O-N 2.95Å; W221-S225 VanDerWaalsContact CE2-OG 3.29Å; W221-S225 PolarHBondContact NE1-OG 2.98Å; W221-S225 VanDerWaalsContact O-CB 3.31Å; W221-S225 WeakPolarHBondContact O-CB 3.27Å; W221-S225 PolarHBondContact O-N 3.48Å; W221-S225 PolarHBondContact O-OG 3.47Å; W221-F363 AromaticContact CD1-CE1 3.93Å; W221-F363 AromaticContact CD1-CZ 3.67Å; W221-F363 HydrophobicContact CG-CZ 4.49Å; W221-K365 HydrophobicContact CD2-CG 4.05Å; W221-K365 HydrophobicContact CH2-CD 4.15Å; W221-K365 HydrophobicContact CH2-CG 4.44Å; W221-K365 HydrophobicContact CZ2-CB 4.44Å; W221-K365 HydrophobicContact CZ2-CD 3.73Å; W221-K365 HydrophobicContact CZ2-CG 3.84Å; W221-P366 HydrophobicContact CB-CG 3.99Å; W221-P366 VanDerWaalsContact CG-CD 3.41Å; W221-P366 HydrophobicContact CG-CG 4.33Å |
| 222 | F | 93.5 | Very high | 92.7 | Very high | 31 Ų | 31 | 24.1 Ų | 24.1 | 14% | 0.136 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.7 | -49.1 | 174.5 | 167.4 | -112.1 | 0 | 0 | 0 | 111 | F177 N178 N218 L219 G224 S225 H226 H256 | F177-F222 HydrophobicContact CE2-CB 4.45Å; N178-F222 WeakPolarHBondContact OD1-CD2 3.48Å; N178-F222 WeakPolarHBondContact OD1-CE2 3.14Å; N218-F222 WeakPolarHBondContact O-CB 3.47Å; N218-F222 PolarHBondContact O-N 3.24Å; L219-F222 WeakPolarHBondContact O-CB 3.27Å; L219-F222 PolarHBondContact O-N 3.33Å; L219-F222 VanDerWaalsContact O-N 3.09Å; F222-G224 PolarHBondContact O-N 3.41Å; F222-S225 WeakPolarHBondContact O-CB 3.37Å; F222-S225 PolarHBondContact O-N 3.3Å; F222-H226 PolarHBondContact O-N 3.15Å; F222-H256 AromaticContact CE1-CE1 3.61Å; F222-H256 AromaticContact CE1-NE2 3.38Å; F222-H256 WeakPolarHBondContact CE1-NE2 3.24Å; F222-H256 AromaticContact CZ-NE2 3.96Å |
| 223 | I | 94.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.2 | -48.8 | 177 | -63.3 | 170 | 0 | 0 | 0 | 111.1 | L219 S225 H226 V227 H256 L260 L283 | L219-I223 HydrophobicContact CD1-CD1 4.18Å; L219-I223 HydrophobicContact CD1-CG1 4.47Å; L219-I223 HydrophobicContact CG-CD1 4Å; L219-I223 VanDerWaalsContact O-CG1 3.3Å; L219-I223 WeakPolarHBondContact O-CG1 3.2Å; L219-I223 PolarHBondContact O-N 2.97Å; I223-S225 VanDerWaalsContact C-N 3.32Å; I223-S225 PolarHBondContact O-N 2.96Å; I223-H226 WeakPolarHBondContact O-CB 3.39Å; I223-H226 PolarHBondContact O-N 3.19Å; I223-V227 PolarHBondContact O-N 3.47Å; I223-H256 HydrophobicContact CD1-CB 4.11Å; I223-H256 HydrophobicContact CG1-CB 4.07Å; I223-L260 HydrophobicContact CD1-CD1 3.82Å; I223-L260 HydrophobicContact CD1-CD2 4.47Å; I223-L260 HydrophobicContact CD1-CG 4.31Å; I223-L283 HydrophobicContact CB-CD2 4.41Å; I223-L283 HydrophobicContact CG2-CD2 3.88Å |
| 224 | G | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.9 | -28.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V220 F222 I228 | V220-G224 PolarHBondContact O-N 2.82Å; F222-G224 PolarHBondContact O-N 3.41Å; G224-I228 WeakPolarHBondContact O-CD1 3.34Å; G224-I228 VanDerWaalsContact O-CG1 3.28Å; G224-I228 WeakPolarHBondContact O-CG1 3.34Å; G224-I228 PolarHBondContact O-N 2.93Å; G224-I228 VanDerWaalsContact O-N 3.09Å |
| 225 | S | 92.1 | Very high | 92.5 | Very high | 33 Ų | 33 | 25.2 Ų | 25.2 | 23% | 0.231 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70.5 | -37 | 173.2 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | W221 F222 I223 I228 E229 | W221-S225 VanDerWaalsContact CE2-OG 3.29Å; W221-S225 PolarHBondContact NE1-OG 2.98Å; W221-S225 VanDerWaalsContact O-CB 3.31Å; W221-S225 WeakPolarHBondContact O-CB 3.27Å; W221-S225 PolarHBondContact O-N 3.48Å; W221-S225 PolarHBondContact O-OG 3.47Å; F222-S225 WeakPolarHBondContact O-CB 3.37Å; F222-S225 PolarHBondContact O-N 3.3Å; I223-S225 VanDerWaalsContact C-N 3.32Å; I223-S225 PolarHBondContact O-N 2.96Å; S225-I228 PolarHBondContact O-N 3.43Å; S225-E229 PolarHBondContact O-N 3.48Å |
| 226 | H | 92.8 | Very high | 92 | Very high | 17 Ų | 17 | 30 Ų | 30 | 8% | 0.079 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.4 | -42.4 | 173.3 | -176.6 | -125.8 | 0 | 0 | 0 | 111.6 | F222 I223 I228 E229 L230 L249 H256 | F222-H226 PolarHBondContact O-N 3.15Å; I223-H226 WeakPolarHBondContact O-CB 3.39Å; I223-H226 PolarHBondContact O-N 3.19Å; H226-I228 VanDerWaalsContact C-N 3.29Å; H226-I228 PolarHBondContact O-N 3.36Å; H226-E229 WeakPolarHBondContact O-CA 3.25Å; H226-E229 WeakPolarHBondContact O-CB 3.34Å; H226-E229 PolarHBondContact O-N 3.34Å; H226-L230 PolarHBondContact O-N 2.94Å; H226-L249 PolarHBondContact CE1-O 3.16Å; H226-L249 WeakPolarHBondContact NE2-CD2 3.39Å; H226-H256 AromaticContact ND1-NE2 3.85Å |
| 227 | V | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.1 | -39.3 | 171.1 | 159.8 | 0 | 0 | 0 | 0 | 112.5 | I223 E229 L230 D231 L287 Y288 I303 L311 | I223-V227 PolarHBondContact O-N 3.47Å; V227-E229 VanDerWaalsContact C-N 3.26Å; V227-E229 PolarHBondContact O-N 3.03Å; V227-L230 PolarHBondContact O-N 2.72Å; V227-D231 PolarHBondContact O-N 3.44Å; V227-L287 HydrophobicContact CG1-CD2 4.12Å; V227-Y288 HydrophobicContact CG1-CE1 4.08Å; V227-Y288 HydrophobicContact CG2-CE1 4.21Å; V227-I303 HydrophobicContact CG1-CD1 3.94Å; V227-I303 HydrophobicContact CG1-CG2 4.14Å; V227-L311 HydrophobicContact CB-CD1 4.3Å; V227-L311 HydrophobicContact CG1-CD1 3.47Å; V227-L311 VanDerWaalsContact CG1-CD1 3.47Å; V227-L311 HydrophobicContact CG2-CD1 3.85Å; V227-L311 HydrophobicContact CG2-CD2 4.17Å |
| 228 | I | 92.4 | Very high | 90.1 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 11% | 0.113 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.2 | -20.2 | 175.6 | -69.4 | 163.3 | 0 | 0 | 0 | 112.3 | G224 S225 H226 K232 L287 I303 F363 | G224-I228 WeakPolarHBondContact O-CD1 3.34Å; G224-I228 VanDerWaalsContact O-CG1 3.28Å; G224-I228 WeakPolarHBondContact O-CG1 3.34Å; G224-I228 PolarHBondContact O-N 2.93Å; G224-I228 VanDerWaalsContact O-N 3.09Å; S225-I228 PolarHBondContact O-N 3.43Å; H226-I228 VanDerWaalsContact C-N 3.29Å; H226-I228 PolarHBondContact O-N 3.36Å; I228-K232 VanDerWaalsContact O-CD 3.27Å; I228-K232 WeakPolarHBondContact O-CD 3.35Å; I228-K232 VanDerWaalsContact O-CG 3.23Å; I228-K232 WeakPolarHBondContact O-CG 3.49Å; I228-L287 HydrophobicContact CD1-CD1 4.1Å; I228-L287 HydrophobicContact CD1-CD2 4.36Å; I228-L287 HydrophobicContact CG1-CD1 4.25Å; I228-L287 HydrophobicContact CG1-CD2 4.39Å; I228-I303 HydrophobicContact CG1-CG2 4.1Å; I228-F363 HydrophobicContact CD1-CD1 4.13Å; I228-F363 HydrophobicContact CD1-CE1 3.84Å |
| 229 | E | 91.7 | Very high | 88.8 | Confident | 87 Ų | 87 | 41.3 Ų | 41.3 | 41% | 0.407 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -81.3 | -39.3 | 168.7 | -176.9 | 163 | 177.9 | 0 | 0 | 112.2 | S225 H226 V227 K232 C233 K245 L249 | S225-E229 PolarHBondContact O-N 3.48Å; H226-E229 WeakPolarHBondContact O-CA 3.25Å; H226-E229 WeakPolarHBondContact O-CB 3.34Å; H226-E229 PolarHBondContact O-N 3.34Å; V227-E229 VanDerWaalsContact C-N 3.26Å; V227-E229 PolarHBondContact O-N 3.03Å; E229-K232 PolarHBondContact O-N 3.16Å; E229-C233 WeakPolarHBondContact O-CB 3.28Å; E229-C233 PolarHBondContact O-N 3.22Å; E229-K245 WeakPolarHBondContact OE1-CE 3.48Å; E229-K245 IonicContact OE1-NZ 2.76Å; E229-K245 PolarHBondContact OE1-NZ 2.8Å; E229-L249 HydrophobicContact CG-CD1 4.35Å; E229-L249 HydrophobicContact CG-CD2 4.37Å |
| 230 | L | 92.9 | Very high | 88 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.6 | -49.5 | 173.4 | -173.1 | 162.8 | 0 | 0 | 0 | 111.3 | H226 V227 K232 C233 V234 L246 L249 V250 V307 L627 | H226-L230 PolarHBondContact O-N 2.94Å; V227-L230 PolarHBondContact O-N 2.72Å; L230-K232 PolarHBondContact O-N 3.21Å; L230-C233 VanDerWaalsContact O-CB 3.32Å; L230-C233 WeakPolarHBondContact O-CB 3.4Å; L230-C233 PolarHBondContact O-N 2.9Å; L230-C233 VanDerWaalsContact O-N 3.08Å; L230-V234 HydrophobicContact CD2-CG2 4.29Å; L230-V234 PolarHBondContact O-N 3.1Å; L230-L246 HydrophobicContact CD2-CD1 4.48Å; L230-L246 HydrophobicContact CG-CD1 4.28Å; L230-L249 HydrophobicContact CB-CB 4.4Å; L230-L249 HydrophobicContact CD1-CB 4.44Å; L230-L249 HydrophobicContact CG-CB 4.38Å; L230-V250 HydrophobicContact CD1-CG2 4Å; L230-V307 HydrophobicContact CD2-CG1 3.81Å; L230-L627 HydrophobicContact CD2-CD1 3.95Å |
| 231 | D | 92.3 | Very high | 87.2 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.032 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.1 | -42.7 | 177.1 | 178.7 | 70.2 | 0 | 0 | 0 | 112.4 | V227 C233 V234 Q235 I303 N304 V307 | V227-D231 PolarHBondContact O-N 3.44Å; D231-C233 VanDerWaalsContact C-N 3.35Å; D231-C233 PolarHBondContact O-N 3.49Å; D231-V234 PolarHBondContact O-N 3.09Å; D231-Q235 WeakPolarHBondContact O-CG 3.37Å; D231-Q235 PolarHBondContact O-N 3.37Å; D231-Q235 PolarHBondContact OD2-NE2 3.04Å; D231-I303 HydrophobicContact CB-CB 4.07Å; D231-I303 HydrophobicContact CB-CG2 3.82Å; D231-N304 WeakPolarHBondContact OD1-CB 3.49Å; D231-N304 PolarHBondContact OD1-N 3.46Å; D231-N304 PolarHBondContact OD1-ND2 2.84Å; D231-N304 PolarHBondContact OD2-ND2 2.97Å; D231-V307 HydrophobicContact CB-CG1 4.23Å; D231-V307 HydrophobicContact CB-CG2 4.48Å; D231-V307 WeakPolarHBondContact OD1-CG2 3.11Å |
| 232 | K | 90.4 | Very high | 86.5 | Confident | 121 Ų | 121 | 49.7 Ų | 49.7 | 53% | 0.526 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.2 | -40 | 173 | -72.6 | 168.7 | -170.2 | 169 | 0 | 112.4 | I228 E229 L230 V234 Q235 T236 | I228-K232 VanDerWaalsContact O-CD 3.27Å; I228-K232 WeakPolarHBondContact O-CD 3.35Å; I228-K232 VanDerWaalsContact O-CG 3.23Å; I228-K232 WeakPolarHBondContact O-CG 3.49Å; E229-K232 PolarHBondContact O-N 3.16Å; L230-K232 PolarHBondContact O-N 3.21Å; K232-V234 VanDerWaalsContact C-N 3.31Å; K232-V234 PolarHBondContact O-N 2.71Å; K232-Q235 PolarHBondContact O-N 2.95Å; K232-T236 WeakPolarHBondContact O-CG2 3.31Å; K232-T236 PolarHBondContact O-N 2.94Å; K232-T236 PolarHBondContact O-OG1 2.88Å; K232-T236 VanDerWaalsContact O-OG1 3.06Å |
| 233 | C | 90 | Very high | 86 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 5% | 0.054 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.4 | -46 | 178.1 | -165.4 | 0 | 0 | 0 | 0 | 110.3 | E229 L230 D231 T236 D237 L246 L249 | E229-C233 WeakPolarHBondContact O-CB 3.28Å; E229-C233 PolarHBondContact O-N 3.22Å; L230-C233 VanDerWaalsContact O-CB 3.32Å; L230-C233 WeakPolarHBondContact O-CB 3.4Å; L230-C233 PolarHBondContact O-N 2.9Å; L230-C233 VanDerWaalsContact O-N 3.08Å; D231-C233 VanDerWaalsContact C-N 3.35Å; D231-C233 PolarHBondContact O-N 3.49Å; C233-T236 PolarHBondContact O-N 2.85Å; C233-T236 PolarHBondContact O-OG1 3.26Å; C233-D237 WeakPolarHBondContact O-CB 3.47Å; C233-D237 PolarHBondContact O-N 2.67Å; C233-D237 VanDerWaalsContact O-N 3.14Å; C233-L246 HydrophobicContact CB-CD1 4.01Å; C233-L249 HydrophobicContact CB-CD1 3.81Å |
| 234 | V | 89.5 | Confident | 85.6 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.6 | -51.4 | 173.3 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | L230 D231 K232 T236 D237 L246 V307 L627 | L230-V234 HydrophobicContact CD2-CG2 4.29Å; L230-V234 PolarHBondContact O-N 3.1Å; D231-V234 PolarHBondContact O-N 3.09Å; K232-V234 VanDerWaalsContact C-N 3.31Å; K232-V234 PolarHBondContact O-N 2.71Å; V234-T236 PolarHBondContact O-N 3.43Å; V234-T236 VanDerWaalsContact O-N 3.14Å; V234-D237 PolarHBondContact O-N 3.28Å; V234-L246 HydrophobicContact CG2-CD1 3.71Å; V234-L246 HydrophobicContact CG2-CD2 4.17Å; V234-V307 HydrophobicContact CB-CG2 4.47Å; V234-V307 HydrophobicContact CG1-CG2 4.45Å; V234-V307 HydrophobicContact CG2-CG2 4.33Å; V234-L627 VanDerWaalsContact CG1-O 3.25Å; V234-L627 WeakPolarHBondContact CG1-O 3.06Å; V234-L627 HydrophobicContact CG2-CB 4.05Å; V234-L627 HydrophobicContact CG2-CD1 4.31Å |
| 235 | Q | 85.8 | Confident | 85.5 | Confident | 107 Ų | 107 | 58.6 Ų | 58.6 | 50% | 0.5 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.2 | -27.1 | 178.4 | -68.4 | 179.2 | 35.6 | 0 | 0 | 114 | D231 K232 N304 | D231-Q235 WeakPolarHBondContact O-CG 3.37Å; D231-Q235 PolarHBondContact O-N 3.37Å; D231-Q235 PolarHBondContact OD2-NE2 3.04Å; K232-Q235 PolarHBondContact O-N 2.95Å; Q235-N304 VanDerWaalsContact CG-ND2 3.27Å; Q235-N304 WeakPolarHBondContact CG-ND2 3.08Å; Q235-N304 PolarHBondContact NE2-ND2 3.49Å |
| 236 | T | 83.5 | Confident | 85.5 | Confident | 104 Ų | 104 | 57.1 Ų | 57.1 | 64% | 0.638 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -94.9 | -11.4 | -178.6 | 56.1 | 0 | 0 | 0 | 0 | 114.9 | K232 C233 V234 | K232-T236 WeakPolarHBondContact O-CG2 3.31Å; K232-T236 PolarHBondContact O-N 2.94Å; K232-T236 PolarHBondContact O-OG1 2.88Å; K232-T236 VanDerWaalsContact O-OG1 3.06Å; C233-T236 PolarHBondContact O-N 2.85Å; C233-T236 PolarHBondContact O-OG1 3.26Å; V234-T236 PolarHBondContact O-N 3.43Å; V234-T236 VanDerWaalsContact O-N 3.14Å |
| 237 | D | 78.5 | Confident | 85.5 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.011 | 30% | 0.299 | C | S | . | . | trans | -113.8 | 33.4 | -167.8 | -156.9 | 42.4 | 0 | 0 | 0 | 114.8 | C233 V234 E239 H240 K241 N242 R243 L628 | C233-D237 WeakPolarHBondContact O-CB 3.47Å; C233-D237 PolarHBondContact O-N 2.67Å; C233-D237 VanDerWaalsContact O-N 3.14Å; V234-D237 PolarHBondContact O-N 3.28Å; D237-E239 PolarHBondContact O-N 3.39Å; D237-E239 VanDerWaalsContact O-N 3.11Å; D237-H240 WeakPolarHBondContact O-CA 3.21Å; D237-H240 PolarHBondContact O-N 2.87Å; D237-K241 WeakPolarHBondContact OD1-CA 3.11Å; D237-K241 PolarHBondContact OD1-N 3.48Å; D237-K241 PolarHBondContact OD2-N 2.99Å; D237-N242 HydrophobicContact CB-CB 4.33Å; D237-N242 PolarHBondContact OD1-N 2.84Å; D237-N242 PolarHBondContact OD1-ND2 3.26Å; D237-N242 WeakPolarHBondContact OD2-CA 3.25Å; D237-N242 PolarHBondContact OD2-N 2.88Å; D237-R243 PolarHBondContact OD2-N 3.47Å; D237-L628 HydrophobicContact CB-CD2 4.15Å | ||
| 238 | E | 67.9 | Low | 85.4 | Confident | 118 Ų | 118 | 64.4 Ų | 64.4 | 55% | 0.551 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.6 | -41.2 | 170.4 | -68.3 | -70 | 132.4 | 0 | 0 | 112.7 | H240 P629 | E238-H240 VanDerWaalsContact C-N 3.26Å; E238-H240 PolarHBondContact O-N 3.44Å; E238-H240 PolarHBondContact O-ND1 2.86Å; E238-P629 WeakPolarHBondContact OE1-CG 3.49Å |
| 239 | E | 67 | Low | 85.5 | Confident | 142 Ų | 142 | 64 Ų | 64 | 66% | 0.664 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 4.5 | 179.7 | -64.2 | -177.1 | 100.5 | 0 | 0 | 114.6 | D237 K241 | D237-E239 PolarHBondContact O-N 3.39Å; D237-E239 VanDerWaalsContact O-N 3.11Å; E239-K241 VanDerWaalsContact C-N 3.29Å; E239-K241 HydrophobicContact CB-CD 3.99Å; E239-K241 HydrophobicContact CB-CG 4.06Å; E239-K241 PolarHBondContact O-N 3.44Å; E239-K241 IonicContact OE1-NZ 3.64Å; E239-K241 PolarHBondContact OE1-NZ 3.36Å; E239-K241 WeakPolarHBondContact OE2-CE 3.46Å; E239-K241 IonicContact OE2-NZ 3.9Å; E239-K241 PolarHBondContact OE2-NZ 3.48Å |
| 240 | H | 78.5 | Confident | 85.7 | Confident | 25 Ų | 25 | 60 Ų | 60 | 12% | 0.116 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 58.1 | 33.4 | 177.3 | -60.6 | 40.9 | 0 | 0 | 0 | 114.2 | D237 E238 R243 L628 T636 | D237-H240 WeakPolarHBondContact O-CA 3.21Å; D237-H240 PolarHBondContact O-N 2.87Å; E238-H240 VanDerWaalsContact C-N 3.26Å; E238-H240 PolarHBondContact O-N 3.44Å; E238-H240 PolarHBondContact O-ND1 2.86Å; H240-R243 HydrophobicContact CB-CG 4.26Å; H240-L628 HydrophobicContact CB-CD1 4.05Å; H240-T636 HydrophobicContact CB-CG2 4.29Å |
| 241 | K | 76.6 | Confident | 85.8 | Confident | 139 Ų | 139 | 62.3 Ų | 62.3 | 60% | 0.604 | 33% | 0.326 | S | S | * | . | trans | -87.6 | -28.9 | -175.3 | -71.6 | 174.4 | 179.3 | 165.4 | 0 | 113 | D237 E239 | D237-K241 WeakPolarHBondContact OD1-CA 3.11Å; D237-K241 PolarHBondContact OD1-N 3.48Å; D237-K241 PolarHBondContact OD2-N 2.99Å; E239-K241 VanDerWaalsContact C-N 3.29Å; E239-K241 HydrophobicContact CB-CD 3.99Å; E239-K241 HydrophobicContact CB-CG 4.06Å; E239-K241 PolarHBondContact O-N 3.44Å; E239-K241 IonicContact OE1-NZ 3.64Å; E239-K241 PolarHBondContact OE1-NZ 3.36Å; E239-K241 WeakPolarHBondContact OE2-CE 3.46Å; E239-K241 IonicContact OE2-NZ 3.9Å; E239-K241 PolarHBondContact OE2-NZ 3.48Å | ||
| 242 | N | 78.9 | Confident | 85.8 | Confident | 79 Ų | 79 | 64 Ų | 64 | 42% | 0.422 | 33% | 0.333 | S | S | . | . | trans | -104.3 | 16.9 | -174.7 | -56.6 | -74.8 | 0 | 0 | 0 | 112.9 | D237 G244 K245 L246 | D237-N242 HydrophobicContact CB-CB 4.33Å; D237-N242 PolarHBondContact OD1-N 2.84Å; D237-N242 PolarHBondContact OD1-ND2 3.26Å; D237-N242 WeakPolarHBondContact OD2-CA 3.25Å; D237-N242 PolarHBondContact OD2-N 2.88Å; N242-G244 PolarHBondContact O-N 3.27Å; N242-K245 PolarHBondContact O-N 2.92Å; N242-L246 PolarHBondContact O-N 3.39Å | ||
| 243 | R | 82.8 | Confident | 86 | Confident | 76 Ų | 76 | 58.2 Ų | 58.2 | 29% | 0.287 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -43.3 | -37.5 | 178.7 | -76.4 | -172.1 | 68.4 | -166.7 | -0.7 | 114.4 | D237 H240 S247 L628 T636 G637 | D237-R243 PolarHBondContact OD2-N 3.47Å; H240-R243 HydrophobicContact CB-CG 4.26Å; R243-S247 WeakPolarHBondContact O-CB 3.28Å; R243-S247 PolarHBondContact O-N 3.32Å; R243-L628 HydrophobicContact CG-CD1 4.05Å; R243-T636 PolarHBondContact NH1-O 3.39Å; R243-G637 PolarHBondContact NH1-O 3.23Å |
| 244 | G | 87.4 | Confident | 86.3 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 50% | 0.495 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59 | -59.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N242 L246 S247 D248 | N242-G244 PolarHBondContact O-N 3.27Å; G244-L246 VanDerWaalsContact C-N 3.28Å; G244-L246 PolarHBondContact O-N 3.11Å; G244-S247 WeakPolarHBondContact O-CA 3.49Å; G244-S247 VanDerWaalsContact O-CB 3.26Å; G244-S247 WeakPolarHBondContact O-CB 3.49Å; G244-S247 PolarHBondContact O-N 2.91Å; G244-D248 VanDerWaalsContact O-CG 3.3Å; G244-D248 PolarHBondContact O-N 3.4Å |
| 245 | K | 90.5 | Very high | 86.6 | Confident | 95 Ų | 95 | 61.5 Ų | 61.5 | 41% | 0.413 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.9 | -40.7 | 177.6 | -166.3 | -165 | 176.9 | -165.1 | 0 | 112.1 | E229 N242 S247 D248 L249 | E229-K245 WeakPolarHBondContact OE1-CE 3.48Å; E229-K245 IonicContact OE1-NZ 2.76Å; E229-K245 PolarHBondContact OE1-NZ 2.8Å; N242-K245 PolarHBondContact O-N 2.92Å; K245-S247 VanDerWaalsContact C-N 3.3Å; K245-S247 PolarHBondContact O-N 3.18Å; K245-D248 PolarHBondContact O-N 2.73Å; K245-L249 HydrophobicContact CD-CD1 4.42Å; K245-L249 HydrophobicContact CG-CD1 4.29Å; K245-L249 HydrophobicContact CG-CG 4.45Å; K245-L249 VanDerWaalsContact O-CG 3.28Å; K245-L249 WeakPolarHBondContact O-CG 3.44Å; K245-L249 PolarHBondContact O-N 2.94Å |
| 246 | L | 91.9 | Very high | 87 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 177.4 | -171.8 | 65.4 | 0 | 0 | 0 | 111.7 | L230 C233 V234 N242 G244 V250 A624 L627 L628 | L230-L246 HydrophobicContact CD2-CD1 4.48Å; L230-L246 HydrophobicContact CG-CD1 4.28Å; C233-L246 HydrophobicContact CB-CD1 4.01Å; V234-L246 HydrophobicContact CG2-CD1 3.71Å; V234-L246 HydrophobicContact CG2-CD2 4.17Å; N242-L246 PolarHBondContact O-N 3.39Å; G244-L246 VanDerWaalsContact C-N 3.28Å; G244-L246 PolarHBondContact O-N 3.11Å; L246-V250 WeakPolarHBondContact O-CB 3.47Å; L246-V250 WeakPolarHBondContact O-CG2 3.26Å; L246-V250 PolarHBondContact O-N 3.37Å; L246-A624 WeakPolarHBondContact CD2-O 3.49Å; L246-A624 HydrophobicContact CG-CB 4.2Å; L246-L627 HydrophobicContact CD2-CB 4.42Å; L246-L628 HydrophobicContact CD2-CD1 4.48Å; L246-L628 HydrophobicContact CD2-CD2 3.78Å; L246-L628 HydrophobicContact CD2-CG 4Å |
| 247 | S | 92.4 | Very high | 87.6 | Confident | 60 Ų | 60 | 51.7 Ų | 51.7 | 42% | 0.42 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 172.3 | -162.9 | 0 | 0 | 0 | 0 | 112.4 | R243 G244 K245 V250 A251 | R243-S247 WeakPolarHBondContact O-CB 3.28Å; R243-S247 PolarHBondContact O-N 3.32Å; G244-S247 WeakPolarHBondContact O-CA 3.49Å; G244-S247 VanDerWaalsContact O-CB 3.26Å; G244-S247 WeakPolarHBondContact O-CB 3.49Å; G244-S247 PolarHBondContact O-N 2.91Å; K245-S247 VanDerWaalsContact C-N 3.3Å; K245-S247 PolarHBondContact O-N 3.18Å; S247-V250 PolarHBondContact O-N 3.2Å; S247-A251 WeakPolarHBondContact O-CB 3.41Å; S247-A251 PolarHBondContact O-N 3.06Å |
| 248 | D | 93.2 | Very high | 88.5 | Confident | 110 Ų | 110 | 55.8 Ų | 55.8 | 59% | 0.588 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.2 | -43.5 | 177.3 | -55.9 | -38 | 0 | 0 | 0 | 111.3 | G244 K245 A251 E252 | G244-D248 VanDerWaalsContact O-CG 3.3Å; G244-D248 PolarHBondContact O-N 3.4Å; K245-D248 PolarHBondContact O-N 2.73Å; D248-A251 PolarHBondContact O-N 3.24Å; D248-E252 PolarHBondContact O-N 3.45Å |
| 249 | L | 93.8 | Very high | 89.8 | Confident | 14 Ų | 14 | 50.5 Ų | 50.5 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.4 | -37.3 | 176.3 | -66.6 | 171 | 0 | 0 | 0 | 112.3 | H226 E229 L230 C233 K245 H253 | H226-L249 PolarHBondContact CE1-O 3.16Å; H226-L249 WeakPolarHBondContact NE2-CD2 3.39Å; E229-L249 HydrophobicContact CG-CD1 4.35Å; E229-L249 HydrophobicContact CG-CD2 4.37Å; L230-L249 HydrophobicContact CB-CB 4.4Å; L230-L249 HydrophobicContact CD1-CB 4.44Å; L230-L249 HydrophobicContact CG-CB 4.38Å; C233-L249 HydrophobicContact CB-CD1 3.81Å; K245-L249 HydrophobicContact CD-CD1 4.42Å; K245-L249 HydrophobicContact CG-CD1 4.29Å; K245-L249 HydrophobicContact CG-CG 4.45Å; K245-L249 VanDerWaalsContact O-CG 3.28Å; K245-L249 WeakPolarHBondContact O-CG 3.44Å; K245-L249 PolarHBondContact O-N 2.94Å; L249-H253 PolarHBondContact O-N 2.96Å; L249-H253 VanDerWaalsContact O-N 3.1Å |
| 250 | V | 95.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.2 | -45 | 173.1 | 162.6 | 0 | 0 | 0 | 0 | 110.9 | L230 L246 S247 H253 L254 Y310 A624 L627 | L230-V250 HydrophobicContact CD1-CG2 4Å; L246-V250 WeakPolarHBondContact O-CB 3.47Å; L246-V250 WeakPolarHBondContact O-CG2 3.26Å; L246-V250 PolarHBondContact O-N 3.37Å; S247-V250 PolarHBondContact O-N 3.2Å; V250-H253 PolarHBondContact O-N 3.07Å; V250-L254 HydrophobicContact CG1-CD1 4.07Å; V250-L254 WeakPolarHBondContact O-CG 3.23Å; V250-L254 PolarHBondContact O-N 3.04Å; V250-Y310 WeakPolarHBondContact CG1-OH 3.36Å; V250-Y310 HydrophobicContact CG2-CE1 4.22Å; V250-A624 HydrophobicContact CB-CB 4Å; V250-A624 HydrophobicContact CG1-CB 4.39Å; V250-A624 HydrophobicContact CG2-CB 3.72Å; V250-L627 HydrophobicContact CG2-CD1 3.97Å |
| 251 | A | 94.7 | Very high | 92.1 | Very high | 51 Ų | 51 | 43.2 Ų | 43.2 | 42% | 0.421 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.5 | -47.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S247 D248 H253 L254 D255 | S247-A251 WeakPolarHBondContact O-CB 3.41Å; S247-A251 PolarHBondContact O-N 3.06Å; D248-A251 PolarHBondContact O-N 3.24Å; A251-H253 VanDerWaalsContact C-N 3.3Å; A251-H253 PolarHBondContact O-N 3.25Å; A251-L254 PolarHBondContact O-N 3.24Å; A251-D255 WeakPolarHBondContact O-CB 3.43Å; A251-D255 PolarHBondContact O-N 3.44Å |
| 252 | E | 93.6 | Very high | 93 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 19% | 0.187 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.2 | -31.2 | 176.2 | 174.7 | 150.3 | -151.5 | 0 | 0 | 112.5 | R185 D248 D255 H256 | R185-E252 IonicContact CZ-OE1 3.59Å; R185-E252 IonicContact CZ-OE2 2.88Å; R185-E252 IonicContact NE-OE1 3.79Å; R185-E252 PolarHBondContact NE-OE1 3.13Å; R185-E252 IonicContact NH2-OE1 2.76Å; R185-E252 PolarHBondContact NH2-OE1 3.18Å; R185-E252 IonicContact NH2-OE2 2.61Å; R185-E252 PolarHBondContact NH2-OE2 3.2Å; D248-E252 PolarHBondContact O-N 3.45Å; E252-D255 VanDerWaalsContact O-CB 3.28Å; E252-D255 WeakPolarHBondContact O-CB 3.38Å; E252-D255 PolarHBondContact O-N 3.15Å; E252-H256 WeakPolarHBondContact CG-CE1 3.35Å; E252-H256 PolarHBondContact O-CE1 3.29Å; E252-H256 VanDerWaalsContact O-CG 3.23Å; E252-H256 PolarHBondContact O-N 3.37Å; E252-H256 VanDerWaalsContact O-N 3.11Å; E252-H256 PolarHBondContact O-ND1 3Å; E252-H256 VanDerWaalsContact O-ND1 3.08Å; E252-H256 IonicContact OE1-CE1 3.41Å; E252-H256 PolarHBondContact OE1-CE1 3.21Å; E252-H256 VanDerWaalsContact OE1-CE1 3.26Å; E252-H256 IonicContact OE1-NE2 3.45Å |
| 253 | H | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.1 | -42.9 | 172.9 | -168.7 | 71.8 | 0 | 0 | 0 | 112.8 | L249 V250 A251 D255 H256 L257 Y288 L311 | L249-H253 PolarHBondContact O-N 2.96Å; L249-H253 VanDerWaalsContact O-N 3.1Å; V250-H253 PolarHBondContact O-N 3.07Å; A251-H253 VanDerWaalsContact C-N 3.3Å; A251-H253 PolarHBondContact O-N 3.25Å; H253-D255 VanDerWaalsContact C-N 3.31Å; H253-D255 PolarHBondContact O-N 3.08Å; H253-H256 WeakPolarHBondContact O-CB 3.27Å; H253-H256 PolarHBondContact O-N 3.32Å; H253-H256 VanDerWaalsContact O-N 3.09Å; H253-L257 PolarHBondContact O-N 2.91Å; H253-Y288 PolarHBondContact CE1-OH 3.04Å; H253-Y288 VanDerWaalsContact CE1-OH 3.28Å; H253-L311 VanDerWaalsContact CD2-CD2 3.45Å; H253-L311 WeakPolarHBondContact CD2-CD2 3.15Å; H253-L311 WeakPolarHBondContact NE2-CD2 3.32Å |
| 254 | L | 95.6 | Very high | 94.3 | Very high | 17 Ų | 17 | 32.8 Ų | 32.8 | 9% | 0.089 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.3 | -44.6 | 174.2 | -69.1 | 168.1 | 0 | 0 | 0 | 110.9 | V250 A251 H256 L257 H258 Q314 I318 M622 | V250-L254 HydrophobicContact CG1-CD1 4.07Å; V250-L254 WeakPolarHBondContact O-CG 3.23Å; V250-L254 PolarHBondContact O-N 3.04Å; A251-L254 PolarHBondContact O-N 3.24Å; L254-H256 PolarHBondContact O-N 3.47Å; L254-L257 PolarHBondContact O-N 3.33Å; L254-H258 PolarHBondContact O-CD2 2.9Å; L254-H258 PolarHBondContact O-N 2.57Å; L254-Q314 HydrophobicContact CD2-CG 4.34Å; L254-I318 HydrophobicContact CD2-CD1 3.47Å; L254-I318 VanDerWaalsContact CD2-CD1 3.47Å; L254-M622 HydrophobicContact CD1-CB 4.45Å; L254-M622 HydrophobicContact CD1-CG 4.14Å |
| 255 | D | 95.1 | Very high | 94.6 | Very high | 62 Ų | 62 | 35.6 Ų | 35.6 | 33% | 0.332 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -53.8 | -34.9 | 173 | -119.5 | 42.8 | 0 | 0 | 0 | 113.4 | R189 A251 E252 H253 Y259 | R189-D255 IonicContact CZ-OD2 2.68Å; R189-D255 IonicContact NH1-OD2 3.6Å; R189-D255 PolarHBondContact NH1-OD2 3.22Å; R189-D255 IonicContact NH2-OD2 3.56Å; A251-D255 WeakPolarHBondContact O-CB 3.43Å; A251-D255 PolarHBondContact O-N 3.44Å; E252-D255 VanDerWaalsContact O-CB 3.28Å; E252-D255 WeakPolarHBondContact O-CB 3.38Å; E252-D255 PolarHBondContact O-N 3.15Å; H253-D255 VanDerWaalsContact C-N 3.31Å; H253-D255 PolarHBondContact O-N 3.08Å; D255-Y259 WeakPolarHBondContact O-CB 3.47Å; D255-Y259 PolarHBondContact O-N 2.75Å |
| 256 | H | 95.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.019 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -73.3 | -43.9 | 174.1 | -61.9 | -7 | 0 | 0 | 0 | 112.1 | R189 F222 I223 H226 E252 H253 L254 Y259 L260 | R189-H256 PolarHBondContact NH2-ND1 3.36Å; F222-H256 AromaticContact CE1-CE1 3.61Å; F222-H256 AromaticContact CE1-NE2 3.38Å; F222-H256 WeakPolarHBondContact CE1-NE2 3.24Å; F222-H256 AromaticContact CZ-NE2 3.96Å; I223-H256 HydrophobicContact CD1-CB 4.11Å; I223-H256 HydrophobicContact CG1-CB 4.07Å; H226-H256 AromaticContact ND1-NE2 3.85Å; E252-H256 WeakPolarHBondContact CG-CE1 3.35Å; E252-H256 PolarHBondContact O-CE1 3.29Å; E252-H256 VanDerWaalsContact O-CG 3.23Å; E252-H256 PolarHBondContact O-N 3.37Å; E252-H256 VanDerWaalsContact O-N 3.11Å; E252-H256 PolarHBondContact O-ND1 3Å; E252-H256 VanDerWaalsContact O-ND1 3.08Å; E252-H256 IonicContact OE1-CE1 3.41Å; E252-H256 PolarHBondContact OE1-CE1 3.21Å; E252-H256 VanDerWaalsContact OE1-CE1 3.26Å; E252-H256 IonicContact OE1-NE2 3.45Å; H253-H256 WeakPolarHBondContact O-CB 3.27Å; H253-H256 PolarHBondContact O-N 3.32Å; H253-H256 VanDerWaalsContact O-N 3.09Å; L254-H256 PolarHBondContact O-N 3.47Å; H256-Y259 PolarHBondContact O-N 3.17Å; H256-L260 VanDerWaalsContact O-CG 3.29Å; H256-L260 WeakPolarHBondContact O-CG 3.34Å; H256-L260 PolarHBondContact O-N 2.73Å |
| 257 | L | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.7 | -40.9 | 179.6 | -67.3 | -179.8 | 0 | 0 | 0 | 111.9 | H253 L254 L260 N261 Q314 V315 I318 I319 | H253-L257 PolarHBondContact O-N 2.91Å; L254-L257 PolarHBondContact O-N 3.33Å; L257-L260 HydrophobicContact CD2-CD1 4.49Å; L257-L260 PolarHBondContact O-N 2.76Å; L257-N261 WeakPolarHBondContact O-CB 3.35Å; L257-N261 PolarHBondContact O-N 3.27Å; L257-Q314 HydrophobicContact CD1-CB 3.69Å; L257-V315 HydrophobicContact CD1-CG2 4.41Å; L257-V315 HydrophobicContact CD2-CG2 3.87Å; L257-I318 HydrophobicContact CB-CB 4.43Å; L257-I318 HydrophobicContact CB-CD1 4.09Å; L257-I318 HydrophobicContact CB-CG2 3.98Å; L257-I318 HydrophobicContact CD1-CD1 3.96Å; L257-I319 HydrophobicContact CD2-CD1 4.43Å |
| 258 | H | 96.2 | Very high | 94.3 | Very high | 89 Ų | 89 | 35.8 Ų | 35.8 | 41% | 0.412 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.2 | -47.3 | 173.7 | -72.9 | -64.5 | 0 | 0 | 0 | 111.5 | L254 L260 N261 D262 | L254-H258 PolarHBondContact O-CD2 2.9Å; L254-H258 PolarHBondContact O-N 2.57Å; H258-L260 VanDerWaalsContact C-N 3.32Å; H258-L260 PolarHBondContact O-N 3.49Å; H258-N261 WeakPolarHBondContact O-CB 3.2Å; H258-N261 PolarHBondContact O-N 3.26Å; H258-N261 VanDerWaalsContact O-N 3.12Å; H258-D262 VanDerWaalsContact O-CG 3.29Å; H258-D262 PolarHBondContact O-N 3.41Å |
| 259 | Y | 96.9 | Very high | 94 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.6 | -37.5 | 175.9 | 173.2 | -122.3 | 0 | 0 | 0 | 113.5 | R189 T192 L193 Y215 L219 D255 H256 D262 I263 | R189-Y259 HydrophobicContact CB-CD2 3.64Å; R189-Y259 HydrophobicContact CB-CE2 3.58Å; R189-Y259 HydrophobicContact CB-CG 4.27Å; R189-Y259 HydrophobicContact CG-CD1 3.87Å; R189-Y259 HydrophobicContact CG-CD2 3.57Å; R189-Y259 HydrophobicContact CG-CE1 3.92Å; R189-Y259 HydrophobicContact CG-CE2 3.63Å; R189-Y259 HydrophobicContact CG-CG 3.69Å; T192-Y259 PolarHBondContact OG1-OH 3.27Å; L193-Y259 HydrophobicContact CD1-CD2 4.23Å; L193-Y259 HydrophobicContact CD1-CE2 4.38Å; L193-Y259 HydrophobicContact CD2-CD2 4.49Å; L193-Y259 HydrophobicContact CD2-CE2 4.26Å; L193-Y259 HydrophobicContact CG-CD2 4.35Å; L193-Y259 HydrophobicContact CG-CE2 4.04Å; Y215-Y259 PolarHBondContact OH-OH 3.21Å; L219-Y259 HydrophobicContact CD1-CE1 4.43Å; L219-Y259 HydrophobicContact CD2-CD1 4.48Å; L219-Y259 HydrophobicContact CD2-CE1 3.91Å; D255-Y259 WeakPolarHBondContact O-CB 3.47Å; D255-Y259 PolarHBondContact O-N 2.75Å; H256-Y259 PolarHBondContact O-N 3.17Å; Y259-D262 PolarHBondContact O-N 3.06Å; Y259-I263 HydrophobicContact CD1-CD1 4.45Å; Y259-I263 HydrophobicContact CD2-CD1 4.49Å; Y259-I263 HydrophobicContact CE1-CD1 3.95Å; Y259-I263 HydrophobicContact CE2-CD1 3.98Å; Y259-I263 HydrophobicContact CE2-CG1 4.1Å; Y259-I263 WeakPolarHBondContact O-CG1 3.33Å; Y259-I263 PolarHBondContact O-N 3.48Å |
| 260 | L | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 173.8 | -72.4 | 172 | 0 | 0 | 0 | 111.6 | L219 I223 H256 L257 H258 I263 L264 L275 L279 | L219-L260 HydrophobicContact CD2-CD2 4.16Å; I223-L260 HydrophobicContact CD1-CD1 3.82Å; I223-L260 HydrophobicContact CD1-CD2 4.47Å; I223-L260 HydrophobicContact CD1-CG 4.31Å; H256-L260 VanDerWaalsContact O-CG 3.29Å; H256-L260 WeakPolarHBondContact O-CG 3.34Å; H256-L260 PolarHBondContact O-N 2.73Å; L257-L260 HydrophobicContact CD2-CD1 4.49Å; L257-L260 PolarHBondContact O-N 2.76Å; H258-L260 VanDerWaalsContact C-N 3.32Å; H258-L260 PolarHBondContact O-N 3.49Å; L260-I263 PolarHBondContact O-N 3.2Å; L260-L264 VanDerWaalsContact O-CG 3.3Å; L260-L264 WeakPolarHBondContact O-CG 3.46Å; L260-L264 PolarHBondContact O-N 3.14Å; L260-L275 HydrophobicContact CD2-CD1 3.91Å; L260-L275 HydrophobicContact CD2-CD2 4.23Å; L260-L279 HydrophobicContact CD1-CD1 4.43Å; L260-L279 HydrophobicContact CD1-CD2 3.7Å; L260-L279 HydrophobicContact CD2-CD1 4.37Å; L260-L279 HydrophobicContact CD2-CD2 4.2Å |
| 261 | N | 95.7 | Very high | 93.5 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.2 | -40.1 | 176.2 | -170.1 | 55.1 | 0 | 0 | 0 | 111.7 | L257 H258 I263 L264 I265 I318 I319 H320 | L257-N261 WeakPolarHBondContact O-CB 3.35Å; L257-N261 PolarHBondContact O-N 3.27Å; H258-N261 WeakPolarHBondContact O-CB 3.2Å; H258-N261 PolarHBondContact O-N 3.26Å; H258-N261 VanDerWaalsContact O-N 3.12Å; N261-I263 VanDerWaalsContact C-N 3.34Å; N261-I263 PolarHBondContact O-N 3.03Å; N261-L264 PolarHBondContact O-N 3.3Å; N261-L264 VanDerWaalsContact O-N 3.13Å; N261-I265 VanDerWaalsContact ND2-CD1 3.25Å; N261-I265 WeakPolarHBondContact ND2-CD1 3.46Å; N261-I265 WeakPolarHBondContact O-CB 3.42Å; N261-I265 WeakPolarHBondContact O-CG1 3.45Å; N261-I265 PolarHBondContact O-N 3.32Å; N261-I318 HydrophobicContact CB-CG2 4.46Å; N261-I318 PolarHBondContact ND2-O 3.45Å; N261-I318 PolarHBondContact OD1-O 3.34Å; N261-I319 HydrophobicContact CB-CG1 4.46Å; N261-I319 WeakPolarHBondContact OD1-CA 3.42Å; N261-H320 PolarHBondContact OD1-N 3.32Å; N261-H320 VanDerWaalsContact OD1-N 3.08Å |
| 262 | D | 96.4 | Very high | 93.4 | Very high | 74 Ų | 74 | 35.7 Ų | 35.7 | 40% | 0.396 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.6 | -40.8 | 175.7 | -70 | -23.3 | 0 | 0 | 0 | 112.4 | L193 H258 Y259 I266 | L193-D262 HydrophobicContact CD1-CB 3.91Å; L193-D262 HydrophobicContact CD2-CB 3.74Å; H258-D262 VanDerWaalsContact O-CG 3.29Å; H258-D262 PolarHBondContact O-N 3.41Å; Y259-D262 PolarHBondContact O-N 3.06Å; D262-I266 WeakPolarHBondContact O-CG1 3.37Å; D262-I266 PolarHBondContact O-N 3.42Å |
| 263 | I | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -46.8 | 174 | -63.4 | 165.7 | 0 | 0 | 0 | 110 | L193 Y196 F216 Y259 L260 N261 I265 I266 L271 L275 | L193-I263 HydrophobicContact CD2-CG1 3.84Å; Y196-I263 HydrophobicContact CD2-CG1 4.35Å; Y196-I263 HydrophobicContact CD2-CG2 4.27Å; Y196-I263 HydrophobicContact CE2-CD1 4.42Å; Y196-I263 HydrophobicContact CE2-CG1 4.27Å; Y196-I263 HydrophobicContact CE2-CG2 4.4Å; F216-I263 HydrophobicContact CE1-CD1 4.12Å; F216-I263 HydrophobicContact CZ-CG2 4.44Å; Y259-I263 HydrophobicContact CD1-CD1 4.45Å; Y259-I263 HydrophobicContact CD2-CD1 4.49Å; Y259-I263 HydrophobicContact CE1-CD1 3.95Å; Y259-I263 HydrophobicContact CE2-CD1 3.98Å; Y259-I263 HydrophobicContact CE2-CG1 4.1Å; Y259-I263 WeakPolarHBondContact O-CG1 3.33Å; Y259-I263 PolarHBondContact O-N 3.48Å; L260-I263 PolarHBondContact O-N 3.2Å; N261-I263 VanDerWaalsContact C-N 3.34Å; N261-I263 PolarHBondContact O-N 3.03Å; I263-I265 VanDerWaalsContact C-N 3.33Å; I263-I265 PolarHBondContact O-N 3.34Å; I263-I266 WeakPolarHBondContact O-CB 3.14Å; I263-I266 PolarHBondContact O-N 3.45Å; I263-L271 HydrophobicContact CG2-CD2 3.88Å; I263-L275 HydrophobicContact CB-CD2 4.08Å; I263-L275 HydrophobicContact CD1-CD2 4.29Å; I263-L275 HydrophobicContact CG2-CD2 3.78Å |
| 264 | L | 94.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67 | -35 | -176.5 | -64.7 | 166.2 | 0 | 0 | 0 | 112.2 | L260 N261 I266 N267 N272 L275 I319 Y321 L324 | L260-L264 VanDerWaalsContact O-CG 3.3Å; L260-L264 WeakPolarHBondContact O-CG 3.46Å; L260-L264 PolarHBondContact O-N 3.14Å; N261-L264 PolarHBondContact O-N 3.3Å; N261-L264 VanDerWaalsContact O-N 3.13Å; L264-I266 VanDerWaalsContact C-N 3.3Å; L264-I266 PolarHBondContact O-N 2.9Å; L264-N267 WeakPolarHBondContact O-CA 3.38Å; L264-N267 PolarHBondContact O-N 3.48Å; L264-N272 HydrophobicContact CD2-CB 3.95Å; L264-N272 PolarHBondContact O-ND2 3.39Å; L264-L275 HydrophobicContact CD2-CD2 3.91Å; L264-L275 HydrophobicContact CD2-CG 4.37Å; L264-L275 HydrophobicContact CG-CD2 4.05Å; L264-I319 HydrophobicContact CD1-CG2 3.93Å; L264-Y321 HydrophobicContact CB-CD2 4.47Å; L264-Y321 HydrophobicContact CB-CG 4.05Å; L264-Y321 HydrophobicContact CD1-CD1 4.45Å; L264-Y321 HydrophobicContact CD1-CG 4.47Å; L264-Y321 HydrophobicContact CD2-CD1 3.81Å; L264-Y321 HydrophobicContact CD2-CE1 4.24Å; L264-Y321 HydrophobicContact CD2-CG 4.16Å; L264-Y321 HydrophobicContact CG-CD1 4.5Å; L264-Y321 HydrophobicContact CG-CG 4.45Å; L264-L324 HydrophobicContact CD1-CD2 3.67Å |
| 265 | I | 93.4 | Very high | 93.2 | Very high | 107 Ų | 107 | 39.2 Ų | 39.2 | 55% | 0.549 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.1 | -22 | 177.5 | -76 | 175.2 | 0 | 0 | 0 | 113.1 | N261 I263 N267 | N261-I265 VanDerWaalsContact ND2-CD1 3.25Å; N261-I265 WeakPolarHBondContact ND2-CD1 3.46Å; N261-I265 WeakPolarHBondContact O-CB 3.42Å; N261-I265 WeakPolarHBondContact O-CG1 3.45Å; N261-I265 PolarHBondContact O-N 3.32Å; I263-I265 VanDerWaalsContact C-N 3.33Å; I263-I265 PolarHBondContact O-N 3.34Å; I265-N267 PolarHBondContact O-N 2.79Å; I265-N267 VanDerWaalsContact O-N 3.1Å |
| 266 | I | 91.2 | Very high | 93.1 | Very high | 41 Ų | 41 | 37.2 Ų | 37.2 | 21% | 0.21 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -13.5 | 168.2 | -65.2 | 165.1 | 0 | 0 | 0 | 111.1 | L193 Y196 K197 D262 I263 L264 C268 | L193-I266 HydrophobicContact CB-CD1 4.41Å; L193-I266 HydrophobicContact CD2-CD1 3.67Å; Y196-I266 WeakPolarHBondContact O-CG2 3.06Å; K197-I266 HydrophobicContact CG-CD1 3.89Å; K197-I266 HydrophobicContact CG-CG1 3.98Å; K197-I266 HydrophobicContact CG-CG2 4.33Å; D262-I266 WeakPolarHBondContact O-CG1 3.37Å; D262-I266 PolarHBondContact O-N 3.42Å; I263-I266 WeakPolarHBondContact O-CB 3.14Å; I263-I266 PolarHBondContact O-N 3.45Å; L264-I266 VanDerWaalsContact C-N 3.3Å; L264-I266 PolarHBondContact O-N 2.9Å; I266-C268 HydrophobicContact CG2-CB 4.28Å; I266-C268 PolarHBondContact O-N 3.32Å |
| 267 | N | 86.1 | Confident | 92.9 | Very high | 104 Ų | 104 | 40.2 Ų | 40.2 | 56% | 0.556 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 37.3 | 174.6 | -160.9 | 48.4 | 0 | 0 | 0 | 113.7 | L264 I265 E269 | L264-N267 WeakPolarHBondContact O-CA 3.38Å; L264-N267 PolarHBondContact O-N 3.48Å; I265-N267 PolarHBondContact O-N 2.79Å; I265-N267 VanDerWaalsContact O-N 3.1Å; N267-E269 PolarHBondContact O-N 3.18Å |
| 268 | C | 89.4 | Confident | 92.8 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 10% | 0.095 | 21% | 0.207 | C | C | . | . | trans | -86.4 | 84.3 | -178.7 | -161.5 | 0 | 0 | 0 | 0 | 108.9 | I266 F270 L271 N272 | I266-C268 HydrophobicContact CG2-CB 4.28Å; I266-C268 PolarHBondContact O-N 3.32Å; C268-F270 PolarHBondContact O-N 3.08Å; C268-F270 WeakPolarHBondContact SG-CE1 3.48Å; C268-F270 WeakPolarHBondContact SG-CZ 3.29Å; C268-L271 HydrophobicContact CB-CB 4.03Å; C268-L271 HydrophobicContact CB-CD2 4.44Å; C268-L271 WeakPolarHBondContact O-CA 3.49Å; C268-L271 VanDerWaalsContact O-CB 3.3Å; C268-L271 WeakPolarHBondContact O-CB 3.18Å; C268-L271 PolarHBondContact O-N 2.96Å; C268-N272 PolarHBondContact O-N 2.86Å | ||
| 269 | E | 87.3 | Confident | 92.7 | Very high | 143 Ų | 143 | 36.1 Ų | 36.1 | 67% | 0.668 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -37.8 | -62.8 | -166.1 | -63 | -176.9 | 156.6 | 0 | 0 | 114.7 | N267 L271 N272 D273 | N267-E269 PolarHBondContact O-N 3.18Å; E269-L271 PolarHBondContact O-N 3.01Å; E269-L271 VanDerWaalsContact O-N 3.13Å; E269-N272 CarbonylContact O-C 3.57Å; E269-N272 WeakPolarHBondContact O-CA 3.45Å; E269-N272 WeakPolarHBondContact O-CB 3.33Å; E269-N272 PolarHBondContact O-N 3.4Å; E269-D273 PolarHBondContact O-N 3.4Å |
| 270 | F | 87 | Confident | 92.4 | Very high | 31 Ų | 31 | 36.8 Ų | 36.8 | 14% | 0.136 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65 | -19.3 | -177 | 67.8 | -92.7 | 0 | 0 | 0 | 114.2 | L204 R208 C268 V274 | L204-F270 HydrophobicContact CB-CE1 4.09Å; L204-F270 HydrophobicContact CB-CE2 4.32Å; L204-F270 HydrophobicContact CB-CZ 3.53Å; L204-F270 HydrophobicContact CD1-CE1 4.35Å; L204-F270 HydrophobicContact CD1-CZ 4.22Å; L204-F270 HydrophobicContact CD2-CZ 4.05Å; L204-F270 HydrophobicContact CG-CZ 4.11Å; R208-F270 HydrophobicContact CB-CD2 3.72Å; R208-F270 HydrophobicContact CB-CE2 4.05Å; R208-F270 HydrophobicContact CG-CD2 3.8Å; C268-F270 PolarHBondContact O-N 3.08Å; C268-F270 WeakPolarHBondContact SG-CE1 3.48Å; C268-F270 WeakPolarHBondContact SG-CZ 3.29Å; F270-V274 WeakPolarHBondContact O-CG2 3.38Å |
| 271 | L | 91.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -84.8 | -40.4 | 174.7 | -168.6 | 73 | 0 | 0 | 0 | 109.6 | Y196 I207 A212 F216 I263 C268 E269 D273 V274 L275 | Y196-L271 HydrophobicContact CD1-CD2 3.94Å; Y196-L271 HydrophobicContact CD2-CD2 3.73Å; Y196-L271 HydrophobicContact CE1-CD2 4.2Å; Y196-L271 HydrophobicContact CE2-CD2 3.99Å; Y196-L271 HydrophobicContact CG-CD2 3.72Å; I207-L271 HydrophobicContact CG2-CD1 4.22Å; A212-L271 HydrophobicContact CB-CD1 3.95Å; F216-L271 HydrophobicContact CE2-CD1 3.62Å; F216-L271 HydrophobicContact CE2-CG 3.96Å; F216-L271 HydrophobicContact CZ-CD1 3.72Å; F216-L271 HydrophobicContact CZ-CD2 4.36Å; F216-L271 HydrophobicContact CZ-CG 3.87Å; I263-L271 HydrophobicContact CG2-CD2 3.88Å; C268-L271 HydrophobicContact CB-CB 4.03Å; C268-L271 HydrophobicContact CB-CD2 4.44Å; C268-L271 WeakPolarHBondContact O-CA 3.49Å; C268-L271 VanDerWaalsContact O-CB 3.3Å; C268-L271 WeakPolarHBondContact O-CB 3.18Å; C268-L271 PolarHBondContact O-N 2.96Å; E269-L271 PolarHBondContact O-N 3.01Å; E269-L271 VanDerWaalsContact O-N 3.13Å; L271-D273 VanDerWaalsContact C-N 3.34Å; L271-V274 PolarHBondContact O-N 2.94Å; L271-L275 WeakPolarHBondContact O-CB 3.38Å; L271-L275 PolarHBondContact O-N 2.7Å |
| 272 | N | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.5 | -37.9 | 174.1 | -70.3 | 8.8 | 0 | 0 | 0 | 111.3 | L264 C268 E269 L275 T276 Y321 | L264-N272 HydrophobicContact CD2-CB 3.95Å; L264-N272 PolarHBondContact O-ND2 3.39Å; C268-N272 PolarHBondContact O-N 2.86Å; E269-N272 CarbonylContact O-C 3.57Å; E269-N272 WeakPolarHBondContact O-CA 3.45Å; E269-N272 WeakPolarHBondContact O-CB 3.33Å; E269-N272 PolarHBondContact O-N 3.4Å; N272-L275 PolarHBondContact O-N 3.3Å; N272-T276 WeakPolarHBondContact O-CB 3.34Å; N272-T276 PolarHBondContact O-N 3.19Å; N272-T276 PolarHBondContact O-OG1 2.73Å; N272-Y321 HydrophobicContact CB-CE1 3.95Å; N272-Y321 HydrophobicContact CB-CE2 4.34Å; N272-Y321 VanDerWaalsContact ND2-CE2 3.34Å; N272-Y321 WeakPolarHBondContact ND2-CE2 3.42Å |
| 273 | D | 91.6 | Very high | 91.5 | Very high | 105 Ų | 105 | 39.7 Ų | 39.7 | 56% | 0.561 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -56.8 | -55.4 | 172 | -73 | -29.5 | 0 | 0 | 0 | 111.6 | E269 L271 L275 T276 D277 | E269-D273 PolarHBondContact O-N 3.4Å; L271-D273 VanDerWaalsContact C-N 3.34Å; D273-L275 VanDerWaalsContact C-N 3.32Å; D273-L275 PolarHBondContact O-N 2.87Å; D273-T276 PolarHBondContact O-N 2.78Å; D273-D277 PolarHBondContact O-N 3.45Å |
| 274 | V | 92.5 | Very high | 91.4 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 16% | 0.158 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.5 | -37.8 | -177.3 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | R208 A212 V213 F216 F270 L271 H278 | R208-V274 HydrophobicContact CG-CG2 4.35Å; A212-V274 HydrophobicContact CB-CG1 4.46Å; V213-V274 HydrophobicContact CG2-CG1 3.81Å; F216-V274 HydrophobicContact CD2-CG1 4.1Å; F270-V274 WeakPolarHBondContact O-CG2 3.38Å; L271-V274 PolarHBondContact O-N 2.94Å; V274-H278 PolarHBondContact O-N 2.83Å; V274-H278 PolarHBondContact O-ND1 3.01Å |
| 275 | L | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.1 | -41.5 | 175.8 | -175.4 | 54.2 | 0 | 0 | 0 | 111.9 | F216 L260 I263 L264 L271 N272 D273 H278 L279 | F216-L275 HydrophobicContact CB-CD1 4.29Å; F216-L275 HydrophobicContact CD1-CD1 3.77Å; F216-L275 HydrophobicContact CD2-CB 4.04Å; F216-L275 HydrophobicContact CD2-CD1 4.12Å; F216-L275 HydrophobicContact CE1-CD1 4.04Å; F216-L275 HydrophobicContact CE1-CD2 4.43Å; F216-L275 HydrophobicContact CE2-CB 3.81Å; F216-L275 HydrophobicContact CE2-CD1 4.36Å; F216-L275 HydrophobicContact CG-CD1 3.83Å; F216-L275 HydrophobicContact CZ-CB 4.2Å; F216-L275 HydrophobicContact CZ-CD1 4.32Å; F216-L275 HydrophobicContact CZ-CD2 4.33Å; L260-L275 HydrophobicContact CD2-CD1 3.91Å; L260-L275 HydrophobicContact CD2-CD2 4.23Å; I263-L275 HydrophobicContact CB-CD2 4.08Å; I263-L275 HydrophobicContact CD1-CD2 4.29Å; I263-L275 HydrophobicContact CG2-CD2 3.78Å; L264-L275 HydrophobicContact CD2-CD2 3.91Å; L264-L275 HydrophobicContact CD2-CG 4.37Å; L264-L275 HydrophobicContact CG-CD2 4.05Å; L271-L275 WeakPolarHBondContact O-CB 3.38Å; L271-L275 PolarHBondContact O-N 2.7Å; N272-L275 PolarHBondContact O-N 3.3Å; D273-L275 VanDerWaalsContact C-N 3.32Å; D273-L275 PolarHBondContact O-N 2.87Å; L275-H278 PolarHBondContact O-N 3.3Å; L275-L279 HydrophobicContact CD1-CD1 4.06Å; L275-L279 HydrophobicContact CD1-CG 4.04Å; L275-L279 HydrophobicContact CG-CD1 3.87Å; L275-L279 HydrophobicContact CG-CG 4.32Å; L275-L279 WeakPolarHBondContact O-CB 3.41Å; L275-L279 VanDerWaalsContact O-CG 3.32Å; L275-L279 WeakPolarHBondContact O-CG 3.39Å; L275-L279 PolarHBondContact O-N 2.85Å |
| 276 | T | 93.6 | Very high | 90.9 | Very high | 19 Ų | 19 | 35.1 Ų | 35.1 | 12% | 0.117 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 178.4 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | N272 D273 H278 L279 L280 L324 | N272-T276 WeakPolarHBondContact O-CB 3.34Å; N272-T276 PolarHBondContact O-N 3.19Å; N272-T276 PolarHBondContact O-OG1 2.73Å; D273-T276 PolarHBondContact O-N 2.78Å; T276-H278 PolarHBondContact O-N 2.88Å; T276-L279 PolarHBondContact O-N 2.87Å; T276-L280 HydrophobicContact CG2-CD1 3.75Å; T276-L280 HydrophobicContact CG2-CG 4.39Å; T276-L280 WeakPolarHBondContact O-CB 3.49Å; T276-L280 WeakPolarHBondContact O-CG 3.44Å; T276-L280 PolarHBondContact O-N 3.01Å; T276-L324 HydrophobicContact CG2-CB 4.11Å; T276-L324 HydrophobicContact CG2-CD1 4.07Å |
| 277 | D | 91.6 | Very high | 90.8 | Very high | 67 Ų | 67 | 33.2 Ų | 33.2 | 36% | 0.358 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -56.1 | -49.9 | 171.1 | 169.4 | 62.2 | 0 | 0 | 0 | 111.5 | D273 L279 N281 | D273-D277 PolarHBondContact O-N 3.45Å; D277-L279 PolarHBondContact O-N 2.72Å; D277-N281 VanDerWaalsContact O-CB 3.29Å; D277-N281 WeakPolarHBondContact O-CB 3.46Å; D277-N281 PolarHBondContact O-N 2.69Å; D277-N281 PolarHBondContact OD1-ND2 3.49Å |
| 278 | H | 92.6 | Very high | 91 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.4 | -40.8 | -177.5 | -75.3 | 68.5 | 0 | 0 | 0 | 112 | F216 V220 V274 L275 T276 R282 | F216-H278 HydrophobicContact CB-CB 4.33Å; V220-H278 HydrophobicContact CG2-CB 4.21Å; V274-H278 PolarHBondContact O-N 2.83Å; V274-H278 PolarHBondContact O-ND1 3.01Å; L275-H278 PolarHBondContact O-N 3.3Å; T276-H278 PolarHBondContact O-N 2.88Å; H278-R282 PolarHBondContact CD2-NE 3.36Å; H278-R282 VanDerWaalsContact CD2-NE 3.34Å; H278-R282 PolarHBondContact NE2-NE 2.71Å; H278-R282 WeakPolarHBondContact O-CA 3.43Å; H278-R282 WeakPolarHBondContact O-CB 3.45Å; H278-R282 PolarHBondContact O-N 3.18Å; H278-R282 VanDerWaalsContact O-N 3.07Å |
| 279 | L | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.9 | -51.4 | 177.3 | -72.3 | 173.1 | 0 | 0 | 0 | 111.8 | V220 L260 L275 T276 D277 L283 F284 L324 | V220-L279 HydrophobicContact CG2-CD2 3.89Å; V220-L279 HydrophobicContact CG2-CG 4.46Å; L260-L279 HydrophobicContact CD1-CD1 4.43Å; L260-L279 HydrophobicContact CD1-CD2 3.7Å; L260-L279 HydrophobicContact CD2-CD1 4.37Å; L260-L279 HydrophobicContact CD2-CD2 4.2Å; L275-L279 HydrophobicContact CD1-CD1 4.06Å; L275-L279 HydrophobicContact CD1-CG 4.04Å; L275-L279 HydrophobicContact CG-CD1 3.87Å; L275-L279 HydrophobicContact CG-CG 4.32Å; L275-L279 WeakPolarHBondContact O-CB 3.41Å; L275-L279 VanDerWaalsContact O-CG 3.32Å; L275-L279 WeakPolarHBondContact O-CG 3.39Å; L275-L279 PolarHBondContact O-N 2.85Å; T276-L279 PolarHBondContact O-N 2.87Å; D277-L279 PolarHBondContact O-N 2.72Å; L279-L283 HydrophobicContact CD2-CD2 4.27Å; L279-L283 CarbonylContact O-C 3.48Å; L279-L283 PolarHBondContact O-N 3.47Å; L279-L283 VanDerWaalsContact O-N 3.13Å; L279-F284 HydrophobicContact CB-CD2 4.1Å; L279-F284 HydrophobicContact CB-CE2 3.92Å; L279-F284 HydrophobicContact CB-CZ 4.33Å; L279-F284 HydrophobicContact CD1-CE2 4.29Å; L279-F284 HydrophobicContact CD1-CZ 4.38Å; L279-F284 HydrophobicContact CD2-CE1 4.3Å; L279-F284 HydrophobicContact CD2-CE2 4.43Å; L279-F284 HydrophobicContact CD2-CZ 4Å; L279-F284 HydrophobicContact CG-CE2 4.45Å; L279-F284 HydrophobicContact CG-CZ 4.47Å; L279-F284 PolarHBondContact O-N 3.15Å; L279-L324 HydrophobicContact CB-CD1 4.25Å; L279-L324 HydrophobicContact CD1-CD2 3.71Å |
| 280 | L | 91.6 | Very high | 90.9 | Very high | 20 Ų | 20 | 23 Ų | 23 | 11% | 0.105 | 11% | 0.113 | C | C | . | . | I | π-helix | trans | -65.2 | -59.3 | 179.3 | -69.9 | 172.5 | 0 | 0 | 0 | 111.4 | T276 R282 L285 P286 L324 A327 L328 | T276-L280 HydrophobicContact CG2-CD1 3.75Å; T276-L280 HydrophobicContact CG2-CG 4.39Å; T276-L280 WeakPolarHBondContact O-CB 3.49Å; T276-L280 WeakPolarHBondContact O-CG 3.44Å; T276-L280 PolarHBondContact O-N 3.01Å; L280-R282 PolarHBondContact O-N 3.2Å; L280-L285 HydrophobicContact CB-CD1 4.36Å; L280-L285 HydrophobicContact CB-CG 4.47Å; L280-L285 HydrophobicContact CD2-CG 4.47Å; L280-L285 VanDerWaalsContact O-CB 3.23Å; L280-L285 WeakPolarHBondContact O-CB 3.34Å; L280-L285 VanDerWaalsContact O-CG 3.32Å; L280-L285 WeakPolarHBondContact O-CG 3.27Å; L280-L285 PolarHBondContact O-N 3.25Å; L280-P286 VanDerWaalsContact O-CD 3.31Å; L280-P286 WeakPolarHBondContact O-CD 3.39Å; L280-L324 HydrophobicContact CD1-CD1 4.24Å; L280-L324 HydrophobicContact CD2-CD1 3.79Å; L280-L324 HydrophobicContact CG-CD1 3.66Å; L280-A327 HydrophobicContact CD1-CB 3.83Å; L280-L328 HydrophobicContact CD2-CB 4.15Å; L280-L328 HydrophobicContact CD2-CD1 4.43Å |
| 281 | N | 89.1 | Confident | 90.9 | Very high | 47 Ų | 47 | 21.9 Ų | 21.9 | 25% | 0.251 | 11% | 0.109 | S | C | . | . | I | π-helix | trans | -81.5 | -13.2 | -167.2 | -65.3 | -44.2 | 0 | 0 | 0 | 114.1 | D277 R361 | D277-N281 VanDerWaalsContact O-CB 3.29Å; D277-N281 WeakPolarHBondContact O-CB 3.46Å; D277-N281 PolarHBondContact O-N 2.69Å; D277-N281 PolarHBondContact OD1-ND2 3.49Å; N281-R361 PolarHBondContact OD1-NE 3.43Å; N281-R361 PolarHBondContact OD1-NH1 3.17Å |
| 282 | R | 88.9 | Confident | 90.5 | Very high | 101 Ų | 101 | 22.1 Ų | 22.1 | 38% | 0.381 | 11% | 0.11 | S | C | . | . | I | π-helix | trans | -121 | -8.4 | 178.8 | -45.1 | -174.5 | -174.1 | -141 | -9 | 115.7 | S217 V220 H278 L280 P286 F363 | S217-R282 PolarHBondContact OG-NH1 2.68Å; V220-R282 HydrophobicContact CG1-CB 4.28Å; H278-R282 PolarHBondContact CD2-NE 3.36Å; H278-R282 VanDerWaalsContact CD2-NE 3.34Å; H278-R282 PolarHBondContact NE2-NE 2.71Å; H278-R282 WeakPolarHBondContact O-CA 3.43Å; H278-R282 WeakPolarHBondContact O-CB 3.45Å; H278-R282 PolarHBondContact O-N 3.18Å; H278-R282 VanDerWaalsContact O-N 3.07Å; L280-R282 PolarHBondContact O-N 3.2Å; R282-P286 VanDerWaalsContact C-CG 3.44Å; R282-F363 VanDerWaalsContact O-CD2 3.24Å; R282-F363 WeakPolarHBondContact O-CD2 3.38Å |
| 283 | L | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -135.8 | -71.5 | 178 | 178.2 | 68.9 | 0 | 0 | 0 | 113.4 | V220 I223 L279 L285 P286 L287 Y288 F363 | V220-L283 HydrophobicContact CG1-CB 3.45Å; V220-L283 VanDerWaalsContact CG1-CB 3.45Å; V220-L283 HydrophobicContact CG1-CD2 4.13Å; V220-L283 HydrophobicContact CG1-CG 4.33Å; I223-L283 HydrophobicContact CB-CD2 4.41Å; I223-L283 HydrophobicContact CG2-CD2 3.88Å; L279-L283 HydrophobicContact CD2-CD2 4.27Å; L279-L283 CarbonylContact O-C 3.48Å; L279-L283 PolarHBondContact O-N 3.47Å; L279-L283 VanDerWaalsContact O-N 3.13Å; L283-L285 PolarHBondContact O-N 3.09Å; L283-P286 WeakPolarHBondContact O-CD 2.99Å; L283-L287 HydrophobicContact CD1-CB 4.33Å; L283-L287 HydrophobicContact CD1-CD2 3.77Å; L283-L287 WeakPolarHBondContact O-CA 3.43Å; L283-L287 VanDerWaalsContact O-CB 3.29Å; L283-L287 WeakPolarHBondContact O-CB 3.37Å; L283-L287 PolarHBondContact O-N 2.8Å; L283-Y288 HydrophobicContact CD1-CE1 3.79Å; L283-Y288 HydrophobicContact CG-CE1 4.11Å; L283-Y288 PolarHBondContact O-N 3.08Å; L283-F363 HydrophobicContact CD1-CD2 4.49Å; L283-F363 HydrophobicContact CD1-CE2 4.18Å |
| 284 | F | 92.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -60 | -45.7 | -169.3 | -63.2 | -19.2 | 0 | 0 | 0 | 111.9 | L279 Y288 V289 V315 I319 L324 L328 | L279-F284 HydrophobicContact CB-CD2 4.1Å; L279-F284 HydrophobicContact CB-CE2 3.92Å; L279-F284 HydrophobicContact CB-CZ 4.33Å; L279-F284 HydrophobicContact CD1-CE2 4.29Å; L279-F284 HydrophobicContact CD1-CZ 4.38Å; L279-F284 HydrophobicContact CD2-CE1 4.3Å; L279-F284 HydrophobicContact CD2-CE2 4.43Å; L279-F284 HydrophobicContact CD2-CZ 4Å; L279-F284 HydrophobicContact CG-CE2 4.45Å; L279-F284 HydrophobicContact CG-CZ 4.47Å; L279-F284 PolarHBondContact O-N 3.15Å; F284-Y288 AromaticContact CD1-CD2 3.8Å; F284-Y288 HydrophobicContact CD1-CD2 3.8Å; F284-Y288 AromaticContact CD1-CE2 3.5Å; F284-Y288 HydrophobicContact CD1-CE2 3.5Å; F284-Y288 HydrophobicContact CE1-CD2 4.5Å; F284-Y288 AromaticContact CE1-CE2 3.8Å; F284-Y288 HydrophobicContact CE1-CE2 3.8Å; F284-Y288 WeakPolarHBondContact O-CA 3.3Å; F284-Y288 VanDerWaalsContact O-CB 3.3Å; F284-Y288 WeakPolarHBondContact O-CB 3.42Å; F284-Y288 PolarHBondContact O-N 2.83Å; F284-V289 WeakPolarHBondContact O-CG2 3.4Å; F284-V289 PolarHBondContact O-N 2.76Å; F284-V315 HydrophobicContact CD1-CG2 4.35Å; F284-V315 HydrophobicContact CD2-CG1 4.48Å; F284-V315 HydrophobicContact CE1-CG2 3.7Å; F284-V315 HydrophobicContact CE2-CG1 3.95Å; F284-V315 HydrophobicContact CE2-CG2 4.4Å; F284-V315 HydrophobicContact CZ-CG1 4.07Å; F284-V315 HydrophobicContact CZ-CG2 3.73Å; F284-I319 HydrophobicContact CE2-CD1 4.33Å; F284-I319 HydrophobicContact CZ-CD1 4Å; F284-L324 HydrophobicContact CD2-CD1 4.09Å; F284-L324 HydrophobicContact CE2-CD1 4.02Å; F284-L324 HydrophobicContact CE2-CD2 4.27Å; F284-L324 HydrophobicContact CE2-CG 4.4Å; F284-L328 HydrophobicContact CB-CD1 3.96Å; F284-L328 HydrophobicContact CB-CD2 4.48Å; F284-L328 HydrophobicContact CD2-CD2 4.06Å; F284-L328 HydrophobicContact CG-CD2 4.47Å |
| 285 | L | 89.4 | Confident | 86.4 | Confident | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -72.5 | -61.1 | 175.6 | -54.1 | -177.1 | 0 | 0 | 0 | 111.9 | L280 L283 L287 V289 Y290 L328 V331 V339 F340 R361 | L280-L285 HydrophobicContact CB-CD1 4.36Å; L280-L285 HydrophobicContact CB-CG 4.47Å; L280-L285 HydrophobicContact CD2-CG 4.47Å; L280-L285 VanDerWaalsContact O-CB 3.23Å; L280-L285 WeakPolarHBondContact O-CB 3.34Å; L280-L285 VanDerWaalsContact O-CG 3.32Å; L280-L285 WeakPolarHBondContact O-CG 3.27Å; L280-L285 PolarHBondContact O-N 3.25Å; L283-L285 PolarHBondContact O-N 3.09Å; L285-L287 PolarHBondContact O-N 3.1Å; L285-V289 HydrophobicContact CD2-CB 4.24Å; L285-V289 HydrophobicContact CD2-CG2 3.88Å; L285-V289 PolarHBondContact O-N 2.8Å; L285-Y290 WeakPolarHBondContact O-CB 3.38Å; L285-Y290 PolarHBondContact O-N 3.48Å; L285-L328 HydrophobicContact CD2-CD1 3.81Å; L285-V331 HydrophobicContact CD1-CG2 4.5Å; L285-V331 HydrophobicContact CD2-CB 4.08Å; L285-V331 HydrophobicContact CD2-CG1 3.68Å; L285-V331 HydrophobicContact CD2-CG2 4.48Å; L285-V339 HydrophobicContact CD1-CG1 4.35Å; L285-F340 HydrophobicContact CB-CE1 4Å; L285-F340 HydrophobicContact CB-CZ 4.45Å; L285-F340 WeakPolarHBondContact O-CE1 3.44Å; L285-R361 VanDerWaalsContact CD1-NH1 3.27Å |
| 286 | P | 87.9 | Confident | 84.1 | Confident | 10 Ų | 10 | 32 Ų | 32 | 7% | 0.065 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -76.1 | -13.1 | -169.3 | 32.5 | -39.8 | 0 | 0 | 0 | 115.7 | L280 R282 L283 | L280-P286 VanDerWaalsContact O-CD 3.31Å; L280-P286 WeakPolarHBondContact O-CD 3.39Å; R282-P286 VanDerWaalsContact C-CG 3.44Å; L283-P286 WeakPolarHBondContact O-CD 2.99Å |
| 287 | L | 89 | Confident | 81.9 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -114.5 | -37.3 | 177.3 | -170.2 | 65 | 0 | 0 | 0 | 113.3 | V227 I228 L283 L285 S291 I303 F363 | V227-L287 HydrophobicContact CG1-CD2 4.12Å; I228-L287 HydrophobicContact CD1-CD1 4.1Å; I228-L287 HydrophobicContact CD1-CD2 4.36Å; I228-L287 HydrophobicContact CG1-CD1 4.25Å; I228-L287 HydrophobicContact CG1-CD2 4.39Å; L283-L287 HydrophobicContact CD1-CB 4.33Å; L283-L287 HydrophobicContact CD1-CD2 3.77Å; L283-L287 WeakPolarHBondContact O-CA 3.43Å; L283-L287 VanDerWaalsContact O-CB 3.29Å; L283-L287 WeakPolarHBondContact O-CB 3.37Å; L283-L287 PolarHBondContact O-N 2.8Å; L285-L287 PolarHBondContact O-N 3.1Å; L287-S291 WeakPolarHBondContact O-CB 3.5Å; L287-I303 HydrophobicContact CD1-CG2 4.24Å; L287-I303 WeakPolarHBondContact O-CG1 3.39Å; L287-F363 HydrophobicContact CB-CB 4.38Å; L287-F363 HydrophobicContact CB-CD2 4.19Å; L287-F363 HydrophobicContact CB-CG 4.4Å; L287-F363 HydrophobicContact CD1-CG 4.38Å; L287-F363 HydrophobicContact CD2-CD2 4.03Å; L287-F363 HydrophobicContact CD2-CE2 4.13Å; L287-F363 HydrophobicContact CD2-CG 4.36Å; L287-F363 HydrophobicContact CD2-CZ 4.49Å |
| 288 | Y | 91.3 | Very high | 79.8 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -92.1 | -71.4 | 178.9 | -50.3 | -7.8 | 0 | 0 | 0 | 110 | V227 H253 L283 F284 Y290 S291 L292 I303 S308 L311 L312 V315 | V227-Y288 HydrophobicContact CG1-CE1 4.08Å; V227-Y288 HydrophobicContact CG2-CE1 4.21Å; H253-Y288 PolarHBondContact CE1-OH 3.04Å; H253-Y288 VanDerWaalsContact CE1-OH 3.28Å; L283-Y288 HydrophobicContact CD1-CE1 3.79Å; L283-Y288 HydrophobicContact CG-CE1 4.11Å; L283-Y288 PolarHBondContact O-N 3.08Å; F284-Y288 AromaticContact CD1-CD2 3.8Å; F284-Y288 HydrophobicContact CD1-CD2 3.8Å; F284-Y288 AromaticContact CD1-CE2 3.5Å; F284-Y288 HydrophobicContact CD1-CE2 3.5Å; F284-Y288 HydrophobicContact CE1-CD2 4.5Å; F284-Y288 AromaticContact CE1-CE2 3.8Å; F284-Y288 HydrophobicContact CE1-CE2 3.8Å; F284-Y288 WeakPolarHBondContact O-CA 3.3Å; F284-Y288 VanDerWaalsContact O-CB 3.3Å; F284-Y288 WeakPolarHBondContact O-CB 3.42Å; F284-Y288 PolarHBondContact O-N 2.83Å; Y288-Y290 VanDerWaalsContact C-N 3.31Å; Y288-Y290 PolarHBondContact O-N 3.24Å; Y288-S291 WeakPolarHBondContact O-CA 3.23Å; Y288-S291 VanDerWaalsContact O-CB 3.29Å; Y288-S291 WeakPolarHBondContact O-CB 3.42Å; Y288-S291 PolarHBondContact O-N 2.89Å; Y288-L292 PolarHBondContact O-N 3.22Å; Y288-I303 HydrophobicContact CD1-CD1 4.14Å; Y288-S308 WeakPolarHBondContact CA-OG 3.49Å; Y288-S308 PolarHBondContact O-OG 3.22Å; Y288-L311 HydrophobicContact CD1-CD1 4.3Å; Y288-L311 HydrophobicContact CD2-CB 4.11Å; Y288-L311 HydrophobicContact CE1-CD1 3.98Å; Y288-L311 HydrophobicContact CE2-CB 3.88Å; Y288-L312 HydrophobicContact CD2-CD2 3.94Å; Y288-L312 HydrophobicContact CD2-CG 4.2Å; Y288-L312 HydrophobicContact CG-CD2 4.47Å; Y288-V315 HydrophobicContact CE2-CG2 4.19Å |
| 289 | V | 89 | Confident | 77.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -57.4 | -41.9 | -173.7 | -176.6 | 0 | 0 | 0 | 0 | 112.1 | F284 L285 S291 L292 L312 L328 V331 I332 F340 F471 | F284-V289 WeakPolarHBondContact O-CG2 3.4Å; F284-V289 PolarHBondContact O-N 2.76Å; L285-V289 HydrophobicContact CD2-CB 4.24Å; L285-V289 HydrophobicContact CD2-CG2 3.88Å; L285-V289 PolarHBondContact O-N 2.8Å; V289-S291 PolarHBondContact O-N 3Å; V289-L292 VanDerWaalsContact O-CB 3.25Å; V289-L292 WeakPolarHBondContact O-CB 3.43Å; V289-L292 WeakPolarHBondContact O-CG 3.31Å; V289-L292 PolarHBondContact O-N 2.79Å; V289-L312 HydrophobicContact CG2-CD1 4.29Å; V289-L312 HydrophobicContact CG2-CD2 4.11Å; V289-L328 HydrophobicContact CG2-CD1 3.75Å; V289-V331 HydrophobicContact CG1-CG1 4.42Å; V289-I332 HydrophobicContact CB-CG1 4.49Å; V289-I332 HydrophobicContact CG1-CG1 4.02Å; V289-I332 HydrophobicContact CG2-CD1 3.89Å; V289-I332 HydrophobicContact CG2-CG1 3.6Å; V289-F340 HydrophobicContact CG1-CZ 4.33Å; V289-F471 HydrophobicContact CG1-CD1 3.69Å; V289-F471 HydrophobicContact CG1-CE1 3.73Å; V289-F471 HydrophobicContact CG1-CG 4.15Å; V289-F471 HydrophobicContact CG1-CZ 4.19Å; V289-F471 WeakPolarHBondContact O-CE1 3.44Å |
| 290 | Y | 85.4 | Confident | 75.8 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 18% | 0.184 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -61.7 | -28.1 | 175.9 | -169.7 | -107 | 0 | 0 | 0 | 113.5 | L285 Y288 L292 P295 F340 | L285-Y290 WeakPolarHBondContact O-CB 3.38Å; L285-Y290 PolarHBondContact O-N 3.48Å; Y288-Y290 VanDerWaalsContact C-N 3.31Å; Y288-Y290 PolarHBondContact O-N 3.24Å; Y290-L292 VanDerWaalsContact C-N 3.28Å; Y290-L292 PolarHBondContact O-N 2.8Å; Y290-P295 HydrophobicContact CE2-CG 4.31Å; Y290-P295 WeakPolarHBondContact OH-CG 3.38Å; Y290-F340 AromaticContact CD2-CD1 3.77Å; Y290-F340 HydrophobicContact CD2-CD1 3.77Å; Y290-F340 HydrophobicContact CD2-CD2 4.18Å; Y290-F340 AromaticContact CD2-CE1 3.96Å; Y290-F340 HydrophobicContact CD2-CE1 3.96Å; Y290-F340 HydrophobicContact CD2-CE2 4.38Å; Y290-F340 AromaticContact CD2-CG 3.9Å; Y290-F340 HydrophobicContact CD2-CG 3.9Å; Y290-F340 HydrophobicContact CD2-CZ 4.26Å; Y290-F340 HydrophobicContact CE2-CG 4.41Å; Y290-F340 HydrophobicContact CG-CD1 4.32Å; Y290-F340 HydrophobicContact CG-CE1 4.25Å |
| 291 | S | 86.7 | Confident | 74.3 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 5% | 0.049 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -76.3 | -11.1 | 175.8 | -109.4 | 0 | 0 | 0 | 0 | 114.2 | L287 Y288 V289 V293 K302 I303 | L287-S291 WeakPolarHBondContact O-CB 3.5Å; Y288-S291 WeakPolarHBondContact O-CA 3.23Å; Y288-S291 VanDerWaalsContact O-CB 3.29Å; Y288-S291 WeakPolarHBondContact O-CB 3.42Å; Y288-S291 PolarHBondContact O-N 2.89Å; V289-S291 PolarHBondContact O-N 3Å; S291-V293 VanDerWaalsContact C-N 3.32Å; S291-K302 WeakPolarHBondContact OG-CA 3.4Å; S291-K302 WeakPolarHBondContact OG-CB 3.36Å; S291-I303 WeakPolarHBondContact CB-O 3.31Å; S291-I303 WeakPolarHBondContact OG-CG1 3.29Å; S291-I303 PolarHBondContact OG-N 3.33Å; S291-I303 PolarHBondContact OG-O 3.29Å |
| 292 | L | 83.3 | Confident | 73.5 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -73.5 | -23.9 | 174 | -61.4 | -176.1 | 0 | 0 | 0 | 112.7 | Y288 V289 Y290 S308 L309 L312 F471 M474 | Y288-L292 PolarHBondContact O-N 3.22Å; V289-L292 VanDerWaalsContact O-CB 3.25Å; V289-L292 WeakPolarHBondContact O-CB 3.43Å; V289-L292 WeakPolarHBondContact O-CG 3.31Å; V289-L292 PolarHBondContact O-N 2.79Å; Y290-L292 VanDerWaalsContact C-N 3.28Å; Y290-L292 PolarHBondContact O-N 2.8Å; L292-S308 VanDerWaalsContact CD2-OG 3.31Å; L292-S308 WeakPolarHBondContact CD2-OG 3.32Å; L292-L309 HydrophobicContact CD2-CD2 3.87Å; L292-L309 HydrophobicContact CD2-CG 3.79Å; L292-L312 HydrophobicContact CD1-CD1 3.78Å; L292-L312 HydrophobicContact CD2-CD1 4.28Å; L292-L312 HydrophobicContact CG-CD1 4.25Å; L292-F471 HydrophobicContact CB-CD1 4.11Å; L292-M474 HydrophobicContact CB-CE 3.75Å; L292-M474 HydrophobicContact CD1-CE 4.25Å; L292-M474 HydrophobicContact CD2-CE 3.75Å; L292-M474 HydrophobicContact CG-CE 4.12Å; L292-M474 WeakPolarHBondContact O-CG 3.32Å |
| 293 | V | 77.8 | Confident | 73.5 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 15% | 0.145 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -121 | 131.7 | -177.6 | 175 | 0 | 0 | 0 | 0 | 108.5 | S291 P295 L337 P470 F471 | S291-V293 VanDerWaalsContact C-N 3.32Å; V293-P295 WeakPolarHBondContact O-CD 3.3Å; V293-L337 HydrophobicContact CG1-CD2 4.15Å; V293-P470 HydrophobicContact CG1-CB 4.22Å; V293-P470 HydrophobicContact CG2-CB 3.91Å; V293-P470 HydrophobicContact CG2-CG 4.39Å; V293-F471 HydrophobicContact CB-CD1 4.4Å; V293-F471 HydrophobicContact CB-CE1 3.93Å; V293-F471 HydrophobicContact CG2-CD1 3.41Å; V293-F471 VanDerWaalsContact CG2-CD1 3.41Å; V293-F471 HydrophobicContact CG2-CE1 3.39Å; V293-F471 HydrophobicContact CG2-CG 4.17Å; V293-F471 HydrophobicContact CG2-CZ 4.15Å |
| 294 | S | 60.2 | Low | 73.3 | Confident | 92 Ų | 92 | 55 Ų | 55 | 64% | 0.643 | 28% | 0.278 | S | S | * | . | trans | -101.5 | 94.2 | 176.9 | -165.4 | 0 | 0 | 0 | 0 | 111.6 | E296 K302 | S294-E296 PolarHBondContact O-N 2.84Å; S294-K302 PolarHBondContact OG-NZ 3.44Å | ||
| 295 | P | 54.1 | Low | 73.1 | Confident | 27 Ų | 27 | 57 Ų | 57 | 18% | 0.175 | 29% | 0.291 | C | S | . | . | trans | -67.4 | 128.3 | 156.3 | 28.7 | -30.7 | 0 | 0 | 0 | 108 | Y290 V293 T297 K302 | Y290-P295 HydrophobicContact CE2-CG 4.31Å; Y290-P295 WeakPolarHBondContact OH-CG 3.38Å; V293-P295 WeakPolarHBondContact O-CD 3.3Å; P295-T297 PolarHBondContact O-N 3.43Å; P295-K302 PolarHBondContact O-NZ 2.83Å | ||
| 296 | E | 46 | Very low | 73.2 | Confident | 195 Ų | 195 | 57.8 Ų | 57.8 | 91% | 0.911 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 3.3 | -174.9 | -56.7 | -176.8 | 135 | 0 | 0 | 114.2 | S294 | S294-E296 PolarHBondContact O-N 2.84Š|
| 297 | T | 47.1 | Very low | 73.4 | Confident | 133 Ų | 133 | 57.3 Ų | 57.3 | 82% | 0.816 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.8 | 9.7 | -162.2 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | P295 | P295-T297 PolarHBondContact O-N 3.43Š|
| 298 | S | 47.9 | Very low | 73.6 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 22% | 0.217 | 29% | 0.291 | C | S | . | . | trans | -136.7 | 115.3 | 179.5 | -176 | 0 | 0 | 0 | 0 | 112.6 | E300 K302 | S298-E300 VanDerWaalsContact C-N 3.33Å; S298-E300 PolarHBondContact OG-N 2.87Å; S298-K302 WeakPolarHBondContact O-CE 3.47Å; S298-K302 PolarHBondContact O-NZ 2.82Å | ||
| 299 | E | 49.4 | Very low | 73.7 | Confident | 203 Ų | 203 | 57.2 Ų | 57.2 | 95% | 0.949 | 29% | 0.291 | S | S | * | . | trans | -85.8 | -0.6 | 170.5 | -63.2 | -164.9 | 149.7 | 0 | 0 | 113.1 | R301 | E299-R301 PolarHBondContact O-N 2.9Š| ||
| 300 | E | 52.4 | Low | 74 | Confident | 96 Ų | 96 | 57.2 Ų | 57.2 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -76.4 | 87.7 | -172.8 | -68.7 | -166.5 | -154.3 | 0 | 0 | 112.9 | S298 K302 R362 | S298-E300 VanDerWaalsContact C-N 3.33Å; S298-E300 PolarHBondContact OG-N 2.87Å; E300-K302 PolarHBondContact O-N 2.88Å; E300-R362 IonicContact OE1-CZ 3.21Å; E300-R362 IonicContact OE1-NH1 2.72Å; E300-R362 PolarHBondContact OE1-NH1 3.39Å; E300-R362 IonicContact OE1-NH2 2.73Å; E300-R362 PolarHBondContact OE1-NH2 3.18Å; E300-R362 VanDerWaalsContact OE2-CD 3.27Å; E300-R362 WeakPolarHBondContact OE2-CD 3.5Å; E300-R362 IonicContact OE2-CZ 2.78Å; E300-R362 IonicContact OE2-NE 2.71Å; E300-R362 PolarHBondContact OE2-NE 3.29Å; E300-R362 IonicContact OE2-NH1 2.69Å; E300-R362 PolarHBondContact OE2-NH1 3.41Å; E300-R362 IonicContact OE2-NH2 3.14Å; E300-R362 PolarHBondContact OE2-NH2 2.93Å |
| 301 | R | 60.5 | Low | 74.4 | Confident | 162 Ų | 162 | 55 Ų | 55 | 61% | 0.611 | 28% | 0.282 | S | S | * | . | trans | 49.4 | 54.4 | 161.2 | -60.6 | -174.8 | 179.1 | -162.9 | -0.4 | 115.6 | E299 | E299-R301 PolarHBondContact O-N 2.9Š| ||
| 302 | K | 72.1 | Confident | 74.8 | Confident | 64 Ų | 64 | 54.7 Ų | 54.7 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 134.9 | 160.5 | -62.9 | 170.1 | -179.9 | 167.1 | 0 | 109.5 | S291 S294 P295 S298 E300 | S291-K302 WeakPolarHBondContact OG-CA 3.4Å; S291-K302 WeakPolarHBondContact OG-CB 3.36Å; S294-K302 PolarHBondContact OG-NZ 3.44Å; P295-K302 PolarHBondContact O-NZ 2.83Å; S298-K302 WeakPolarHBondContact O-CE 3.47Å; S298-K302 PolarHBondContact O-NZ 2.82Å; E300-K302 PolarHBondContact O-N 2.88Å |
| 303 | I | 89.1 | Confident | 75.4 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 165.5 | 157.2 | 58.4 | 174.3 | 0 | 0 | 0 | 109.7 | V227 I228 D231 L287 Y288 S291 V307 L311 | V227-I303 HydrophobicContact CG1-CD1 3.94Å; V227-I303 HydrophobicContact CG1-CG2 4.14Å; I228-I303 HydrophobicContact CG1-CG2 4.1Å; D231-I303 HydrophobicContact CB-CB 4.07Å; D231-I303 HydrophobicContact CB-CG2 3.82Å; L287-I303 HydrophobicContact CD1-CG2 4.24Å; L287-I303 WeakPolarHBondContact O-CG1 3.39Å; Y288-I303 HydrophobicContact CD1-CD1 4.14Å; S291-I303 WeakPolarHBondContact CB-O 3.31Å; S291-I303 WeakPolarHBondContact OG-CG1 3.29Å; S291-I303 PolarHBondContact OG-N 3.33Å; S291-I303 PolarHBondContact OG-O 3.29Å; I303-V307 HydrophobicContact CD1-CG1 4.4Å; I303-L311 HydrophobicContact CD1-CD1 3.97Å |
| 304 | N | 88.7 | Confident | 76.2 | Confident | 47 Ų | 47 | 53.4 Ų | 53.4 | 25% | 0.251 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 148.9 | 179.2 | -67.7 | -75 | 0 | 0 | 0 | 112.7 | D231 Q235 Q306 V307 S308 | D231-N304 WeakPolarHBondContact OD1-CB 3.49Å; D231-N304 PolarHBondContact OD1-N 3.46Å; D231-N304 PolarHBondContact OD1-ND2 2.84Å; D231-N304 PolarHBondContact OD2-ND2 2.97Å; Q235-N304 VanDerWaalsContact CG-ND2 3.27Å; Q235-N304 WeakPolarHBondContact CG-ND2 3.08Å; Q235-N304 PolarHBondContact NE2-ND2 3.49Å; N304-Q306 VanDerWaalsContact C-N 3.32Å; N304-Q306 PolarHBondContact O-N 2.93Å; N304-V307 HydrophobicContact CB-CG2 4.39Å; N304-V307 PolarHBondContact O-N 3.41Å; N304-V307 VanDerWaalsContact O-N 3.1Å; N304-S308 PolarHBondContact O-N 2.89Å |
| 305 | P | 88.4 | Confident | 77.8 | Confident | 43 Ų | 43 | 49 Ų | 49 | 28% | 0.279 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.1 | -40.3 | 179.8 | -27.1 | 35.6 | 0 | 0 | 0 | 113.9 | V307 S308 L309 | P305-V307 VanDerWaalsContact C-N 3.34Å; P305-V307 PolarHBondContact O-N 2.96Å; P305-S308 PolarHBondContact O-N 3.47Å; P305-L309 WeakPolarHBondContact O-CB 2.92Å; P305-L309 WeakPolarHBondContact O-CG 3.29Å; P305-L309 PolarHBondContact O-N 3.29Å |
| 306 | Q | 90 | Very high | 79.7 | Confident | 19 Ų | 19 | 47.7 Ų | 47.7 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.8 | -36.8 | 178.1 | 71.8 | -82.1 | 10 | 0 | 0 | 112.9 | N304 Y310 Y486 F490 | N304-Q306 VanDerWaalsContact C-N 3.32Å; N304-Q306 PolarHBondContact O-N 2.93Å; Q306-Y310 WeakPolarHBondContact O-CB 3.39Å; Q306-Y310 PolarHBondContact O-N 3.32Å; Q306-Y486 HydrophobicContact CG-CE1 3.89Å; Q306-Y486 HydrophobicContact CG-CE2 4.21Å; Q306-Y486 PolarHBondContact NE2-OH 2.82Å; Q306-F490 HydrophobicContact CB-CD2 3.84Å; Q306-F490 HydrophobicContact CB-CE2 3.91Å |
| 307 | V | 92.9 | Very high | 82 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.3 | -41.4 | 176.8 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | L230 D231 V234 I303 N304 P305 Y310 L311 L627 | L230-V307 HydrophobicContact CD2-CG1 3.81Å; D231-V307 HydrophobicContact CB-CG1 4.23Å; D231-V307 HydrophobicContact CB-CG2 4.48Å; D231-V307 WeakPolarHBondContact OD1-CG2 3.11Å; V234-V307 HydrophobicContact CB-CG2 4.47Å; V234-V307 HydrophobicContact CG1-CG2 4.45Å; V234-V307 HydrophobicContact CG2-CG2 4.33Å; I303-V307 HydrophobicContact CD1-CG1 4.4Å; N304-V307 HydrophobicContact CB-CG2 4.39Å; N304-V307 PolarHBondContact O-N 3.41Å; N304-V307 VanDerWaalsContact O-N 3.1Å; P305-V307 VanDerWaalsContact C-N 3.34Å; P305-V307 PolarHBondContact O-N 2.96Å; V307-Y310 PolarHBondContact O-N 3.33Å; V307-L311 HydrophobicContact CG1-CD1 3.82Å; V307-L311 HydrophobicContact CG1-CG 4.35Å; V307-L311 WeakPolarHBondContact O-CD1 3.47Å; V307-L311 WeakPolarHBondContact O-CG 3.28Å; V307-L311 PolarHBondContact O-N 3.25Å; V307-L627 HydrophobicContact CG2-CD2 4.34Å |
| 308 | S | 93.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.2 | -47.8 | 173.1 | 178.3 | 0 | 0 | 0 | 0 | 112.7 | Y288 L292 N304 P305 Y310 L311 L312 | Y288-S308 WeakPolarHBondContact CA-OG 3.49Å; Y288-S308 PolarHBondContact O-OG 3.22Å; L292-S308 VanDerWaalsContact CD2-OG 3.31Å; L292-S308 WeakPolarHBondContact CD2-OG 3.32Å; N304-S308 PolarHBondContact O-N 2.89Å; P305-S308 PolarHBondContact O-N 3.47Å; S308-Y310 VanDerWaalsContact C-N 3.31Å; S308-Y310 PolarHBondContact O-N 3.46Å; S308-L311 PolarHBondContact O-N 2.86Å; S308-L312 WeakPolarHBondContact O-CB 3.4Å; S308-L312 VanDerWaalsContact O-CG 3.29Å; S308-L312 WeakPolarHBondContact O-CG 3.42Å; S308-L312 PolarHBondContact O-N 3.05Å |
| 309 | L | 93.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 178.2 | -75 | 168.6 | 0 | 0 | 0 | 111.9 | L292 P305 S313 M474 F490 V491 L494 | L292-L309 HydrophobicContact CD2-CD2 3.87Å; L292-L309 HydrophobicContact CD2-CG 3.79Å; P305-L309 WeakPolarHBondContact O-CB 2.92Å; P305-L309 WeakPolarHBondContact O-CG 3.29Å; P305-L309 PolarHBondContact O-N 3.29Å; L309-S313 WeakPolarHBondContact O-CB 3.42Å; L309-S313 PolarHBondContact O-N 2.85Å; L309-S313 PolarHBondContact O-OG 3.09Å; L309-M474 HydrophobicContact CD1-CE 4.38Å; L309-M474 HydrophobicContact CD2-CE 4.15Å; L309-M474 HydrophobicContact CG-CE 4.45Å; L309-F490 HydrophobicContact CB-CB 3.56Å; L309-F490 HydrophobicContact CD1-CB 4.24Å; L309-V491 HydrophobicContact CD1-CG2 3.66Å; L309-V491 HydrophobicContact CD2-CG2 3.96Å; L309-V491 HydrophobicContact CG-CG2 4.46Å; L309-L494 HydrophobicContact CD2-CD2 3.71Å |
| 310 | Y | 94.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.1 | -51 | 174.6 | 175.5 | -101.2 | 0 | 0 | 0 | 112 | V250 Q306 V307 S308 L312 S313 Q314 F490 M621 I626 L627 | V250-Y310 WeakPolarHBondContact CG1-OH 3.36Å; V250-Y310 HydrophobicContact CG2-CE1 4.22Å; Q306-Y310 WeakPolarHBondContact O-CB 3.39Å; Q306-Y310 PolarHBondContact O-N 3.32Å; V307-Y310 PolarHBondContact O-N 3.33Å; S308-Y310 VanDerWaalsContact C-N 3.31Å; S308-Y310 PolarHBondContact O-N 3.46Å; Y310-L312 PolarHBondContact O-N 3.48Å; Y310-S313 WeakPolarHBondContact O-CB 3.48Å; Y310-S313 PolarHBondContact O-N 3.44Å; Y310-Q314 VanDerWaalsContact CE1-NE2 3.28Å; Y310-Q314 PolarHBondContact O-N 3.07Å; Y310-Q314 PolarHBondContact OH-NE2 3.13Å; Y310-F490 HydrophobicContact CD2-CD1 4.03Å; Y310-F490 AromaticContact CD2-CE1 3.58Å; Y310-F490 HydrophobicContact CD2-CE1 3.58Å; Y310-F490 HydrophobicContact CE2-CE1 4.5Å; Y310-F490 HydrophobicContact CG-CD1 4.48Å; Y310-F490 HydrophobicContact CG-CE1 4.21Å; Y310-M621 HydrophobicContact CD2-CE 3.21Å; Y310-M621 HydrophobicContact CD2-SD 4.02Å; Y310-M621 HydrophobicContact CE2-CE 3.57Å; Y310-M621 VanDerWaalsContact CE2-O 3.28Å; Y310-M621 WeakPolarHBondContact CE2-O 3.39Å; Y310-M621 HydrophobicContact CE2-SD 4.3Å; Y310-M621 HydrophobicContact CG-CE 3.88Å; Y310-M621 VanDerWaalsContact CZ-O 3.32Å; Y310-M621 WeakPolarHBondContact O-CE 3.42Å; Y310-M621 PolarHBondContact OH-O 2.88Å; Y310-I626 HydrophobicContact CE2-CD1 4.4Å; Y310-I626 HydrophobicContact CE2-CG1 4.44Å; Y310-L627 HydrophobicContact CD1-CD1 3.89Å; Y310-L627 HydrophobicContact CD1-CD2 3.78Å; Y310-L627 HydrophobicContact CD1-CG 4.09Å; Y310-L627 HydrophobicContact CD2-CD2 4.04Å; Y310-L627 HydrophobicContact CD2-CG 4.17Å; Y310-L627 HydrophobicContact CE1-CD1 3.63Å; Y310-L627 HydrophobicContact CE1-CD2 4.33Å; Y310-L627 HydrophobicContact CE1-CG 4.13Å; Y310-L627 HydrophobicContact CE2-CD1 4.48Å; Y310-L627 HydrophobicContact CE2-CG 4.21Å; Y310-L627 HydrophobicContact CG-CD1 4.4Å; Y310-L627 HydrophobicContact CG-CD2 3.59Å; Y310-L627 HydrophobicContact CG-CG 4.09Å |
| 311 | L | 95.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.1 | -39.1 | -179.8 | -64.9 | 166.8 | 0 | 0 | 0 | 112.3 | V227 H253 Y288 I303 V307 S308 Q314 V315 | V227-L311 HydrophobicContact CB-CD1 4.3Å; V227-L311 HydrophobicContact CG1-CD1 3.47Å; V227-L311 VanDerWaalsContact CG1-CD1 3.47Å; V227-L311 HydrophobicContact CG2-CD1 3.85Å; V227-L311 HydrophobicContact CG2-CD2 4.17Å; H253-L311 VanDerWaalsContact CD2-CD2 3.45Å; H253-L311 WeakPolarHBondContact CD2-CD2 3.15Å; H253-L311 WeakPolarHBondContact NE2-CD2 3.32Å; Y288-L311 HydrophobicContact CD1-CD1 4.3Å; Y288-L311 HydrophobicContact CD2-CB 4.11Å; Y288-L311 HydrophobicContact CE1-CD1 3.98Å; Y288-L311 HydrophobicContact CE2-CB 3.88Å; I303-L311 HydrophobicContact CD1-CD1 3.97Å; V307-L311 HydrophobicContact CG1-CD1 3.82Å; V307-L311 HydrophobicContact CG1-CG 4.35Å; V307-L311 WeakPolarHBondContact O-CD1 3.47Å; V307-L311 WeakPolarHBondContact O-CG 3.28Å; V307-L311 PolarHBondContact O-N 3.25Å; S308-L311 PolarHBondContact O-N 2.86Å; L311-Q314 PolarHBondContact O-N 3.46Å; L311-V315 WeakPolarHBondContact O-CG2 3.39Å; L311-V315 PolarHBondContact O-N 3.2Å |
| 312 | L | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.2 | -41.3 | 174 | -72.9 | 168.3 | 0 | 0 | 0 | 111.7 | Y288 V289 L292 S308 Y310 Q314 V315 F316 L328 I332 L494 | Y288-L312 HydrophobicContact CD2-CD2 3.94Å; Y288-L312 HydrophobicContact CD2-CG 4.2Å; Y288-L312 HydrophobicContact CG-CD2 4.47Å; V289-L312 HydrophobicContact CG2-CD1 4.29Å; V289-L312 HydrophobicContact CG2-CD2 4.11Å; L292-L312 HydrophobicContact CD1-CD1 3.78Å; L292-L312 HydrophobicContact CD2-CD1 4.28Å; L292-L312 HydrophobicContact CG-CD1 4.25Å; S308-L312 WeakPolarHBondContact O-CB 3.4Å; S308-L312 VanDerWaalsContact O-CG 3.29Å; S308-L312 WeakPolarHBondContact O-CG 3.42Å; S308-L312 PolarHBondContact O-N 3.05Å; Y310-L312 PolarHBondContact O-N 3.48Å; L312-Q314 VanDerWaalsContact C-N 3.32Å; L312-Q314 PolarHBondContact O-N 2.78Å; L312-V315 PolarHBondContact O-N 3.49Å; L312-F316 VanDerWaalsContact O-CD2 3.23Å; L312-F316 WeakPolarHBondContact O-CD2 3.33Å; L312-F316 PolarHBondContact O-N 3.22Å; L312-L328 HydrophobicContact CD2-CD1 4.25Å; L312-L328 HydrophobicContact CD2-CD2 4.07Å; L312-L328 HydrophobicContact CD2-CG 4.5Å; L312-I332 HydrophobicContact CD1-CD1 4.21Å; L312-I332 HydrophobicContact CD2-CD1 4.01Å; L312-L494 HydrophobicContact CB-CD1 3.94Å |
| 313 | S | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 174.5 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | L309 Y310 F316 L317 F490 L494 | L309-S313 WeakPolarHBondContact O-CB 3.42Å; L309-S313 PolarHBondContact O-N 2.85Å; L309-S313 PolarHBondContact O-OG 3.09Å; Y310-S313 WeakPolarHBondContact O-CB 3.48Å; Y310-S313 PolarHBondContact O-N 3.44Å; S313-F316 PolarHBondContact O-N 2.86Å; S313-L317 WeakPolarHBondContact O-CG 3.3Å; S313-L317 PolarHBondContact O-N 2.88Å; S313-F490 PolarHBondContact OG-O 3.29Å; S313-L494 VanDerWaalsContact OG-CA 3.27Å; S313-L494 WeakPolarHBondContact OG-CA 3.45Å; S313-L494 WeakPolarHBondContact OG-CB 3.31Å; S313-L494 PolarHBondContact OG-N 3.47Å; S313-L494 VanDerWaalsContact OG-N 3.14Å |
| 314 | Q | 95 | Very high | 92.6 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 1% | 0.014 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 174.3 | -69.9 | -178.9 | -28 | 0 | 0 | 112.4 | L254 L257 Y310 L311 L312 F316 L317 I318 M621 | L254-Q314 HydrophobicContact CD2-CG 4.34Å; L257-Q314 HydrophobicContact CD1-CB 3.69Å; Y310-Q314 VanDerWaalsContact CE1-NE2 3.28Å; Y310-Q314 PolarHBondContact O-N 3.07Å; Y310-Q314 PolarHBondContact OH-NE2 3.13Å; L311-Q314 PolarHBondContact O-N 3.46Å; L312-Q314 VanDerWaalsContact C-N 3.32Å; L312-Q314 PolarHBondContact O-N 2.78Å; Q314-F316 PolarHBondContact O-N 2.79Å; Q314-L317 PolarHBondContact O-N 3.29Å; Q314-I318 HydrophobicContact CB-CD1 4.35Å; Q314-I318 WeakPolarHBondContact O-CB 3.34Å; Q314-I318 WeakPolarHBondContact O-CG1 3.37Å; Q314-I318 PolarHBondContact O-N 2.92Å; Q314-M621 HydrophobicContact CG-CE 3.7Å; Q314-M621 PolarHBondContact NE2-O 2.78Å |
| 315 | V | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.9 | -45.8 | 175.5 | 165.2 | 0 | 0 | 0 | 0 | 111.5 | L257 F284 Y288 L311 L312 I319 L328 | L257-V315 HydrophobicContact CD1-CG2 4.41Å; L257-V315 HydrophobicContact CD2-CG2 3.87Å; F284-V315 HydrophobicContact CD1-CG2 4.35Å; F284-V315 HydrophobicContact CD2-CG1 4.48Å; F284-V315 HydrophobicContact CE1-CG2 3.7Å; F284-V315 HydrophobicContact CE2-CG1 3.95Å; F284-V315 HydrophobicContact CE2-CG2 4.4Å; F284-V315 HydrophobicContact CZ-CG1 4.07Å; F284-V315 HydrophobicContact CZ-CG2 3.73Å; Y288-V315 HydrophobicContact CE2-CG2 4.19Å; L311-V315 WeakPolarHBondContact O-CG2 3.39Å; L311-V315 PolarHBondContact O-N 3.2Å; L312-V315 PolarHBondContact O-N 3.49Å; V315-I319 HydrophobicContact CG1-CD1 4.27Å; V315-I319 WeakPolarHBondContact O-CB 3.21Å; V315-I319 PolarHBondContact O-N 3.34Å; V315-L328 HydrophobicContact CG1-CD2 3.68Å |
| 316 | F | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -71.8 | -31 | 178.5 | -75.6 | -71 | 0 | 0 | 0 | 113.8 | L312 S313 Q314 V325 L328 A329 I332 L494 A497 I498 S501 V504 | L312-F316 VanDerWaalsContact O-CD2 3.23Å; L312-F316 WeakPolarHBondContact O-CD2 3.33Å; L312-F316 PolarHBondContact O-N 3.22Å; S313-F316 PolarHBondContact O-N 2.86Å; Q314-F316 PolarHBondContact O-N 2.79Å; F316-V325 HydrophobicContact CD1-CB 4.16Å; F316-V325 HydrophobicContact CD1-CG1 4.45Å; F316-V325 HydrophobicContact CE1-CB 4Å; F316-V325 WeakPolarHBondContact CE1-O 3.48Å; F316-L328 HydrophobicContact CE2-CD2 4.07Å; F316-L328 HydrophobicContact CE2-CG 4.25Å; F316-L328 HydrophobicContact CZ-CB 4.16Å; F316-L328 HydrophobicContact CZ-CD2 3.95Å; F316-L328 HydrophobicContact CZ-CG 3.86Å; F316-A329 HydrophobicContact CE1-CB 3.92Å; F316-A329 HydrophobicContact CZ-CB 3.9Å; F316-I332 HydrophobicContact CE2-CD1 3.93Å; F316-I332 HydrophobicContact CZ-CD1 4.24Å; F316-L494 HydrophobicContact CD2-CD1 3.62Å; F316-L494 HydrophobicContact CE2-CD1 3.94Å; F316-A497 HydrophobicContact CB-CB 3.7Å; F316-I498 HydrophobicContact CB-CG1 4.43Å; F316-I498 HydrophobicContact CD1-CG1 3.94Å; F316-I498 HydrophobicContact CD2-CD1 4.26Å; F316-I498 HydrophobicContact CD2-CG1 3.72Å; F316-I498 HydrophobicContact CE1-CG1 4.09Å; F316-I498 HydrophobicContact CE2-CD1 4.05Å; F316-I498 HydrophobicContact CE2-CG1 3.88Å; F316-I498 HydrophobicContact CG-CG1 3.77Å; F316-I498 HydrophobicContact CZ-CD1 4.34Å; F316-I498 HydrophobicContact CZ-CG1 4.07Å; F316-S501 WeakPolarHBondContact O-CB 3.46Å; F316-V504 HydrophobicContact CD1-CG2 4.17Å; F316-V504 HydrophobicContact CE1-CG2 4.14Å |
| 317 | L | 92.9 | Very high | 92.7 | Very high | 25 Ų | 25 | 18.5 Ų | 18.5 | 13% | 0.131 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -72.1 | -37.9 | 174.2 | -71.4 | 173.8 | 0 | 0 | 0 | 112.7 | S313 Q314 H320 Y496 A497 E618 M621 | S313-L317 WeakPolarHBondContact O-CG 3.3Å; S313-L317 PolarHBondContact O-N 2.88Å; Q314-L317 PolarHBondContact O-N 3.29Å; L317-H320 PolarHBondContact O-CE1 3.48Å; L317-H320 VanDerWaalsContact O-CE1 3.32Å; L317-Y496 HydrophobicContact CD2-CD1 4.43Å; L317-Y496 HydrophobicContact CD2-CE1 4.4Å; L317-A497 HydrophobicContact CD2-CB 3.9Å; L317-A497 HydrophobicContact CG-CB 3.73Å; L317-E618 HydrophobicContact CD2-CG 4.4Å; L317-M621 HydrophobicContact CD1-CB 3.97Å; L317-M621 HydrophobicContact CD1-CG 3.78Å |
| 318 | I | 94.2 | Very high | 92.6 | Very high | 19 Ų | 19 | 18.5 Ų | 18.5 | 10% | 0.097 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -97.9 | -39.2 | -169 | -63.8 | 167.3 | 0 | 0 | 0 | 112.7 | L254 L257 N261 Q314 | L254-I318 HydrophobicContact CD2-CD1 3.47Å; L254-I318 VanDerWaalsContact CD2-CD1 3.47Å; L257-I318 HydrophobicContact CB-CB 4.43Å; L257-I318 HydrophobicContact CB-CD1 4.09Å; L257-I318 HydrophobicContact CB-CG2 3.98Å; L257-I318 HydrophobicContact CD1-CD1 3.96Å; N261-I318 HydrophobicContact CB-CG2 4.46Å; N261-I318 PolarHBondContact ND2-O 3.45Å; N261-I318 PolarHBondContact OD1-O 3.34Å; Q314-I318 HydrophobicContact CB-CD1 4.35Å; Q314-I318 WeakPolarHBondContact O-CB 3.34Å; Q314-I318 WeakPolarHBondContact O-CG1 3.37Å; Q314-I318 PolarHBondContact O-N 2.92Å |
| 319 | I | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -89 | 126 | -176.3 | -56.7 | -171.6 | 0 | 0 | 0 | 109.5 | L257 N261 L264 F284 V315 L324 V325 | L257-I319 HydrophobicContact CD2-CD1 4.43Å; N261-I319 HydrophobicContact CB-CG1 4.46Å; N261-I319 WeakPolarHBondContact OD1-CA 3.42Å; L264-I319 HydrophobicContact CD1-CG2 3.93Å; F284-I319 HydrophobicContact CE2-CD1 4.33Å; F284-I319 HydrophobicContact CZ-CD1 4Å; V315-I319 HydrophobicContact CG1-CD1 4.27Å; V315-I319 WeakPolarHBondContact O-CB 3.21Å; V315-I319 PolarHBondContact O-N 3.34Å; I319-L324 HydrophobicContact CD1-CD2 4.44Å; I319-L324 HydrophobicContact CG2-CD2 4.02Å; I319-V325 HydrophobicContact CB-CG1 4.28Å; I319-V325 HydrophobicContact CG2-CG1 4.1Å | ||
| 320 | H | 89.8 | Confident | 91.9 | Very high | 70 Ų | 70 | 21.8 Ų | 21.8 | 32% | 0.324 | 12% | 0.117 | S | C | . | . | trans | -110.1 | -1.8 | -177.9 | -62.9 | -11 | 0 | 0 | 0 | 113.9 | N261 L317 Q322 G503 | N261-H320 PolarHBondContact OD1-N 3.32Å; N261-H320 VanDerWaalsContact OD1-N 3.08Å; L317-H320 PolarHBondContact O-CE1 3.48Å; L317-H320 VanDerWaalsContact O-CE1 3.32Å; H320-Q322 PolarHBondContact O-N 2.86Å; H320-G503 VanDerWaalsContact O-CA 3.27Å; H320-G503 WeakPolarHBondContact O-CA 3.37Å | ||
| 321 | Y | 92.3 | Very high | 91.4 | Very high | 38 Ų | 38 | 22.8 Ų | 22.8 | 15% | 0.149 | 12% | 0.123 | C | C | . | . | trans | -72.4 | 110.1 | -177.2 | -175.3 | -115.5 | 0 | 0 | 0 | 112.3 | L264 N272 P323 L324 V325 | L264-Y321 HydrophobicContact CB-CD2 4.47Å; L264-Y321 HydrophobicContact CB-CG 4.05Å; L264-Y321 HydrophobicContact CD1-CD1 4.45Å; L264-Y321 HydrophobicContact CD1-CG 4.47Å; L264-Y321 HydrophobicContact CD2-CD1 3.81Å; L264-Y321 HydrophobicContact CD2-CE1 4.24Å; L264-Y321 HydrophobicContact CD2-CG 4.16Å; L264-Y321 HydrophobicContact CG-CD1 4.5Å; L264-Y321 HydrophobicContact CG-CG 4.45Å; N272-Y321 HydrophobicContact CB-CE1 3.95Å; N272-Y321 HydrophobicContact CB-CE2 4.34Å; N272-Y321 VanDerWaalsContact ND2-CE2 3.34Å; N272-Y321 WeakPolarHBondContact ND2-CE2 3.42Å; Y321-P323 HydrophobicContact CD1-CG 4.47Å; Y321-P323 HydrophobicContact CE1-CB 3.99Å; Y321-P323 HydrophobicContact CE1-CG 3.83Å; Y321-P323 HydrophobicContact CE2-CG 4.3Å; Y321-L324 HydrophobicContact CD1-CB 3.86Å; Y321-L324 PolarHBondContact O-N 2.95Å; Y321-V325 PolarHBondContact O-N 3.26Å | ||
| 322 | Q | 90.6 | Very high | 90.9 | Very high | 104 Ų | 104 | 22.8 Ų | 22.8 | 49% | 0.486 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -56.4 | -47.8 | -165.1 | -51.9 | -172.5 | -44 | 0 | 0 | 114.8 | H320 L324 V325 N326 G503 | H320-Q322 PolarHBondContact O-N 2.86Å; Q322-L324 VanDerWaalsContact C-N 3.29Å; Q322-L324 PolarHBondContact O-N 3.09Å; Q322-V325 PolarHBondContact O-N 3.39Å; Q322-N326 VanDerWaalsContact O-CB 3.28Å; Q322-N326 WeakPolarHBondContact O-CB 3.25Å; Q322-N326 PolarHBondContact O-N 2.84Å; Q322-N326 PolarHBondContact O-ND2 3.48Å; Q322-G503 VanDerWaalsContact CA-O 3.27Å; Q322-G503 WeakPolarHBondContact CA-O 3.27Å; Q322-G503 WeakPolarHBondContact CB-O 3.24Å; Q322-G503 WeakPolarHBondContact CG-O 3.39Å |
| 323 | P | 90.4 | Very high | 90 | Very high | 69 Ų | 69 | 23 Ų | 23 | 45% | 0.448 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -59.7 | -38.5 | -177.2 | -26.1 | 36.8 | 0 | 0 | 0 | 113.3 | Y321 A327 | Y321-P323 HydrophobicContact CD1-CG 4.47Å; Y321-P323 HydrophobicContact CE1-CB 3.99Å; Y321-P323 HydrophobicContact CE1-CG 3.83Å; Y321-P323 HydrophobicContact CE2-CG 4.3Å; P323-A327 VanDerWaalsContact O-CB 3.26Å; P323-A327 WeakPolarHBondContact O-CB 3.45Å; P323-A327 PolarHBondContact O-N 2.92Å |
| 324 | L | 91.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -70.4 | -48.6 | -179.3 | 172.4 | 58.4 | 0 | 0 | 0 | 112.1 | L264 T276 L279 L280 F284 I319 Y321 Q322 L328 | L264-L324 HydrophobicContact CD1-CD2 3.67Å; T276-L324 HydrophobicContact CG2-CB 4.11Å; T276-L324 HydrophobicContact CG2-CD1 4.07Å; L279-L324 HydrophobicContact CB-CD1 4.25Å; L279-L324 HydrophobicContact CD1-CD2 3.71Å; L280-L324 HydrophobicContact CD1-CD1 4.24Å; L280-L324 HydrophobicContact CD2-CD1 3.79Å; L280-L324 HydrophobicContact CG-CD1 3.66Å; F284-L324 HydrophobicContact CD2-CD1 4.09Å; F284-L324 HydrophobicContact CE2-CD1 4.02Å; F284-L324 HydrophobicContact CE2-CD2 4.27Å; F284-L324 HydrophobicContact CE2-CG 4.4Å; I319-L324 HydrophobicContact CD1-CD2 4.44Å; I319-L324 HydrophobicContact CG2-CD2 4.02Å; Y321-L324 HydrophobicContact CD1-CB 3.86Å; Y321-L324 PolarHBondContact O-N 2.95Å; Q322-L324 VanDerWaalsContact C-N 3.29Å; Q322-L324 PolarHBondContact O-N 3.09Å; L324-L328 WeakPolarHBondContact O-CB 3.1Å; L324-L328 PolarHBondContact O-N 2.7Å; L324-L328 VanDerWaalsContact O-N 3.08Å |
| 325 | V | 91.4 | Very high | 88 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -73.8 | -34.1 | -177.8 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | F316 I319 Y321 Q322 L328 A329 G503 V504 | F316-V325 HydrophobicContact CD1-CB 4.16Å; F316-V325 HydrophobicContact CD1-CG1 4.45Å; F316-V325 HydrophobicContact CE1-CB 4Å; F316-V325 WeakPolarHBondContact CE1-O 3.48Å; I319-V325 HydrophobicContact CB-CG1 4.28Å; I319-V325 HydrophobicContact CG2-CG1 4.1Å; Y321-V325 PolarHBondContact O-N 3.26Å; Q322-V325 PolarHBondContact O-N 3.39Å; V325-L328 PolarHBondContact O-N 2.8Å; V325-A329 WeakPolarHBondContact O-CB 3.4Å; V325-A329 PolarHBondContact O-N 3.44Å; V325-G503 WeakPolarHBondContact CG2-O 3.14Å; V325-V504 HydrophobicContact CB-CG2 4.11Å; V325-V504 HydrophobicContact CG2-CG2 3.78Å |
| 326 | N | 89 | Confident | 87.1 | Confident | 21 Ų | 21 | 27.4 Ų | 27.4 | 11% | 0.112 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.4 | -45.2 | 174 | -76.7 | -59.6 | 0 | 0 | 0 | 111.9 | Q322 L328 A329 D330 G503 N505 L508 | Q322-N326 VanDerWaalsContact O-CB 3.28Å; Q322-N326 WeakPolarHBondContact O-CB 3.25Å; Q322-N326 PolarHBondContact O-N 2.84Å; Q322-N326 PolarHBondContact O-ND2 3.48Å; N326-L328 VanDerWaalsContact C-N 3.3Å; N326-L328 PolarHBondContact O-N 3.42Å; N326-A329 PolarHBondContact O-N 3.47Å; N326-D330 WeakPolarHBondContact O-CB 3.24Å; N326-D330 PolarHBondContact O-N 3.32Å; N326-G503 PolarHBondContact ND2-O 2.77Å; N326-N505 VanDerWaalsContact ND2-CG 3.26Å; N326-N505 PolarHBondContact ND2-OD1 2.94Å; N326-N505 WeakPolarHBondContact OD1-CB 3.27Å; N326-N505 PolarHBondContact OD1-N 3.49Å; N326-L508 HydrophobicContact CB-CD2 4.44Å |
| 327 | A | 88.8 | Confident | 86 | Confident | 38 Ų | 38 | 30.7 Ų | 30.7 | 31% | 0.314 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.9 | -36.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L280 P323 V331 | L280-A327 HydrophobicContact CD1-CB 3.83Å; P323-A327 VanDerWaalsContact O-CB 3.26Å; P323-A327 WeakPolarHBondContact O-CB 3.45Å; P323-A327 PolarHBondContact O-N 2.92Å; A327-V331 WeakPolarHBondContact O-CG2 3.46Å; A327-V331 PolarHBondContact O-N 3.32Å |
| 328 | L | 90.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.2 | -45.3 | 175.5 | -175.7 | 59.6 | 0 | 0 | 0 | 112.1 | L280 F284 L285 V289 L312 V315 F316 L324 V325 N326 V331 I332 | L280-L328 HydrophobicContact CD2-CB 4.15Å; L280-L328 HydrophobicContact CD2-CD1 4.43Å; F284-L328 HydrophobicContact CB-CD1 3.96Å; F284-L328 HydrophobicContact CB-CD2 4.48Å; F284-L328 HydrophobicContact CD2-CD2 4.06Å; F284-L328 HydrophobicContact CG-CD2 4.47Å; L285-L328 HydrophobicContact CD2-CD1 3.81Å; V289-L328 HydrophobicContact CG2-CD1 3.75Å; L312-L328 HydrophobicContact CD2-CD1 4.25Å; L312-L328 HydrophobicContact CD2-CD2 4.07Å; L312-L328 HydrophobicContact CD2-CG 4.5Å; V315-L328 HydrophobicContact CG1-CD2 3.68Å; F316-L328 HydrophobicContact CE2-CD2 4.07Å; F316-L328 HydrophobicContact CE2-CG 4.25Å; F316-L328 HydrophobicContact CZ-CB 4.16Å; F316-L328 HydrophobicContact CZ-CD2 3.95Å; F316-L328 HydrophobicContact CZ-CG 3.86Å; L324-L328 WeakPolarHBondContact O-CB 3.1Å; L324-L328 PolarHBondContact O-N 2.7Å; L324-L328 VanDerWaalsContact O-N 3.08Å; V325-L328 PolarHBondContact O-N 2.8Å; N326-L328 VanDerWaalsContact C-N 3.3Å; N326-L328 PolarHBondContact O-N 3.42Å; L328-V331 PolarHBondContact O-N 2.98Å; L328-I332 HydrophobicContact CD1-CD1 3.93Å; L328-I332 HydrophobicContact CD1-CG1 4.45Å; L328-I332 HydrophobicContact CG-CD1 3.84Å; L328-I332 WeakPolarHBondContact O-CD1 3.34Å; L328-I332 VanDerWaalsContact O-CG1 3.28Å; L328-I332 WeakPolarHBondContact O-CG1 3.42Å; L328-I332 PolarHBondContact O-N 3.02Å |
| 329 | A | 87.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65 | -41.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | F316 V325 N326 V331 I332 L333 L508 | F316-A329 HydrophobicContact CE1-CB 3.92Å; F316-A329 HydrophobicContact CZ-CB 3.9Å; V325-A329 WeakPolarHBondContact O-CB 3.4Å; V325-A329 PolarHBondContact O-N 3.44Å; N326-A329 PolarHBondContact O-N 3.47Å; A329-V331 PolarHBondContact O-N 3.42Å; A329-I332 PolarHBondContact O-N 2.89Å; A329-L333 WeakPolarHBondContact O-CB 3.25Å; A329-L333 WeakPolarHBondContact O-CD1 3.44Å; A329-L333 VanDerWaalsContact O-CG 3.3Å; A329-L333 WeakPolarHBondContact O-CG 3.49Å; A329-L333 PolarHBondContact O-N 2.94Å; A329-L333 VanDerWaalsContact O-N 3.15Å; A329-L508 HydrophobicContact CB-CD2 3.76Å |
| 330 | D | 84.9 | Confident | 82.2 | Confident | 70 Ų | 70 | 33.6 Ų | 33.6 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62 | -42.2 | 176.7 | -170 | 61.4 | 0 | 0 | 0 | 111.6 | N326 I332 L333 N334 G335 | N326-D330 WeakPolarHBondContact O-CB 3.24Å; N326-D330 PolarHBondContact O-N 3.32Å; D330-I332 PolarHBondContact O-N 2.97Å; D330-L333 PolarHBondContact O-N 3.23Å; D330-N334 WeakPolarHBondContact O-CA 3.36Å; D330-N334 WeakPolarHBondContact O-CB 3.38Å; D330-N334 PolarHBondContact O-N 2.71Å; D330-N334 PolarHBondContact OD1-ND2 2.94Å; D330-G335 PolarHBondContact O-N 2.73Å |
| 331 | V | 85.4 | Confident | 80.6 | Confident | 20 Ų | 20 | 33.3 Ų | 33.3 | 12% | 0.121 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.2 | -38 | 175.9 | 173.4 | 0 | 0 | 0 | 0 | 112.7 | L285 V289 A327 L328 A329 L333 G335 V339 | L285-V331 HydrophobicContact CD1-CG2 4.5Å; L285-V331 HydrophobicContact CD2-CB 4.08Å; L285-V331 HydrophobicContact CD2-CG1 3.68Å; L285-V331 HydrophobicContact CD2-CG2 4.48Å; V289-V331 HydrophobicContact CG1-CG1 4.42Å; A327-V331 WeakPolarHBondContact O-CG2 3.46Å; A327-V331 PolarHBondContact O-N 3.32Å; L328-V331 PolarHBondContact O-N 2.98Å; A329-V331 PolarHBondContact O-N 3.42Å; V331-L333 VanDerWaalsContact C-N 3.27Å; V331-L333 PolarHBondContact O-N 3.38Å; V331-G335 VanDerWaalsContact O-CA 3.25Å; V331-G335 WeakPolarHBondContact O-CA 3.4Å; V331-G335 PolarHBondContact O-N 3.43Å; V331-V339 HydrophobicContact CG1-CB 4.45Å; V331-V339 HydrophobicContact CG1-CG1 3.81Å; V331-V339 HydrophobicContact CG1-CG2 4.48Å; V331-V339 HydrophobicContact CG2-CG1 4.05Å |
| 332 | I | 83.2 | Confident | 78.2 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.5 | -24.4 | 179.5 | -69.1 | 166 | 0 | 0 | 0 | 112.2 | V289 L312 F316 L328 A329 D330 F471 | V289-I332 HydrophobicContact CB-CG1 4.49Å; V289-I332 HydrophobicContact CG1-CG1 4.02Å; V289-I332 HydrophobicContact CG2-CD1 3.89Å; V289-I332 HydrophobicContact CG2-CG1 3.6Å; L312-I332 HydrophobicContact CD1-CD1 4.21Å; L312-I332 HydrophobicContact CD2-CD1 4.01Å; F316-I332 HydrophobicContact CE2-CD1 3.93Å; F316-I332 HydrophobicContact CZ-CD1 4.24Å; L328-I332 HydrophobicContact CD1-CD1 3.93Å; L328-I332 HydrophobicContact CD1-CG1 4.45Å; L328-I332 HydrophobicContact CG-CD1 3.84Å; L328-I332 WeakPolarHBondContact O-CD1 3.34Å; L328-I332 VanDerWaalsContact O-CG1 3.28Å; L328-I332 WeakPolarHBondContact O-CG1 3.42Å; L328-I332 PolarHBondContact O-N 3.02Å; A329-I332 PolarHBondContact O-N 2.89Å; D330-I332 PolarHBondContact O-N 2.97Å; I332-F471 WeakPolarHBondContact O-CB 3.45Å |
| 333 | L | 76.1 | Confident | 75.5 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -122.3 | -28.9 | -165.1 | -56.4 | 168.3 | 0 | 0 | 0 | 114 | A329 D330 V331 R469 L472 I498 L512 | A329-L333 WeakPolarHBondContact O-CB 3.25Å; A329-L333 WeakPolarHBondContact O-CD1 3.44Å; A329-L333 VanDerWaalsContact O-CG 3.3Å; A329-L333 WeakPolarHBondContact O-CG 3.49Å; A329-L333 PolarHBondContact O-N 2.94Å; A329-L333 VanDerWaalsContact O-N 3.15Å; D330-L333 PolarHBondContact O-N 3.23Å; V331-L333 VanDerWaalsContact C-N 3.27Å; V331-L333 PolarHBondContact O-N 3.38Å; L333-R469 PolarHBondContact O-NH1 3Å; L333-L472 HydrophobicContact CD2-CD1 3.81Å; L333-I498 HydrophobicContact CD1-CD1 4.38Å; L333-L512 HydrophobicContact CB-CD2 3.48Å; L333-L512 VanDerWaalsContact CB-CD2 3.48Å; L333-L512 HydrophobicContact CD1-CD1 3.38Å; L333-L512 HydrophobicContact CD1-CD2 3.62Å; L333-L512 HydrophobicContact CD1-CG 4.11Å; L333-L512 HydrophobicContact CG-CD2 4.08Å |
| 334 | N | 75.3 | Confident | 72.7 | Confident | 40 Ų | 40 | 39.9 Ų | 39.9 | 21% | 0.214 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -113.8 | -12.7 | 173.5 | -63.4 | -52.4 | 0 | 0 | 0 | 113.2 | D330 R469 | D330-N334 WeakPolarHBondContact O-CA 3.36Å; D330-N334 WeakPolarHBondContact O-CB 3.38Å; D330-N334 PolarHBondContact O-N 2.71Å; D330-N334 PolarHBondContact OD1-ND2 2.94Å; N334-R469 PolarHBondContact OD1-NH1 3.32Å; N334-R469 PolarHBondContact OD1-NH2 3Å |
| 335 | G | 73.5 | Confident | 69.8 | Low | 8 Ų | 8 | 46.9 Ų | 46.9 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | trans | -76.2 | 154.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D330 V331 | D330-G335 PolarHBondContact O-N 2.73Å; V331-G335 VanDerWaalsContact O-CA 3.25Å; V331-G335 WeakPolarHBondContact O-CA 3.4Å; V331-G335 PolarHBondContact O-N 3.43Å | ||
| 336 | D | 74.8 | Confident | 67.1 | Low | 48 Ų | 48 | 53 Ų | 53 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | trans | -121.2 | 169.1 | 176.3 | 169 | 63.9 | 0 | 0 | 0 | 110 | S338 V339 S468 | D336-S338 PolarHBondContact O-N 3.05Å; D336-S338 VanDerWaalsContact O-N 3.07Å; D336-S338 WeakPolarHBondContact OD2-CB 3.31Å; D336-S338 PolarHBondContact OD2-N 2.84Å; D336-S338 VanDerWaalsContact OD2-N 3.07Å; D336-S338 PolarHBondContact OD2-OG 3.13Å; D336-V339 WeakPolarHBondContact O-CB 3.42Å; D336-V339 VanDerWaalsContact O-CG2 3.31Å; D336-V339 WeakPolarHBondContact O-CG2 3.33Å; D336-V339 PolarHBondContact O-N 2.84Å; D336-S468 WeakPolarHBondContact OD1-CB 3.2Å; D336-S468 PolarHBondContact OD1-OG 2.91Å | ||
| 337 | L | 71.3 | Confident | 64.4 | Low | 68 Ų | 68 | 60.5 Ų | 60.5 | 36% | 0.356 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -58.4 | -21.4 | 178.6 | -70.9 | 170 | 0 | 0 | 0 | 113.6 | V293 V339 F340 P470 F471 | V293-L337 HydrophobicContact CG1-CD2 4.15Å; L337-V339 PolarHBondContact O-N 3.2Å; L337-F340 WeakPolarHBondContact O-CD2 3.38Å; L337-F340 PolarHBondContact O-N 3Å; L337-P470 HydrophobicContact CG-CG 4.11Å; L337-F471 HydrophobicContact CD2-CZ 4.09Å |
| 338 | S | 67.8 | Low | 61.5 | Low | 66 Ų | 66 | 63.5 Ų | 63.5 | 46% | 0.462 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -56.7 | -23.2 | 169.4 | 47.8 | 0 | 0 | 0 | 0 | 114.7 | D336 F340 S341 | D336-S338 PolarHBondContact O-N 3.05Å; D336-S338 VanDerWaalsContact O-N 3.07Å; D336-S338 WeakPolarHBondContact OD2-CB 3.31Å; D336-S338 PolarHBondContact OD2-N 2.84Å; D336-S338 VanDerWaalsContact OD2-N 3.07Å; D336-S338 PolarHBondContact OD2-OG 3.13Å; S338-F340 PolarHBondContact O-N 2.94Å; S338-F340 VanDerWaalsContact O-N 3.13Å; S338-S341 CarbonylContact O-C 3.57Å; S338-S341 PolarHBondContact O-N 2.88Å; S338-S341 VanDerWaalsContact O-O 3.06Å; S338-S341 PolarHBondContact O-OG 2.78Å |
| 339 | V | 65.9 | Low | 58.6 | Low | 34 Ų | 34 | 70 Ų | 70 | 21% | 0.206 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -61.3 | -21.7 | 175.9 | 175.7 | 0 | 0 | 0 | 0 | 112.7 | L285 V331 D336 L337 R361 | L285-V339 HydrophobicContact CD1-CG1 4.35Å; V331-V339 HydrophobicContact CG1-CB 4.45Å; V331-V339 HydrophobicContact CG1-CG1 3.81Å; V331-V339 HydrophobicContact CG1-CG2 4.48Å; V331-V339 HydrophobicContact CG2-CG1 4.05Å; D336-V339 WeakPolarHBondContact O-CB 3.42Å; D336-V339 VanDerWaalsContact O-CG2 3.31Å; D336-V339 WeakPolarHBondContact O-CG2 3.33Å; D336-V339 PolarHBondContact O-N 2.84Å; L337-V339 PolarHBondContact O-N 3.2Å; V339-R361 WeakPolarHBondContact O-CD 3.48Å; V339-R361 PolarHBondContact O-NE 2.92Å; V339-R361 PolarHBondContact O-NH1 2.93Å |
| 340 | F | 66.4 | Low | 56 | Low | 5 Ų | 5 | 78.4 Ų | 78.4 | 2% | 0.022 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -88.5 | -15.9 | 179.5 | -60.5 | -86.9 | 0 | 0 | 0 | 112.8 | L285 V289 Y290 L337 S338 V360 R361 F471 | L285-F340 HydrophobicContact CB-CE1 4Å; L285-F340 HydrophobicContact CB-CZ 4.45Å; L285-F340 WeakPolarHBondContact O-CE1 3.44Å; V289-F340 HydrophobicContact CG1-CZ 4.33Å; Y290-F340 AromaticContact CD2-CD1 3.77Å; Y290-F340 HydrophobicContact CD2-CD1 3.77Å; Y290-F340 HydrophobicContact CD2-CD2 4.18Å; Y290-F340 AromaticContact CD2-CE1 3.96Å; Y290-F340 HydrophobicContact CD2-CE1 3.96Å; Y290-F340 HydrophobicContact CD2-CE2 4.38Å; Y290-F340 AromaticContact CD2-CG 3.9Å; Y290-F340 HydrophobicContact CD2-CG 3.9Å; Y290-F340 HydrophobicContact CD2-CZ 4.26Å; Y290-F340 HydrophobicContact CE2-CG 4.41Å; Y290-F340 HydrophobicContact CG-CD1 4.32Å; Y290-F340 HydrophobicContact CG-CE1 4.25Å; L337-F340 WeakPolarHBondContact O-CD2 3.38Å; L337-F340 PolarHBondContact O-N 3Å; S338-F340 PolarHBondContact O-N 2.94Å; S338-F340 VanDerWaalsContact O-N 3.13Å; F340-V360 HydrophobicContact CB-CG1 4.38Å; F340-V360 CarbonylContact O-C 3.44Å; F340-V360 WeakPolarHBondContact O-CA 3.42Å; F340-V360 WeakPolarHBondContact O-CG1 3.38Å; F340-R361 HydrophobicContact CD1-CB 4.44Å; F340-R361 PolarHBondContact O-N 2.85Å; F340-F471 HydrophobicContact CE2-CE1 4.5Å; F340-F471 HydrophobicContact CE2-CE2 4.06Å; F340-F471 AromaticContact CE2-CZ 3.55Å; F340-F471 HydrophobicContact CE2-CZ 3.55Å; F340-F471 HydrophobicContact CZ-CZ 4.1Å |
| 341 | S | 55.8 | Low | 53.5 | Low | 65 Ų | 65 | 84.9 Ų | 84.9 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -105.8 | 100.2 | 175.3 | 54.1 | 0 | 0 | 0 | 0 | 110.9 | S338 Q343 | S338-S341 CarbonylContact O-C 3.57Å; S338-S341 PolarHBondContact O-N 2.88Å; S338-S341 VanDerWaalsContact O-O 3.06Å; S338-S341 PolarHBondContact O-OG 2.78Å; S341-Q343 PolarHBondContact O-N 2.91Å |
| 342 | C | 42.4 | Very low | 50.7 | Low | 83 Ų | 83 | 91.1 Ų | 91.1 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | trans | -64.4 | 119.5 | 177 | -65.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 343 | Q | 33.5 | Very low | 48.2 | Very low | 159 Ų | 159 | 96.7 Ų | 96.7 | 74% | 0.743 | 54% | 0.536 | S | S | * | . | trans | -67.8 | 151.8 | 158.8 | -74 | -81.3 | -11.3 | 0 | 0 | 109.8 | S341 D345 | S341-Q343 PolarHBondContact O-N 2.91Å; Q343-D345 PolarHBondContact O-N 3.27Å | ||
| 344 | P | 32.3 | Very low | 46.1 | Very low | 106 Ų | 106 | 104.7 Ų | 104.7 | 69% | 0.688 | 57% | 0.573 | S | S | * | * | trans | -84.5 | 99.4 | 173.9 | 32.5 | -31.3 | 0 | 0 | 0 | 111 | V346 | P344-V346 PolarHBondContact O-N 3.2Š| ||
| 345 | D | 31 | Very low | 44.1 | Very low | 149 Ų | 149 | 107.5 Ų | 107.5 | 80% | 0.797 | 60% | 0.602 | S | S | * | * | trans | -64.7 | 127.8 | 176.8 | -81.2 | -51.5 | 0 | 0 | 0 | 112.7 | Q343 H347 | Q343-D345 PolarHBondContact O-N 3.27Å; D345-H347 VanDerWaalsContact C-N 3.33Å; D345-H347 PolarHBondContact O-N 2.77Å | ||
| 346 | V | 34.1 | Very low | 42 | Very low | 128 Ų | 128 | 111.8 Ų | 111.8 | 78% | 0.776 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -82.1 | -9.3 | -170.7 | 176.8 | 0 | 0 | 0 | 0 | 113.1 | P344 | P344-V346 PolarHBondContact O-N 3.2Š|
| 347 | H | 32.3 | Very low | 39.8 | Very low | 179 Ų | 179 | 113.9 Ų | 113.9 | 83% | 0.829 | 66% | 0.66 | S | S | * | * | trans | -123.9 | 66.5 | -170.7 | -76.3 | 88.4 | 0 | 0 | 0 | 114.6 | D345 | D345-H347 VanDerWaalsContact C-N 3.33Å; D345-H347 PolarHBondContact O-N 2.77Å | ||
| 348 | S | 28.7 | Very low | 38 | Very low | 101 Ų | 101 | 115.4 Ų | 115.4 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | -149.7 | 107.1 | 152.9 | 59.5 | 0 | 0 | 0 | 0 | 112.8 | H350 | S348-H350 VanDerWaalsContact C-N 3.31Å; S348-H350 PolarHBondContact O-N 3.27Å; S348-H350 VanDerWaalsContact O-N 3.16Å | ||
| 349 | T | 28.9 | Very low | 36.8 | Very low | 137 Ų | 137 | 114.8 Ų | 114.8 | 84% | 0.84 | 70% | 0.696 | S | S | * | * | trans | -89.4 | 45.2 | -174.9 | 48.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 350 | H | 32.4 | Very low | 36.3 | Very low | 175 Ų | 175 | 117 Ų | 117 | 81% | 0.81 | 71% | 0.71 | S | S | * | * | trans | -122.2 | 104.4 | 173.3 | -77.9 | -81 | 0 | 0 | 0 | 112.1 | S348 N352 | S348-H350 VanDerWaalsContact C-N 3.31Å; S348-H350 PolarHBondContact O-N 3.27Å; S348-H350 VanDerWaalsContact O-N 3.16Å; H350-N352 PolarHBondContact O-N 2.93Å; H350-N352 VanDerWaalsContact O-N 3.09Å | ||
| 351 | K | 32.5 | Very low | 36.5 | Very low | 206 Ų | 206 | 120.2 Ų | 120.2 | 90% | 0.896 | 72% | 0.722 | S | S | * | * | trans | -70.9 | 99.8 | -177 | -67.9 | 178.5 | 178.9 | 176.1 | 0 | 111.7 | ||||
| 352 | N | 26.1 | Very low | 37.2 | Very low | 152 Ų | 152 | 123 Ų | 123 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | trans | -108.8 | 102 | 166.3 | -141.1 | -8.2 | 0 | 0 | 0 | 110.3 | H350 H354 | H350-N352 PolarHBondContact O-N 2.93Å; H350-N352 VanDerWaalsContact O-N 3.09Å; N352-H354 VanDerWaalsContact C-N 3.27Å; N352-H354 PolarHBondContact O-N 2.99Å | ||
| 353 | T | 31.9 | Very low | 39.2 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 71% | 0.712 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 56.7 | -158.9 | -41.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 354 | H | 31.2 | Very low | 41.4 | Very low | 173 Ų | 173 | 117 Ų | 117 | 80% | 0.801 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.2 | -6.5 | 169.1 | -89.8 | -70 | 0 | 0 | 0 | 115.2 | N352 | N352-H354 VanDerWaalsContact C-N 3.27Å; N352-H354 PolarHBondContact O-N 2.99Å |
| 355 | A | 32.4 | Very low | 43.9 | Very low | 100 Ų | 100 | 118.2 Ų | 118.2 | 83% | 0.826 | 69% | 0.687 | S | S | * | * | trans | -98 | 28.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 356 | A | 31 | Very low | 46.4 | Very low | 98 Ų | 98 | 111.7 Ų | 111.7 | 81% | 0.81 | 65% | 0.652 | S | S | * | * | trans | -110.8 | 64.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 357 | A | 28.3 | Very low | 48.4 | Very low | 92 Ų | 92 | 111.7 Ų | 111.7 | 76% | 0.76 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -149.8 | 119.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | G359 | A357-G359 PolarHBondContact O-N 3.1Š|
| 358 | G | 33.4 | Very low | 50.7 | Low | 100 Ų | 100 | 106.3 Ų | 106.3 | 100% | 1.031 | 63% | 0.63 | S | S | * | * | trans | -71.8 | 93.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 359 | G | 42.1 | Very low | 53.3 | Low | 52 Ų | 52 | 105 Ų | 105 | 54% | 0.536 | 62% | 0.618 | S | S | . | * | trans | -129.2 | 147.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A357 | A357-G359 PolarHBondContact O-N 3.1Š| ||
| 360 | V | 55.7 | Low | 56 | Low | 82 Ų | 82 | 98.8 Ų | 98.8 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | trans | -57.6 | 140.4 | 170.6 | 176 | 0 | 0 | 0 | 0 | 109.9 | F340 R362 | F340-V360 HydrophobicContact CB-CG1 4.38Å; F340-V360 CarbonylContact O-C 3.44Å; F340-V360 WeakPolarHBondContact O-CA 3.42Å; F340-V360 WeakPolarHBondContact O-CG1 3.38Å; V360-R362 WeakPolarHBondContact O-CB 3.31Å; V360-R362 PolarHBondContact O-N 3.45Å; V360-R362 VanDerWaalsContact O-N 3.15Å | ||
| 361 | R | 69.8 | Low | 58.3 | Low | 72 Ų | 72 | 95.2 Ų | 95.2 | 27% | 0.272 | 56% | 0.563 | S | S | . | * | trans | -58.1 | 117.3 | 174 | -64 | -174.4 | -176.5 | 179.1 | -1.6 | 109.1 | N281 L285 V339 F340 | N281-R361 PolarHBondContact OD1-NE 3.43Å; N281-R361 PolarHBondContact OD1-NH1 3.17Å; L285-R361 VanDerWaalsContact CD1-NH1 3.27Å; V339-R361 WeakPolarHBondContact O-CD 3.48Å; V339-R361 PolarHBondContact O-NE 2.92Å; V339-R361 PolarHBondContact O-NH1 2.93Å; F340-R361 HydrophobicContact CD1-CB 4.44Å; F340-R361 PolarHBondContact O-N 2.85Å | ||
| 362 | R | 71.8 | Confident | 60.6 | Low | 123 Ų | 123 | 92.1 Ų | 92.1 | 46% | 0.464 | 55% | 0.546 | S | S | . | . | trans | -146.9 | 140 | -164.9 | -174.9 | -172.3 | -73.5 | -141.2 | -19.8 | 111.4 | E300 V360 V364 | E300-R362 IonicContact OE1-CZ 3.21Å; E300-R362 IonicContact OE1-NH1 2.72Å; E300-R362 PolarHBondContact OE1-NH1 3.39Å; E300-R362 IonicContact OE1-NH2 2.73Å; E300-R362 PolarHBondContact OE1-NH2 3.18Å; E300-R362 VanDerWaalsContact OE2-CD 3.27Å; E300-R362 WeakPolarHBondContact OE2-CD 3.5Å; E300-R362 IonicContact OE2-CZ 2.78Å; E300-R362 IonicContact OE2-NE 2.71Å; E300-R362 PolarHBondContact OE2-NE 3.29Å; E300-R362 IonicContact OE2-NH1 2.69Å; E300-R362 PolarHBondContact OE2-NH1 3.41Å; E300-R362 IonicContact OE2-NH2 3.14Å; E300-R362 PolarHBondContact OE2-NH2 2.93Å; V360-R362 WeakPolarHBondContact O-CB 3.31Å; V360-R362 PolarHBondContact O-N 3.45Å; V360-R362 VanDerWaalsContact O-N 3.15Å; R362-V364 HydrophobicContact CB-CG2 3.89Å; R362-V364 VanDerWaalsContact CD-CG2 3.5Å; R362-V364 HydrophobicContact CG-CG2 3.58Å; R362-V364 PolarHBondContact O-N 3.13Å; R362-V364 VanDerWaalsContact O-N 3.07Å | ||
| 363 | F | 83.5 | Confident | 63.3 | Low | 22 Ų | 22 | 86 Ų | 86 | 10% | 0.096 | 52% | 0.515 | C | S | . | . | trans | -74.2 | 94.5 | 173.3 | -174.6 | -95.8 | 0 | 0 | 0 | 110.5 | W221 I228 R282 L283 L287 | W221-F363 AromaticContact CD1-CE1 3.93Å; W221-F363 AromaticContact CD1-CZ 3.67Å; W221-F363 HydrophobicContact CG-CZ 4.49Å; I228-F363 HydrophobicContact CD1-CD1 4.13Å; I228-F363 HydrophobicContact CD1-CE1 3.84Å; R282-F363 VanDerWaalsContact O-CD2 3.24Å; R282-F363 WeakPolarHBondContact O-CD2 3.38Å; L283-F363 HydrophobicContact CD1-CD2 4.49Å; L283-F363 HydrophobicContact CD1-CE2 4.18Å; L287-F363 HydrophobicContact CB-CB 4.38Å; L287-F363 HydrophobicContact CB-CD2 4.19Å; L287-F363 HydrophobicContact CB-CG 4.4Å; L287-F363 HydrophobicContact CD1-CG 4.38Å; L287-F363 HydrophobicContact CD2-CD2 4.03Å; L287-F363 HydrophobicContact CD2-CE2 4.13Å; L287-F363 HydrophobicContact CD2-CG 4.36Å; L287-F363 HydrophobicContact CD2-CZ 4.49Å | ||
| 364 | V | 80 | Confident | 65.7 | Low | 95 Ų | 95 | 80.8 Ų | 80.8 | 58% | 0.576 | 48% | 0.483 | S | S | * | . | trans | -118.3 | 143.1 | -175.9 | -172.9 | 0 | 0 | 0 | 0 | 110.9 | R362 | R362-V364 HydrophobicContact CB-CG2 3.89Å; R362-V364 VanDerWaalsContact CD-CG2 3.5Å; R362-V364 HydrophobicContact CG-CG2 3.58Å; R362-V364 PolarHBondContact O-N 3.13Å; R362-V364 VanDerWaalsContact O-N 3.07Å | ||
| 365 | K | 84.3 | Confident | 67.9 | Low | 131 Ų | 131 | 77.7 Ų | 77.7 | 57% | 0.57 | 47% | 0.469 | S | S | * | . | trans | -64.6 | 136.4 | 173.3 | -174.9 | 176.4 | -178.9 | -179.3 | 0 | 110.6 | W221 | W221-K365 HydrophobicContact CD2-CG 4.05Å; W221-K365 HydrophobicContact CH2-CD 4.15Å; W221-K365 HydrophobicContact CH2-CG 4.44Å; W221-K365 HydrophobicContact CZ2-CB 4.44Å; W221-K365 HydrophobicContact CZ2-CD 3.73Å; W221-K365 HydrophobicContact CZ2-CG 3.84Å | ||
| 366 | P | 85 | Confident | 69.9 | Low | 11 Ų | 11 | 76.7 Ų | 76.7 | 7% | 0.071 | 45% | 0.448 | C | S | . | . | trans | -52.6 | 141.3 | 171.8 | -27.4 | 35.2 | 0 | 0 | 0 | 111.9 | S217 W221 E368 | S217-P366 WeakPolarHBondContact O-CG 3.31Å; W221-P366 HydrophobicContact CB-CG 3.99Å; W221-P366 VanDerWaalsContact CG-CD 3.41Å; W221-P366 HydrophobicContact CG-CG 4.33Å; P366-E368 PolarHBondContact O-N 3.04Å | ||
| 367 | P | 75.9 | Confident | 71.5 | Confident | 129 Ų | 129 | 73.3 Ų | 73.3 | 84% | 0.838 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -66.1 | -26.7 | -174.3 | 26.7 | -35.2 | 0 | 0 | 0 | 112.9 | ||
| 368 | E | 78.9 | Confident | 73.2 | Confident | 66 Ų | 66 | 72.7 Ų | 72.7 | 31% | 0.308 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -139.6 | 152.7 | -177.8 | -63.8 | -178.8 | 107.7 | 0 | 0 | 110.4 | P366 R372 M376 | P366-E368 PolarHBondContact O-N 3.04Å; E368-R372 IonicContact OE1-CZ 3.4Å; E368-R372 IonicContact OE1-NE 2.83Å; E368-R372 PolarHBondContact OE1-NE 3.27Å; E368-R372 IonicContact OE1-NH2 3.28Å; E368-R372 PolarHBondContact OE1-NH2 2.87Å; E368-M376 WeakPolarHBondContact OE2-CE 3.37Å |
| 369 | T | 83.9 | Confident | 74.2 | Confident | 74 Ų | 74 | 74 Ų | 74 | 45% | 0.454 | 38% | 0.375 | S | S | . | . | trans | -69.1 | 157.3 | 178.1 | 56.1 | 0 | 0 | 0 | 0 | 111.4 | E371 R372 S373 | T369-E371 PolarHBondContact O-N 3.1Å; T369-R372 PolarHBondContact O-N 3.39Å; T369-R372 WeakPolarHBondContact OG1-CB 3.4Å; T369-S373 WeakPolarHBondContact O-CB 3.32Å; T369-S373 PolarHBondContact O-N 2.66Å; T369-S373 PolarHBondContact O-OG 2.93Å | ||
| 370 | L | 84.9 | Confident | 74.4 | Confident | 5 Ų | 5 | 81 Ų | 81 | 3% | 0.026 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -54.8 | -50.3 | 177.5 | 178.2 | 58.7 | 0 | 0 | 0 | 112.2 | I174 F177 P214 Y215 N218 R372 S373 L374 | I174-L370 HydrophobicContact CB-CD2 4.47Å; I174-L370 HydrophobicContact CG1-CD2 4.39Å; I174-L370 WeakPolarHBondContact O-CD2 3.37Å; F177-L370 HydrophobicContact CD1-CD2 3.64Å; F177-L370 HydrophobicContact CE1-CB 4.29Å; F177-L370 HydrophobicContact CE1-CD2 3.74Å; F177-L370 HydrophobicContact CG-CD2 4.47Å; P214-L370 HydrophobicContact CB-CD1 4.15Å; Y215-L370 HydrophobicContact CD2-CD2 3.83Å; N218-L370 HydrophobicContact CB-CB 4.42Å; L370-R372 PolarHBondContact O-N 3.26Å; L370-S373 WeakPolarHBondContact O-CB 3.44Å; L370-S373 PolarHBondContact O-N 3.04Å; L370-S373 VanDerWaalsContact O-N 3.11Å; L370-L374 HydrophobicContact CD1-CD1 3.95Å; L370-L374 HydrophobicContact CD1-CD2 4.44Å; L370-L374 HydrophobicContact CD1-CG 4.04Å; L370-L374 HydrophobicContact CG-CD1 3.89Å; L370-L374 HydrophobicContact CG-CG 4.4Å; L370-L374 WeakPolarHBondContact O-CG 3.23Å; L370-L374 PolarHBondContact O-N 3.24Å |
| 371 | E | 81.9 | Confident | 73.8 | Confident | 101 Ų | 101 | 80.1 Ų | 80.1 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -54.6 | -50.5 | -179.5 | -57 | -177 | 119.7 | 0 | 0 | 112.2 | K175 T369 S373 L374 E375 | K175-E371 HydrophobicContact CB-CG 4.24Å; K175-E371 HydrophobicContact CD-CG 4.35Å; K175-E371 HydrophobicContact CG-CG 4.15Å; T369-E371 PolarHBondContact O-N 3.1Å; E371-S373 VanDerWaalsContact C-N 3.3Å; E371-S373 PolarHBondContact O-N 3.32Å; E371-L374 PolarHBondContact O-N 3.38Å; E371-L374 VanDerWaalsContact O-N 3.16Å; E371-E375 WeakPolarHBondContact O-CG 3.44Å; E371-E375 PolarHBondContact O-N 3.07Å |
| 372 | R | 79.8 | Confident | 72.4 | Confident | 141 Ų | 141 | 87.1 Ų | 87.1 | 53% | 0.532 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 178.8 | 179.2 | 170.6 | 161.4 | 143.9 | -4.9 | 111.9 | E368 T369 L370 E375 M376 | E368-R372 IonicContact OE1-CZ 3.4Å; E368-R372 IonicContact OE1-NE 2.83Å; E368-R372 PolarHBondContact OE1-NE 3.27Å; E368-R372 IonicContact OE1-NH2 3.28Å; E368-R372 PolarHBondContact OE1-NH2 2.87Å; T369-R372 PolarHBondContact O-N 3.39Å; T369-R372 WeakPolarHBondContact OG1-CB 3.4Å; L370-R372 PolarHBondContact O-N 3.26Å; R372-E375 PolarHBondContact O-N 3.17Å; R372-M376 HydrophobicContact CG-CE 4.13Å; R372-M376 WeakPolarHBondContact O-CE 3.48Å; R372-M376 WeakPolarHBondContact O-CG 3.49Å; R372-M376 PolarHBondContact O-N 3.4Å; R372-M376 VanDerWaalsContact O-N 3.08Å |
| 373 | S | 83.3 | Confident | 70.7 | Confident | 24 Ų | 24 | 90.6 Ų | 90.6 | 17% | 0.168 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 174.7 | -55 | 0 | 0 | 0 | 0 | 111.9 | T369 L370 E371 S377 | T369-S373 WeakPolarHBondContact O-CB 3.32Å; T369-S373 PolarHBondContact O-N 2.66Å; T369-S373 PolarHBondContact O-OG 2.93Å; L370-S373 WeakPolarHBondContact O-CB 3.44Å; L370-S373 PolarHBondContact O-N 3.04Å; L370-S373 VanDerWaalsContact O-N 3.11Å; E371-S373 VanDerWaalsContact C-N 3.3Å; E371-S373 PolarHBondContact O-N 3.32Å; S373-S377 PolarHBondContact O-N 3.17Å; S373-S377 VanDerWaalsContact O-N 3.17Å |
| 374 | L | 82.7 | Confident | 68.3 | Low | 6 Ų | 6 | 100.6 Ų | 100.6 | 3% | 0.031 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -70.2 | -36.7 | 177.3 | -63.3 | 169.3 | 0 | 0 | 0 | 112.4 | I174 K175 T211 L370 E371 S377 R378 | I174-L374 HydrophobicContact CD1-CD1 3.76Å; I174-L374 HydrophobicContact CD1-CD2 4.05Å; I174-L374 HydrophobicContact CG1-CD1 3.89Å; K175-L374 HydrophobicContact CG-CD1 4.46Å; T211-L374 HydrophobicContact CG2-CD2 3.69Å; L370-L374 HydrophobicContact CD1-CD1 3.95Å; L370-L374 HydrophobicContact CD1-CD2 4.44Å; L370-L374 HydrophobicContact CD1-CG 4.04Å; L370-L374 HydrophobicContact CG-CD1 3.89Å; L370-L374 HydrophobicContact CG-CG 4.4Å; L370-L374 WeakPolarHBondContact O-CG 3.23Å; L370-L374 PolarHBondContact O-N 3.24Å; E371-L374 PolarHBondContact O-N 3.38Å; E371-L374 VanDerWaalsContact O-N 3.16Å; L374-S377 PolarHBondContact O-N 3Å; L374-S377 PolarHBondContact O-OG 2.93Å; L374-R378 PolarHBondContact O-N 3.14Å |
| 375 | E | 77.8 | Confident | 65.9 | Low | 108 Ų | 108 | 102.7 Ų | 102.7 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 174.8 | -73.1 | -168.5 | 151.5 | 0 | 0 | 111.9 | E371 R372 H379 | E371-E375 WeakPolarHBondContact O-CG 3.44Å; E371-E375 PolarHBondContact O-N 3.07Å; R372-E375 PolarHBondContact O-N 3.17Å; E375-H379 PolarHBondContact O-N 3.22Å; E375-H379 VanDerWaalsContact O-N 3.16Å; E375-H379 PolarHBondContact O-ND1 3.02Å |
| 376 | M | 72.9 | Confident | 63.5 | Low | 79 Ų | 79 | 105.3 Ų | 105.3 | 39% | 0.389 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.9 | -32 | 178.5 | -69.8 | -174.4 | -60.8 | 0 | 0 | 113.4 | E368 R372 H379 R380 | E368-M376 WeakPolarHBondContact OE2-CE 3.37Å; R372-M376 HydrophobicContact CG-CE 4.13Å; R372-M376 WeakPolarHBondContact O-CE 3.48Å; R372-M376 WeakPolarHBondContact O-CG 3.49Å; R372-M376 PolarHBondContact O-N 3.4Å; R372-M376 VanDerWaalsContact O-N 3.08Å; M376-H379 PolarHBondContact O-N 3.42Å; M376-R380 PolarHBondContact O-N 2.99Å; M376-R380 VanDerWaalsContact O-N 3.15Å |
| 377 | S | 65 | Low | 60.8 | Low | 27 Ų | 27 | 114.6 Ų | 114.6 | 19% | 0.189 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 175.1 | 74.4 | 0 | 0 | 0 | 0 | 111.1 | S373 L374 H379 R380 | S373-S377 PolarHBondContact O-N 3.17Å; S373-S377 VanDerWaalsContact O-N 3.17Å; L374-S377 PolarHBondContact O-N 3Å; L374-S377 PolarHBondContact O-OG 2.93Å; S377-H379 VanDerWaalsContact C-N 3.29Å; S377-H379 PolarHBondContact O-N 2.97Å; S377-R380 PolarHBondContact O-N 3.18Å |
| 378 | R | 64.2 | Low | 58.6 | Low | 78 Ų | 78 | 119.7 Ų | 119.7 | 29% | 0.294 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -54.2 | -40.6 | 170.5 | -84.2 | 178.4 | 159.3 | 157.6 | -3.9 | 112.5 | D166 T171 E172 L374 | D166-R378 IonicContact OD1-CZ 2.72Å; D166-R378 VanDerWaalsContact OD1-CZ 3.22Å; D166-R378 IonicContact OD1-NE 2.94Å; D166-R378 PolarHBondContact OD1-NE 3Å; D166-R378 IonicContact OD1-NH2 2.72Å; D166-R378 PolarHBondContact OD1-NH2 3.44Å; D166-R378 IonicContact OD2-NH2 2.66Å; T171-R378 PolarHBondContact OG1-NH2 2.97Å; E172-R378 IonicContact OE1-CZ 3.25Å; E172-R378 IonicContact OE1-NH1 3.47Å; E172-R378 PolarHBondContact OE1-NH1 2.77Å; E172-R378 IonicContact OE1-NH2 2.73Å; L374-R378 PolarHBondContact O-N 3.14Å |
| 379 | H | 54.2 | Low | 56.4 | Low | 127 Ų | 127 | 122.3 Ų | 122.3 | 59% | 0.588 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -72.8 | -27.8 | -179.7 | -77.3 | 89.3 | 0 | 0 | 0 | 114.7 | E375 M376 S377 | E375-H379 PolarHBondContact O-N 3.22Å; E375-H379 VanDerWaalsContact O-N 3.16Å; E375-H379 PolarHBondContact O-ND1 3.02Å; M376-H379 PolarHBondContact O-N 3.42Å; S377-H379 VanDerWaalsContact C-N 3.29Å; S377-H379 PolarHBondContact O-N 2.97Å |
| 380 | R | 47.5 | Very low | 53.7 | Low | 201 Ų | 201 | 126.4 Ų | 126.4 | 76% | 0.758 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.7 | -32.8 | 175.4 | -79 | -172.9 | 174.8 | -176.5 | 1.2 | 112.7 | M376 S377 R382 | M376-R380 PolarHBondContact O-N 2.99Å; M376-R380 VanDerWaalsContact O-N 3.15Å; S377-R380 PolarHBondContact O-N 3.18Å; R380-R382 VanDerWaalsContact C-N 3.29Å; R380-R382 PolarHBondContact O-N 3.2Å |
| 381 | G | 42.7 | Very low | 51.3 | Low | 62 Ų | 62 | 136.2 Ų | 136.2 | 64% | 0.639 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.8 | -30.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K383 | G381-K383 VanDerWaalsContact C-N 3.29Å; G381-K383 PolarHBondContact O-N 3.06Å |
| 382 | R | 40.8 | Very low | 48.8 | Very low | 220 Ų | 220 | 140.2 Ų | 140.2 | 83% | 0.83 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -4.4 | -174.5 | -90.1 | -178.3 | 165.7 | 178.3 | -4.1 | 116.3 | R380 | R380-R382 VanDerWaalsContact C-N 3.29Å; R380-R382 PolarHBondContact O-N 3.2Å |
| 383 | K | 34.8 | Very low | 46.4 | Very low | 195 Ų | 195 | 139.5 Ų | 139.5 | 85% | 0.848 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | 34.9 | -171.6 | -73.5 | -167 | 174.6 | -176.2 | 0 | 115.6 | G381 | G381-K383 VanDerWaalsContact C-N 3.29Å; G381-K383 PolarHBondContact O-N 3.06Å |
| 384 | R | 33.1 | Very low | 43.8 | Very low | 233 Ų | 233 | 146.9 Ų | 146.9 | 88% | 0.879 | 68% | 0.683 | S | S | * | * | trans | -137.2 | 57.6 | 176.5 | -149.7 | 176.2 | -170.4 | -169.9 | 1.8 | 115.1 | Q386 | R384-Q386 PolarHBondContact O-N 2.89Š| ||
| 385 | T | 31.2 | Very low | 41.2 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | trans | -64.9 | 115.1 | 165 | 34.6 | 0 | 0 | 0 | 0 | 110.6 | K387 | T385-K387 PolarHBondContact O-N 2.98Š| ||
| 386 | Q | 32.8 | Very low | 38.9 | Very low | 186 Ų | 186 | 153.4 Ų | 153.4 | 87% | 0.869 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -66 | 126 | 175.4 | -68.8 | 173.4 | -28.2 | 0 | 0 | 110.7 | R384 | R384-Q386 PolarHBondContact O-N 2.89Š|
| 387 | K | 28.2 | Very low | 36.6 | Very low | 206 Ų | 206 | 157.8 Ų | 157.8 | 90% | 0.896 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 126.9 | 154.7 | -83.3 | -172.8 | 173.5 | -177.4 | 0 | 107.9 | T385 | T385-K387 PolarHBondContact O-N 2.98Š|
| 388 | R | 30.6 | Very low | 34.8 | Very low | 236 Ų | 236 | 163.9 Ų | 163.9 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 139.4 | 170.8 | -70.2 | -179 | 173.6 | -177.1 | -3.2 | 109.9 | ||
| 389 | P | 33.2 | Very low | 33.2 | Very low | 121 Ų | 121 | 167.4 Ų | 167.4 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 142.6 | 163.3 | 31.2 | -33.1 | 0 | 0 | 0 | 109.1 | ||
| 390 | N | 26.6 | Very low | 32 | Very low | 160 Ų | 160 | 169.3 Ų | 169.3 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | -136.8 | 121.1 | 171 | -170.7 | 30.1 | 0 | 0 | 0 | 109.2 | ||||
| 391 | Y | 33.3 | Very low | 31.1 | Very low | 210 Ų | 210 | 171.1 Ų | 171.1 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | trans | -93.7 | 127.2 | 178.5 | -104 | -94.1 | 0 | 0 | 0 | 110.1 | ||||
| 392 | K | 30.4 | Very low | 30.4 | Very low | 185 Ų | 185 | 173 Ų | 173 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | trans | -176.8 | 113 | 134.2 | -103.9 | 162.3 | -176.1 | 179.7 | 0 | 113.2 | ||||
| 393 | N | 29.3 | Very low | 29.7 | Very low | 127 Ų | 127 | 166.4 Ų | 166.4 | 68% | 0.679 | 84% | 0.837 | S | S | * | * | trans | 56.2 | 146.3 | 131.2 | -53.1 | 7.1 | 0 | 0 | 0 | 121.3 | ||||
| 394 | L | 29.7 | Very low | 29.3 | Very low | 178 Ų | 178 | 161 Ų | 161 | 93% | 0.932 | 84% | 0.837 | S | S | * | * | trans | 70.8 | 135.7 | 169.9 | -41.1 | -179.7 | 0 | 0 | 0 | 114.1 | ||||
| 395 | G | 27.5 | Very low | 28.9 | Very low | 67 Ų | 67 | 154 Ų | 154 | 69% | 0.691 | 84% | 0.838 | S | S | * | * | cis | 156.7 | 121.9 | -7.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 396 | E | 28.5 | Very low | 28.6 | Very low | 185 Ų | 185 | 151 Ų | 151 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | trans | 57.9 | 152.6 | 165.7 | -78.8 | 166.3 | 151.8 | 0 | 0 | 120.6 | ||||
| 397 | E | 26 | Very low | 28.3 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | trans | 74.3 | 127.1 | 156.2 | -73.2 | 168.1 | 179.9 | 0 | 0 | 123.1 | ||||
| 398 | D | 27.1 | Very low | 28.2 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | trans | 92.9 | 136.8 | 140.3 | -68.5 | 3.6 | 0 | 0 | 0 | 124.7 | ||||
| 399 | D | 29.4 | Very low | 27.9 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -66.1 | 154.8 | 170.1 | -81.4 | -63.1 | 0 | 0 | 0 | 111.9 | ||||
| 400 | D | 29.5 | Very low | 27.6 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | -158.2 | 156.4 | 116.9 | -137.3 | -29.1 | 0 | 0 | 0 | 113.1 | |||||
| 401 | R | 28.2 | Very low | 27.5 | Very low | 238 Ų | 238 | 131.3 Ų | 131.3 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -136.7 | 84.4 | -167.2 | -152.2 | -175.9 | -170.4 | -169 | 4.4 | 113.6 | ||||
| 402 | A | 28.8 | Very low | 27.2 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -152.8 | 150.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 403 | G | 26.4 | Very low | 27 | Very low | 81 Ų | 81 | 126.9 Ų | 126.9 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | cis | 116.4 | 122.2 | 11.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 404 | G | 25.9 | Very low | 26.9 | Very low | 82 Ų | 82 | 129.3 Ų | 129.3 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | cis | 173.6 | -156.1 | -0.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 405 | G | 24.9 | Very low | 26.7 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | 110.5 | 139.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 406 | G | 25 | Very low | 26.5 | Very low | 74 Ų | 74 | 129.1 Ų | 129.1 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | cis | 175.8 | 169.2 | -3.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 407 | S | 25.6 | Very low | 26.2 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | 66.9 | 113.2 | -173.9 | -74.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 408 | S | 27.3 | Very low | 26.3 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | cis | 86 | 141.4 | 49.1 | 75.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 409 | C | 24.3 | Very low | 26.3 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | cis | -178.9 | 162.9 | -6.2 | 48.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 410 | A | 25.6 | Very low | 26.2 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | cis | -157.2 | -178.9 | -9.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 411 | G | 24.8 | Very low | 26 | Very low | 57 Ų | 57 | 127.4 Ų | 127.4 | 59% | 0.588 | 81% | 0.805 | S | S | * | * | cis | -148.1 | 174.7 | 5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 412 | E | 26.5 | Very low | 25.9 | Very low | 184 Ų | 184 | 119.6 Ų | 119.6 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | 71.2 | 135.3 | 83.5 | -64.9 | 179.8 | -174.2 | 0 | 0 | 112.9 | |||||
| 413 | V | 27.9 | Very low | 25.8 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 72% | 0.715 | 80% | 0.804 | S | S | * | * | cis | -159.9 | 153.1 | -5.8 | 117.9 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 414 | E | 25.8 | Very low | 25.7 | Very low | 178 Ų | 178 | 126.9 Ų | 126.9 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | -166.4 | 167.3 | 59.3 | -157.6 | 145.7 | -123.8 | 0 | 0 | 112.5 | |||||
| 415 | E | 26.5 | Very low | 25.7 | Very low | 179 Ų | 179 | 126.9 Ų | 126.9 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -76.8 | 175.7 | 172.3 | -60.4 | 174.9 | 170.9 | 0 | 0 | 110.7 | ||||
| 416 | G | 23.2 | Very low | 25.8 | Very low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | cis | 136.1 | 162.1 | 6.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 417 | W | 22.7 | Very low | 25.9 | Very low | 252 Ų | 252 | 140.1 Ų | 140.1 | 96% | 0.955 | 81% | 0.812 | S | S | * | * | trans | 155.5 | 139.1 | 153.5 | -84 | 11.7 | 0 | 0 | 0 | 112.6 | ||||
| 418 | D | 27.1 | Very low | 25.9 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | -107.4 | 160.5 | 161.1 | -68.7 | -69.8 | 0 | 0 | 0 | 109.5 | ||||
| 419 | D | 27.8 | Very low | 25.9 | Very low | 158 Ų | 158 | 147.5 Ų | 147.5 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | 150 | 158.2 | 123.1 | -162 | 30.2 | 0 | 0 | 0 | 115.8 | |||||
| 420 | D | 26 | Very low | 26 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | 70.5 | 158 | 159.5 | -161.4 | 33.9 | 0 | 0 | 0 | 120.9 | ||||
| 421 | G | 26.1 | Very low | 26 | Very low | 67 Ų | 67 | 149.5 Ų | 149.5 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | trans | 141.3 | 18.7 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 422 | G | 25.6 | Very low | 26 | Very low | 74 Ų | 74 | 154.3 Ų | 154.3 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | -76.8 | 139.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 423 | R | 26.5 | Very low | 26.1 | Very low | 256 Ų | 256 | 153 Ų | 153 | 97% | 0.966 | 82% | 0.822 | S | S | * | * | trans | -160.1 | 140.9 | 156.5 | -127.6 | 175 | -177.7 | -167.8 | -0.5 | 114.1 | ||||
| 424 | G | 25.3 | Very low | 25.9 | Very low | 80 Ų | 80 | 156.6 Ų | 156.6 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | -94.4 | 169.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 425 | G | 25.6 | Very low | 25.8 | Very low | 82 Ų | 82 | 156.2 Ų | 156.2 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | trans | -176.6 | 103 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 426 | E | 26.1 | Very low | 26.1 | Very low | 192 Ų | 192 | 154.5 Ų | 154.5 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | trans | -75.3 | 150.3 | 178.5 | -56.1 | 165.6 | 120.3 | 0 | 0 | 112.1 | ||||
| 427 | R | 27 | Very low | 26.1 | Very low | 248 Ų | 248 | 158 Ų | 158 | 94% | 0.936 | 84% | 0.841 | S | S | * | * | trans | -163.4 | 131.5 | 132.6 | -114.9 | 168 | -173.5 | 177.6 | 2.7 | 114.1 | ||||
| 428 | E | 26.9 | Very low | 26.3 | Very low | 173 Ų | 173 | 152.9 Ų | 152.9 | 81% | 0.808 | 83% | 0.829 | S | S | * | * | trans | -73.5 | 154.7 | 171.3 | -44.9 | 164 | 103.4 | 0 | 0 | 112 | ||||
| 429 | K | 27 | Very low | 26.1 | Very low | 201 Ų | 201 | 154.6 Ų | 154.6 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | 173.6 | 138.7 | 104.1 | -95.6 | -179 | -179.2 | -177 | 0 | 112.3 | |||||
| 430 | G | 26.2 | Very low | 25.9 | Very low | 77 Ų | 77 | 154.7 Ų | 154.7 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | 147.4 | 105.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 431 | K | 26.3 | Very low | 25.8 | Very low | 186 Ų | 186 | 152.6 Ų | 152.6 | 81% | 0.809 | 82% | 0.821 | S | S | * | * | trans | -85.1 | 170.9 | 156.7 | -56.1 | -169 | -176.4 | -178.1 | 0 | 108 | ||||
| 432 | E | 23.5 | Very low | 25.6 | Very low | 158 Ų | 158 | 161.7 Ų | 161.7 | 74% | 0.738 | 84% | 0.835 | S | S | * | * | cis | -154.4 | -167.4 | 23.1 | -149.5 | 137.2 | -125.9 | 0 | 0 | 111.9 | ||||
| 433 | I | 28.3 | Very low | 25.5 | Very low | 156 Ų | 156 | 162.5 Ų | 162.5 | 80% | 0.8 | 84% | 0.835 | S | S | * | * | trans | -74.3 | 140.3 | -169.5 | -59.5 | 155.1 | 0 | 0 | 0 | 112.7 | ||||
| 434 | E | 24.9 | Very low | 25.4 | Very low | 194 Ų | 194 | 156.2 Ų | 156.2 | 91% | 0.907 | 83% | 0.83 | S | S | * | * | trans | -144.9 | 159.6 | 154.7 | -166 | 156.2 | -139.5 | 0 | 0 | 111.2 | ||||
| 435 | M | 22.7 | Very low | 25.5 | Very low | 169 Ų | 169 | 160.7 Ų | 160.7 | 83% | 0.833 | 83% | 0.829 | S | S | * | * | trans | -111.9 | 160.5 | -168.8 | -67 | -173.4 | -63.7 | 0 | 0 | 114.4 | V437 | M435-V437 PolarHBondContact O-N 2.82Š| ||
| 436 | V | 32.7 | Very low | 25.6 | Very low | 144 Ų | 144 | 163.5 Ų | 163.5 | 87% | 0.873 | 82% | 0.824 | S | S | * | * | trans | -41.3 | 120.8 | 171.8 | -179.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 437 | V | 25.1 | Very low | 25.6 | Very low | 134 Ų | 134 | 159.7 Ų | 159.7 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -140.9 | 152.3 | 152.6 | -179.1 | 0 | 0 | 0 | 0 | 109.4 | M435 | M435-V437 PolarHBondContact O-N 2.82Š| ||
| 438 | M | 25.3 | Very low | 26.1 | Very low | 145 Ų | 145 | 157 Ų | 157 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | trans | -54.5 | 152.4 | 175.5 | -54.7 | 155.7 | 59.8 | 0 | 0 | 113.8 | K440 | M438-K440 HydrophobicContact CE-CD 4.27Å; M438-K440 HydrophobicContact CE-CG 4.16Å | ||
| 439 | E | 23.8 | Very low | 26.5 | Very low | 199 Ų | 199 | 156.4 Ų | 156.4 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -114.8 | 142.3 | 145.6 | -167.5 | 167.1 | -153.3 | 0 | 0 | 110 | ||||
| 440 | K | 24.3 | Very low | 27.2 | Very low | 159 Ų | 159 | 154.9 Ų | 154.9 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | trans | -118.4 | 147.7 | -170.8 | -125.4 | -174 | -179.4 | -179.6 | 0 | 110.2 | M438 | M438-K440 HydrophobicContact CE-CD 4.27Å; M438-K440 HydrophobicContact CE-CG 4.16Å | ||
| 441 | C | 23.3 | Very low | 28.2 | Very low | 110 Ų | 110 | 155.7 Ų | 155.7 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | 32.8 | 120.3 | 149.6 | -55.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 442 | R | 22.6 | Very low | 29.9 | Very low | 258 Ų | 258 | 150.3 Ų | 150.3 | 97% | 0.974 | 78% | 0.779 | S | S | * | * | trans | -108.3 | 126.8 | 134.3 | -75.6 | -170.6 | 174.9 | -171.8 | -0.9 | 109 | ||||
| 443 | A | 22.1 | Very low | 31.2 | Very low | 92 Ų | 92 | 148.4 Ų | 148.4 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | -96.5 | 160.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 444 | S | 25.6 | Very low | 32.7 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -120.9 | 107.1 | 160.1 | -68.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 445 | E | 25.7 | Very low | 33.9 | Very low | 174 Ų | 174 | 144.6 Ų | 144.6 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | trans | -48.7 | 146.2 | 151.6 | -75 | 164.1 | -160.4 | 0 | 0 | 110.1 | ||||
| 446 | L | 28.6 | Very low | 35.2 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | cis | -144.2 | 170.4 | 5.3 | -90.8 | 135.1 | 0 | 0 | 0 | 106.4 | ||||
| 447 | T | 26.2 | Very low | 36.1 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | cis | -148.1 | 145.4 | 40.8 | 51.1 | 0 | 0 | 0 | 0 | 113 | Q449 | T447-Q449 PolarHBondContact O-N 2.99Š| ||
| 448 | E | 37.8 | Very low | 37 | Very low | 190 Ų | 190 | 135.2 Ų | 135.2 | 89% | 0.888 | 70% | 0.699 | S | S | * | * | trans | -69.4 | 119.7 | 169.2 | -61.8 | 177.2 | 145.1 | 0 | 0 | 111.2 | ||||
| 449 | Q | 35.4 | Very low | 37.6 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 76% | 0.757 | 68% | 0.683 | S | S | * | * | trans | -124.8 | 135.2 | 157.7 | -70.5 | -172.6 | -10.4 | 0 | 0 | 107.4 | T447 I451 | T447-Q449 PolarHBondContact O-N 2.99Å; Q449-I451 VanDerWaalsContact C-N 3.31Å; Q449-I451 PolarHBondContact O-N 3.17Å | ||
| 450 | N | 41 | Very low | 38.5 | Very low | 169 Ų | 169 | 123.4 Ų | 123.4 | 90% | 0.904 | 66% | 0.659 | S | S | * | * | trans | -74.8 | 83.9 | -179.3 | -69.1 | -30.1 | 0 | 0 | 0 | 110 | ||||
| 451 | I | 47.6 | Very low | 39.2 | Very low | 94 Ų | 94 | 120.2 Ų | 120.2 | 48% | 0.482 | 65% | 0.653 | S | S | . | * | trans | -63.9 | 142.3 | 166.1 | 67.6 | 172.6 | 0 | 0 | 0 | 109.1 | Q449 E455 K456 | Q449-I451 VanDerWaalsContact C-N 3.31Å; Q449-I451 PolarHBondContact O-N 3.17Å; I451-E455 HydrophobicContact CB-CB 4.09Å; I451-K456 HydrophobicContact CD1-CB 4.15Å; I451-K456 HydrophobicContact CD1-CG 4.16Å | ||
| 452 | T | 61.4 | Low | 39.9 | Very low | 73 Ų | 73 | 123.5 Ų | 123.5 | 45% | 0.448 | 65% | 0.649 | S | S | . | * | trans | -75.6 | 159.8 | 172.6 | 59.5 | 0 | 0 | 0 | 0 | 110.3 | E454 E455 K456 | T452-E454 PolarHBondContact O-N 2.98Å; T452-E454 VanDerWaalsContact O-N 3.16Å; T452-E455 PolarHBondContact O-N 3.45Å; T452-E455 PolarHBondContact OG1-N 3.15Å; T452-K456 PolarHBondContact O-N 2.86Å | ||
| 453 | D | 51.8 | Low | 40.5 | Very low | 117 Ų | 117 | 116 Ų | 116 | 63% | 0.626 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.8 | -18.2 | 173.8 | -72.6 | -52.9 | 0 | 0 | 0 | 112.4 | K456 T457 | D453-K456 WeakPolarHBondContact OD1-CD 3.38Å; D453-K456 IonicContact OD1-NZ 3.85Å; D453-T457 WeakPolarHBondContact O-CB 3.36Å; D453-T457 PolarHBondContact O-N 3.23Å; D453-T457 PolarHBondContact O-OG1 2.87Å |
| 454 | E | 58.3 | Low | 41.3 | Very low | 157 Ų | 157 | 118.3 Ų | 118.3 | 73% | 0.734 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.7 | -48.4 | 167.4 | -62.2 | -179.7 | 120.3 | 0 | 0 | 112 | T452 K456 T457 A458 | T452-E454 PolarHBondContact O-N 2.98Å; T452-E454 VanDerWaalsContact O-N 3.16Å; E454-K456 VanDerWaalsContact C-N 3.27Å; E454-K456 PolarHBondContact O-N 3.07Å; E454-T457 PolarHBondContact O-N 2.66Å; E454-A458 WeakPolarHBondContact O-CB 3.49Å; E454-A458 PolarHBondContact O-N 3.5Å |
| 455 | E | 51.1 | Low | 41.9 | Very low | 113 Ų | 113 | 117.8 Ų | 117.8 | 53% | 0.528 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.3 | -34.8 | 173.9 | -83.1 | -159.9 | 119.9 | 0 | 0 | 112.1 | I451 T452 A458 A459 | I451-E455 HydrophobicContact CB-CB 4.09Å; T452-E455 PolarHBondContact O-N 3.45Å; T452-E455 PolarHBondContact OG1-N 3.15Å; E455-A458 CarbonylContact O-C 3.56Å; E455-A458 PolarHBondContact O-N 3.34Å; E455-A459 WeakPolarHBondContact O-CB 3.34Å; E455-A459 PolarHBondContact O-N 2.77Å |
| 456 | K | 50.6 | Low | 42.7 | Very low | 123 Ų | 123 | 118.1 Ų | 118.1 | 54% | 0.535 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.4 | -38.8 | 175.7 | -152.8 | 174.5 | -174.5 | 178.3 | 0 | 111.9 | I451 T452 D453 E454 A459 A460 | I451-K456 HydrophobicContact CD1-CB 4.15Å; I451-K456 HydrophobicContact CD1-CG 4.16Å; T452-K456 PolarHBondContact O-N 2.86Å; D453-K456 WeakPolarHBondContact OD1-CD 3.38Å; D453-K456 IonicContact OD1-NZ 3.85Å; E454-K456 VanDerWaalsContact C-N 3.27Å; E454-K456 PolarHBondContact O-N 3.07Å; K456-A459 PolarHBondContact O-N 2.86Å; K456-A460 PolarHBondContact O-N 3Å; K456-A460 VanDerWaalsContact O-N 3.1Å |
| 457 | T | 50.8 | Low | 43.8 | Very low | 90 Ų | 90 | 120.3 Ų | 120.3 | 55% | 0.552 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.3 | -39.4 | 172.6 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | D453 E454 A459 A460 T461 | D453-T457 WeakPolarHBondContact O-CB 3.36Å; D453-T457 PolarHBondContact O-N 3.23Å; D453-T457 PolarHBondContact O-OG1 2.87Å; E454-T457 PolarHBondContact O-N 2.66Å; T457-A459 VanDerWaalsContact C-N 3.31Å; T457-A459 PolarHBondContact O-N 3.18Å; T457-A460 PolarHBondContact O-N 3.1Å; T457-T461 PolarHBondContact O-N 2.88Å; T457-T461 VanDerWaalsContact O-N 3.13Å; T457-T461 PolarHBondContact O-OG1 3.48Å |
| 458 | A | 43.1 | Very low | 45.6 | Very low | 38 Ų | 38 | 118.2 Ų | 118.2 | 31% | 0.314 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.8 | -25.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E454 E455 T461 R462 | E454-A458 WeakPolarHBondContact O-CB 3.49Å; E454-A458 PolarHBondContact O-N 3.5Å; E455-A458 CarbonylContact O-C 3.56Å; E455-A458 PolarHBondContact O-N 3.34Å; A458-T461 WeakPolarHBondContact CA-OG1 3.38Å; A458-T461 PolarHBondContact O-OG1 3.38Å; A458-T461 VanDerWaalsContact O-OG1 3.07Å; A458-R462 WeakPolarHBondContact O-CD 3.24Å; A458-R462 VanDerWaalsContact O-CG 3.26Å; A458-R462 WeakPolarHBondContact O-CG 3.29Å; A458-R462 PolarHBondContact O-N 3.38Å |
| 459 | A | 39.1 | Very low | 47.5 | Very low | 45 Ų | 45 | 111.9 Ų | 111.9 | 37% | 0.372 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -73.2 | -39.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E455 K456 T457 T461 R462 T463 | E455-A459 WeakPolarHBondContact O-CB 3.34Å; E455-A459 PolarHBondContact O-N 2.77Å; K456-A459 PolarHBondContact O-N 2.86Å; T457-A459 VanDerWaalsContact C-N 3.31Å; T457-A459 PolarHBondContact O-N 3.18Å; A459-T461 PolarHBondContact O-N 3.26Å; A459-R462 WeakPolarHBondContact O-CB 3.43Å; A459-R462 PolarHBondContact O-N 3.48Å; A459-R462 VanDerWaalsContact O-N 3.14Å; A459-T463 PolarHBondContact O-N 3.07Å; A459-T463 PolarHBondContact O-OG1 3.42Å |
| 460 | A | 41.5 | Very low | 49.6 | Very low | 51 Ų | 51 | 105.2 Ų | 105.2 | 42% | 0.421 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64 | -36.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K456 T457 T463 | K456-A460 PolarHBondContact O-N 3Å; K456-A460 VanDerWaalsContact O-N 3.1Å; T457-A460 PolarHBondContact O-N 3.1Å; A460-T463 WeakPolarHBondContact CA-OG1 3.45Å; A460-T463 PolarHBondContact O-N 3.45Å; A460-T463 PolarHBondContact O-OG1 2.91Å |
| 461 | T | 39.9 | Very low | 51.4 | Low | 92 Ų | 92 | 97.1 Ų | 97.1 | 56% | 0.564 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69.4 | -34.9 | 171.1 | 49.8 | 0 | 0 | 0 | 0 | 112.3 | T457 A458 A459 T463 H464 | T457-T461 PolarHBondContact O-N 2.88Å; T457-T461 VanDerWaalsContact O-N 3.13Å; T457-T461 PolarHBondContact O-OG1 3.48Å; A458-T461 WeakPolarHBondContact CA-OG1 3.38Å; A458-T461 PolarHBondContact O-OG1 3.38Å; A458-T461 VanDerWaalsContact O-OG1 3.07Å; A459-T461 PolarHBondContact O-N 3.26Å; T461-T463 VanDerWaalsContact C-N 3.31Å; T461-T463 PolarHBondContact O-N 3.36Å; T461-H464 PolarHBondContact O-N 2.85Å; T461-H464 VanDerWaalsContact O-N 3.07Å |
| 462 | R | 37.2 | Very low | 53.1 | Low | 179 Ų | 179 | 93.8 Ų | 93.8 | 68% | 0.675 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.3 | -27.4 | 172.8 | -73.7 | 169.8 | -177 | 168.9 | 4.5 | 113.8 | A458 A459 H464 T465 | A458-R462 WeakPolarHBondContact O-CD 3.24Å; A458-R462 VanDerWaalsContact O-CG 3.26Å; A458-R462 WeakPolarHBondContact O-CG 3.29Å; A458-R462 PolarHBondContact O-N 3.38Å; A459-R462 WeakPolarHBondContact O-CB 3.43Å; A459-R462 PolarHBondContact O-N 3.48Å; A459-R462 VanDerWaalsContact O-N 3.14Å; R462-H464 VanDerWaalsContact C-N 3.26Å; R462-H464 PolarHBondContact O-N 2.93Å; R462-T465 PolarHBondContact O-N 3.46Å; R462-T465 PolarHBondContact O-OG1 3.28Å |
| 463 | T | 36.5 | Very low | 54.1 | Low | 101 Ų | 101 | 94.7 Ų | 94.7 | 62% | 0.62 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -13.8 | 171.2 | 43.6 | 0 | 0 | 0 | 0 | 114 | A459 A460 T461 | A459-T463 PolarHBondContact O-N 3.07Å; A459-T463 PolarHBondContact O-OG1 3.42Å; A460-T463 WeakPolarHBondContact CA-OG1 3.45Å; A460-T463 PolarHBondContact O-N 3.45Å; A460-T463 PolarHBondContact O-OG1 2.91Å; T461-T463 VanDerWaalsContact C-N 3.31Å; T461-T463 PolarHBondContact O-N 3.36Å |
| 464 | H | 38.8 | Very low | 55.8 | Low | 140 Ų | 140 | 90.8 Ų | 90.8 | 65% | 0.648 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -16.9 | 173.7 | -91.1 | -74.1 | 0 | 0 | 0 | 114.1 | T461 R462 E466 | T461-H464 PolarHBondContact O-N 2.85Å; T461-H464 VanDerWaalsContact O-N 3.07Å; R462-H464 VanDerWaalsContact C-N 3.26Å; R462-H464 PolarHBondContact O-N 2.93Å; H464-E466 VanDerWaalsContact C-N 3.25Å; H464-E466 PolarHBondContact O-N 3.2Å |
| 465 | T | 37.7 | Very low | 57 | Low | 112 Ų | 112 | 83.3 Ų | 83.3 | 69% | 0.687 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | 0.8 | 180 | 24.8 | 0 | 0 | 0 | 0 | 115.5 | R462 R467 | R462-T465 PolarHBondContact O-N 3.46Å; R462-T465 PolarHBondContact O-OG1 3.28Å; T465-R467 VanDerWaalsContact C-N 3.29Å; T465-R467 PolarHBondContact O-N 3.17Å |
| 466 | E | 41.7 | Very low | 58.7 | Low | 180 Ų | 180 | 80.1 Ų | 80.1 | 84% | 0.841 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -2.8 | 177.3 | -63.7 | -165 | 146.5 | 0 | 0 | 114.5 | H464 | H464-E466 VanDerWaalsContact C-N 3.25Å; H464-E466 PolarHBondContact O-N 3.2Å |
| 467 | R | 51.6 | Low | 60.4 | Low | 188 Ų | 188 | 77.8 Ų | 77.8 | 71% | 0.709 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -107.8 | 118.5 | 166.4 | -92.9 | -173.5 | 173.2 | 179.7 | -1.7 | 111.2 | T465 R469 | T465-R467 VanDerWaalsContact C-N 3.29Å; T465-R467 PolarHBondContact O-N 3.17Å; R467-R469 PolarHBondContact O-N 3.41Å |
| 468 | S | 64.6 | Low | 62.1 | Low | 68 Ų | 68 | 74.4 Ų | 74.4 | 48% | 0.476 | 40% | 0.397 | S | S | . | . | trans | -49.4 | 122.8 | 159.9 | 171.7 | 0 | 0 | 0 | 0 | 110.2 | D336 P470 | D336-S468 WeakPolarHBondContact OD1-CB 3.2Å; D336-S468 PolarHBondContact OD1-OG 2.91Å; S468-P470 WeakPolarHBondContact OG-CD 3.29Å | ||
| 469 | R | 78.4 | Confident | 64.4 | Low | 57 Ų | 57 | 72.6 Ų | 72.6 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | trans | -134.7 | 58.2 | 176.6 | -66.2 | 178.6 | 179.6 | -115.1 | 3.2 | 110.3 | L333 N334 R467 F471 L472 D473 | L333-R469 PolarHBondContact O-NH1 3Å; N334-R469 PolarHBondContact OD1-NH1 3.32Å; N334-R469 PolarHBondContact OD1-NH2 3Å; R467-R469 PolarHBondContact O-N 3.41Å; R469-F471 PolarHBondContact O-N 2.85Å; R469-L472 HydrophobicContact CB-CB 4.03Å; R469-L472 WeakPolarHBondContact O-CA 3.42Å; R469-L472 WeakPolarHBondContact O-CB 3.44Å; R469-L472 PolarHBondContact O-N 3.48Å; R469-D473 PolarHBondContact O-N 2.74Å; R469-D473 VanDerWaalsContact O-OD2 3.09Å | ||
| 470 | P | 79.1 | Confident | 66.5 | Low | 22 Ų | 22 | 73 Ų | 73 | 14% | 0.143 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.8 | -24.7 | -162 | 26.4 | -35 | 0 | 0 | 0 | 113.7 | V293 L337 S468 M474 | V293-P470 HydrophobicContact CG1-CB 4.22Å; V293-P470 HydrophobicContact CG2-CB 3.91Å; V293-P470 HydrophobicContact CG2-CG 4.39Å; L337-P470 HydrophobicContact CG-CG 4.11Å; S468-P470 WeakPolarHBondContact OG-CD 3.29Å; P470-M474 WeakPolarHBondContact O-CB 3.43Å; P470-M474 PolarHBondContact O-N 2.99Å |
| 471 | F | 79.8 | Confident | 68.4 | Low | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.2 | -43.1 | 173.4 | -55.5 | -67.1 | 0 | 0 | 0 | 112.4 | V289 L292 V293 I332 L337 F340 R469 V475 | V289-F471 HydrophobicContact CG1-CD1 3.69Å; V289-F471 HydrophobicContact CG1-CE1 3.73Å; V289-F471 HydrophobicContact CG1-CG 4.15Å; V289-F471 HydrophobicContact CG1-CZ 4.19Å; V289-F471 WeakPolarHBondContact O-CE1 3.44Å; L292-F471 HydrophobicContact CB-CD1 4.11Å; V293-F471 HydrophobicContact CB-CD1 4.4Å; V293-F471 HydrophobicContact CB-CE1 3.93Å; V293-F471 HydrophobicContact CG2-CD1 3.41Å; V293-F471 VanDerWaalsContact CG2-CD1 3.41Å; V293-F471 HydrophobicContact CG2-CE1 3.39Å; V293-F471 HydrophobicContact CG2-CG 4.17Å; V293-F471 HydrophobicContact CG2-CZ 4.15Å; I332-F471 WeakPolarHBondContact O-CB 3.45Å; L337-F471 HydrophobicContact CD2-CZ 4.09Å; F340-F471 HydrophobicContact CE2-CE1 4.5Å; F340-F471 HydrophobicContact CE2-CE2 4.06Å; F340-F471 AromaticContact CE2-CZ 3.55Å; F340-F471 HydrophobicContact CE2-CZ 3.55Å; F340-F471 HydrophobicContact CZ-CZ 4.1Å; R469-F471 PolarHBondContact O-N 2.85Å; F471-V475 WeakPolarHBondContact O-CG2 3.47Å; F471-V475 PolarHBondContact O-N 3.47Å |
| 472 | L | 81.6 | Confident | 70.1 | Confident | 23 Ų | 23 | 71.6 Ų | 71.6 | 12% | 0.12 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.9 | -38.2 | 175.5 | -174.2 | 65.4 | 0 | 0 | 0 | 111.5 | L333 R469 M474 V475 Y476 | L333-L472 HydrophobicContact CD2-CD1 3.81Å; R469-L472 HydrophobicContact CB-CB 4.03Å; R469-L472 WeakPolarHBondContact O-CA 3.42Å; R469-L472 WeakPolarHBondContact O-CB 3.44Å; R469-L472 PolarHBondContact O-N 3.48Å; L472-M474 VanDerWaalsContact C-N 3.33Å; L472-M474 PolarHBondContact O-N 3.47Å; L472-V475 HydrophobicContact CD1-CG1 4.39Å; L472-V475 WeakPolarHBondContact O-CB 3.31Å; L472-V475 PolarHBondContact O-N 3.22Å; L472-Y476 HydrophobicContact CD1-CD2 4.23Å; L472-Y476 HydrophobicContact CD1-CE2 3.67Å; L472-Y476 HydrophobicContact CD2-CE2 3.92Å; L472-Y476 HydrophobicContact CG-CD2 3.94Å; L472-Y476 HydrophobicContact CG-CE2 3.55Å; L472-Y476 WeakPolarHBondContact O-CD2 3.46Å; L472-Y476 PolarHBondContact O-N 3.47Å |
| 473 | D | 83.9 | Confident | 71.9 | Confident | 92 Ų | 92 | 68.5 Ų | 68.5 | 49% | 0.492 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 175.6 | -62 | -42.3 | 0 | 0 | 0 | 111.1 | R469 S477 | R469-D473 PolarHBondContact O-N 2.74Å; R469-D473 VanDerWaalsContact O-OD2 3.09Å; D473-S477 WeakPolarHBondContact O-CB 3.45Å; D473-S477 PolarHBondContact O-N 3.03Å |
| 474 | M | 85.8 | Confident | 74.2 | Confident | 35 Ų | 35 | 66.8 Ų | 66.8 | 17% | 0.172 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.4 | -47.2 | 171.3 | -171.7 | -74.4 | -66.3 | 0 | 0 | 111.4 | L292 L309 P470 L472 Y476 S477 A478 | L292-M474 HydrophobicContact CB-CE 3.75Å; L292-M474 HydrophobicContact CD1-CE 4.25Å; L292-M474 HydrophobicContact CD2-CE 3.75Å; L292-M474 HydrophobicContact CG-CE 4.12Å; L292-M474 WeakPolarHBondContact O-CG 3.32Å; L309-M474 HydrophobicContact CD1-CE 4.38Å; L309-M474 HydrophobicContact CD2-CE 4.15Å; L309-M474 HydrophobicContact CG-CE 4.45Å; P470-M474 WeakPolarHBondContact O-CB 3.43Å; P470-M474 PolarHBondContact O-N 2.99Å; L472-M474 VanDerWaalsContact C-N 3.33Å; L472-M474 PolarHBondContact O-N 3.47Å; M474-Y476 VanDerWaalsContact C-N 3.32Å; M474-Y476 PolarHBondContact O-N 2.89Å; M474-S477 PolarHBondContact O-N 3.07Å; M474-S477 VanDerWaalsContact O-N 3.07Å; M474-A478 WeakPolarHBondContact O-CB 3.36Å; M474-A478 PolarHBondContact O-N 3.03Å; M474-A478 HydrophobicContact SD-CB 4.07Å |
| 475 | V | 85.1 | Confident | 76.7 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -52.8 | -46.6 | 176.3 | 153 | 0 | 0 | 0 | 0 | 111.7 | F471 L472 L479 V491 L495 | F471-V475 WeakPolarHBondContact O-CG2 3.47Å; F471-V475 PolarHBondContact O-N 3.47Å; L472-V475 HydrophobicContact CD1-CG1 4.39Å; L472-V475 WeakPolarHBondContact O-CB 3.31Å; L472-V475 PolarHBondContact O-N 3.22Å; V475-L479 WeakPolarHBondContact O-CG 3.22Å; V475-V491 HydrophobicContact CB-CG1 4.35Å; V475-V491 HydrophobicContact CG1-CG1 3.79Å; V475-V491 HydrophobicContact CG2-CG1 4.4Å; V475-L495 HydrophobicContact CG1-CD2 4.48Å |
| 476 | Y | 86.4 | Confident | 79.2 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 18% | 0.18 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -74.5 | -28.4 | 177 | -68.5 | -47.4 | 0 | 0 | 0 | 114.2 | L472 M474 V527 L528 R531 | L472-Y476 HydrophobicContact CD1-CD2 4.23Å; L472-Y476 HydrophobicContact CD1-CE2 3.67Å; L472-Y476 HydrophobicContact CD2-CE2 3.92Å; L472-Y476 HydrophobicContact CG-CD2 3.94Å; L472-Y476 HydrophobicContact CG-CE2 3.55Å; L472-Y476 WeakPolarHBondContact O-CD2 3.46Å; L472-Y476 PolarHBondContact O-N 3.47Å; M474-Y476 VanDerWaalsContact C-N 3.32Å; M474-Y476 PolarHBondContact O-N 2.89Å; Y476-V527 HydrophobicContact CD1-CG1 4.15Å; Y476-V527 HydrophobicContact CD2-CG1 4.21Å; Y476-V527 HydrophobicContact CE1-CG1 4.2Å; Y476-V527 HydrophobicContact CE2-CG1 4.23Å; Y476-V527 HydrophobicContact CG-CG1 4.17Å; Y476-L528 HydrophobicContact CE1-CB 4.22Å; Y476-L528 HydrophobicContact CE1-CD1 4.45Å; Y476-R531 HydrophobicContact CD1-CG 4.47Å |
| 477 | S | 86.4 | Confident | 81.5 | Confident | 73 Ų | 73 | 50.1 Ų | 50.1 | 51% | 0.51 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.7 | -41 | 175.9 | -175.2 | 0 | 0 | 0 | 0 | 112.1 | D473 M474 L479 E480 | D473-S477 WeakPolarHBondContact O-CB 3.45Å; D473-S477 PolarHBondContact O-N 3.03Å; M474-S477 PolarHBondContact O-N 3.07Å; M474-S477 VanDerWaalsContact O-N 3.07Å; S477-L479 PolarHBondContact O-N 3.07Å; S477-E480 VanDerWaalsContact O-CB 3.29Å; S477-E480 WeakPolarHBondContact O-CB 3.49Å; S477-E480 WeakPolarHBondContact O-CG 3.48Å; S477-E480 PolarHBondContact O-N 3.47Å |
| 478 | A | 86.8 | Confident | 83.5 | Confident | 20 Ų | 20 | 41.2 Ų | 41.2 | 17% | 0.165 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -24.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | M474 E480 H487 A488 V491 | M474-A478 WeakPolarHBondContact O-CB 3.36Å; M474-A478 PolarHBondContact O-N 3.03Å; M474-A478 HydrophobicContact SD-CB 4.07Å; A478-E480 VanDerWaalsContact C-N 3.27Å; A478-E480 PolarHBondContact O-N 3.21Å; A478-H487 HydrophobicContact CB-CB 4.03Å; A478-A488 WeakPolarHBondContact O-CB 3.2Å; A478-V491 HydrophobicContact CB-CG2 3.73Å |
| 479 | L | 89.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 1.7 | 174.2 | -62.9 | 172.7 | 0 | 0 | 0 | 113.8 | V475 S477 C481 A488 V491 L492 L495 L528 R531 I535 | V475-L479 WeakPolarHBondContact O-CG 3.22Å; S477-L479 PolarHBondContact O-N 3.07Å; L479-C481 VanDerWaalsContact C-N 3.3Å; L479-C481 PolarHBondContact O-N 3.38Å; L479-A488 HydrophobicContact CD2-CB 4.4Å; L479-V491 HydrophobicContact CD1-CG1 4.06Å; L479-V491 HydrophobicContact CD2-CB 4.05Å; L479-V491 HydrophobicContact CD2-CG1 3.85Å; L479-V491 HydrophobicContact CG-CB 4.41Å; L479-V491 HydrophobicContact CG-CG1 3.86Å; L479-L492 HydrophobicContact CD2-CD2 3.81Å; L479-L492 HydrophobicContact CD2-CG 3.84Å; L479-L495 HydrophobicContact CD1-CD1 4.24Å; L479-L528 HydrophobicContact CD1-CD1 3.95Å; L479-R531 HydrophobicContact CB-CB 3.83Å; L479-R531 HydrophobicContact CB-CG 4.25Å; L479-R531 HydrophobicContact CD1-CB 4.12Å; L479-I535 HydrophobicContact CB-CD1 4.32Å; L479-I535 HydrophobicContact CD2-CD1 3.85Å |
| 480 | E | 83.7 | Confident | 85.7 | Confident | 53 Ų | 53 | 35.3 Ų | 35.3 | 25% | 0.248 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -17.6 | 179 | -71.4 | -142.9 | 172.6 | 0 | 0 | 114.8 | S477 A478 T482 R531 R534 | S477-E480 VanDerWaalsContact O-CB 3.29Å; S477-E480 WeakPolarHBondContact O-CB 3.49Å; S477-E480 WeakPolarHBondContact O-CG 3.48Å; S477-E480 PolarHBondContact O-N 3.47Å; A478-E480 VanDerWaalsContact C-N 3.27Å; A478-E480 PolarHBondContact O-N 3.21Å; E480-T482 VanDerWaalsContact C-N 3.3Å; E480-T482 HydrophobicContact CB-CG2 4.02Å; E480-T482 PolarHBondContact O-N 3.49Å; E480-R531 VanDerWaalsContact CD-NH1 3.35Å; E480-R531 IonicContact OE1-CZ 3.8Å; E480-R531 IonicContact OE1-NH1 3.79Å; E480-R531 PolarHBondContact OE1-NH1 2.78Å; E480-R531 IonicContact OE1-NH2 3.36Å; E480-R531 PolarHBondContact OE1-NH2 3.2Å; E480-R534 PolarHBondContact O-NE 2.76Å; E480-R534 PolarHBondContact O-NH2 3.33Å; E480-R534 IonicContact OE2-CZ 3.14Å; E480-R534 IonicContact OE2-NH1 2.83Å; E480-R534 IonicContact OE2-NH2 3.96Å; E480-R534 PolarHBondContact OE2-NH2 3.08Å |
| 481 | C | 82.6 | Confident | 86.4 | Confident | 11 Ų | 11 | 34.3 Ų | 34.3 | 7% | 0.074 | 19% | 0.187 | C | C | . | . | trans | 46.4 | 43.4 | 177.2 | -70 | 0 | 0 | 0 | 0 | 114.9 | L479 D484 A488 | L479-C481 VanDerWaalsContact C-N 3.3Å; L479-C481 PolarHBondContact O-N 3.38Å; C481-D484 WeakPolarHBondContact CA-O 3.39Å; C481-A488 WeakPolarHBondContact SG-CB 3.25Å | ||
| 482 | T | 75.1 | Confident | 87.1 | Confident | 102 Ų | 102 | 34.3 Ų | 34.3 | 63% | 0.626 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -72.3 | -29.9 | -173 | 51.4 | 0 | 0 | 0 | 0 | 114.6 | E480 | E480-T482 VanDerWaalsContact C-N 3.3Å; E480-T482 HydrophobicContact CB-CG2 4.02Å; E480-T482 PolarHBondContact O-N 3.49Å |
| 483 | N | 74.8 | Confident | 87.7 | Confident | 115 Ų | 115 | 33.2 Ų | 33.2 | 62% | 0.615 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -122.7 | -37 | -176.4 | -75.3 | -48.5 | 0 | 0 | 0 | 113.6 | K545 | N483-K545 WeakPolarHBondContact O-CD 3.44Å; N483-K545 PolarHBondContact O-NZ 3.24Å; N483-K545 VanDerWaalsContact O-NZ 3.09Å |
| 484 | D | 84.7 | Confident | 88.1 | Confident | 65 Ų | 65 | 29 Ų | 29 | 35% | 0.348 | 16% | 0.159 | S | C | . | . | trans | -163.5 | -175.6 | 178.4 | 58.3 | 65.3 | 0 | 0 | 0 | 108.5 | C481 Y486 | C481-D484 WeakPolarHBondContact CA-O 3.39Å; D484-Y486 WeakPolarHBondContact OD1-CB 3.2Å; D484-Y486 PolarHBondContact OD1-N 2.83Å | ||
| 485 | D | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -111.5 | 17.8 | 178.8 | 76.2 | -8 | 0 | 0 | 0 | 113.9 | H487 A488 L489 V546 R547 T550 | D485-H487 PolarHBondContact O-N 3.41Å; D485-A488 HydrophobicContact CB-CB 4.35Å; D485-A488 PolarHBondContact O-N 2.89Å; D485-L489 PolarHBondContact O-N 3.05Å; D485-V546 HydrophobicContact CB-CG1 4.48Å; D485-R547 PolarHBondContact O-NH2 3.12Å; D485-R547 IonicContact OD1-CZ 2.76Å; D485-R547 VanDerWaalsContact OD1-CZ 3.25Å; D485-R547 IonicContact OD1-NE 3.72Å; D485-R547 PolarHBondContact OD1-NE 2.95Å; D485-R547 IonicContact OD1-NH2 2.9Å; D485-R547 PolarHBondContact OD1-NH2 2.77Å; D485-R547 WeakPolarHBondContact OD2-CB 3.3Å; D485-R547 PolarHBondContact OD2-N 3.34Å; D485-R547 IonicContact OD2-NE 2.8Å; D485-R547 PolarHBondContact OD2-NE 3.36Å; D485-T550 HydrophobicContact CB-CG2 4.01Å; D485-T550 VanDerWaalsContact OD2-CB 3.24Å; D485-T550 WeakPolarHBondContact OD2-CB 3.29Å; D485-T550 PolarHBondContact OD2-OG1 2.98Å |
| 486 | Y | 89.9 | Confident | 88.7 | Confident | 21 Ų | 21 | 29.4 Ų | 29.4 | 8% | 0.082 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.8 | -51.2 | -169.1 | -176.7 | -148.5 | 0 | 0 | 0 | 111.7 | Q306 D484 F490 L627 P629 P630 | Q306-Y486 HydrophobicContact CG-CE1 3.89Å; Q306-Y486 HydrophobicContact CG-CE2 4.21Å; Q306-Y486 PolarHBondContact NE2-OH 2.82Å; D484-Y486 WeakPolarHBondContact OD1-CB 3.2Å; D484-Y486 PolarHBondContact OD1-N 2.83Å; Y486-F490 HydrophobicContact CD2-CE2 4.13Å; Y486-F490 HydrophobicContact CE2-CE2 4.14Å; Y486-F490 WeakPolarHBondContact O-CD2 3.28Å; Y486-F490 WeakPolarHBondContact O-CE2 3.44Å; Y486-L627 PolarHBondContact OH-O 3.15Å; Y486-P629 HydrophobicContact CE1-CG 4.46Å; Y486-P630 HydrophobicContact CD2-CG 4.34Å; Y486-P630 HydrophobicContact CG-CG 4.5Å |
| 487 | H | 90.2 | Very high | 88.9 | Confident | 61 Ų | 61 | 27.2 Ų | 27.2 | 28% | 0.282 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -73.4 | -38.2 | 174.8 | -64.5 | 83.7 | 0 | 0 | 0 | 112.1 | A478 D485 L489 F490 V491 | A478-H487 HydrophobicContact CB-CB 4.03Å; D485-H487 PolarHBondContact O-N 3.41Å; H487-L489 VanDerWaalsContact C-N 3.33Å; H487-L489 PolarHBondContact O-N 3.29Å; H487-F490 PolarHBondContact O-N 3.14Å; H487-F490 VanDerWaalsContact O-N 3.15Å; H487-V491 PolarHBondContact O-N 3.34Å |
| 488 | A | 93.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.5 | -42.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A478 L479 C481 D485 F490 V491 L492 I535 | A478-A488 WeakPolarHBondContact O-CB 3.2Å; L479-A488 HydrophobicContact CD2-CB 4.4Å; C481-A488 WeakPolarHBondContact SG-CB 3.25Å; D485-A488 HydrophobicContact CB-CB 4.35Å; D485-A488 PolarHBondContact O-N 2.89Å; A488-F490 VanDerWaalsContact C-N 3.32Å; A488-F490 PolarHBondContact O-N 3.23Å; A488-V491 PolarHBondContact O-N 2.75Å; A488-L492 VanDerWaalsContact O-CG 3.25Å; A488-L492 WeakPolarHBondContact O-CG 3.32Å; A488-L492 PolarHBondContact O-N 3.11Å; A488-I535 HydrophobicContact CB-CD1 4.47Å |
| 489 | L | 94.9 | Very high | 89 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.7 | -45.7 | 176.8 | -178.3 | 61.6 | 0 | 0 | 0 | 111.8 | D485 H487 L492 C493 A549 T550 L620 I626 | D485-L489 PolarHBondContact O-N 3.05Å; H487-L489 VanDerWaalsContact C-N 3.33Å; H487-L489 PolarHBondContact O-N 3.29Å; L489-L492 PolarHBondContact O-N 3.46Å; L489-C493 PolarHBondContact O-N 3.27Å; L489-C493 PolarHBondContact O-SG 3.38Å; L489-A549 HydrophobicContact CD1-CB 4.44Å; L489-T550 HydrophobicContact CB-CG2 4.48Å; L489-L620 HydrophobicContact CD1-CD2 4.13Å; L489-I626 HydrophobicContact CD2-CD1 4.49Å |
| 490 | F | 94.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -72.3 | -30.8 | -179.6 | -60.2 | -62.9 | 0 | 0 | 0 | 113.2 | Q306 L309 Y310 S313 Y486 H487 A488 C493 L494 I626 L627 | Q306-F490 HydrophobicContact CB-CD2 3.84Å; Q306-F490 HydrophobicContact CB-CE2 3.91Å; L309-F490 HydrophobicContact CB-CB 3.56Å; L309-F490 HydrophobicContact CD1-CB 4.24Å; Y310-F490 HydrophobicContact CD2-CD1 4.03Å; Y310-F490 AromaticContact CD2-CE1 3.58Å; Y310-F490 HydrophobicContact CD2-CE1 3.58Å; Y310-F490 HydrophobicContact CE2-CE1 4.5Å; Y310-F490 HydrophobicContact CG-CD1 4.48Å; Y310-F490 HydrophobicContact CG-CE1 4.21Å; S313-F490 PolarHBondContact OG-O 3.29Å; Y486-F490 HydrophobicContact CD2-CE2 4.13Å; Y486-F490 HydrophobicContact CE2-CE2 4.14Å; Y486-F490 WeakPolarHBondContact O-CD2 3.28Å; Y486-F490 WeakPolarHBondContact O-CE2 3.44Å; H487-F490 PolarHBondContact O-N 3.14Å; H487-F490 VanDerWaalsContact O-N 3.15Å; A488-F490 VanDerWaalsContact C-N 3.32Å; A488-F490 PolarHBondContact O-N 3.23Å; F490-C493 PolarHBondContact O-N 3.35Å; F490-L494 WeakPolarHBondContact O-CB 3.38Å; F490-L494 PolarHBondContact O-N 2.6Å; F490-I626 HydrophobicContact CE1-CD1 3.69Å; F490-I626 HydrophobicContact CE1-CG1 3.75Å; F490-I626 HydrophobicContact CZ-CD1 4.4Å; F490-I626 HydrophobicContact CZ-CG1 4.01Å; F490-I626 VanDerWaalsContact CZ-O 3.28Å; F490-I626 WeakPolarHBondContact CZ-O 3.45Å; F490-L627 HydrophobicContact CE1-CD2 4.42Å; F490-L627 HydrophobicContact CZ-CD2 4.04Å |
| 491 | V | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.5 | -42.1 | 170.2 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | L309 V475 A478 L479 H487 A488 C493 L494 L495 | L309-V491 HydrophobicContact CD1-CG2 3.66Å; L309-V491 HydrophobicContact CD2-CG2 3.96Å; L309-V491 HydrophobicContact CG-CG2 4.46Å; V475-V491 HydrophobicContact CB-CG1 4.35Å; V475-V491 HydrophobicContact CG1-CG1 3.79Å; V475-V491 HydrophobicContact CG2-CG1 4.4Å; A478-V491 HydrophobicContact CB-CG2 3.73Å; L479-V491 HydrophobicContact CD1-CG1 4.06Å; L479-V491 HydrophobicContact CD2-CB 4.05Å; L479-V491 HydrophobicContact CD2-CG1 3.85Å; L479-V491 HydrophobicContact CG-CB 4.41Å; L479-V491 HydrophobicContact CG-CG1 3.86Å; H487-V491 PolarHBondContact O-N 3.34Å; A488-V491 PolarHBondContact O-N 2.75Å; V491-C493 VanDerWaalsContact C-N 3.35Å; V491-C493 PolarHBondContact O-N 2.71Å; V491-L494 PolarHBondContact O-N 3Å; V491-L495 HydrophobicContact CG1-CD1 4.01Å; V491-L495 HydrophobicContact CG1-CG 4.28Å; V491-L495 VanDerWaalsContact O-CG 3.32Å; V491-L495 WeakPolarHBondContact O-CG 3.28Å; V491-L495 PolarHBondContact O-N 3.27Å |
| 492 | L | 94.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 175 | -65.3 | 167 | 0 | 0 | 0 | 111.2 | L479 A488 L489 L494 L495 Y496 L532 I535 T550 L553 S554 L557 | L479-L492 HydrophobicContact CD2-CD2 3.81Å; L479-L492 HydrophobicContact CD2-CG 3.84Å; A488-L492 VanDerWaalsContact O-CG 3.25Å; A488-L492 WeakPolarHBondContact O-CG 3.32Å; A488-L492 PolarHBondContact O-N 3.11Å; L489-L492 PolarHBondContact O-N 3.46Å; L492-L494 VanDerWaalsContact C-N 3.33Å; L492-L494 PolarHBondContact O-N 2.91Å; L492-L495 PolarHBondContact O-N 3.36Å; L492-Y496 VanDerWaalsContact O-CB 3.3Å; L492-Y496 WeakPolarHBondContact O-CB 3.4Å; L492-Y496 PolarHBondContact O-N 3.15Å; L492-L532 HydrophobicContact CD2-CD2 3.42Å; L492-L532 VanDerWaalsContact CD2-CD2 3.42Å; L492-I535 HydrophobicContact CD1-CD1 4.17Å; L492-I535 HydrophobicContact CD2-CD1 4.49Å; L492-T550 HydrophobicContact CD1-CG2 3.59Å; L492-L553 HydrophobicContact CB-CD2 3.68Å; L492-L553 HydrophobicContact CB-CG 3.93Å; L492-S554 VanDerWaalsContact CD1-OG 3.28Å; L492-S554 WeakPolarHBondContact CD1-OG 3.37Å; L492-L557 HydrophobicContact CB-CD1 4.08Å; L492-L557 HydrophobicContact CD2-CD1 3.74Å |
| 493 | C | 94.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.5 | -40.1 | 171.9 | -69.5 | 0 | 0 | 0 | 0 | 112.3 | L489 F490 V491 A497 V617 M621 | L489-C493 PolarHBondContact O-N 3.27Å; L489-C493 PolarHBondContact O-SG 3.38Å; F490-C493 PolarHBondContact O-N 3.35Å; V491-C493 VanDerWaalsContact C-N 3.35Å; V491-C493 PolarHBondContact O-N 2.71Å; C493-A497 WeakPolarHBondContact O-CB 3.41Å; C493-A497 PolarHBondContact O-N 2.88Å; C493-V617 HydrophobicContact CB-CG1 4.46Å; C493-M621 HydrophobicContact CB-CG 4.37Å; C493-M621 HydrophobicContact CB-SD 3.63Å; C493-M621 VanDerWaalsContact SG-SD 3.66Å |
| 494 | L | 92.7 | Very high | 88.6 | Confident | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.8 | -45.1 | 178.4 | -179.4 | 59.9 | 0 | 0 | 0 | 111.8 | L309 L312 S313 F316 F490 V491 L492 A497 I498 | L309-L494 HydrophobicContact CD2-CD2 3.71Å; L312-L494 HydrophobicContact CB-CD1 3.94Å; S313-L494 VanDerWaalsContact OG-CA 3.27Å; S313-L494 WeakPolarHBondContact OG-CA 3.45Å; S313-L494 WeakPolarHBondContact OG-CB 3.31Å; S313-L494 PolarHBondContact OG-N 3.47Å; S313-L494 VanDerWaalsContact OG-N 3.14Å; F316-L494 HydrophobicContact CD2-CD1 3.62Å; F316-L494 HydrophobicContact CE2-CD1 3.94Å; F490-L494 WeakPolarHBondContact O-CB 3.38Å; F490-L494 PolarHBondContact O-N 2.6Å; V491-L494 PolarHBondContact O-N 3Å; L492-L494 VanDerWaalsContact C-N 3.33Å; L492-L494 PolarHBondContact O-N 2.91Å; L494-A497 PolarHBondContact O-N 3.42Å; L494-I498 HydrophobicContact CD1-CD1 3.91Å; L494-I498 HydrophobicContact CD1-CG1 4.31Å; L494-I498 HydrophobicContact CG-CD1 3.94Å; L494-I498 WeakPolarHBondContact O-CB 3.48Å; L494-I498 VanDerWaalsContact O-CG1 3.28Å; L494-I498 WeakPolarHBondContact O-CG1 3.39Å; L494-I498 PolarHBondContact O-N 2.93Å |
| 495 | L | 91.1 | Very high | 88.3 | Confident | 9 Ų | 9 | 22.1 Ų | 22.1 | 5% | 0.047 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.7 | -40.6 | 177.6 | -67.4 | 174.4 | 0 | 0 | 0 | 111.6 | V475 L479 V491 L492 S499 L514 L528 L557 | V475-L495 HydrophobicContact CG1-CD2 4.48Å; L479-L495 HydrophobicContact CD1-CD1 4.24Å; V491-L495 HydrophobicContact CG1-CD1 4.01Å; V491-L495 HydrophobicContact CG1-CG 4.28Å; V491-L495 VanDerWaalsContact O-CG 3.32Å; V491-L495 WeakPolarHBondContact O-CG 3.28Å; V491-L495 PolarHBondContact O-N 3.27Å; L492-L495 PolarHBondContact O-N 3.36Å; L495-S499 PolarHBondContact O-N 3.11Å; L495-S499 VanDerWaalsContact O-N 3.12Å; L495-S499 PolarHBondContact O-OG 3.33Å; L495-L514 HydrophobicContact CD2-CD1 4.42Å; L495-L514 HydrophobicContact CD2-CD2 4.13Å; L495-L528 HydrophobicContact CD1-CD1 3.67Å; L495-L528 HydrophobicContact CD1-CD2 4.5Å; L495-L557 HydrophobicContact CB-CD1 4.4Å |
| 496 | Y | 91.8 | Very high | 87.7 | Confident | 37 Ų | 37 | 28.2 Ų | 28.2 | 15% | 0.145 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.3 | -47.4 | 171.7 | 178.4 | -82.7 | 0 | 0 | 0 | 111.8 | L317 L492 I498 S499 H500 L553 L556 L557 V617 | L317-Y496 HydrophobicContact CD2-CD1 4.43Å; L317-Y496 HydrophobicContact CD2-CE1 4.4Å; L492-Y496 VanDerWaalsContact O-CB 3.3Å; L492-Y496 WeakPolarHBondContact O-CB 3.4Å; L492-Y496 PolarHBondContact O-N 3.15Å; Y496-I498 VanDerWaalsContact C-N 3.34Å; Y496-I498 PolarHBondContact O-N 3.3Å; Y496-S499 PolarHBondContact O-N 2.9Å; Y496-S499 PolarHBondContact O-OG 2.72Å; Y496-S499 VanDerWaalsContact O-OG 3.11Å; Y496-H500 AromaticContact CD1-ND1 3.87Å; Y496-H500 AromaticContact CD2-CE1 3.28Å; Y496-H500 WeakPolarHBondContact CD2-CE1 3.49Å; Y496-H500 AromaticContact CD2-ND1 3.57Å; Y496-H500 HydrophobicContact CE1-CB 4.33Å; Y496-H500 AromaticContact CE1-CG 3.96Å; Y496-H500 AromaticContact CE1-ND1 3.86Å; Y496-H500 AromaticContact CE2-CE1 3.14Å; Y496-H500 WeakPolarHBondContact CE2-CE1 3.43Å; Y496-H500 AromaticContact CE2-ND1 3.58Å; Y496-H500 AromaticContact CE2-NE2 3.44Å; Y496-H500 WeakPolarHBondContact CE2-NE2 3.23Å; Y496-H500 AromaticContact CG-CE1 3.92Å; Y496-H500 AromaticContact CG-ND1 3.71Å; Y496-H500 AromaticContact CZ-CD2 3.84Å; Y496-H500 AromaticContact CZ-CE1 3.65Å; Y496-H500 AromaticContact CZ-CG 3.83Å; Y496-H500 AromaticContact CZ-ND1 3.71Å; Y496-H500 AromaticContact CZ-NE2 3.73Å; Y496-H500 PolarHBondContact O-N 3.47Å; Y496-H500 PolarHBondContact O-ND1 3.44Å; Y496-L553 HydrophobicContact CD2-CD1 3.71Å; Y496-L553 HydrophobicContact CE2-CD1 4.45Å; Y496-L553 HydrophobicContact CG-CD1 4.07Å; Y496-L556 HydrophobicContact CD2-CD2 3.68Å; Y496-L556 HydrophobicContact CE2-CD1 4.33Å; Y496-L556 HydrophobicContact CE2-CD2 3.64Å; Y496-L557 HydrophobicContact CD2-CD2 4.47Å; Y496-V617 HydrophobicContact CD1-CB 3.73Å; Y496-V617 HydrophobicContact CD1-CG1 3.68Å; Y496-V617 HydrophobicContact CD1-CG2 3.81Å; Y496-V617 HydrophobicContact CD2-CG2 3.96Å; Y496-V617 HydrophobicContact CE1-CB 3.57Å; Y496-V617 HydrophobicContact CE1-CG1 4.05Å; Y496-V617 HydrophobicContact CE1-CG2 3.7Å; Y496-V617 HydrophobicContact CE2-CG2 3.83Å; Y496-V617 HydrophobicContact CG-CB 4.36Å; Y496-V617 HydrophobicContact CG-CG1 4.24Å; Y496-V617 HydrophobicContact CG-CG2 3.96Å |
| 497 | A | 91.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.2 | -45.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | F316 L317 C493 L494 H500 S501 | F316-A497 HydrophobicContact CB-CB 3.7Å; L317-A497 HydrophobicContact CD2-CB 3.9Å; L317-A497 HydrophobicContact CG-CB 3.73Å; C493-A497 WeakPolarHBondContact O-CB 3.41Å; C493-A497 PolarHBondContact O-N 2.88Å; L494-A497 PolarHBondContact O-N 3.42Å; A497-H500 PolarHBondContact O-N 3.34Å; A497-S501 WeakPolarHBondContact O-CB 3.29Å; A497-S501 PolarHBondContact O-N 3.11Å; A497-S501 PolarHBondContact O-OG 3.22Å |
| 498 | I | 89.1 | Confident | 86 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.7 | -47.4 | 177.1 | -70 | 165.8 | 0 | 0 | 0 | 111 | F316 L333 L494 Y496 H500 S501 L509 L514 | F316-I498 HydrophobicContact CB-CG1 4.43Å; F316-I498 HydrophobicContact CD1-CG1 3.94Å; F316-I498 HydrophobicContact CD2-CD1 4.26Å; F316-I498 HydrophobicContact CD2-CG1 3.72Å; F316-I498 HydrophobicContact CE1-CG1 4.09Å; F316-I498 HydrophobicContact CE2-CD1 4.05Å; F316-I498 HydrophobicContact CE2-CG1 3.88Å; F316-I498 HydrophobicContact CG-CG1 3.77Å; F316-I498 HydrophobicContact CZ-CD1 4.34Å; F316-I498 HydrophobicContact CZ-CG1 4.07Å; L333-I498 HydrophobicContact CD1-CD1 4.38Å; L494-I498 HydrophobicContact CD1-CD1 3.91Å; L494-I498 HydrophobicContact CD1-CG1 4.31Å; L494-I498 HydrophobicContact CG-CD1 3.94Å; L494-I498 WeakPolarHBondContact O-CB 3.48Å; L494-I498 VanDerWaalsContact O-CG1 3.28Å; L494-I498 WeakPolarHBondContact O-CG1 3.39Å; L494-I498 PolarHBondContact O-N 2.93Å; Y496-I498 VanDerWaalsContact C-N 3.34Å; Y496-I498 PolarHBondContact O-N 3.3Å; I498-H500 PolarHBondContact O-N 3.41Å; I498-S501 PolarHBondContact O-N 3.46Å; I498-S501 PolarHBondContact O-OG 2.9Å; I498-L509 HydrophobicContact CG2-CD2 3.7Å; I498-L514 HydrophobicContact CG2-CD1 3.87Å |
| 499 | S | 84.9 | Confident | 85.1 | Confident | 5 Ų | 5 | 29.6 Ų | 29.6 | 4% | 0.035 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -71.6 | -25.1 | -177.7 | 63.4 | 0 | 0 | 0 | 0 | 115.2 | L495 Y496 P515 | L495-S499 PolarHBondContact O-N 3.11Å; L495-S499 VanDerWaalsContact O-N 3.12Å; L495-S499 PolarHBondContact O-OG 3.33Å; Y496-S499 PolarHBondContact O-N 2.9Å; Y496-S499 PolarHBondContact O-OG 2.72Å; Y496-S499 VanDerWaalsContact O-OG 3.11Å; S499-P515 WeakPolarHBondContact CB-O 3.33Å |
| 500 | H | 84.7 | Confident | 84.1 | Confident | 66 Ų | 66 | 33.9 Ų | 33.9 | 31% | 0.306 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -98.9 | -9.9 | 177.9 | -62.2 | 75 | 0 | 0 | 0 | 113.4 | Y496 A497 I498 K502 Q560 | Y496-H500 AromaticContact CD1-ND1 3.87Å; Y496-H500 AromaticContact CD2-CE1 3.28Å; Y496-H500 WeakPolarHBondContact CD2-CE1 3.49Å; Y496-H500 AromaticContact CD2-ND1 3.57Å; Y496-H500 HydrophobicContact CE1-CB 4.33Å; Y496-H500 AromaticContact CE1-CG 3.96Å; Y496-H500 AromaticContact CE1-ND1 3.86Å; Y496-H500 AromaticContact CE2-CE1 3.14Å; Y496-H500 WeakPolarHBondContact CE2-CE1 3.43Å; Y496-H500 AromaticContact CE2-ND1 3.58Å; Y496-H500 AromaticContact CE2-NE2 3.44Å; Y496-H500 WeakPolarHBondContact CE2-NE2 3.23Å; Y496-H500 AromaticContact CG-CE1 3.92Å; Y496-H500 AromaticContact CG-ND1 3.71Å; Y496-H500 AromaticContact CZ-CD2 3.84Å; Y496-H500 AromaticContact CZ-CE1 3.65Å; Y496-H500 AromaticContact CZ-CG 3.83Å; Y496-H500 AromaticContact CZ-ND1 3.71Å; Y496-H500 AromaticContact CZ-NE2 3.73Å; Y496-H500 PolarHBondContact O-N 3.47Å; Y496-H500 PolarHBondContact O-ND1 3.44Å; A497-H500 PolarHBondContact O-N 3.34Å; I498-H500 PolarHBondContact O-N 3.41Å; H500-K502 PolarHBondContact O-N 3.33Å; H500-Q560 PolarHBondContact CE1-NE2 3.39Å; H500-Q560 VanDerWaalsContact CE1-NE2 3.34Å; H500-Q560 PolarHBondContact CE1-OE1 3.19Å; H500-Q560 PolarHBondContact NE2-NE2 2.79Å |
| 501 | S | 82.9 | Confident | 82.8 | Confident | 11 Ų | 11 | 42.4 Ų | 42.4 | 8% | 0.077 | 19% | 0.189 | C | C | . | . | trans | -65.6 | 117.4 | -178.8 | 64 | 0 | 0 | 0 | 0 | 111.7 | F316 A497 I498 G503 V504 | F316-S501 WeakPolarHBondContact O-CB 3.46Å; A497-S501 WeakPolarHBondContact O-CB 3.29Å; A497-S501 PolarHBondContact O-N 3.11Å; A497-S501 PolarHBondContact O-OG 3.22Å; I498-S501 PolarHBondContact O-N 3.46Å; I498-S501 PolarHBondContact O-OG 2.9Å; S501-G503 PolarHBondContact O-N 3Å; S501-V504 PolarHBondContact O-N 2.9Å; S501-V504 WeakPolarHBondContact OG-CB 3.42Å; S501-V504 WeakPolarHBondContact OG-CG2 3.28Å | ||
| 502 | K | 77.1 | Confident | 81.4 | Confident | 169 Ų | 169 | 43.4 Ų | 43.4 | 74% | 0.735 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -14.3 | 177.9 | -64 | 174 | -177.6 | 169.8 | 0 | 113.7 | H500 | H500-K502 PolarHBondContact O-N 3.33Š|
| 503 | G | 73.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -18.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | H320 Q322 V325 N326 S501 | H320-G503 VanDerWaalsContact O-CA 3.27Å; H320-G503 WeakPolarHBondContact O-CA 3.37Å; Q322-G503 VanDerWaalsContact CA-O 3.27Å; Q322-G503 WeakPolarHBondContact CA-O 3.27Å; Q322-G503 WeakPolarHBondContact CB-O 3.24Å; Q322-G503 WeakPolarHBondContact CG-O 3.39Å; V325-G503 WeakPolarHBondContact CG2-O 3.14Å; N326-G503 PolarHBondContact ND2-O 2.77Å; S501-G503 PolarHBondContact O-N 3Å |
| 504 | V | 80.5 | Confident | 79.2 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -87.4 | 137.3 | -175.3 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | F316 V325 S501 L508 L509 | F316-V504 HydrophobicContact CD1-CG2 4.17Å; F316-V504 HydrophobicContact CE1-CG2 4.14Å; V325-V504 HydrophobicContact CB-CG2 4.11Å; V325-V504 HydrophobicContact CG2-CG2 3.78Å; S501-V504 PolarHBondContact O-N 2.9Å; S501-V504 WeakPolarHBondContact OG-CB 3.42Å; S501-V504 WeakPolarHBondContact OG-CG2 3.28Å; V504-L508 HydrophobicContact CG1-CB 4.41Å; V504-L508 HydrophobicContact CG1-CD2 4.27Å; V504-L509 HydrophobicContact CG1-CD1 4.41Å; V504-L509 HydrophobicContact CG1-CD2 3.97Å; V504-L509 HydrophobicContact CG1-CG 3.88Å |
| 505 | N | 78.3 | Confident | 77.8 | Confident | 67 Ų | 67 | 48.2 Ų | 48.2 | 36% | 0.358 | 22% | 0.219 | S | C | . | . | trans | -70.4 | 140.5 | -177.1 | -72.1 | 6.1 | 0 | 0 | 0 | 111.7 | N326 D507 L508 L509 | N326-N505 VanDerWaalsContact ND2-CG 3.26Å; N326-N505 PolarHBondContact ND2-OD1 2.94Å; N326-N505 WeakPolarHBondContact OD1-CB 3.27Å; N326-N505 PolarHBondContact OD1-N 3.49Å; N505-D507 VanDerWaalsContact C-N 3.33Å; N505-D507 PolarHBondContact O-N 3.06Å; N505-L508 HydrophobicContact CB-CB 4.46Å; N505-L508 WeakPolarHBondContact O-CB 3.36Å; N505-L508 PolarHBondContact O-N 3.09Å; N505-L509 PolarHBondContact O-N 3.34Å | ||
| 506 | R | 77.2 | Confident | 76.6 | Confident | 127 Ų | 127 | 48.3 Ų | 48.3 | 48% | 0.479 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.7 | -45.7 | 177.1 | -64.8 | -175 | 172.2 | -149.8 | -9.8 | 111.6 | L508 L509 E510 V516 P517 | R506-L508 PolarHBondContact O-N 3.33Å; R506-L508 VanDerWaalsContact O-N 3.12Å; R506-L509 PolarHBondContact O-N 3.47Å; R506-L509 VanDerWaalsContact O-N 3.1Å; R506-E510 WeakPolarHBondContact O-CG 3.41Å; R506-E510 PolarHBondContact O-N 3.02Å; R506-V516 HydrophobicContact CB-CG1 4.34Å; R506-V516 HydrophobicContact CG-CG1 3.9Å; R506-P517 PolarHBondContact NH2-O 3.43Å |
| 507 | D | 72.8 | Confident | 75.3 | Confident | 95 Ų | 95 | 49.7 Ų | 49.7 | 51% | 0.508 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -51 | -35.8 | 173.9 | -54.9 | 33.6 | 0 | 0 | 0 | 113.7 | N505 R511 | N505-D507 VanDerWaalsContact C-N 3.33Å; N505-D507 PolarHBondContact O-N 3.06Å; D507-R511 WeakPolarHBondContact O-CD 3.36Å; D507-R511 WeakPolarHBondContact O-CG 3.39Å; D507-R511 PolarHBondContact O-N 3.43Å; D507-R511 PolarHBondContact O-NE 3.14Å |
| 508 | L | 72.4 | Confident | 74 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 6% | 0.063 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -76.6 | -47.5 | -179.4 | -174 | 54.6 | 0 | 0 | 0 | 109.6 | N326 A329 V504 N505 R506 E510 R511 L512 | N326-L508 HydrophobicContact CB-CD2 4.44Å; A329-L508 HydrophobicContact CB-CD2 3.76Å; V504-L508 HydrophobicContact CG1-CB 4.41Å; V504-L508 HydrophobicContact CG1-CD2 4.27Å; N505-L508 HydrophobicContact CB-CB 4.46Å; N505-L508 WeakPolarHBondContact O-CB 3.36Å; N505-L508 PolarHBondContact O-N 3.09Å; R506-L508 PolarHBondContact O-N 3.33Å; R506-L508 VanDerWaalsContact O-N 3.12Å; L508-E510 VanDerWaalsContact C-N 3.29Å; L508-E510 PolarHBondContact O-N 3.27Å; L508-R511 PolarHBondContact O-N 3.36Å; L508-L512 HydrophobicContact CD1-CD1 4.17Å; L508-L512 HydrophobicContact CD1-CG 4.5Å; L508-L512 HydrophobicContact CG-CD1 3.94Å; L508-L512 WeakPolarHBondContact O-CB 3.43Å; L508-L512 VanDerWaalsContact O-CD1 3.28Å; L508-L512 WeakPolarHBondContact O-CD1 3.24Å; L508-L512 WeakPolarHBondContact O-CG 3.25Å; L508-L512 PolarHBondContact O-N 3.21Å; L508-L512 VanDerWaalsContact O-N 3.09Å |
| 509 | L | 75.2 | Confident | 73 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.8 | -37 | 175 | -64.4 | 173.6 | 0 | 0 | 0 | 112.7 | I498 V504 N505 R506 L512 Q513 L514 V516 | I498-L509 HydrophobicContact CG2-CD2 3.7Å; V504-L509 HydrophobicContact CG1-CD1 4.41Å; V504-L509 HydrophobicContact CG1-CD2 3.97Å; V504-L509 HydrophobicContact CG1-CG 3.88Å; N505-L509 PolarHBondContact O-N 3.34Å; R506-L509 PolarHBondContact O-N 3.47Å; R506-L509 VanDerWaalsContact O-N 3.1Å; L509-L512 CarbonylContact O-C 3.54Å; L509-L512 PolarHBondContact O-N 2.93Å; L509-Q513 PolarHBondContact O-N 3.02Å; L509-L514 HydrophobicContact CD2-CB 4.19Å; L509-L514 HydrophobicContact CD2-CD1 4.34Å; L509-L514 PolarHBondContact O-N 2.78Å; L509-V516 HydrophobicContact CB-CG2 3.38Å; L509-V516 HydrophobicContact CD1-CG2 3.84Å; L509-V516 HydrophobicContact CG-CG2 4.25Å |
| 510 | E | 73.1 | Confident | 72.1 | Confident | 91 Ų | 91 | 67.2 Ų | 67.2 | 43% | 0.425 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.8 | -50.6 | 172.8 | -76.6 | -179.2 | -161 | 0 | 0 | 112.4 | R506 L508 L512 Q513 Q519 | R506-E510 WeakPolarHBondContact O-CG 3.41Å; R506-E510 PolarHBondContact O-N 3.02Å; L508-E510 VanDerWaalsContact C-N 3.29Å; L508-E510 PolarHBondContact O-N 3.27Å; E510-L512 PolarHBondContact O-N 3.5Å; E510-L512 VanDerWaalsContact O-N 3.16Å; E510-Q513 PolarHBondContact O-N 3.45Å; E510-Q519 PolarHBondContact OE1-NE2 2.84Å; E510-Q519 PolarHBondContact OE1-OE1 3.48Å |
| 511 | R | 67.7 | Low | 71.3 | Confident | 179 Ų | 179 | 66.1 Ų | 66.1 | 68% | 0.675 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58.8 | -27.2 | 175.9 | -70.4 | 166.3 | -159.2 | -174.9 | 7.6 | 112.8 | D507 L508 | D507-R511 WeakPolarHBondContact O-CD 3.36Å; D507-R511 WeakPolarHBondContact O-CG 3.39Å; D507-R511 PolarHBondContact O-N 3.43Å; D507-R511 PolarHBondContact O-NE 3.14Å; L508-R511 PolarHBondContact O-N 3.36Å |
| 512 | L | 64.1 | Low | 70.7 | Confident | 21 Ų | 21 | 69.5 Ų | 69.5 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -7.6 | 178.3 | -62.7 | 165.7 | 0 | 0 | 0 | 113.1 | L333 L508 L509 E510 L514 | L333-L512 HydrophobicContact CB-CD2 3.48Å; L333-L512 VanDerWaalsContact CB-CD2 3.48Å; L333-L512 HydrophobicContact CD1-CD1 3.38Å; L333-L512 HydrophobicContact CD1-CD2 3.62Å; L333-L512 HydrophobicContact CD1-CG 4.11Å; L333-L512 HydrophobicContact CG-CD2 4.08Å; L508-L512 HydrophobicContact CD1-CD1 4.17Å; L508-L512 HydrophobicContact CD1-CG 4.5Å; L508-L512 HydrophobicContact CG-CD1 3.94Å; L508-L512 WeakPolarHBondContact O-CB 3.43Å; L508-L512 VanDerWaalsContact O-CD1 3.28Å; L508-L512 WeakPolarHBondContact O-CD1 3.24Å; L508-L512 WeakPolarHBondContact O-CG 3.25Å; L508-L512 PolarHBondContact O-N 3.21Å; L508-L512 VanDerWaalsContact O-N 3.09Å; L509-L512 CarbonylContact O-C 3.54Å; L509-L512 PolarHBondContact O-N 2.93Å; E510-L512 PolarHBondContact O-N 3.5Å; E510-L512 VanDerWaalsContact O-N 3.16Å; L512-L514 HydrophobicContact CB-CB 4.42Å; L512-L514 HydrophobicContact CB-CD1 4.1Å; L512-L514 HydrophobicContact CB-CG 3.93Å; L512-L514 HydrophobicContact CD1-CD1 4.23Å; L512-L514 PolarHBondContact O-N 3.35Å; L512-L514 VanDerWaalsContact O-N 3.1Å |
| 513 | Q | 68.4 | Low | 70.9 | Confident | 84 Ų | 84 | 64.8 Ų | 64.8 | 39% | 0.393 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 21.9 | -171.9 | -62.3 | 176.9 | -21.4 | 0 | 0 | 113.8 | L509 E510 | L509-Q513 PolarHBondContact O-N 3.02Å; E510-Q513 PolarHBondContact O-N 3.45Å |
| 514 | L | 74.1 | Confident | 71.5 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 5% | 0.047 | 34% | 0.339 | C | S | . | . | trans | -80.4 | 149.2 | 172.5 | -67.1 | 178.6 | 0 | 0 | 0 | 109.8 | L495 I498 L509 L512 V516 R521 L528 | L495-L514 HydrophobicContact CD2-CD1 4.42Å; L495-L514 HydrophobicContact CD2-CD2 4.13Å; I498-L514 HydrophobicContact CG2-CD1 3.87Å; L509-L514 HydrophobicContact CD2-CB 4.19Å; L509-L514 HydrophobicContact CD2-CD1 4.34Å; L509-L514 PolarHBondContact O-N 2.78Å; L512-L514 HydrophobicContact CB-CB 4.42Å; L512-L514 HydrophobicContact CB-CD1 4.1Å; L512-L514 HydrophobicContact CB-CG 3.93Å; L512-L514 HydrophobicContact CD1-CD1 4.23Å; L512-L514 PolarHBondContact O-N 3.35Å; L512-L514 VanDerWaalsContact O-N 3.1Å; L514-V516 PolarHBondContact O-N 2.87Å; L514-R521 VanDerWaalsContact C-NH1 3.33Å; L514-R521 PolarHBondContact O-NH1 2.97Å; L514-R521 PolarHBondContact O-NH2 3.29Å; L514-L528 HydrophobicContact CD2-CD2 3.77Å | ||
| 515 | P | 63.5 | Low | 71.8 | Confident | 12 Ų | 12 | 65 Ų | 65 | 8% | 0.078 | 34% | 0.338 | C | S | . | . | trans | -57.3 | 136.2 | -179.6 | 19.6 | -29.7 | 0 | 0 | 0 | 112.3 | S499 Q560 | S499-P515 WeakPolarHBondContact CB-O 3.33Å; P515-Q560 HydrophobicContact CB-CB 4.06Å; P515-Q560 HydrophobicContact CG-CB 3.96Å | ||
| 516 | V | 65.9 | Low | 72.3 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | trans | -110.4 | 130.8 | 170.7 | 165.3 | 0 | 0 | 0 | 0 | 106.8 | R506 L509 L514 Q519 | R506-V516 HydrophobicContact CB-CG1 4.34Å; R506-V516 HydrophobicContact CG-CG1 3.9Å; L509-V516 HydrophobicContact CB-CG2 3.38Å; L509-V516 HydrophobicContact CD1-CG2 3.84Å; L509-V516 HydrophobicContact CG-CG2 4.25Å; L514-V516 PolarHBondContact O-N 2.87Å; V516-Q519 HydrophobicContact CB-CB 4.43Å; V516-Q519 HydrophobicContact CG1-CB 4.01Å | ||
| 517 | P | 64.8 | Low | 72.8 | Confident | 67 Ų | 67 | 61 Ų | 61 | 44% | 0.435 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 139 | 173.1 | -25.8 | 35.3 | 0 | 0 | 0 | 112.6 | R506 Q519 | R506-P517 PolarHBondContact NH2-O 3.43Å; P517-Q519 PolarHBondContact O-N 2.81Å |
| 518 | D | 63.1 | Low | 73.6 | Confident | 155 Ų | 155 | 56.7 Ų | 56.7 | 83% | 0.829 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 37.5 | 168.9 | -40.5 | -48.1 | 0 | 0 | 0 | 115.2 | ||
| 519 | Q | 67.6 | Low | 74.5 | Confident | 67 Ų | 67 | 56.1 Ų | 56.1 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | trans | -136.4 | 129.6 | 178.9 | -170.4 | -175 | 30.8 | 0 | 0 | 112 | E510 V516 P517 | E510-Q519 PolarHBondContact OE1-NE2 2.84Å; E510-Q519 PolarHBondContact OE1-OE1 3.48Å; V516-Q519 HydrophobicContact CB-CB 4.43Å; V516-Q519 HydrophobicContact CG1-CB 4.01Å; P517-Q519 PolarHBondContact O-N 2.81Å | ||
| 520 | E | 67.6 | Low | 75.4 | Confident | 151 Ų | 151 | 60.8 Ų | 60.8 | 71% | 0.706 | 33% | 0.325 | S | S | * | . | trans | -75 | 149.1 | 173.4 | -65.5 | -168.7 | 160.8 | 0 | 0 | 112.5 | S564 | E520-S564 VanDerWaalsContact CA-OG 3.29Å; E520-S564 WeakPolarHBondContact CA-OG 3.41Å | ||
| 521 | R | 68.3 | Low | 76.3 | Confident | 43 Ų | 43 | 58.9 Ų | 58.9 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | trans | -140.5 | 137.7 | -167.1 | -69.5 | -179.2 | 162.8 | -138 | -11.3 | 113.2 | L514 S564 I569 | L514-R521 VanDerWaalsContact C-NH1 3.33Å; L514-R521 PolarHBondContact O-NH1 2.97Å; L514-R521 PolarHBondContact O-NH2 3.29Å; R521-S564 PolarHBondContact N-OG 3.39Å; R521-I569 HydrophobicContact CB-CD1 4.2Å | ||
| 522 | G | 70.3 | Confident | 77.6 | Confident | 82 Ų | 82 | 50.4 Ų | 50.4 | 85% | 0.845 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -99.3 | -1.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 523 | S | 79.8 | Confident | 79.1 | Confident | 71 Ų | 71 | 49.7 Ų | 49.7 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | trans | -157.2 | 163 | 179.2 | 67.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 524 | Y | 86.9 | Confident | 80.3 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 4% | 0.039 | 28% | 0.276 | C | S | . | . | trans | -141.2 | 162 | -178 | 68 | -93.8 | 0 | 0 | 0 | 111.5 | V526 V529 S561 V562 I569 K571 H574 | Y524-V526 HydrophobicContact CE2-CG2 4.44Å; Y524-V526 PolarHBondContact O-N 3.06Å; Y524-V529 HydrophobicContact CD2-CB 4.06Å; Y524-V529 HydrophobicContact CD2-CG2 3.46Å; Y524-V529 VanDerWaalsContact CD2-CG2 3.46Å; Y524-V529 HydrophobicContact CE2-CB 3.79Å; Y524-V529 HydrophobicContact CE2-CG1 4.06Å; Y524-V529 HydrophobicContact CE2-CG2 3.69Å; Y524-S561 WeakPolarHBondContact CB-O 3.06Å; Y524-V562 HydrophobicContact CD1-CG1 4.27Å; Y524-V562 HydrophobicContact CD2-CG1 4.26Å; Y524-V562 HydrophobicContact CG-CG1 4.11Å; Y524-I569 HydrophobicContact CD1-CD1 4.16Å; Y524-I569 HydrophobicContact CD1-CG1 4.21Å; Y524-I569 WeakPolarHBondContact CE1-O 3.26Å; Y524-K571 HydrophobicContact CE1-CG 4.17Å; Y524-K571 WeakPolarHBondContact OH-CB 3.32Å; Y524-K571 WeakPolarHBondContact OH-CG 3.27Å; Y524-K571 PolarHBondContact OH-N 2.83Å; Y524-H574 AromaticContact CE2-CE1 3.92Å; Y524-H574 AromaticContact CE2-ND1 3.75Å; Y524-H574 AromaticContact CZ-ND1 3.94Å; Y524-H574 VanDerWaalsContact OH-CG 3.25Å; Y524-H574 PolarHBondContact OH-ND1 3.41Å | ||
| 525 | S | 86.5 | Confident | 81.3 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 5% | 0.049 | 27% | 0.273 | C | S | . | . | trans | -69 | 100.6 | 176.2 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | V527 L528 V529 | S525-V527 PolarHBondContact O-N 3.39Å; S525-L528 PolarHBondContact O-N 2.86Å; S525-L528 WeakPolarHBondContact OG-CB 3.47Å; S525-L528 PolarHBondContact OG-N 3.38Å; S525-V529 WeakPolarHBondContact O-CG2 3.46Å; S525-V529 PolarHBondContact O-N 3.09Å | ||
| 526 | V | 88.5 | Confident | 82.9 | Confident | 44 Ų | 44 | 48.9 Ų | 48.9 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -53.1 | -51.7 | 178.7 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | Y524 L528 V529 E530 | Y524-V526 HydrophobicContact CE2-CG2 4.44Å; Y524-V526 PolarHBondContact O-N 3.06Å; V526-L528 PolarHBondContact O-N 3.47Å; V526-V529 PolarHBondContact O-N 3.2Å; V526-E530 WeakPolarHBondContact CG1-OE1 3.42Å; V526-E530 WeakPolarHBondContact O-CG 3.37Å; V526-E530 PolarHBondContact O-N 3.4Å |
| 527 | V | 88.3 | Confident | 84.2 | Confident | 65 Ų | 65 | 51 Ų | 51 | 39% | 0.394 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | -178.6 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | Y476 S525 V529 E530 R531 | Y476-V527 HydrophobicContact CD1-CG1 4.15Å; Y476-V527 HydrophobicContact CD2-CG1 4.21Å; Y476-V527 HydrophobicContact CE1-CG1 4.2Å; Y476-V527 HydrophobicContact CE2-CG1 4.23Å; Y476-V527 HydrophobicContact CG-CG1 4.17Å; S525-V527 PolarHBondContact O-N 3.39Å; V527-V529 PolarHBondContact O-N 2.84Å; V527-E530 PolarHBondContact O-N 2.96Å; V527-R531 WeakPolarHBondContact O-CG 3.3Å; V527-R531 PolarHBondContact O-N 3.33Å; V527-R531 VanDerWaalsContact O-N 3.09Å |
| 528 | L | 89.4 | Confident | 85.6 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 178.3 | 178.6 | 57.6 | 0 | 0 | 0 | 111.1 | Y476 L479 L495 L514 S525 V526 E530 R531 L532 | Y476-L528 HydrophobicContact CE1-CB 4.22Å; Y476-L528 HydrophobicContact CE1-CD1 4.45Å; L479-L528 HydrophobicContact CD1-CD1 3.95Å; L495-L528 HydrophobicContact CD1-CD1 3.67Å; L495-L528 HydrophobicContact CD1-CD2 4.5Å; L514-L528 HydrophobicContact CD2-CD2 3.77Å; S525-L528 PolarHBondContact O-N 2.86Å; S525-L528 WeakPolarHBondContact OG-CB 3.47Å; S525-L528 PolarHBondContact OG-N 3.38Å; V526-L528 PolarHBondContact O-N 3.47Å; L528-E530 PolarHBondContact O-N 3.27Å; L528-R531 PolarHBondContact O-N 3.28Å; L528-R531 VanDerWaalsContact O-N 3.15Å; L528-L532 HydrophobicContact CD1-CD1 4.33Å; L528-L532 HydrophobicContact CD1-CG 4.18Å; L528-L532 HydrophobicContact CG-CD1 4.03Å; L528-L532 HydrophobicContact CG-CG 4.33Å; L528-L532 WeakPolarHBondContact O-CG 3.38Å; L528-L532 PolarHBondContact O-N 3.34Å |
| 529 | V | 92.2 | Very high | 87.1 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64 | -39.6 | 179.4 | 170 | 0 | 0 | 0 | 0 | 111.9 | Y524 S525 V526 V527 R531 L532 I533 L558 V562 H574 | Y524-V529 HydrophobicContact CD2-CB 4.06Å; Y524-V529 HydrophobicContact CD2-CG2 3.46Å; Y524-V529 VanDerWaalsContact CD2-CG2 3.46Å; Y524-V529 HydrophobicContact CE2-CB 3.79Å; Y524-V529 HydrophobicContact CE2-CG1 4.06Å; Y524-V529 HydrophobicContact CE2-CG2 3.69Å; S525-V529 WeakPolarHBondContact O-CG2 3.46Å; S525-V529 PolarHBondContact O-N 3.09Å; V526-V529 PolarHBondContact O-N 3.2Å; V527-V529 PolarHBondContact O-N 2.84Å; V529-R531 VanDerWaalsContact C-N 3.31Å; V529-R531 PolarHBondContact O-N 3.03Å; V529-L532 PolarHBondContact O-N 2.93Å; V529-I533 HydrophobicContact CG1-CD1 3.56Å; V529-I533 HydrophobicContact CG1-CG1 4.21Å; V529-I533 WeakPolarHBondContact O-CB 3.48Å; V529-I533 VanDerWaalsContact O-CG1 3.32Å; V529-I533 WeakPolarHBondContact O-CG1 3.32Å; V529-I533 PolarHBondContact O-N 3.05Å; V529-L558 HydrophobicContact CB-CD1 4.14Å; V529-L558 HydrophobicContact CG1-CD1 3.54Å; V529-L558 HydrophobicContact CG2-CD1 3.69Å; V529-V562 HydrophobicContact CG2-CG1 4.11Å; V529-H574 HydrophobicContact CG1-CB 4.29Å; V529-H574 WeakPolarHBondContact CG1-ND1 3.33Å |
| 530 | E | 92.9 | Very high | 88.3 | Confident | 102 Ų | 102 | 40.3 Ų | 40.3 | 48% | 0.477 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.6 | -43 | 172.1 | -74 | 171.7 | -170.2 | 0 | 0 | 111.8 | V526 V527 L528 R534 | V526-E530 WeakPolarHBondContact CG1-OE1 3.42Å; V526-E530 WeakPolarHBondContact O-CG 3.37Å; V526-E530 PolarHBondContact O-N 3.4Å; V527-E530 PolarHBondContact O-N 2.96Å; L528-E530 PolarHBondContact O-N 3.27Å; E530-R534 WeakPolarHBondContact O-CB 3.38Å; E530-R534 PolarHBondContact O-N 2.92Å |
| 531 | R | 93 | Very high | 89.5 | Confident | 52 Ų | 52 | 36.6 Ų | 36.6 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.6 | -43.5 | 175.7 | -59 | -38.8 | -166.2 | 156.3 | 17.7 | 112.1 | Y476 L479 E480 V527 L528 V529 I533 R534 I535 | Y476-R531 HydrophobicContact CD1-CG 4.47Å; L479-R531 HydrophobicContact CB-CB 3.83Å; L479-R531 HydrophobicContact CB-CG 4.25Å; L479-R531 HydrophobicContact CD1-CB 4.12Å; E480-R531 VanDerWaalsContact CD-NH1 3.35Å; E480-R531 IonicContact OE1-CZ 3.8Å; E480-R531 IonicContact OE1-NH1 3.79Å; E480-R531 PolarHBondContact OE1-NH1 2.78Å; E480-R531 IonicContact OE1-NH2 3.36Å; E480-R531 PolarHBondContact OE1-NH2 3.2Å; V527-R531 WeakPolarHBondContact O-CG 3.3Å; V527-R531 PolarHBondContact O-N 3.33Å; V527-R531 VanDerWaalsContact O-N 3.09Å; L528-R531 PolarHBondContact O-N 3.28Å; L528-R531 VanDerWaalsContact O-N 3.15Å; V529-R531 VanDerWaalsContact C-N 3.31Å; V529-R531 PolarHBondContact O-N 3.03Å; R531-I533 PolarHBondContact O-N 3.08Å; R531-R534 WeakPolarHBondContact O-CB 3.48Å; R531-R534 PolarHBondContact O-N 2.88Å; R531-I535 WeakPolarHBondContact O-CG1 3.37Å; R531-I535 PolarHBondContact O-N 3.31Å |
| 532 | L | 95 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.9 | -45.4 | 177.7 | -68 | 173.6 | 0 | 0 | 0 | 111.9 | L492 L528 V529 R534 I535 M536 L557 L558 | L492-L532 HydrophobicContact CD2-CD2 3.42Å; L492-L532 VanDerWaalsContact CD2-CD2 3.42Å; L528-L532 HydrophobicContact CD1-CD1 4.33Å; L528-L532 HydrophobicContact CD1-CG 4.18Å; L528-L532 HydrophobicContact CG-CD1 4.03Å; L528-L532 HydrophobicContact CG-CG 4.33Å; L528-L532 WeakPolarHBondContact O-CG 3.38Å; L528-L532 PolarHBondContact O-N 3.34Å; V529-L532 PolarHBondContact O-N 2.93Å; L532-R534 VanDerWaalsContact C-N 3.3Å; L532-R534 PolarHBondContact O-N 3.32Å; L532-I535 PolarHBondContact O-N 3.46Å; L532-M536 WeakPolarHBondContact O-CG 3.28Å; L532-M536 PolarHBondContact O-N 3.38Å; L532-M536 VanDerWaalsContact O-N 3.11Å; L532-L557 HydrophobicContact CD1-CB 4.13Å; L532-L557 HydrophobicContact CD2-CB 4.36Å; L532-L558 HydrophobicContact CB-CB 4.5Å; L532-L558 HydrophobicContact CD1-CB 4.09Å |
| 533 | I | 95 | Very high | 90.9 | Very high | 7 Ų | 7 | 40.9 Ų | 40.9 | 4% | 0.036 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.4 | -33.3 | 176.7 | -66.4 | 169.7 | 0 | 0 | 0 | 111.1 | V529 R531 M536 N537 L558 H574 C577 | V529-I533 HydrophobicContact CG1-CD1 3.56Å; V529-I533 HydrophobicContact CG1-CG1 4.21Å; V529-I533 WeakPolarHBondContact O-CB 3.48Å; V529-I533 VanDerWaalsContact O-CG1 3.32Å; V529-I533 WeakPolarHBondContact O-CG1 3.32Å; V529-I533 PolarHBondContact O-N 3.05Å; R531-I533 PolarHBondContact O-N 3.08Å; I533-M536 WeakPolarHBondContact O-CB 3.36Å; I533-M536 PolarHBondContact O-N 3.18Å; I533-N537 PolarHBondContact O-N 2.94Å; I533-N537 PolarHBondContact O-ND2 2.96Å; I533-L558 HydrophobicContact CD1-CD2 4.37Å; I533-L558 HydrophobicContact CG1-CD2 3.78Å; I533-H574 HydrophobicContact CD1-CB 3.98Å; I533-H574 WeakPolarHBondContact CD1-O 3.41Å; I533-C577 HydrophobicContact CG2-CB 3.77Å |
| 534 | R | 93.9 | Very high | 91.1 | Very high | 87 Ų | 87 | 38 Ų | 38 | 33% | 0.328 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.5 | -40.4 | 171.5 | -178.7 | 176.1 | 171 | 146.9 | -18.5 | 112.1 | E480 E530 R531 L532 M536 N537 Q538 | E480-R534 PolarHBondContact O-NE 2.76Å; E480-R534 PolarHBondContact O-NH2 3.33Å; E480-R534 IonicContact OE2-CZ 3.14Å; E480-R534 IonicContact OE2-NH1 2.83Å; E480-R534 IonicContact OE2-NH2 3.96Å; E480-R534 PolarHBondContact OE2-NH2 3.08Å; E530-R534 WeakPolarHBondContact O-CB 3.38Å; E530-R534 PolarHBondContact O-N 2.92Å; R531-R534 WeakPolarHBondContact O-CB 3.48Å; R531-R534 PolarHBondContact O-N 2.88Å; L532-R534 VanDerWaalsContact C-N 3.3Å; L532-R534 PolarHBondContact O-N 3.32Å; R534-M536 VanDerWaalsContact C-N 3.33Å; R534-M536 PolarHBondContact O-N 3.1Å; R534-N537 PolarHBondContact O-N 2.9Å; R534-Q538 WeakPolarHBondContact O-CG 3.47Å; R534-Q538 PolarHBondContact O-N 3.01Å |
| 535 | I | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 174.6 | -62.1 | 176.2 | 0 | 0 | 0 | 110.9 | L479 A488 L492 R531 L532 Q538 A539 V546 T550 | L479-I535 HydrophobicContact CB-CD1 4.32Å; L479-I535 HydrophobicContact CD2-CD1 3.85Å; A488-I535 HydrophobicContact CB-CD1 4.47Å; L492-I535 HydrophobicContact CD1-CD1 4.17Å; L492-I535 HydrophobicContact CD2-CD1 4.49Å; R531-I535 WeakPolarHBondContact O-CG1 3.37Å; R531-I535 PolarHBondContact O-N 3.31Å; L532-I535 PolarHBondContact O-N 3.46Å; I535-Q538 PolarHBondContact O-N 3.09Å; I535-A539 WeakPolarHBondContact O-CB 3.42Å; I535-A539 PolarHBondContact O-N 3.06Å; I535-V546 HydrophobicContact CG2-CG1 3.95Å; I535-T550 HydrophobicContact CG2-CG2 4.37Å |
| 536 | M | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 175.9 | -65.8 | 169.9 | -169.3 | 0 | 0 | 112.1 | L532 I533 R534 A539 A540 L551 S554 C555 L558 L578 A581 L662 L665 | L532-M536 WeakPolarHBondContact O-CG 3.28Å; L532-M536 PolarHBondContact O-N 3.38Å; L532-M536 VanDerWaalsContact O-N 3.11Å; I533-M536 WeakPolarHBondContact O-CB 3.36Å; I533-M536 PolarHBondContact O-N 3.18Å; R534-M536 VanDerWaalsContact C-N 3.33Å; R534-M536 PolarHBondContact O-N 3.1Å; M536-A539 PolarHBondContact O-N 3.42Å; M536-A540 PolarHBondContact O-N 2.99Å; M536-L551 HydrophobicContact CB-CD1 4.28Å; M536-L551 HydrophobicContact CG-CD1 3.81Å; M536-S554 VanDerWaalsContact CE-C 3.48Å; M536-S554 VanDerWaalsContact CE-O 3.3Å; M536-S554 WeakPolarHBondContact CE-O 3.41Å; M536-C555 HydrophobicContact CE-CB 4.39Å; M536-L558 HydrophobicContact CE-CB 3.78Å; M536-L558 HydrophobicContact CE-CD2 3.59Å; M536-L558 HydrophobicContact CE-CG 4.32Å; M536-L558 HydrophobicContact SD-CD2 3.77Å; M536-L578 HydrophobicContact SD-CD1 3.63Å; M536-A581 HydrophobicContact CB-CB 4.26Å; M536-L662 HydrophobicContact CB-CD2 3.79Å; M536-L662 HydrophobicContact CG-CD2 3.75Å; M536-L662 HydrophobicContact SD-CD2 4.01Å; M536-L665 HydrophobicContact CE-CD2 3.85Å; M536-L665 HydrophobicContact SD-CD2 4.09Å |
| 537 | N | 93.9 | Very high | 91.9 | Very high | 55 Ų | 55 | 41 Ų | 41 | 29% | 0.294 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 173.4 | -80.7 | -84.8 | 0 | 0 | 0 | 111.7 | I533 R534 A539 A540 C577 | I533-N537 PolarHBondContact O-N 2.94Å; I533-N537 PolarHBondContact O-ND2 2.96Å; R534-N537 PolarHBondContact O-N 2.9Å; N537-A539 VanDerWaalsContact C-N 3.26Å; N537-A539 PolarHBondContact O-N 3.13Å; N537-A540 PolarHBondContact O-N 2.87Å; N537-A540 VanDerWaalsContact O-N 3.16Å; N537-C577 PolarHBondContact ND2-O 2.96Å |
| 538 | Q | 93.5 | Very high | 92.2 | Very high | 63 Ų | 63 | 38.1 Ų | 38.1 | 29% | 0.294 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.4 | -29.7 | 176.3 | -69.7 | -61.7 | -32.6 | 0 | 0 | 113.1 | R534 I535 G544 V546 | R534-Q538 WeakPolarHBondContact O-CG 3.47Å; R534-Q538 PolarHBondContact O-N 3.01Å; I535-Q538 PolarHBondContact O-N 3.09Å; Q538-G544 WeakPolarHBondContact O-CA 3.49Å; Q538-V546 HydrophobicContact CB-CG2 3.92Å |
| 539 | A | 94.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -73.7 | -26.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | I535 M536 N537 V546 L551 K654 V658 | I535-A539 WeakPolarHBondContact O-CB 3.42Å; I535-A539 PolarHBondContact O-N 3.06Å; M536-A539 PolarHBondContact O-N 3.42Å; N537-A539 VanDerWaalsContact C-N 3.26Å; N537-A539 PolarHBondContact O-N 3.13Å; A539-V546 HydrophobicContact CB-CB 3.94Å; A539-V546 HydrophobicContact CB-CG1 4.09Å; A539-V546 HydrophobicContact CB-CG2 4.3Å; A539-L551 HydrophobicContact CB-CB 4.42Å; A539-L551 HydrophobicContact CB-CD1 3.86Å; A539-L551 HydrophobicContact CB-CD2 3.96Å; A539-L551 HydrophobicContact CB-CG 4.3Å; A539-K654 WeakPolarHBondContact O-CE 3.39Å; A539-V658 HydrophobicContact CB-CG1 4.46Å |
| 540 | A | 94.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -80.1 | -11.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | M536 N537 E584 L588 V658 | M536-A540 PolarHBondContact O-N 2.99Å; N537-A540 PolarHBondContact O-N 2.87Å; N537-A540 VanDerWaalsContact O-N 3.16Å; A540-E584 HydrophobicContact CB-CB 4.13Å; A540-L588 WeakPolarHBondContact O-CD2 3.38Å; A540-V658 HydrophobicContact CB-CG1 4.41Å |
| 541 | L | 91.2 | Very high | 92.7 | Very high | 73 Ų | 73 | 33 Ų | 33 | 38% | 0.382 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -75.9 | 146 | 178.9 | -64.6 | 178.6 | 0 | 0 | 0 | 112.9 | D543 G544 | L541-D543 VanDerWaalsContact C-N 3.29Å; L541-D543 PolarHBondContact O-N 2.98Å; L541-G544 PolarHBondContact O-N 3.3Å |
| 542 | P | 85.6 | Confident | 92.8 | Very high | 86 Ų | 86 | 32.3 Ų | 32.3 | 56% | 0.558 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -32 | -176.4 | -24.8 | 31.1 | 0 | 0 | 0 | 116.4 | L588 K651 | P542-L588 HydrophobicContact CB-CD1 3.98Å; P542-L588 HydrophobicContact CG-CD1 3.95Å; P542-K651 PolarHBondContact O-NZ 3.41Å |
| 543 | D | 83.4 | Confident | 92.8 | Very high | 129 Ų | 129 | 32.3 Ų | 32.3 | 69% | 0.69 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | 20.5 | 176.2 | -67.9 | -49.9 | 0 | 0 | 0 | 112 | L541 K545 K651 | L541-D543 VanDerWaalsContact C-N 3.29Å; L541-D543 PolarHBondContact O-N 2.98Å; D543-K545 PolarHBondContact O-N 2.76Å; D543-K651 IonicContact OD1-NZ 2.72Å; D543-K651 PolarHBondContact OD1-NZ 3.13Å |
| 544 | G | 84.7 | Confident | 92.9 | Very high | 10 Ų | 10 | 32 Ų | 32 | 10% | 0.103 | 16% | 0.162 | C | C | . | . | trans | -62.2 | 118.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q538 L541 V546 K654 | Q538-G544 WeakPolarHBondContact O-CA 3.49Å; L541-G544 PolarHBondContact O-N 3.3Å; G544-V546 PolarHBondContact O-N 2.95Å; G544-V546 VanDerWaalsContact O-N 3.17Å; G544-K654 PolarHBondContact O-NZ 3.29Å | ||
| 545 | K | 89.6 | Confident | 92.9 | Very high | 116 Ų | 116 | 28.4 Ų | 28.4 | 50% | 0.504 | 15% | 0.151 | S | C | . | . | trans | -85.3 | 28.5 | -176.5 | -67.8 | 167.7 | 172.5 | -178.7 | 0 | 114.5 | N483 D543 L644 | N483-K545 WeakPolarHBondContact O-CD 3.44Å; N483-K545 PolarHBondContact O-NZ 3.24Å; N483-K545 VanDerWaalsContact O-NZ 3.09Å; D543-K545 PolarHBondContact O-N 2.76Å; K545-L644 HydrophobicContact CB-CD2 4.5Å; K545-L644 WeakPolarHBondContact O-CD2 3.47Å | ||
| 546 | V | 94.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | trans | -89 | 129 | 173.3 | -172.3 | 0 | 0 | 0 | 0 | 109.6 | D485 I535 Q538 A539 G544 T550 K654 | D485-V546 HydrophobicContact CB-CG1 4.48Å; I535-V546 HydrophobicContact CG2-CG1 3.95Å; Q538-V546 HydrophobicContact CB-CG2 3.92Å; A539-V546 HydrophobicContact CB-CB 3.94Å; A539-V546 HydrophobicContact CB-CG1 4.09Å; A539-V546 HydrophobicContact CB-CG2 4.3Å; G544-V546 PolarHBondContact O-N 2.95Å; G544-V546 VanDerWaalsContact O-N 3.17Å; V546-T550 HydrophobicContact CG1-CG2 4.08Å; V546-K654 PolarHBondContact O-NZ 2.72Å | ||
| 547 | R | 94.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | trans | -74.8 | 157.1 | 173.1 | -65.2 | 173.6 | -84 | 177.1 | 0.1 | 110.7 | D485 A549 T550 L551 K642 L644 | D485-R547 PolarHBondContact O-NH2 3.12Å; D485-R547 IonicContact OD1-CZ 2.76Å; D485-R547 VanDerWaalsContact OD1-CZ 3.25Å; D485-R547 IonicContact OD1-NE 3.72Å; D485-R547 PolarHBondContact OD1-NE 2.95Å; D485-R547 IonicContact OD1-NH2 2.9Å; D485-R547 PolarHBondContact OD1-NH2 2.77Å; D485-R547 WeakPolarHBondContact OD2-CB 3.3Å; D485-R547 PolarHBondContact OD2-N 3.34Å; D485-R547 IonicContact OD2-NE 2.8Å; D485-R547 PolarHBondContact OD2-NE 3.36Å; R547-A549 PolarHBondContact O-N 3.11Å; R547-T550 PolarHBondContact O-N 3.25Å; R547-L551 PolarHBondContact O-N 2.93Å; R547-K642 WeakPolarHBondContact CD-O 3.49Å; R547-L644 HydrophobicContact CG-CD2 3.99Å | ||
| 548 | L | 94.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.5 | -39.6 | -179.6 | -66.8 | 176.3 | 0 | 0 | 0 | 112.1 | T550 L551 E552 F640 V641 K654 R657 V658 M661 | L548-T550 VanDerWaalsContact C-N 3.3Å; L548-T550 PolarHBondContact O-N 2.98Å; L548-L551 PolarHBondContact O-N 2.9Å; L548-E552 WeakPolarHBondContact O-CB 3.24Å; L548-E552 PolarHBondContact O-N 3.41Å; L548-F640 HydrophobicContact CD1-CD1 4.05Å; L548-F640 HydrophobicContact CD1-CE1 3.67Å; L548-F640 HydrophobicContact CD1-CZ 4.19Å; L548-V641 HydrophobicContact CB-CG1 4.03Å; L548-V641 PolarHBondContact N-O 3.46Å; L548-K654 HydrophobicContact CD2-CG 4.21Å; L548-R657 HydrophobicContact CD1-CB 4.13Å; L548-R657 HydrophobicContact CD1-CG 3.98Å; L548-R657 HydrophobicContact CD2-CB 3.66Å; L548-R657 HydrophobicContact CD2-CG 4.41Å; L548-V658 HydrophobicContact CD2-CG2 4.35Å; L548-M661 HydrophobicContact CD2-SD 4.4Å |
| 549 | A | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -54.9 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L489 R547 E552 L553 L615 L620 V641 | L489-A549 HydrophobicContact CD1-CB 4.44Å; R547-A549 PolarHBondContact O-N 3.11Å; A549-E552 PolarHBondContact O-N 3.06Å; A549-L553 WeakPolarHBondContact O-CB 3.46Å; A549-L553 PolarHBondContact O-N 3.04Å; A549-L615 HydrophobicContact CB-CD1 4.49Å; A549-L620 HydrophobicContact CB-CD2 4.49Å; A549-V641 HydrophobicContact CB-CG1 4.14Å; A549-V641 PolarHBondContact N-O 2.99Å |
| 550 | T | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.6 | -42.3 | 179.4 | -45.5 | 0 | 0 | 0 | 0 | 111.7 | D485 L489 L492 I535 V546 R547 L548 S554 | D485-T550 HydrophobicContact CB-CG2 4.01Å; D485-T550 VanDerWaalsContact OD2-CB 3.24Å; D485-T550 WeakPolarHBondContact OD2-CB 3.29Å; D485-T550 PolarHBondContact OD2-OG1 2.98Å; L489-T550 HydrophobicContact CB-CG2 4.48Å; L492-T550 HydrophobicContact CD1-CG2 3.59Å; I535-T550 HydrophobicContact CG2-CG2 4.37Å; V546-T550 HydrophobicContact CG1-CG2 4.08Å; R547-T550 PolarHBondContact O-N 3.25Å; L548-T550 VanDerWaalsContact C-N 3.3Å; L548-T550 PolarHBondContact O-N 2.98Å; T550-S554 WeakPolarHBondContact O-CB 3.35Å; T550-S554 PolarHBondContact O-N 3.23Å; T550-S554 PolarHBondContact O-OG 3.46Å |
| 551 | L | 95.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.3 | -43.3 | 175.3 | -179.1 | 63.8 | 0 | 0 | 0 | 111.4 | M536 A539 R547 L548 L553 S554 C555 V658 M661 L662 | M536-L551 HydrophobicContact CB-CD1 4.28Å; M536-L551 HydrophobicContact CG-CD1 3.81Å; A539-L551 HydrophobicContact CB-CB 4.42Å; A539-L551 HydrophobicContact CB-CD1 3.86Å; A539-L551 HydrophobicContact CB-CD2 3.96Å; A539-L551 HydrophobicContact CB-CG 4.3Å; R547-L551 PolarHBondContact O-N 2.93Å; L548-L551 PolarHBondContact O-N 2.9Å; L551-L553 PolarHBondContact O-N 3.33Å; L551-S554 WeakPolarHBondContact O-CB 3.4Å; L551-S554 PolarHBondContact O-N 2.98Å; L551-C555 PolarHBondContact O-N 2.96Å; L551-C555 PolarHBondContact O-SG 3.47Å; L551-V658 HydrophobicContact CD2-CB 4.07Å; L551-V658 HydrophobicContact CD2-CG1 3.87Å; L551-V658 HydrophobicContact CD2-CG2 3.79Å; L551-M661 HydrophobicContact CB-CE 3.98Å; L551-M661 HydrophobicContact CD2-CB 4.42Å; L551-M661 HydrophobicContact CD2-CE 3.95Å; L551-M661 HydrophobicContact CD2-SD 4.06Å; L551-M661 HydrophobicContact CG-CE 3.82Å; L551-L662 HydrophobicContact CD1-CD2 4.28Å |
| 552 | E | 95.3 | Very high | 91.7 | Very high | 37 Ų | 37 | 29 Ų | 29 | 17% | 0.173 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.6 | -44.7 | -178.7 | -159.9 | 168.7 | 153.6 | 0 | 0 | 111.2 | L548 A549 S554 C555 L556 L615 M661 | L548-E552 WeakPolarHBondContact O-CB 3.24Å; L548-E552 PolarHBondContact O-N 3.41Å; A549-E552 PolarHBondContact O-N 3.06Å; E552-S554 VanDerWaalsContact C-N 3.34Å; E552-S554 PolarHBondContact O-N 3.46Å; E552-C555 PolarHBondContact O-N 3.47Å; E552-L556 WeakPolarHBondContact O-CB 3.45Å; E552-L556 PolarHBondContact O-N 3.05Å; E552-L615 HydrophobicContact CB-CB 4.42Å; E552-L615 HydrophobicContact CB-CD2 4.18Å; E552-L615 HydrophobicContact CG-CB 4.01Å; E552-L615 VanDerWaalsContact OE1-CB 3.31Å; E552-L615 WeakPolarHBondContact OE1-CB 3.28Å; E552-L615 PolarHBondContact OE1-N 2.78Å; E552-M661 HydrophobicContact CB-CE 3.44Å; E552-M661 VanDerWaalsContact CB-CE 3.44Å; E552-M661 HydrophobicContact CG-CE 3.92Å; E552-M661 VanDerWaalsContact N-CE 3.29Å |
| 553 | L | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.2 | -33.8 | 175.1 | -167.7 | 53.7 | 0 | 0 | 0 | 112.4 | L492 Y496 A549 L551 L556 L557 L615 V617 | L492-L553 HydrophobicContact CB-CD2 3.68Å; L492-L553 HydrophobicContact CB-CG 3.93Å; Y496-L553 HydrophobicContact CD2-CD1 3.71Å; Y496-L553 HydrophobicContact CE2-CD1 4.45Å; Y496-L553 HydrophobicContact CG-CD1 4.07Å; A549-L553 WeakPolarHBondContact O-CB 3.46Å; A549-L553 PolarHBondContact O-N 3.04Å; L551-L553 PolarHBondContact O-N 3.33Å; L553-L556 HydrophobicContact CD1-CD2 4.43Å; L553-L556 PolarHBondContact O-N 3.45Å; L553-L557 HydrophobicContact CD1-CD1 4.45Å; L553-L557 HydrophobicContact CD1-CG 4.45Å; L553-L557 HydrophobicContact CG-CD1 4.2Å; L553-L557 WeakPolarHBondContact O-CB 3.49Å; L553-L557 WeakPolarHBondContact O-CG 3.39Å; L553-L557 PolarHBondContact O-N 3.11Å; L553-L615 HydrophobicContact CB-CD2 3.99Å; L553-V617 HydrophobicContact CD1-CG2 3.64Å; L553-V617 HydrophobicContact CD2-CG2 4.47Å |
| 554 | S | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.4 | -42.6 | 172.8 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | L492 M536 T550 L551 E552 L558 | L492-S554 VanDerWaalsContact CD1-OG 3.28Å; L492-S554 WeakPolarHBondContact CD1-OG 3.37Å; M536-S554 VanDerWaalsContact CE-C 3.48Å; M536-S554 VanDerWaalsContact CE-O 3.3Å; M536-S554 WeakPolarHBondContact CE-O 3.41Å; T550-S554 WeakPolarHBondContact O-CB 3.35Å; T550-S554 PolarHBondContact O-N 3.23Å; T550-S554 PolarHBondContact O-OG 3.46Å; L551-S554 WeakPolarHBondContact O-CB 3.4Å; L551-S554 PolarHBondContact O-N 2.98Å; E552-S554 VanDerWaalsContact C-N 3.34Å; E552-S554 PolarHBondContact O-N 3.46Å; S554-L558 WeakPolarHBondContact O-CB 3.29Å; S554-L558 PolarHBondContact O-N 3.5Å |
| 555 | C | 95.1 | Very high | 91.3 | Very high | 13 Ų | 13 | 24.5 Ų | 24.5 | 9% | 0.088 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 175.8 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | M536 L551 E552 K559 L665 | M536-C555 HydrophobicContact CE-CB 4.39Å; L551-C555 PolarHBondContact O-N 2.96Å; L551-C555 PolarHBondContact O-SG 3.47Å; E552-C555 PolarHBondContact O-N 3.47Å; C555-K559 WeakPolarHBondContact O-CB 3.49Å; C555-K559 PolarHBondContact O-N 3.42Å; C555-L665 HydrophobicContact CB-CD2 3.95Å |
| 556 | L | 92.8 | Very high | 90.5 | Very high | 50 Ų | 50 | 23.9 Ų | 23.9 | 26% | 0.262 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.5 | -49.5 | 177 | -175.7 | 155.2 | 0 | 0 | 0 | 111.4 | Y496 E552 L553 L558 K559 Q560 | Y496-L556 HydrophobicContact CD2-CD2 3.68Å; Y496-L556 HydrophobicContact CE2-CD1 4.33Å; Y496-L556 HydrophobicContact CE2-CD2 3.64Å; E552-L556 WeakPolarHBondContact O-CB 3.45Å; E552-L556 PolarHBondContact O-N 3.05Å; L553-L556 HydrophobicContact CD1-CD2 4.43Å; L553-L556 PolarHBondContact O-N 3.45Å; L556-L558 PolarHBondContact O-N 2.94Å; L556-K559 PolarHBondContact O-N 3.2Å; L556-Q560 HydrophobicContact CD2-CG 4.36Å; L556-Q560 WeakPolarHBondContact O-CG 3.25Å; L556-Q560 PolarHBondContact O-N 2.9Å |
| 557 | L | 91.8 | Very high | 90 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.4 | -36.5 | 179.3 | -75.1 | 170.4 | 0 | 0 | 0 | 112.4 | L492 L495 Y496 L532 L553 S561 | L492-L557 HydrophobicContact CB-CD1 4.08Å; L492-L557 HydrophobicContact CD2-CD1 3.74Å; L495-L557 HydrophobicContact CB-CD1 4.4Å; Y496-L557 HydrophobicContact CD2-CD2 4.47Å; L532-L557 HydrophobicContact CD1-CB 4.13Å; L532-L557 HydrophobicContact CD2-CB 4.36Å; L553-L557 HydrophobicContact CD1-CD1 4.45Å; L553-L557 HydrophobicContact CD1-CG 4.45Å; L553-L557 HydrophobicContact CG-CD1 4.2Å; L553-L557 WeakPolarHBondContact O-CB 3.49Å; L553-L557 WeakPolarHBondContact O-CG 3.39Å; L553-L557 PolarHBondContact O-N 3.11Å; L557-S561 VanDerWaalsContact O-CB 3.32Å; L557-S561 WeakPolarHBondContact O-CB 3.47Å; L557-S561 PolarHBondContact O-N 3.32Å; L557-S561 PolarHBondContact O-OG 2.83Å |
| 558 | L | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -50.2 | 173.7 | 179.1 | 51.7 | 0 | 0 | 0 | 110.4 | V529 L532 I533 M536 S554 L556 Q560 S561 V562 L578 L665 | V529-L558 HydrophobicContact CB-CD1 4.14Å; V529-L558 HydrophobicContact CG1-CD1 3.54Å; V529-L558 HydrophobicContact CG2-CD1 3.69Å; L532-L558 HydrophobicContact CB-CB 4.5Å; L532-L558 HydrophobicContact CD1-CB 4.09Å; I533-L558 HydrophobicContact CD1-CD2 4.37Å; I533-L558 HydrophobicContact CG1-CD2 3.78Å; M536-L558 HydrophobicContact CE-CB 3.78Å; M536-L558 HydrophobicContact CE-CD2 3.59Å; M536-L558 HydrophobicContact CE-CG 4.32Å; M536-L558 HydrophobicContact SD-CD2 3.77Å; S554-L558 WeakPolarHBondContact O-CB 3.29Å; S554-L558 PolarHBondContact O-N 3.5Å; L556-L558 PolarHBondContact O-N 2.94Å; L558-Q560 VanDerWaalsContact C-N 3.34Å; L558-Q560 PolarHBondContact O-N 3.4Å; L558-S561 PolarHBondContact O-N 3.03Å; L558-V562 HydrophobicContact CD1-CG1 3.96Å; L558-V562 WeakPolarHBondContact O-CG2 3.4Å; L558-V562 PolarHBondContact O-N 3.02Å; L558-L578 HydrophobicContact CD2-CD1 4.44Å; L558-L578 HydrophobicContact CD2-CD2 4.41Å; L558-L665 HydrophobicContact CB-CD2 4.48Å; L558-L665 HydrophobicContact CD2-CD2 4.04Å; L558-L665 HydrophobicContact CG-CD2 4.45Å |
| 559 | K | 91.3 | Very high | 89.5 | Confident | 80 Ų | 80 | 33.6 Ų | 33.6 | 35% | 0.348 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -52.6 | -50.4 | 177.3 | -177.8 | -178.3 | 174.8 | 177 | 0 | 111.7 | C555 L556 S561 V562 L563 L665 Q668 | C555-K559 WeakPolarHBondContact O-CB 3.49Å; C555-K559 PolarHBondContact O-N 3.42Å; L556-K559 PolarHBondContact O-N 3.2Å; K559-S561 VanDerWaalsContact C-N 3.29Å; K559-S561 PolarHBondContact O-N 3.28Å; K559-V562 PolarHBondContact O-N 2.89Å; K559-L563 HydrophobicContact CD-CD1 4.21Å; K559-L563 HydrophobicContact CG-CD1 3.56Å; K559-L563 HydrophobicContact CG-CG 4.17Å; K559-L563 WeakPolarHBondContact O-CB 3.41Å; K559-L563 WeakPolarHBondContact O-CG 3.33Å; K559-L563 PolarHBondContact O-N 2.87Å; K559-L665 HydrophobicContact CB-CD1 3.83Å; K559-L665 HydrophobicContact CG-CD1 4.47Å; K559-Q668 VanDerWaalsContact CE-OE1 3.25Å |
| 560 | Q | 88.4 | Confident | 89.3 | Confident | 64 Ų | 64 | 34.6 Ų | 34.6 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.6 | -30.3 | 179 | -71 | 178.7 | -26.1 | 0 | 0 | 113.3 | H500 P515 L556 L558 | H500-Q560 PolarHBondContact CE1-NE2 3.39Å; H500-Q560 VanDerWaalsContact CE1-NE2 3.34Å; H500-Q560 PolarHBondContact CE1-OE1 3.19Å; H500-Q560 PolarHBondContact NE2-NE2 2.79Å; P515-Q560 HydrophobicContact CB-CB 4.06Å; P515-Q560 HydrophobicContact CG-CB 3.96Å; L556-Q560 HydrophobicContact CD2-CG 4.36Å; L556-Q560 WeakPolarHBondContact O-CG 3.25Å; L556-Q560 PolarHBondContact O-N 2.9Å; L558-Q560 VanDerWaalsContact C-N 3.34Å; L558-Q560 PolarHBondContact O-N 3.4Å |
| 561 | S | 87.1 | Confident | 89.1 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 4% | 0.035 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75.7 | -22.9 | -179.8 | -59.7 | 0 | 0 | 0 | 0 | 113.6 | Y524 L557 L558 K559 | Y524-S561 WeakPolarHBondContact CB-O 3.06Å; L557-S561 VanDerWaalsContact O-CB 3.32Å; L557-S561 WeakPolarHBondContact O-CB 3.47Å; L557-S561 PolarHBondContact O-N 3.32Å; L557-S561 PolarHBondContact O-OG 2.83Å; L558-S561 PolarHBondContact O-N 3.03Å; K559-S561 VanDerWaalsContact C-N 3.29Å; K559-S561 PolarHBondContact O-N 3.28Å |
| 562 | V | 89.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -124 | -7.9 | -172.6 | -51.2 | 0 | 0 | 0 | 0 | 115.5 | Y524 V529 L558 K559 C568 I569 I570 L669 | Y524-V562 HydrophobicContact CD1-CG1 4.27Å; Y524-V562 HydrophobicContact CD2-CG1 4.26Å; Y524-V562 HydrophobicContact CG-CG1 4.11Å; V529-V562 HydrophobicContact CG2-CG1 4.11Å; L558-V562 HydrophobicContact CD1-CG1 3.96Å; L558-V562 WeakPolarHBondContact O-CG2 3.4Å; L558-V562 PolarHBondContact O-N 3.02Å; K559-V562 PolarHBondContact O-N 2.89Å; V562-C568 WeakPolarHBondContact O-CA 3.47Å; V562-I569 VanDerWaalsContact O-CG1 3.31Å; V562-I569 WeakPolarHBondContact O-CG1 3.39Å; V562-I569 PolarHBondContact O-N 3.06Å; V562-I570 HydrophobicContact CB-CB 4.15Å; V562-I570 HydrophobicContact CG1-CB 4.35Å; V562-I570 HydrophobicContact CG1-CG1 4.45Å; V562-I570 HydrophobicContact CG2-CB 4.29Å; V562-L669 HydrophobicContact CG2-CD1 3.89Å; V562-L669 HydrophobicContact CG2-CD2 3.63Å; V562-L669 HydrophobicContact CG2-CG 4.42Å |
| 563 | L | 86.6 | Confident | 88.8 | Confident | 51 Ų | 51 | 49.4 Ų | 49.4 | 27% | 0.267 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125.8 | 169.7 | -66.1 | -173.8 | 0 | 0 | 0 | 111.1 | K559 C568 L669 | K559-L563 HydrophobicContact CD-CD1 4.21Å; K559-L563 HydrophobicContact CG-CD1 3.56Å; K559-L563 HydrophobicContact CG-CG 4.17Å; K559-L563 WeakPolarHBondContact O-CB 3.41Å; K559-L563 WeakPolarHBondContact O-CG 3.33Å; K559-L563 PolarHBondContact O-N 2.87Å; L563-C568 HydrophobicContact CD2-CB 3.76Å; L563-L669 HydrophobicContact CD1-CD2 4.3Å; L563-L669 HydrophobicContact CD2-CD2 3.71Å; L563-L669 HydrophobicContact CG-CD2 3.82Å |
| 564 | S | 81.4 | Confident | 88.8 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 8% | 0.077 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 95.3 | 176 | 173.5 | 0 | 0 | 0 | 0 | 108.4 | E520 R521 S566 H567 | E520-S564 VanDerWaalsContact CA-OG 3.29Å; E520-S564 WeakPolarHBondContact CA-OG 3.41Å; R521-S564 PolarHBondContact N-OG 3.39Å; S564-S566 PolarHBondContact O-N 2.75Å; S564-H567 PolarHBondContact N-O 3.46Å; S564-H567 PolarHBondContact O-N 3.39Å |
| 565 | G | 75.9 | Confident | 88.7 | Confident | 70 Ų | 70 | 52.2 Ų | 52.2 | 72% | 0.722 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | -117.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 566 | S | 73.6 | Confident | 88.7 | Confident | 103 Ų | 103 | 54.6 Ų | 54.6 | 72% | 0.72 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -2.2 | 175.8 | 47.1 | 0 | 0 | 0 | 0 | 114.9 | S564 | S564-S566 PolarHBondContact O-N 2.75Š|
| 567 | H | 82 | Confident | 88.8 | Confident | 126 Ų | 126 | 55.3 Ų | 55.3 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 140.5 | -170.4 | -61.4 | -58.9 | 0 | 0 | 0 | 112.7 | S564 | S564-H567 PolarHBondContact N-O 3.46Å; S564-H567 PolarHBondContact O-N 3.39Å |
| 568 | C | 87.9 | Confident | 89 | Confident | 45 Ų | 45 | 55.1 Ų | 55.1 | 30% | 0.304 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.4 | 176.1 | -168.3 | 0 | 0 | 0 | 0 | 109.6 | V562 L563 I570 L669 | V562-C568 WeakPolarHBondContact O-CA 3.47Å; L563-C568 HydrophobicContact CD2-CB 3.76Å; C568-I570 WeakPolarHBondContact SG-CG2 3.48Å; C568-L669 VanDerWaalsContact CB-O 3.23Å; C568-L669 WeakPolarHBondContact CB-O 3.43Å; C568-L669 PolarHBondContact SG-O 3.41Å; C568-L669 VanDerWaalsContact SG-O 3.35Å |
| 569 | I | 90.4 | Very high | 89.1 | Confident | 45 Ų | 45 | 56.2 Ų | 56.2 | 23% | 0.231 | 33% | 0.329 | C | S | . | . | trans | -103.5 | 15 | -177.5 | 62.3 | 161 | 0 | 0 | 0 | 113.3 | R521 Y524 V562 | R521-I569 HydrophobicContact CB-CD1 4.2Å; Y524-I569 HydrophobicContact CD1-CD1 4.16Å; Y524-I569 HydrophobicContact CD1-CG1 4.21Å; Y524-I569 WeakPolarHBondContact CE1-O 3.26Å; V562-I569 VanDerWaalsContact O-CG1 3.31Å; V562-I569 WeakPolarHBondContact O-CG1 3.39Å; V562-I569 PolarHBondContact O-N 3.06Å | ||
| 570 | I | 91.4 | Very high | 89.3 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 11% | 0.108 | 33% | 0.326 | C | S | . | . | trans | -65.2 | 138.7 | 179.3 | -164.5 | 167.8 | 0 | 0 | 0 | 111.2 | V562 C568 H574 L575 L669 | V562-I570 HydrophobicContact CB-CB 4.15Å; V562-I570 HydrophobicContact CG1-CB 4.35Å; V562-I570 HydrophobicContact CG1-CG1 4.45Å; V562-I570 HydrophobicContact CG2-CB 4.29Å; C568-I570 WeakPolarHBondContact SG-CG2 3.48Å; I570-H574 HydrophobicContact CD1-CB 4.05Å; I570-H574 HydrophobicContact CG1-CB 3.75Å; I570-L575 HydrophobicContact CD1-CB 4.37Å; I570-L575 HydrophobicContact CG2-CB 4.17Å; I570-L575 HydrophobicContact CG2-CD1 4.43Å; I570-L669 HydrophobicContact CD1-CD1 3.93Å | ||
| 571 | K | 91.4 | Very high | 89.7 | Confident | 106 Ų | 106 | 50.7 Ų | 50.7 | 46% | 0.461 | 31% | 0.312 | S | S | . | . | trans | -74.9 | 144.6 | 173.1 | -65.7 | 175.2 | -179.6 | -177.3 | 0 | 111 | Y524 V573 H574 L575 | Y524-K571 HydrophobicContact CE1-CG 4.17Å; Y524-K571 WeakPolarHBondContact OH-CB 3.32Å; Y524-K571 WeakPolarHBondContact OH-CG 3.27Å; Y524-K571 PolarHBondContact OH-N 2.83Å; K571-V573 PolarHBondContact O-N 3.27Å; K571-V573 VanDerWaalsContact O-N 3.09Å; K571-H574 WeakPolarHBondContact O-CA 3.31Å; K571-H574 WeakPolarHBondContact O-CB 3.45Å; K571-H574 PolarHBondContact O-N 3.26Å; K571-L575 PolarHBondContact O-N 3.42Å | ||
| 572 | D | 91.6 | Very high | 90.1 | Very high | 137 Ų | 137 | 53.4 Ų | 53.4 | 73% | 0.733 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -48.2 | -41.2 | 178.2 | -58.4 | -17.3 | 0 | 0 | 0 | 113.9 | H574 L575 A576 | D572-H574 VanDerWaalsContact C-N 3.34Å; D572-H574 PolarHBondContact O-N 3.3Å; D572-L575 PolarHBondContact O-N 2.79Å; D572-A576 WeakPolarHBondContact O-CB 3.23Å; D572-A576 PolarHBondContact O-N 3.37Å |
| 573 | V | 93.8 | Very high | 90.4 | Very high | 106 Ų | 106 | 58.2 Ų | 58.2 | 64% | 0.642 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.5 | -41.7 | 177.2 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | K571 C577 | K571-V573 PolarHBondContact O-N 3.27Å; K571-V573 VanDerWaalsContact O-N 3.09Å; V573-C577 PolarHBondContact O-N 2.71Å; V573-C577 VanDerWaalsContact O-N 3.11Å; V573-C577 PolarHBondContact O-SG 3.47Å |
| 574 | H | 94.1 | Very high | 90.8 | Very high | 15 Ų | 15 | 60.9 Ų | 60.9 | 7% | 0.069 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -74.3 | -38.8 | 179.7 | -68.2 | -133.7 | 0 | 0 | 0 | 110.6 | Y524 V529 I533 I570 K571 D572 C577 L578 | Y524-H574 AromaticContact CE2-CE1 3.92Å; Y524-H574 AromaticContact CE2-ND1 3.75Å; Y524-H574 AromaticContact CZ-ND1 3.94Å; Y524-H574 VanDerWaalsContact OH-CG 3.25Å; Y524-H574 PolarHBondContact OH-ND1 3.41Å; V529-H574 HydrophobicContact CG1-CB 4.29Å; V529-H574 WeakPolarHBondContact CG1-ND1 3.33Å; I533-H574 HydrophobicContact CD1-CB 3.98Å; I533-H574 WeakPolarHBondContact CD1-O 3.41Å; I570-H574 HydrophobicContact CD1-CB 4.05Å; I570-H574 HydrophobicContact CG1-CB 3.75Å; K571-H574 WeakPolarHBondContact O-CA 3.31Å; K571-H574 WeakPolarHBondContact O-CB 3.45Å; K571-H574 PolarHBondContact O-N 3.26Å; D572-H574 VanDerWaalsContact C-N 3.34Å; D572-H574 PolarHBondContact O-N 3.3Å; H574-C577 PolarHBondContact O-N 3.24Å; H574-L578 PolarHBondContact O-N 3.35Å |
| 575 | L | 93.8 | Very high | 91.5 | Very high | 43 Ų | 43 | 60.4 Ų | 60.4 | 23% | 0.225 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 172.8 | -175.3 | 58.5 | 0 | 0 | 0 | 110.4 | I570 K571 D572 C577 L578 E579 | I570-L575 HydrophobicContact CD1-CB 4.37Å; I570-L575 HydrophobicContact CG2-CB 4.17Å; I570-L575 HydrophobicContact CG2-CD1 4.43Å; K571-L575 PolarHBondContact O-N 3.42Å; D572-L575 PolarHBondContact O-N 2.79Å; L575-C577 VanDerWaalsContact C-N 3.31Å; L575-C577 PolarHBondContact O-N 3.06Å; L575-L578 WeakPolarHBondContact O-CA 3.45Å; L575-L578 WeakPolarHBondContact O-CB 3.45Å; L575-L578 PolarHBondContact O-N 3.02Å; L575-E579 HydrophobicContact CD1-CG 4.29Å; L575-E579 HydrophobicContact CG-CG 4.37Å; L575-E579 WeakPolarHBondContact O-CG 3.39Å; L575-E579 PolarHBondContact O-N 3.4Å |
| 576 | A | 94.4 | Very high | 92.4 | Very high | 64 Ų | 64 | 57.7 Ų | 57.7 | 53% | 0.529 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.9 | -39.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | D572 E579 G580 | D572-A576 WeakPolarHBondContact O-CB 3.23Å; D572-A576 PolarHBondContact O-N 3.37Å; A576-E579 PolarHBondContact O-N 2.96Å; A576-G580 PolarHBondContact O-N 3.17Å |
| 577 | C | 96 | Very high | 93.4 | Very high | 65 Ų | 65 | 57.6 Ų | 57.6 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70 | -27.6 | 174.7 | -68.1 | 0 | 0 | 0 | 0 | 114 | I533 N537 V573 H574 L575 A581 | I533-C577 HydrophobicContact CG2-CB 3.77Å; N537-C577 PolarHBondContact ND2-O 2.96Å; V573-C577 PolarHBondContact O-N 2.71Å; V573-C577 VanDerWaalsContact O-N 3.11Å; V573-C577 PolarHBondContact O-SG 3.47Å; H574-C577 PolarHBondContact O-N 3.24Å; L575-C577 VanDerWaalsContact C-N 3.31Å; L575-C577 PolarHBondContact O-N 3.06Å; C577-A581 PolarHBondContact O-N 2.9Å |
| 578 | L | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -74.8 | -43.6 | 171.3 | 174 | 64.4 | 0 | 0 | 0 | 111.4 | M536 L558 H574 L575 G580 A581 R582 L662 L665 L669 | M536-L578 HydrophobicContact SD-CD1 3.63Å; L558-L578 HydrophobicContact CD2-CD1 4.44Å; L558-L578 HydrophobicContact CD2-CD2 4.41Å; H574-L578 PolarHBondContact O-N 3.35Å; L575-L578 WeakPolarHBondContact O-CA 3.45Å; L575-L578 WeakPolarHBondContact O-CB 3.45Å; L575-L578 PolarHBondContact O-N 3.02Å; L578-G580 VanDerWaalsContact C-N 3.3Å; L578-G580 PolarHBondContact O-N 2.82Å; L578-A581 WeakPolarHBondContact O-CB 3.46Å; L578-A581 PolarHBondContact O-N 3.14Å; L578-A581 VanDerWaalsContact O-N 3.11Å; L578-R582 PolarHBondContact O-N 2.9Å; L578-L662 HydrophobicContact CD1-CD2 4.41Å; L578-L665 HydrophobicContact CD1-CD2 4.17Å; L578-L665 HydrophobicContact CD2-CD2 4.4Å; L578-L665 HydrophobicContact CD2-CG 4.31Å; L578-L669 HydrophobicContact CD2-CD1 3.63Å |
| 579 | E | 95.2 | Very high | 94.3 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 11% | 0.112 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 176.8 | -63.8 | -53.3 | 151 | 0 | 0 | 111.4 | L575 A576 R582 E583 S666 Q670 | L575-E579 HydrophobicContact CD1-CG 4.29Å; L575-E579 HydrophobicContact CG-CG 4.37Å; L575-E579 WeakPolarHBondContact O-CG 3.39Å; L575-E579 PolarHBondContact O-N 3.4Å; A576-E579 PolarHBondContact O-N 2.96Å; E579-R582 WeakPolarHBondContact O-CB 3.34Å; E579-R582 PolarHBondContact O-N 2.83Å; E579-R582 WeakPolarHBondContact OE2-CD 3.45Å; E579-R582 IonicContact OE2-CZ 3.07Å; E579-R582 IonicContact OE2-NE 2.9Å; E579-R582 PolarHBondContact OE2-NE 3.22Å; E579-R582 IonicContact OE2-NH1 3.64Å; E579-R582 PolarHBondContact OE2-NH1 3.26Å; E579-R582 IonicContact OE2-NH2 2.86Å; E579-R582 PolarHBondContact OE2-NH2 3.31Å; E579-E583 WeakPolarHBondContact O-CG 3.49Å; E579-E583 PolarHBondContact O-N 2.9Å; E579-S666 WeakPolarHBondContact OE1-CB 3.45Å; E579-S666 PolarHBondContact OE1-OG 3.27Å; E579-S666 PolarHBondContact OE2-OG 2.98Å; E579-Q670 PolarHBondContact OE1-NE2 2.86Å |
| 580 | G | 95.8 | Very high | 94.4 | Very high | 28 Ų | 28 | 50.9 Ų | 50.9 | 29% | 0.289 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A576 L578 R582 E583 E584 | A576-G580 PolarHBondContact O-N 3.17Å; L578-G580 VanDerWaalsContact C-N 3.3Å; L578-G580 PolarHBondContact O-N 2.82Å; G580-R582 VanDerWaalsContact C-N 3.32Å; G580-R582 PolarHBondContact O-N 2.95Å; G580-E583 PolarHBondContact O-N 2.89Å; G580-E584 PolarHBondContact O-N 2.95Å |
| 581 | A | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M536 C577 L578 S585 L662 | M536-A581 HydrophobicContact CB-CB 4.26Å; C577-A581 PolarHBondContact O-N 2.9Å; L578-A581 WeakPolarHBondContact O-CB 3.46Å; L578-A581 PolarHBondContact O-N 3.14Å; L578-A581 VanDerWaalsContact O-N 3.11Å; A581-S585 PolarHBondContact O-N 3.4Å; A581-L662 HydrophobicContact CB-CD1 4.15Å; A581-L662 WeakPolarHBondContact O-CD1 3.5Å |
| 582 | R | 95.9 | Very high | 94.5 | Very high | 62 Ų | 62 | 51.6 Ų | 51.6 | 23% | 0.234 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63 | -47.4 | 174 | -174.1 | -163.1 | 73.7 | 177.6 | -2.2 | 110.7 | L578 E579 G580 S585 L586 L662 S666 | L578-R582 PolarHBondContact O-N 2.9Å; E579-R582 WeakPolarHBondContact O-CB 3.34Å; E579-R582 PolarHBondContact O-N 2.83Å; E579-R582 WeakPolarHBondContact OE2-CD 3.45Å; E579-R582 IonicContact OE2-CZ 3.07Å; E579-R582 IonicContact OE2-NE 2.9Å; E579-R582 PolarHBondContact OE2-NE 3.22Å; E579-R582 IonicContact OE2-NH1 3.64Å; E579-R582 PolarHBondContact OE2-NH1 3.26Å; E579-R582 IonicContact OE2-NH2 2.86Å; E579-R582 PolarHBondContact OE2-NH2 3.31Å; G580-R582 VanDerWaalsContact C-N 3.32Å; G580-R582 PolarHBondContact O-N 2.95Å; R582-S585 PolarHBondContact O-N 2.81Å; R582-S585 PolarHBondContact O-OG 2.85Å; R582-L586 PolarHBondContact O-N 3.11Å; R582-L662 HydrophobicContact CB-CB 4.32Å; R582-L662 HydrophobicContact CG-CB 4.48Å; R582-S666 PolarHBondContact NH1-OG 2.67Å |
| 583 | E | 95.1 | Very high | 94.4 | Very high | 101 Ų | 101 | 47.4 Ų | 47.4 | 47% | 0.472 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 177.8 | -75.3 | 177.9 | -165.3 | 0 | 0 | 112.2 | E579 G580 S585 L586 H587 | E579-E583 WeakPolarHBondContact O-CG 3.49Å; E579-E583 PolarHBondContact O-N 2.9Å; G580-E583 PolarHBondContact O-N 2.89Å; E583-S585 VanDerWaalsContact C-N 3.32Å; E583-S585 PolarHBondContact O-N 3.05Å; E583-L586 WeakPolarHBondContact O-CB 3.48Å; E583-L586 PolarHBondContact O-N 3.43Å; E583-L586 VanDerWaalsContact O-N 3.14Å; E583-H587 PolarHBondContact O-CD2 3.26Å; E583-H587 VanDerWaalsContact O-CD2 3.29Å; E583-H587 PolarHBondContact O-N 3.45Å |
| 584 | E | 95.1 | Very high | 94.1 | Very high | 106 Ų | 106 | 49.5 Ų | 49.5 | 50% | 0.495 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 173.6 | -76.5 | -69.5 | -177.9 | 0 | 0 | 112.1 | A540 G580 L586 H587 L588 | A540-E584 HydrophobicContact CB-CB 4.13Å; G580-E584 PolarHBondContact O-N 2.95Å; E584-L586 VanDerWaalsContact C-N 3.31Å; E584-L586 PolarHBondContact O-N 3.42Å; E584-H587 PolarHBondContact O-N 3.25Å; E584-L588 WeakPolarHBondContact O-CB 3.41Å; E584-L588 PolarHBondContact O-N 3.42Å |
| 585 | S | 96.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.8 | -33.3 | 175.6 | 77.7 | 0 | 0 | 0 | 0 | 113.3 | A581 R582 E583 L589 | A581-S585 PolarHBondContact O-N 3.4Å; R582-S585 PolarHBondContact O-N 2.81Å; R582-S585 PolarHBondContact O-OG 2.85Å; E583-S585 VanDerWaalsContact C-N 3.32Å; E583-S585 PolarHBondContact O-N 3.05Å; S585-L589 WeakPolarHBondContact O-CB 3.43Å; S585-L589 PolarHBondContact O-N 3.26Å |
| 586 | L | 95.2 | Very high | 92.9 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 7% | 0.073 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.6 | -42.3 | 174.3 | -167.4 | 169.8 | 0 | 0 | 0 | 109.9 | R582 E583 E584 L589 R590 F659 L816 | R582-L586 PolarHBondContact O-N 3.11Å; E583-L586 WeakPolarHBondContact O-CB 3.48Å; E583-L586 PolarHBondContact O-N 3.43Å; E583-L586 VanDerWaalsContact O-N 3.14Å; E584-L586 VanDerWaalsContact C-N 3.31Å; E584-L586 PolarHBondContact O-N 3.42Å; L586-L589 PolarHBondContact O-N 2.95Å; L586-R590 HydrophobicContact CD2-CG 4.08Å; L586-R590 VanDerWaalsContact CD2-NE 3.33Å; L586-R590 WeakPolarHBondContact O-CG 3.04Å; L586-R590 PolarHBondContact O-N 2.89Å; L586-F659 HydrophobicContact CB-CD2 4.05Å; L586-F659 HydrophobicContact CB-CE2 4.13Å; L586-F659 HydrophobicContact CD1-CE2 4.04Å; L586-F659 HydrophobicContact CG-CD2 4.25Å; L586-F659 HydrophobicContact CG-CE2 3.86Å; L586-L816 HydrophobicContact CD2-CB 4.37Å; L586-L816 HydrophobicContact CD2-CD2 4.21Å; L586-L816 HydrophobicContact CG-CD2 4.12Å |
| 587 | H | 93.9 | Very high | 92.2 | Very high | 100 Ų | 100 | 55.2 Ų | 55.2 | 46% | 0.463 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 172.2 | -87 | -85.3 | 0 | 0 | 0 | 113 | E583 E584 R590 | E583-H587 PolarHBondContact O-CD2 3.26Å; E583-H587 VanDerWaalsContact O-CD2 3.29Å; E583-H587 PolarHBondContact O-N 3.45Å; E584-H587 PolarHBondContact O-N 3.25Å; H587-R590 PolarHBondContact CD2-NH1 3.32Å; H587-R590 PolarHBondContact CE1-NH1 3.49Å; H587-R590 PolarHBondContact NE2-NH1 3.04Å; H587-R590 WeakPolarHBondContact O-CB 3.36Å; H587-R590 PolarHBondContact O-N 2.95Å |
| 588 | L | 93.9 | Very high | 91.7 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.1 | -49.2 | 171 | 175.7 | 62.8 | 0 | 0 | 0 | 110.7 | A540 P542 E584 R590 T591 F592 A655 | A540-L588 WeakPolarHBondContact O-CD2 3.38Å; P542-L588 HydrophobicContact CB-CD1 3.98Å; P542-L588 HydrophobicContact CG-CD1 3.95Å; E584-L588 WeakPolarHBondContact O-CB 3.41Å; E584-L588 PolarHBondContact O-N 3.42Å; L588-R590 VanDerWaalsContact C-N 3.34Å; L588-R590 PolarHBondContact O-N 3.06Å; L588-T591 WeakPolarHBondContact O-CB 3.45Å; L588-T591 PolarHBondContact O-N 3.45Å; L588-T591 PolarHBondContact O-OG1 3.22Å; L588-F592 HydrophobicContact CD1-CE2 3.86Å; L588-F592 HydrophobicContact CG-CE2 4.25Å; L588-F592 WeakPolarHBondContact O-CD2 3.21Å; L588-A655 HydrophobicContact CD2-CB 3.99Å; L588-A655 HydrophobicContact CG-CB 4Å |
| 589 | L | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -34.5 | -177.9 | -173.3 | 52.5 | 0 | 0 | 0 | 113 | S585 L586 T591 F592 Y593 F599 F603 A655 I656 F659 L816 | S585-L589 WeakPolarHBondContact O-CB 3.43Å; S585-L589 PolarHBondContact O-N 3.26Å; L586-L589 PolarHBondContact O-N 2.95Å; L589-T591 PolarHBondContact O-N 3.49Å; L589-F592 PolarHBondContact O-N 3.28Å; L589-F592 VanDerWaalsContact O-N 3.15Å; L589-Y593 PolarHBondContact O-N 2.97Å; L589-F599 HydrophobicContact CD1-CE2 3.94Å; L589-F599 HydrophobicContact CD1-CZ 3.71Å; L589-F599 HydrophobicContact CG-CZ 4.25Å; L589-F603 HydrophobicContact CD2-CE2 4.4Å; L589-A655 HydrophobicContact CD1-CB 4.06Å; L589-I656 HydrophobicContact CD1-CB 4.49Å; L589-I656 HydrophobicContact CD1-CG1 3.6Å; L589-I656 HydrophobicContact CD2-CG1 4.47Å; L589-F659 HydrophobicContact CD2-CB 3.67Å; L589-F659 HydrophobicContact CD2-CD1 3.65Å; L589-F659 HydrophobicContact CD2-CD2 4.35Å; L589-F659 HydrophobicContact CD2-CE1 4.38Å; L589-F659 HydrophobicContact CD2-CG 3.63Å; L589-L816 HydrophobicContact CB-CD2 4.27Å; L589-L816 HydrophobicContact CD2-CD2 3.92Å; L589-L816 HydrophobicContact CG-CD2 4.02Å |
| 590 | R | 93.9 | Very high | 91.3 | Very high | 60 Ų | 60 | 56.9 Ų | 56.9 | 23% | 0.226 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.5 | -32.9 | 170.3 | -76.2 | 171.6 | 173.4 | 143.9 | 2.3 | 112.6 | L586 H587 L588 F592 Y593 L816 D817 L818 | L586-R590 HydrophobicContact CD2-CG 4.08Å; L586-R590 VanDerWaalsContact CD2-NE 3.33Å; L586-R590 WeakPolarHBondContact O-CG 3.04Å; L586-R590 PolarHBondContact O-N 2.89Å; H587-R590 PolarHBondContact CD2-NH1 3.32Å; H587-R590 PolarHBondContact CE1-NH1 3.49Å; H587-R590 PolarHBondContact NE2-NH1 3.04Å; H587-R590 WeakPolarHBondContact O-CB 3.36Å; H587-R590 PolarHBondContact O-N 2.95Å; L588-R590 VanDerWaalsContact C-N 3.34Å; L588-R590 PolarHBondContact O-N 3.06Å; R590-F592 VanDerWaalsContact C-N 3.3Å; R590-F592 PolarHBondContact O-N 3.39Å; R590-Y593 PolarHBondContact O-N 3.3Å; R590-L816 HydrophobicContact CG-CB 4.28Å; R590-L816 PolarHBondContact NE-O 3.41Å; R590-L816 PolarHBondContact NH2-O 3.05Å; R590-D817 IonicContact CZ-OD2 3.33Å; R590-D817 VanDerWaalsContact NH2-CB 3.32Å; R590-D817 IonicContact NH2-OD2 2.72Å; R590-D817 PolarHBondContact NH2-OD2 3.18Å; R590-L818 HydrophobicContact CG-CD2 4.15Å |
| 591 | T | 92.4 | Very high | 91 | Very high | 97 Ų | 97 | 58.1 Ų | 58.1 | 60% | 0.595 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -68 | -27.6 | -179.8 | 71 | 0 | 0 | 0 | 0 | 113.8 | L588 L589 | L588-T591 WeakPolarHBondContact O-CB 3.45Å; L588-T591 PolarHBondContact O-N 3.45Å; L588-T591 PolarHBondContact O-OG1 3.22Å; L589-T591 PolarHBondContact O-N 3.49Å |
| 592 | F | 90.9 | Very high | 90.8 | Very high | 45 Ų | 45 | 60 Ų | 60 | 20% | 0.197 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -90.5 | -18.5 | 176.7 | -62.8 | -78.5 | 0 | 0 | 0 | 112.8 | L588 L589 R590 K594 F599 K651 T652 A655 | L588-F592 HydrophobicContact CD1-CE2 3.86Å; L588-F592 HydrophobicContact CG-CE2 4.25Å; L588-F592 WeakPolarHBondContact O-CD2 3.21Å; L589-F592 PolarHBondContact O-N 3.28Å; L589-F592 VanDerWaalsContact O-N 3.15Å; R590-F592 VanDerWaalsContact C-N 3.3Å; R590-F592 PolarHBondContact O-N 3.39Å; F592-K594 PolarHBondContact O-N 2.9Å; F592-F599 HydrophobicContact CB-CE2 4.23Å; F592-K651 HydrophobicContact CE1-CB 4.15Å; F592-K651 HydrophobicContact CZ-CB 3.91Å; F592-T652 HydrophobicContact CB-CG2 3.93Å; F592-T652 WeakPolarHBondContact CD1-OG1 3.35Å; F592-T652 HydrophobicContact CG-CG2 4.27Å; F592-A655 HydrophobicContact CD2-CB 3.94Å; F592-A655 HydrophobicContact CE2-CB 3.98Å |
| 593 | Y | 91.1 | Very high | 90.7 | Very high | 49 Ų | 49 | 57 Ų | 57 | 19% | 0.192 | 28% | 0.281 | C | S | . | . | trans | -72.2 | 108.6 | -179.4 | -179.4 | -90.8 | 0 | 0 | 0 | 111.9 | L589 R590 F599 M809 I812 L816 L818 | L589-Y593 PolarHBondContact O-N 2.97Å; R590-Y593 PolarHBondContact O-N 3.3Å; Y593-F599 HydrophobicContact CD2-CD1 4.1Å; Y593-F599 AromaticContact CD2-CE1 3.87Å; Y593-F599 HydrophobicContact CD2-CE1 3.87Å; Y593-F599 HydrophobicContact CD2-CZ 4.16Å; Y593-M809 HydrophobicContact CE2-CG 4.27Å; Y593-M809 HydrophobicContact CE2-SD 3.63Å; Y593-M809 WeakPolarHBondContact OH-CG 3.26Å; Y593-I812 HydrophobicContact CD2-CG2 3.89Å; Y593-I812 HydrophobicContact CE2-CB 4.44Å; Y593-I812 HydrophobicContact CE2-CG2 3.68Å; Y593-L816 HydrophobicContact CD2-CD1 3.89Å; Y593-L816 HydrophobicContact CG-CD1 3.97Å; Y593-L818 HydrophobicContact CD1-CD1 3.33Å; Y593-L818 HydrophobicContact CE1-CD1 3.49Å; Y593-L818 VanDerWaalsContact CE1-CD1 3.49Å; Y593-L818 HydrophobicContact CG-CD1 4.07Å | ||
| 594 | K | 86.6 | Confident | 90.4 | Very high | 150 Ų | 150 | 52.9 Ų | 52.9 | 65% | 0.652 | 26% | 0.262 | S | S | * | . | trans | -115.8 | 0.7 | 177.1 | -64.3 | 173.3 | -173.3 | 167.7 | 0 | 113.9 | F592 E596 | F592-K594 PolarHBondContact O-N 2.9Å; K594-E596 HydrophobicContact CB-CG 3.9Å; K594-E596 WeakPolarHBondContact CD-OE1 3.47Å; K594-E596 PolarHBondContact O-N 2.95Å | ||
| 595 | G | 79.1 | Confident | 90.1 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 38% | 0.381 | 25% | 0.249 | S | C | . | . | trans | 70.5 | 14.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 596 | E | 84.4 | Confident | 89.9 | Confident | 100 Ų | 100 | 50.1 Ų | 50.1 | 47% | 0.467 | 25% | 0.25 | S | S | . | . | trans | -74.8 | 139.7 | 177.4 | -66.6 | 172.3 | -159.1 | 0 | 0 | 111.1 | K594 I598 F599 M809 | K594-E596 HydrophobicContact CB-CG 3.9Å; K594-E596 WeakPolarHBondContact CD-OE1 3.47Å; K594-E596 PolarHBondContact O-N 2.95Å; E596-I598 PolarHBondContact O-N 3.49Å; E596-I598 VanDerWaalsContact O-N 3.16Å; E596-F599 VanDerWaalsContact O-CB 3.31Å; E596-F599 WeakPolarHBondContact O-CB 3.31Å; E596-F599 PolarHBondContact O-N 3.43Å; E596-M809 WeakPolarHBondContact O-CE 3.38Å | ||
| 597 | E | 78.1 | Confident | 89.7 | Confident | 104 Ų | 104 | 51.4 Ų | 51.4 | 49% | 0.486 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.9 | -32.3 | -176.4 | -70.4 | -163.9 | -148.6 | 0 | 0 | 113.8 | F599 L600 D601 R805 | E597-F599 PolarHBondContact O-N 2.68Å; E597-L600 PolarHBondContact O-N 3.06Å; E597-L600 VanDerWaalsContact O-N 3.09Å; E597-D601 PolarHBondContact O-N 3.48Å; E597-R805 WeakPolarHBondContact OE2-CD 3.2Å; E597-R805 IonicContact OE2-CZ 3.69Å; E597-R805 IonicContact OE2-NE 3.26Å; E597-R805 IonicContact OE2-NH1 2.67Å; E597-R805 PolarHBondContact OE2-NH1 2.75Å |
| 598 | I | 86.8 | Confident | 89.4 | Confident | 117 Ų | 117 | 50.2 Ų | 50.2 | 60% | 0.6 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -59.9 | -32.3 | 177 | -53.2 | 175.9 | 0 | 0 | 0 | 111 | E596 M602 | E596-I598 PolarHBondContact O-N 3.49Å; E596-I598 VanDerWaalsContact O-N 3.16Å; I598-M602 HydrophobicContact CG2-CE 4.24Å; I598-M602 HydrophobicContact CG2-CG 4.47Å; I598-M602 WeakPolarHBondContact O-CB 3.11Å; I598-M602 WeakPolarHBondContact O-CG 3.23Å; I598-M602 PolarHBondContact O-N 3.39Å |
| 599 | F | 92 | Very high | 89 | Confident | 7 Ų | 7 | 52 Ų | 52 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 176.2 | -173.9 | -79.4 | 0 | 0 | 0 | 111.8 | L589 F592 Y593 E596 E597 M602 F603 T652 I656 I812 | L589-F599 HydrophobicContact CD1-CE2 3.94Å; L589-F599 HydrophobicContact CD1-CZ 3.71Å; L589-F599 HydrophobicContact CG-CZ 4.25Å; F592-F599 HydrophobicContact CB-CE2 4.23Å; Y593-F599 HydrophobicContact CD2-CD1 4.1Å; Y593-F599 AromaticContact CD2-CE1 3.87Å; Y593-F599 HydrophobicContact CD2-CE1 3.87Å; Y593-F599 HydrophobicContact CD2-CZ 4.16Å; E596-F599 VanDerWaalsContact O-CB 3.31Å; E596-F599 WeakPolarHBondContact O-CB 3.31Å; E596-F599 PolarHBondContact O-N 3.43Å; E597-F599 PolarHBondContact O-N 2.68Å; F599-M602 PolarHBondContact O-N 3.45Å; F599-F603 HydrophobicContact CD1-CB 4.45Å; F599-F603 HydrophobicContact CE1-CB 4.32Å; F599-F603 AromaticContact CE1-CD2 3.89Å; F599-F603 HydrophobicContact CE1-CD2 3.89Å; F599-F603 HydrophobicContact CE1-CG 4.43Å; F599-F603 HydrophobicContact CZ-CD2 4.37Å; F599-F603 WeakPolarHBondContact O-CB 3.28Å; F599-F603 PolarHBondContact O-N 2.9Å; F599-T652 HydrophobicContact CD2-CG2 4.12Å; F599-T652 HydrophobicContact CE2-CG2 4.09Å; F599-I656 HydrophobicContact CZ-CG1 4.5Å; F599-I812 HydrophobicContact CD1-CD1 4.43Å; F599-I812 HydrophobicContact CE1-CD1 4.45Å; F599-I812 HydrophobicContact CE1-CG2 3.85Å |
| 600 | L | 90.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -46 | 177.3 | 169 | 62.4 | 0 | 0 | 0 | 111 | E597 F603 E604 L679 R805 K808 M809 I812 | E597-L600 PolarHBondContact O-N 3.06Å; E597-L600 VanDerWaalsContact O-N 3.09Å; L600-F603 PolarHBondContact O-N 3.32Å; L600-E604 HydrophobicContact CD1-CG 4.16Å; L600-E604 PolarHBondContact O-N 2.77Å; L600-L679 HydrophobicContact CD1-CD1 3.78Å; L600-R805 HydrophobicContact CD2-CB 4Å; L600-R805 HydrophobicContact CD2-CG 4.01Å; L600-K808 HydrophobicContact CD1-CB 3.71Å; L600-K808 HydrophobicContact CD1-CD 4.19Å; L600-K808 HydrophobicContact CD2-CB 4Å; L600-K808 HydrophobicContact CD2-CD 4.45Å; L600-M809 HydrophobicContact CB-CE 3.63Å; L600-M809 HydrophobicContact CB-SD 4.49Å; L600-I812 HydrophobicContact CB-CD1 4.46Å; L600-I812 HydrophobicContact CD1-CD1 3.71Å |
| 601 | D | 88.4 | Confident | 88.1 | Confident | 54 Ų | 54 | 54.4 Ų | 54.4 | 29% | 0.289 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | -179.9 | -67.9 | -37.9 | 0 | 0 | 0 | 110.9 | E597 F603 D605 R805 | E597-D601 PolarHBondContact O-N 3.48Å; D601-F603 PolarHBondContact O-N 2.75Å; D601-D605 WeakPolarHBondContact O-CB 3.4Å; D601-D605 PolarHBondContact O-N 2.97Å; D601-D605 VanDerWaalsContact O-N 3.15Å; D601-R805 VanDerWaalsContact CG-NH2 3.3Å; D601-R805 IonicContact OD1-CZ 2.89Å; D601-R805 IonicContact OD1-NH1 3.22Å; D601-R805 IonicContact OD1-NH2 2.84Å; D601-R805 PolarHBondContact OD1-NH2 3.3Å; D601-R805 IonicContact OD2-CZ 2.87Å; D601-R805 IonicContact OD2-NH1 3Å; D601-R805 PolarHBondContact OD2-NH1 2.78Å; D601-R805 IonicContact OD2-NH2 3.22Å; D601-R805 PolarHBondContact OD2-NH2 3.47Å; D601-R805 VanDerWaalsContact OD2-NH2 3.08Å |
| 602 | M | 91.4 | Very high | 87.6 | Confident | 38 Ų | 38 | 53.4 Ų | 53.4 | 19% | 0.187 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 171.8 | -72.3 | -171.5 | -60.2 | 0 | 0 | 113.6 | I598 F599 D605 E606 V649 T652 R653 I656 | I598-M602 HydrophobicContact CG2-CE 4.24Å; I598-M602 HydrophobicContact CG2-CG 4.47Å; I598-M602 WeakPolarHBondContact O-CB 3.11Å; I598-M602 WeakPolarHBondContact O-CG 3.23Å; I598-M602 PolarHBondContact O-N 3.39Å; F599-M602 PolarHBondContact O-N 3.45Å; M602-D605 PolarHBondContact O-N 2.96Å; M602-E606 PolarHBondContact O-N 2.9Å; M602-V649 HydrophobicContact SD-CG1 4.02Å; M602-T652 HydrophobicContact CE-CG2 3.75Å; M602-R653 HydrophobicContact SD-CG 4.24Å; M602-I656 HydrophobicContact CB-CD1 4.2Å |
| 603 | F | 93.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.5 | -40.5 | -177 | -173.9 | -84 | 0 | 0 | 0 | 112 | L589 F599 L600 D601 Y607 I656 F659 F660 L677 L679 I812 L815 | L589-F603 HydrophobicContact CD2-CE2 4.4Å; F599-F603 HydrophobicContact CD1-CB 4.45Å; F599-F603 HydrophobicContact CE1-CB 4.32Å; F599-F603 AromaticContact CE1-CD2 3.89Å; F599-F603 HydrophobicContact CE1-CD2 3.89Å; F599-F603 HydrophobicContact CE1-CG 4.43Å; F599-F603 HydrophobicContact CZ-CD2 4.37Å; F599-F603 WeakPolarHBondContact O-CB 3.28Å; F599-F603 PolarHBondContact O-N 2.9Å; L600-F603 PolarHBondContact O-N 3.32Å; D601-F603 PolarHBondContact O-N 2.75Å; F603-Y607 PolarHBondContact O-N 3.41Å; F603-I656 HydrophobicContact CB-CD1 4.44Å; F603-I656 HydrophobicContact CD2-CG1 4.29Å; F603-I656 HydrophobicContact CD2-CG2 4.14Å; F603-F659 HydrophobicContact CE2-CE1 4.44Å; F603-F659 HydrophobicContact CZ-CE1 4.45Å; F603-F660 HydrophobicContact CD1-CE1 4.49Å; F603-F660 AromaticContact CD1-CZ 3.87Å; F603-F660 HydrophobicContact CD1-CZ 3.87Å; F603-F660 HydrophobicContact CD2-CE1 4.47Å; F603-F660 AromaticContact CD2-CZ 3.95Å; F603-F660 HydrophobicContact CD2-CZ 3.95Å; F603-F660 AromaticContact CE1-CE1 3.8Å; F603-F660 HydrophobicContact CE1-CE1 3.8Å; F603-F660 AromaticContact CE1-CZ 3.64Å; F603-F660 HydrophobicContact CE1-CZ 3.64Å; F603-F660 AromaticContact CE2-CE1 3.78Å; F603-F660 HydrophobicContact CE2-CE1 3.78Å; F603-F660 AromaticContact CE2-CZ 3.72Å; F603-F660 HydrophobicContact CE2-CZ 3.72Å; F603-F660 HydrophobicContact CG-CZ 4.04Å; F603-F660 AromaticContact CZ-CE1 3.41Å; F603-F660 HydrophobicContact CZ-CE1 3.41Å; F603-F660 VanDerWaalsContact CZ-CE1 3.41Å; F603-F660 AromaticContact CZ-CZ 3.57Å; F603-F660 HydrophobicContact CZ-CZ 3.57Å; F603-L677 HydrophobicContact CE1-CD2 3.83Å; F603-L677 HydrophobicContact CZ-CD2 4.22Å; F603-L679 HydrophobicContact CD1-CD1 3.76Å; F603-L679 HydrophobicContact CD1-CG 4.37Å; F603-L679 HydrophobicContact CE1-CD1 3.88Å; F603-L679 HydrophobicContact CE1-CD2 4.12Å; F603-L679 HydrophobicContact CE1-CG 4.07Å; F603-I812 HydrophobicContact CB-CD1 4.16Å; F603-I812 HydrophobicContact CD1-CD1 3.82Å; F603-I812 HydrophobicContact CD1-CG1 4.02Å; F603-I812 HydrophobicContact CD2-CD1 4.43Å; F603-I812 HydrophobicContact CE1-CD1 4.25Å; F603-I812 HydrophobicContact CE1-CG1 3.92Å; F603-I812 HydrophobicContact CE2-CG2 4.49Å; F603-I812 HydrophobicContact CG-CD1 3.9Å; F603-I812 HydrophobicContact CG-CG1 4.4Å; F603-I812 HydrophobicContact CZ-CG1 4.21Å; F603-L815 HydrophobicContact CZ-CD1 4.34Å |
| 604 | E | 90.2 | Very high | 86.8 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 7% | 0.065 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 173.1 | -63.4 | -152.5 | 141.3 | 0 | 0 | 112.1 | L600 Y607 R608 L679 Q745 K808 | L600-E604 HydrophobicContact CD1-CG 4.16Å; L600-E604 PolarHBondContact O-N 2.77Å; E604-Y607 PolarHBondContact O-N 2.93Å; E604-R608 VanDerWaalsContact O-CG 3.27Å; E604-R608 WeakPolarHBondContact O-CG 3.36Å; E604-R608 PolarHBondContact O-N 2.8Å; E604-R608 IonicContact OE2-CZ 3.18Å; E604-R608 IonicContact OE2-NH1 3.61Å; E604-R608 IonicContact OE2-NH2 3.61Å; E604-R608 PolarHBondContact OE2-NH2 2.82Å; E604-L679 HydrophobicContact CG-CD1 4.22Å; E604-Q745 PolarHBondContact OE2-NE2 2.95Å; E604-K808 WeakPolarHBondContact OE1-CD 3.4Å; E604-K808 WeakPolarHBondContact OE1-CE 3.33Å; E604-K808 IonicContact OE1-NZ 3.18Å; E604-K808 PolarHBondContact OE1-NZ 2.76Å; E604-K808 IonicContact OE2-NZ 3.93Å |
| 605 | D | 88.8 | Confident | 86.8 | Confident | 41 Ų | 41 | 56.6 Ų | 56.6 | 22% | 0.219 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.6 | -35.9 | -176.6 | -78.2 | -8.3 | 0 | 0 | 0 | 113.3 | D601 M602 R608 S609 | D601-D605 WeakPolarHBondContact O-CB 3.4Å; D601-D605 PolarHBondContact O-N 2.97Å; D601-D605 VanDerWaalsContact O-N 3.15Å; M602-D605 PolarHBondContact O-N 2.96Å; D605-R608 IonicContact OD1-CZ 3.27Å; D605-R608 IonicContact OD1-NH1 3.47Å; D605-R608 PolarHBondContact OD1-NH1 3.44Å; D605-S609 VanDerWaalsContact O-CB 3.29Å; D605-S609 WeakPolarHBondContact O-CB 3.44Å; D605-S609 PolarHBondContact O-N 3.08Å |
| 606 | E | 91.3 | Very high | 87.3 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 3% | 0.033 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69 | -36.2 | 172.6 | -73.3 | -55.2 | 153.6 | 0 | 0 | 112.7 | M602 S609 M610 R653 I656 R657 F660 | M602-E606 PolarHBondContact O-N 2.9Å; E606-S609 PolarHBondContact O-N 2.98Å; E606-M610 WeakPolarHBondContact O-CB 3.44Å; E606-M610 PolarHBondContact O-N 3.18Å; E606-R653 HydrophobicContact CG-CB 4.3Å; E606-R653 HydrophobicContact CG-CG 4.36Å; E606-R653 IonicContact OE1-CZ 2.71Å; E606-R653 IonicContact OE1-NE 2.62Å; E606-R653 PolarHBondContact OE1-NE 3.2Å; E606-R653 IonicContact OE1-NH2 2.66Å; E606-R653 PolarHBondContact OE1-NH2 2.95Å; E606-I656 HydrophobicContact CB-CG2 3.73Å; E606-I656 HydrophobicContact CG-CG2 4.27Å; E606-R657 PolarHBondContact O-NE 3.28Å; E606-R657 IonicContact OE2-CZ 3.57Å; E606-R657 IonicContact OE2-NE 2.63Å; E606-R657 PolarHBondContact OE2-NE 3.15Å; E606-R657 IonicContact OE2-NH2 3.84Å; E606-R657 PolarHBondContact OE2-NH2 3.46Å; E606-F660 HydrophobicContact CB-CE2 4.37Å |
| 607 | Y | 91 | Very high | 87.6 | Confident | 41 Ų | 41 | 53.1 Ų | 53.1 | 16% | 0.161 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.3 | -46 | 174.3 | -169.9 | -99 | 0 | 0 | 0 | 111.5 | F603 E604 M610 T611 F660 L677 P678 | F603-Y607 PolarHBondContact O-N 3.41Å; E604-Y607 PolarHBondContact O-N 2.93Å; Y607-M610 HydrophobicContact CD2-CE 4.3Å; Y607-M610 HydrophobicContact CE2-CE 4.26Å; Y607-M610 PolarHBondContact O-N 3.29Å; Y607-T611 HydrophobicContact CD1-CG2 4.26Å; Y607-T611 HydrophobicContact CE1-CG2 3.87Å; Y607-T611 HydrophobicContact CE2-CG2 4.35Å; Y607-T611 WeakPolarHBondContact O-CB 3.34Å; Y607-T611 WeakPolarHBondContact O-CG2 3.44Å; Y607-T611 PolarHBondContact O-N 3.34Å; Y607-T611 PolarHBondContact O-OG1 2.93Å; Y607-F660 HydrophobicContact CD2-CD1 4.04Å; Y607-F660 HydrophobicContact CD2-CD2 4.11Å; Y607-F660 AromaticContact CD2-CE1 3.94Å; Y607-F660 HydrophobicContact CD2-CE1 3.94Å; Y607-F660 HydrophobicContact CD2-CE2 4.01Å; Y607-F660 HydrophobicContact CD2-CG 4.14Å; Y607-F660 AromaticContact CD2-CZ 3.93Å; Y607-F660 HydrophobicContact CD2-CZ 3.93Å; Y607-F660 HydrophobicContact CG-CE2 4.35Å; Y607-F660 HydrophobicContact CG-CZ 4.32Å; Y607-L677 HydrophobicContact CD2-CB 4.41Å; Y607-L677 HydrophobicContact CD2-CD1 4.16Å; Y607-L677 HydrophobicContact CE1-CB 4.34Å; Y607-L677 HydrophobicContact CE2-CB 3.69Å; Y607-L677 HydrophobicContact CE2-CD1 3.82Å; Y607-L677 HydrophobicContact CE2-CG 4.29Å; Y607-P678 HydrophobicContact CD1-CB 4.15Å; Y607-P678 HydrophobicContact CE1-CB 3.85Å; Y607-P678 HydrophobicContact CE1-CG 4.47Å |
| 608 | R | 87.9 | Confident | 88.2 | Confident | 75 Ų | 75 | 53.4 Ų | 53.4 | 28% | 0.283 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.1 | -48.4 | 172.2 | -72.7 | 169.2 | -175.3 | 128.2 | 12.6 | 111.8 | E604 D605 T611 S612 | E604-R608 VanDerWaalsContact O-CG 3.27Å; E604-R608 WeakPolarHBondContact O-CG 3.36Å; E604-R608 PolarHBondContact O-N 2.8Å; E604-R608 IonicContact OE2-CZ 3.18Å; E604-R608 IonicContact OE2-NH1 3.61Å; E604-R608 IonicContact OE2-NH2 3.61Å; E604-R608 PolarHBondContact OE2-NH2 2.82Å; D605-R608 IonicContact OD1-CZ 3.27Å; D605-R608 IonicContact OD1-NH1 3.47Å; D605-R608 PolarHBondContact OD1-NH1 3.44Å; R608-T611 PolarHBondContact O-N 3.11Å; R608-T611 PolarHBondContact O-OG1 2.66Å; R608-S612 WeakPolarHBondContact O-CB 3.26Å; R608-S612 PolarHBondContact O-N 3.07Å; R608-S612 PolarHBondContact O-OG 3.14Å |
| 609 | S | 85 | Confident | 88.4 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 37% | 0.371 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.1 | -46.4 | -178.5 | 179 | 0 | 0 | 0 | 0 | 111.5 | D605 E606 T611 S612 R657 | D605-S609 VanDerWaalsContact O-CB 3.29Å; D605-S609 WeakPolarHBondContact O-CB 3.44Å; D605-S609 PolarHBondContact O-N 3.08Å; E606-S609 PolarHBondContact O-N 2.98Å; S609-T611 PolarHBondContact O-N 3.28Å; S609-S612 PolarHBondContact O-N 2.98Å; S609-S612 PolarHBondContact O-OG 3.44Å; S609-R657 PolarHBondContact OG-NH2 3.05Å |
| 610 | M | 85.5 | Confident | 88.5 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 14% | 0.143 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59 | -46.3 | 176.3 | -170.7 | -172.6 | 75.6 | 0 | 0 | 112.4 | E606 Y607 S612 F660 M661 | E606-M610 WeakPolarHBondContact O-CB 3.44Å; E606-M610 PolarHBondContact O-N 3.18Å; Y607-M610 HydrophobicContact CD2-CE 4.3Å; Y607-M610 HydrophobicContact CE2-CE 4.26Å; Y607-M610 PolarHBondContact O-N 3.29Å; M610-S612 VanDerWaalsContact C-N 3.33Å; M610-S612 PolarHBondContact O-N 3.48Å; M610-F660 HydrophobicContact CE-CB 3.86Å; M610-F660 HydrophobicContact SD-CB 3.68Å; M610-M661 HydrophobicContact SD-CG 3.88Å |
| 611 | T | 84.7 | Confident | 88.5 | Confident | 82 Ų | 82 | 54.4 Ų | 54.4 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -74.1 | -21.7 | -179.1 | 49.3 | 0 | 0 | 0 | 0 | 113.7 | Y607 R608 S609 | Y607-T611 HydrophobicContact CD1-CG2 4.26Å; Y607-T611 HydrophobicContact CE1-CG2 3.87Å; Y607-T611 HydrophobicContact CE2-CG2 4.35Å; Y607-T611 WeakPolarHBondContact O-CB 3.34Å; Y607-T611 WeakPolarHBondContact O-CG2 3.44Å; Y607-T611 PolarHBondContact O-N 3.34Å; Y607-T611 PolarHBondContact O-OG1 2.93Å; R608-T611 PolarHBondContact O-N 3.11Å; R608-T611 PolarHBondContact O-OG1 2.66Å; S609-T611 PolarHBondContact O-N 3.28Å |
| 612 | S | 82.3 | Confident | 88.7 | Confident | 76 Ų | 76 | 56.8 Ų | 56.8 | 53% | 0.531 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -78.8 | -27.9 | -175.5 | 70.4 | 0 | 0 | 0 | 0 | 115.1 | R608 S609 M610 | R608-S612 WeakPolarHBondContact O-CB 3.26Å; R608-S612 PolarHBondContact O-N 3.07Å; R608-S612 PolarHBondContact O-OG 3.14Å; S609-S612 PolarHBondContact O-N 2.98Å; S609-S612 PolarHBondContact O-OG 3.44Å; M610-S612 VanDerWaalsContact C-N 3.33Å; M610-S612 PolarHBondContact O-N 3.48Å |
| 613 | K | 81.3 | Confident | 88.7 | Confident | 170 Ų | 170 | 57 Ų | 57 | 74% | 0.739 | 29% | 0.29 | S | S | * | . | trans | -152.2 | 104.6 | -175.4 | -68 | -170 | 179.6 | -172 | 0 | 110.1 | ||||
| 614 | P | 82.6 | Confident | 88.6 | Confident | 108 Ų | 108 | 57.1 Ų | 57.1 | 70% | 0.701 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 158 | 172.3 | 31.1 | -35.1 | 0 | 0 | 0 | 111.1 | N616 | P614-N616 PolarHBondContact O-N 2.82Š|
| 615 | L | 87.2 | Confident | 88.6 | Confident | 33 Ų | 33 | 56.8 Ų | 56.8 | 17% | 0.173 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 117.7 | 172.6 | -177.9 | 69.1 | 0 | 0 | 0 | 111.4 | A549 E552 L553 L620 | A549-L615 HydrophobicContact CB-CD1 4.49Å; E552-L615 HydrophobicContact CB-CB 4.42Å; E552-L615 HydrophobicContact CB-CD2 4.18Å; E552-L615 HydrophobicContact CG-CB 4.01Å; E552-L615 VanDerWaalsContact OE1-CB 3.31Å; E552-L615 WeakPolarHBondContact OE1-CB 3.28Å; E552-L615 PolarHBondContact OE1-N 2.78Å; L553-L615 HydrophobicContact CB-CD2 3.99Å; L615-L620 HydrophobicContact CD1-CD2 4.3Å; L615-L620 HydrophobicContact CD2-CD2 4.48Å |
| 616 | N | 90.3 | Very high | 88.7 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 34% | 0.342 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -95.4 | 122.4 | 165.1 | 175.4 | -57.3 | 0 | 0 | 0 | 108.7 | P614 E618 Y619 L620 | P614-N616 PolarHBondContact O-N 2.82Å; N616-E618 WeakPolarHBondContact OD1-CA 3.41Å; N616-E618 WeakPolarHBondContact OD1-CB 3.48Å; N616-E618 PolarHBondContact OD1-N 3.45Å; N616-Y619 HydrophobicContact CB-CD2 3.83Å; N616-Y619 VanDerWaalsContact CG-CD2 3.49Å; N616-Y619 PolarHBondContact OD1-N 3.34Å; N616-L620 PolarHBondContact O-N 3.28Å; N616-L620 VanDerWaalsContact O-N 3.17Å |
| 617 | V | 90.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -76.8 | -29.4 | -174.8 | -175.2 | 0 | 0 | 0 | 0 | 112.1 | C493 Y496 L553 L620 M621 | C493-V617 HydrophobicContact CB-CG1 4.46Å; Y496-V617 HydrophobicContact CD1-CB 3.73Å; Y496-V617 HydrophobicContact CD1-CG1 3.68Å; Y496-V617 HydrophobicContact CD1-CG2 3.81Å; Y496-V617 HydrophobicContact CD2-CG2 3.96Å; Y496-V617 HydrophobicContact CE1-CB 3.57Å; Y496-V617 HydrophobicContact CE1-CG1 4.05Å; Y496-V617 HydrophobicContact CE1-CG2 3.7Å; Y496-V617 HydrophobicContact CE2-CG2 3.83Å; Y496-V617 HydrophobicContact CG-CB 4.36Å; Y496-V617 HydrophobicContact CG-CG1 4.24Å; Y496-V617 HydrophobicContact CG-CG2 3.96Å; L553-V617 HydrophobicContact CD1-CG2 3.64Å; L553-V617 HydrophobicContact CD2-CG2 4.47Å; V617-L620 WeakPolarHBondContact O-CB 3.36Å; V617-L620 PolarHBondContact O-N 3.3Å; V617-M621 HydrophobicContact CG1-CG 4.21Å; V617-M621 WeakPolarHBondContact O-CB 3.33Å; V617-M621 VanDerWaalsContact O-CG 3.24Å; V617-M621 WeakPolarHBondContact O-CG 3.45Å; V617-M621 PolarHBondContact O-N 3.23Å |
| 618 | E | 90.4 | Very high | 88.6 | Confident | 109 Ų | 109 | 52.7 Ų | 52.7 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.6 | -51.4 | 175.9 | -60.1 | 168 | 179.2 | 0 | 0 | 110.4 | L317 N616 L620 M621 M622 | L317-E618 HydrophobicContact CD2-CG 4.4Å; N616-E618 WeakPolarHBondContact OD1-CA 3.41Å; N616-E618 WeakPolarHBondContact OD1-CB 3.48Å; N616-E618 PolarHBondContact OD1-N 3.45Å; E618-L620 PolarHBondContact O-N 3.22Å; E618-M621 CarbonylContact O-C 3.55Å; E618-M621 PolarHBondContact O-N 3.17Å; E618-M622 WeakPolarHBondContact O-CG 3.3Å; E618-M622 PolarHBondContact O-N 3.49Å |
| 619 | Y | 91.6 | Very high | 88.6 | Confident | 141 Ų | 141 | 50.7 Ų | 50.7 | 55% | 0.553 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65.3 | -22.2 | 173.7 | -66.2 | -41.3 | 0 | 0 | 0 | 113.6 | N616 M622 | N616-Y619 HydrophobicContact CB-CD2 3.83Å; N616-Y619 VanDerWaalsContact CG-CD2 3.49Å; N616-Y619 PolarHBondContact OD1-N 3.34Å; Y619-M622 HydrophobicContact CD1-SD 4.06Å |
| 620 | L | 92.6 | Very high | 88.6 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.1 | -46.9 | 168.4 | -176.3 | 66 | 0 | 0 | 0 | 110.4 | L489 A549 L615 N616 V617 E618 M622 D623 I626 K642 | L489-L620 HydrophobicContact CD1-CD2 4.13Å; A549-L620 HydrophobicContact CB-CD2 4.49Å; L615-L620 HydrophobicContact CD1-CD2 4.3Å; L615-L620 HydrophobicContact CD2-CD2 4.48Å; N616-L620 PolarHBondContact O-N 3.28Å; N616-L620 VanDerWaalsContact O-N 3.17Å; V617-L620 WeakPolarHBondContact O-CB 3.36Å; V617-L620 PolarHBondContact O-N 3.3Å; E618-L620 PolarHBondContact O-N 3.22Å; L620-M622 VanDerWaalsContact C-N 3.29Å; L620-M622 PolarHBondContact O-N 2.83Å; L620-D623 PolarHBondContact O-N 2.86Å; L620-D623 VanDerWaalsContact O-N 3.1Å; L620-I626 HydrophobicContact CD1-CD1 4.22Å; L620-I626 HydrophobicContact CD1-CG2 3.91Å; L620-I626 HydrophobicContact CG-CD1 3.97Å; L620-I626 WeakPolarHBondContact O-CD1 3.04Å; L620-K642 HydrophobicContact CD1-CD 3.96Å; L620-K642 HydrophobicContact CD1-CG 4.22Å |
| 621 | M | 92.6 | Very high | 88.6 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.02 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72 | -16.1 | -178.5 | -72.1 | -58.7 | -53.5 | 0 | 0 | 114.6 | Y310 Q314 L317 C493 V617 E618 I626 | Y310-M621 HydrophobicContact CD2-CE 3.21Å; Y310-M621 HydrophobicContact CD2-SD 4.02Å; Y310-M621 HydrophobicContact CE2-CE 3.57Å; Y310-M621 VanDerWaalsContact CE2-O 3.28Å; Y310-M621 WeakPolarHBondContact CE2-O 3.39Å; Y310-M621 HydrophobicContact CE2-SD 4.3Å; Y310-M621 HydrophobicContact CG-CE 3.88Å; Y310-M621 VanDerWaalsContact CZ-O 3.32Å; Y310-M621 WeakPolarHBondContact O-CE 3.42Å; Y310-M621 PolarHBondContact OH-O 2.88Å; Q314-M621 HydrophobicContact CG-CE 3.7Å; Q314-M621 PolarHBondContact NE2-O 2.78Å; L317-M621 HydrophobicContact CD1-CB 3.97Å; L317-M621 HydrophobicContact CD1-CG 3.78Å; C493-M621 HydrophobicContact CB-CG 4.37Å; C493-M621 HydrophobicContact CB-SD 3.63Å; C493-M621 VanDerWaalsContact SG-SD 3.66Å; V617-M621 HydrophobicContact CG1-CG 4.21Å; V617-M621 WeakPolarHBondContact O-CB 3.33Å; V617-M621 VanDerWaalsContact O-CG 3.24Å; V617-M621 WeakPolarHBondContact O-CG 3.45Å; V617-M621 PolarHBondContact O-N 3.23Å; E618-M621 CarbonylContact O-C 3.55Å; E618-M621 PolarHBondContact O-N 3.17Å; M621-I626 HydrophobicContact SD-CD1 4.46Å |
| 622 | M | 91.7 | Very high | 88.6 | Confident | 103 Ų | 103 | 47.1 Ų | 47.1 | 51% | 0.507 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -18.1 | 167.9 | -66.2 | 176.9 | 82 | 0 | 0 | 113.7 | L254 E618 Y619 L620 A624 | L254-M622 HydrophobicContact CD1-CB 4.45Å; L254-M622 HydrophobicContact CD1-CG 4.14Å; E618-M622 WeakPolarHBondContact O-CG 3.3Å; E618-M622 PolarHBondContact O-N 3.49Å; Y619-M622 HydrophobicContact CD1-SD 4.06Å; L620-M622 VanDerWaalsContact C-N 3.29Å; L620-M622 PolarHBondContact O-N 2.83Å; M622-A624 PolarHBondContact O-N 3.04Å |
| 623 | D | 91.6 | Very high | 88.8 | Confident | 42 Ų | 42 | 45.7 Ų | 45.7 | 23% | 0.225 | 24% | 0.243 | C | C | . | . | trans | -86 | 101.8 | -174.7 | -174 | -16.2 | 0 | 0 | 0 | 111.8 | L620 S625 I626 K642 | L620-D623 PolarHBondContact O-N 2.86Å; L620-D623 VanDerWaalsContact O-N 3.1Å; D623-S625 VanDerWaalsContact CG-OG 3.26Å; D623-S625 PolarHBondContact O-N 3.12Å; D623-S625 VanDerWaalsContact OD1-CB 3.29Å; D623-S625 WeakPolarHBondContact OD1-CB 3.44Å; D623-S625 PolarHBondContact OD1-N 2.69Å; D623-S625 PolarHBondContact OD1-OG 2.78Å; D623-S625 PolarHBondContact OD2-OG 3.41Å; D623-I626 WeakPolarHBondContact O-CG1 3.01Å; D623-I626 PolarHBondContact O-N 3.23Å; D623-K642 VanDerWaalsContact CB-NZ 3.29Å; D623-K642 WeakPolarHBondContact OD2-CD 3.5Å; D623-K642 IonicContact OD2-NZ 2.84Å; D623-K642 PolarHBondContact OD2-NZ 2.66Å | ||
| 624 | A | 91.6 | Very high | 89 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -53.6 | -19.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L246 V250 M622 I626 L627 | L246-A624 WeakPolarHBondContact CD2-O 3.49Å; L246-A624 HydrophobicContact CG-CB 4.2Å; V250-A624 HydrophobicContact CB-CB 4Å; V250-A624 HydrophobicContact CG1-CB 4.39Å; V250-A624 HydrophobicContact CG2-CB 3.72Å; M622-A624 PolarHBondContact O-N 3.04Å; A624-I626 VanDerWaalsContact C-N 3.34Å; A624-I626 PolarHBondContact O-N 2.8Å; A624-L627 WeakPolarHBondContact O-CB 3.45Å; A624-L627 PolarHBondContact O-N 2.71Å |
| 625 | S | 89.9 | Confident | 89.1 | Confident | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -75.7 | -16.7 | -178.8 | 68.6 | 0 | 0 | 0 | 0 | 114.9 | D623 L627 L628 | D623-S625 VanDerWaalsContact CG-OG 3.26Å; D623-S625 PolarHBondContact O-N 3.12Å; D623-S625 VanDerWaalsContact OD1-CB 3.29Å; D623-S625 WeakPolarHBondContact OD1-CB 3.44Å; D623-S625 PolarHBondContact OD1-N 2.69Å; D623-S625 PolarHBondContact OD1-OG 2.78Å; D623-S625 PolarHBondContact OD2-OG 3.41Å; S625-L627 VanDerWaalsContact C-N 3.27Å; S625-L627 PolarHBondContact O-N 3.21Å; S625-L628 PolarHBondContact O-N 3.21Å |
| 626 | I | 91.7 | Very high | 88.9 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -75.3 | -19 | 175.9 | 73.6 | 175.3 | 0 | 0 | 0 | 112.9 | Y310 L489 F490 L620 M621 D623 A624 L628 K642 | Y310-I626 HydrophobicContact CE2-CD1 4.4Å; Y310-I626 HydrophobicContact CE2-CG1 4.44Å; L489-I626 HydrophobicContact CD2-CD1 4.49Å; F490-I626 HydrophobicContact CE1-CD1 3.69Å; F490-I626 HydrophobicContact CE1-CG1 3.75Å; F490-I626 HydrophobicContact CZ-CD1 4.4Å; F490-I626 HydrophobicContact CZ-CG1 4.01Å; F490-I626 VanDerWaalsContact CZ-O 3.28Å; F490-I626 WeakPolarHBondContact CZ-O 3.45Å; L620-I626 HydrophobicContact CD1-CD1 4.22Å; L620-I626 HydrophobicContact CD1-CG2 3.91Å; L620-I626 HydrophobicContact CG-CD1 3.97Å; L620-I626 WeakPolarHBondContact O-CD1 3.04Å; M621-I626 HydrophobicContact SD-CD1 4.46Å; D623-I626 WeakPolarHBondContact O-CG1 3.01Å; D623-I626 PolarHBondContact O-N 3.23Å; A624-I626 VanDerWaalsContact C-N 3.34Å; A624-I626 PolarHBondContact O-N 2.8Å; I626-L628 PolarHBondContact O-N 3.31Å; I626-K642 HydrophobicContact CG2-CB 4.45Å; I626-K642 HydrophobicContact CG2-CD 3.95Å |
| 627 | L | 91 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -70.9 | -12.5 | 173.2 | -80.5 | 174.1 | 0 | 0 | 0 | 113.4 | L230 V234 L246 V250 V307 Y310 Y486 F490 A624 S625 | L230-L627 HydrophobicContact CD2-CD1 3.95Å; V234-L627 VanDerWaalsContact CG1-O 3.25Å; V234-L627 WeakPolarHBondContact CG1-O 3.06Å; V234-L627 HydrophobicContact CG2-CB 4.05Å; V234-L627 HydrophobicContact CG2-CD1 4.31Å; L246-L627 HydrophobicContact CD2-CB 4.42Å; V250-L627 HydrophobicContact CG2-CD1 3.97Å; V307-L627 HydrophobicContact CG2-CD2 4.34Å; Y310-L627 HydrophobicContact CD1-CD1 3.89Å; Y310-L627 HydrophobicContact CD1-CD2 3.78Å; Y310-L627 HydrophobicContact CD1-CG 4.09Å; Y310-L627 HydrophobicContact CD2-CD2 4.04Å; Y310-L627 HydrophobicContact CD2-CG 4.17Å; Y310-L627 HydrophobicContact CE1-CD1 3.63Å; Y310-L627 HydrophobicContact CE1-CD2 4.33Å; Y310-L627 HydrophobicContact CE1-CG 4.13Å; Y310-L627 HydrophobicContact CE2-CD1 4.48Å; Y310-L627 HydrophobicContact CE2-CG 4.21Å; Y310-L627 HydrophobicContact CG-CD1 4.4Å; Y310-L627 HydrophobicContact CG-CD2 3.59Å; Y310-L627 HydrophobicContact CG-CG 4.09Å; Y486-L627 PolarHBondContact OH-O 3.15Å; F490-L627 HydrophobicContact CE1-CD2 4.42Å; F490-L627 HydrophobicContact CZ-CD2 4.04Å; A624-L627 WeakPolarHBondContact O-CB 3.45Å; A624-L627 PolarHBondContact O-N 2.71Å; S625-L627 VanDerWaalsContact C-N 3.27Å; S625-L627 PolarHBondContact O-N 3.21Å |
| 628 | L | 88.7 | Confident | 88.4 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -90.1 | 152.1 | 174.2 | -59.8 | -179.9 | 0 | 0 | 0 | 110.2 | D237 H240 R243 L246 S625 I626 | D237-L628 HydrophobicContact CB-CD2 4.15Å; H240-L628 HydrophobicContact CB-CD1 4.05Å; R243-L628 HydrophobicContact CG-CD1 4.05Å; L246-L628 HydrophobicContact CD2-CD1 4.48Å; L246-L628 HydrophobicContact CD2-CD2 3.78Å; L246-L628 HydrophobicContact CD2-CG 4Å; S625-L628 PolarHBondContact O-N 3.21Å; I626-L628 PolarHBondContact O-N 3.31Å |
| 629 | P | 86.9 | Confident | 88.4 | Confident | 33 Ų | 33 | 42.8 Ų | 42.8 | 21% | 0.214 | 25% | 0.251 | C | S | . | . | trans | -55.9 | 142 | -179.5 | -28.4 | 36.7 | 0 | 0 | 0 | 113.1 | E238 Y486 T631 | E238-P629 WeakPolarHBondContact OE1-CG 3.49Å; Y486-P629 HydrophobicContact CE1-CG 4.46Å; P629-T631 PolarHBondContact O-N 3.08Å | ||
| 630 | P | 86.4 | Confident | 88.3 | Confident | 25 Ų | 25 | 36.6 Ų | 36.6 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | trans | -57.2 | 97.7 | -172.7 | -28.5 | 36.7 | 0 | 0 | 0 | 114.7 | Y486 L644 | Y486-P630 HydrophobicContact CD2-CG 4.34Å; Y486-P630 HydrophobicContact CG-CG 4.5Å; P630-L644 HydrophobicContact CB-CD1 4.17Å; P630-L644 HydrophobicContact CB-CG 4.11Å | ||
| 631 | T | 85.6 | Confident | 88.2 | Confident | 22 Ų | 22 | 38 Ų | 38 | 14% | 0.135 | 24% | 0.235 | C | C | . | . | trans | -68.5 | 147.7 | -178.6 | -169.4 | 0 | 0 | 0 | 0 | 113.2 | P629 T636 I638 R643 L644 | P629-T631 PolarHBondContact O-N 3.08Å; T631-T636 HydrophobicContact CG2-CG2 3.94Å; T631-I638 HydrophobicContact CG2-CD1 4.11Å; T631-R643 HydrophobicContact CG2-CB 3.89Å; T631-R643 WeakPolarHBondContact O-CB 3.41Å; T631-L644 WeakPolarHBondContact O-CB 3.35Å; T631-L644 PolarHBondContact O-N 3.26Å | ||
| 632 | G | 85.1 | Confident | 88.2 | Confident | 41 Ų | 41 | 39.9 Ų | 39.9 | 42% | 0.423 | 24% | 0.243 | S | C | . | . | trans | -105.3 | 16 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | C646 | G632-C646 WeakPolarHBondContact O-CB 3.5Š| ||
| 633 | T | 85 | Confident | 88.2 | Confident | 47 Ų | 47 | 35.6 Ų | 35.6 | 29% | 0.288 | 22% | 0.222 | S | C | . | . | trans | -133.2 | 136.4 | -176.2 | 175.5 | 0 | 0 | 0 | 0 | 113.4 | L635 T636 | T633-L635 PolarHBondContact O-N 3.43Å; T633-L635 WeakPolarHBondContact OG1-CG 3.32Å; T633-L635 PolarHBondContact OG1-N 3.39Å; T633-T636 HydrophobicContact CG2-CG2 4.22Å; T633-T636 PolarHBondContact O-OG1 3Å | ||
| 634 | P | 85.4 | Confident | 88.2 | Confident | 59 Ų | 59 | 35 Ų | 35 | 38% | 0.383 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -68.2 | -16.1 | 175.4 | 29.5 | -36.7 | 0 | 0 | 0 | 113.3 | T636 G637 | P634-T636 PolarHBondContact O-N 3.11Å; P634-T636 VanDerWaalsContact O-N 3.11Å; P634-G637 PolarHBondContact O-N 3.43Å |
| 635 | L | 84.8 | Confident | 88.2 | Confident | 163 Ų | 163 | 36.2 Ų | 36.2 | 85% | 0.853 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -63.6 | -16.6 | -177.9 | -61.8 | 178.1 | 0 | 0 | 0 | 113.7 | T633 G637 | T633-L635 PolarHBondContact O-N 3.43Å; T633-L635 WeakPolarHBondContact OG1-CG 3.32Å; T633-L635 PolarHBondContact OG1-N 3.39Å; L635-G637 VanDerWaalsContact C-N 3.26Å; L635-G637 PolarHBondContact O-N 3.16Å |
| 636 | T | 83.5 | Confident | 88.2 | Confident | 31 Ų | 31 | 38.6 Ų | 38.6 | 19% | 0.19 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -71 | -17 | 173.5 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | H240 R243 T631 T633 P634 I638 | H240-T636 HydrophobicContact CB-CG2 4.29Å; R243-T636 PolarHBondContact NH1-O 3.39Å; T631-T636 HydrophobicContact CG2-CG2 3.94Å; T633-T636 HydrophobicContact CG2-CG2 4.22Å; T633-T636 PolarHBondContact O-OG1 3Å; P634-T636 PolarHBondContact O-N 3.11Å; P634-T636 VanDerWaalsContact O-N 3.11Å; T636-I638 VanDerWaalsContact C-N 3.27Å; T636-I638 PolarHBondContact O-N 3.48Å; T636-I638 PolarHBondContact OG1-N 2.76Å |
| 637 | G | 84.2 | Confident | 88.1 | Confident | 58 Ų | 58 | 40.5 Ų | 40.5 | 60% | 0.598 | 26% | 0.262 | S | S | * | . | trans | 64.7 | 30.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113 | R243 P634 L635 | R243-G637 PolarHBondContact NH1-O 3.23Å; P634-G637 PolarHBondContact O-N 3.43Å; L635-G637 VanDerWaalsContact C-N 3.26Å; L635-G637 PolarHBondContact O-N 3.16Å | ||
| 638 | I | 86.9 | Confident | 88.1 | Confident | 14 Ų | 14 | 46.4 Ų | 46.4 | 7% | 0.072 | 29% | 0.293 | C | S | . | . | trans | -95.2 | 135.3 | 168.3 | -64.1 | 178.5 | 0 | 0 | 0 | 108.6 | T631 T636 K642 R643 | T631-I638 HydrophobicContact CG2-CD1 4.11Å; T636-I638 VanDerWaalsContact C-N 3.27Å; T636-I638 PolarHBondContact O-N 3.48Å; T636-I638 PolarHBondContact OG1-N 2.76Å; I638-K642 HydrophobicContact CG2-CB 3.92Å; I638-R643 HydrophobicContact CG2-CB 4.06Å; I638-R643 HydrophobicContact CG2-CG 4.5Å; I638-R643 WeakPolarHBondContact O-CD 3.35Å; I638-R643 PolarHBondContact O-NE 2.62Å | ||
| 639 | D | 88.6 | Confident | 88.2 | Confident | 99 Ų | 99 | 50.7 Ų | 50.7 | 53% | 0.529 | 32% | 0.32 | S | S | . | . | trans | -61.6 | 146.8 | 178.7 | 177.5 | 60.6 | 0 | 0 | 0 | 112.3 | V641 K642 R643 | D639-V641 PolarHBondContact O-N 2.89Å; D639-V641 VanDerWaalsContact O-N 3.17Å; D639-V641 WeakPolarHBondContact OD2-CB 3.4Å; D639-V641 WeakPolarHBondContact OD2-CG2 3.43Å; D639-V641 PolarHBondContact OD2-N 3.16Å; D639-K642 PolarHBondContact O-N 2.96Å; D639-R643 WeakPolarHBondContact O-CG 3.47Å | ||
| 640 | F | 90.6 | Very high | 88.4 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 5% | 0.048 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -54.8 | -34.1 | -176.8 | 178.9 | -125.7 | 0 | 0 | 0 | 113.6 | L548 K642 P645 E650 R653 K654 | L548-F640 HydrophobicContact CD1-CD1 4.05Å; L548-F640 HydrophobicContact CD1-CE1 3.67Å; L548-F640 HydrophobicContact CD1-CZ 4.19Å; F640-K642 PolarHBondContact O-N 3.37Å; F640-P645 HydrophobicContact CE2-CB 4.02Å; F640-E650 HydrophobicContact CD2-CB 4.48Å; F640-E650 HydrophobicContact CD2-CG 4.45Å; F640-E650 HydrophobicContact CE2-CB 3.8Å; F640-E650 HydrophobicContact CE2-CG 4.22Å; F640-E650 HydrophobicContact CZ-CB 4.28Å; F640-E650 WeakPolarHBondContact CZ-O 3.2Å; F640-R653 HydrophobicContact CE1-CB 3.84Å; F640-R653 HydrophobicContact CZ-CB 4.02Å; F640-K654 HydrophobicContact CZ-CB 4.18Å |
| 641 | V | 90.9 | Very high | 88.8 | Confident | 31 Ų | 31 | 52.1 Ų | 52.1 | 19% | 0.188 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -66.9 | -28.1 | -179.1 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | L548 A549 D639 | L548-V641 HydrophobicContact CB-CG1 4.03Å; L548-V641 PolarHBondContact N-O 3.46Å; A549-V641 HydrophobicContact CB-CG1 4.14Å; A549-V641 PolarHBondContact N-O 2.99Å; D639-V641 PolarHBondContact O-N 2.89Å; D639-V641 VanDerWaalsContact O-N 3.17Å; D639-V641 WeakPolarHBondContact OD2-CB 3.4Å; D639-V641 WeakPolarHBondContact OD2-CG2 3.43Å; D639-V641 PolarHBondContact OD2-N 3.16Å |
| 642 | K | 91.5 | Very high | 89.2 | Confident | 43 Ų | 43 | 51.8 Ų | 51.8 | 19% | 0.187 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -98 | 1.4 | -173.6 | -56.7 | -169.9 | -176.7 | -169.8 | 0 | 114.4 | R547 L620 D623 I626 I638 D639 F640 | R547-K642 WeakPolarHBondContact CD-O 3.49Å; L620-K642 HydrophobicContact CD1-CD 3.96Å; L620-K642 HydrophobicContact CD1-CG 4.22Å; D623-K642 VanDerWaalsContact CB-NZ 3.29Å; D623-K642 WeakPolarHBondContact OD2-CD 3.5Å; D623-K642 IonicContact OD2-NZ 2.84Å; D623-K642 PolarHBondContact OD2-NZ 2.66Å; I626-K642 HydrophobicContact CG2-CB 4.45Å; I626-K642 HydrophobicContact CG2-CD 3.95Å; I638-K642 HydrophobicContact CG2-CB 3.92Å; D639-K642 PolarHBondContact O-N 2.96Å; F640-K642 PolarHBondContact O-N 3.37Å |
| 643 | R | 91.9 | Very high | 89.6 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 5% | 0.053 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -137.1 | 180 | -174.9 | 72 | 174.7 | 170.5 | 73.4 | 2.1 | 113 | T631 I638 D639 E650 | T631-R643 HydrophobicContact CG2-CB 3.89Å; T631-R643 WeakPolarHBondContact O-CB 3.41Å; I638-R643 HydrophobicContact CG2-CB 4.06Å; I638-R643 HydrophobicContact CG2-CG 4.5Å; I638-R643 WeakPolarHBondContact O-CD 3.35Å; I638-R643 PolarHBondContact O-NE 2.62Å; D639-R643 WeakPolarHBondContact O-CG 3.47Å; R643-E650 IonicContact CZ-OE1 2.67Å; R643-E650 IonicContact CZ-OE2 3.74Å; R643-E650 IonicContact NH1-OE1 2.76Å; R643-E650 IonicContact NH1-OE2 3.33Å; R643-E650 PolarHBondContact NH1-OE2 2.89Å; R643-E650 IonicContact NH2-OE1 3.86Å; R643-E650 PolarHBondContact NH2-OE1 2.84Å; R643-E650 IonicContact NH2-OE2 2.73Å; R643-E650 PolarHBondContact NH2-OE2 2.76Å |
| 644 | L | 91.4 | Very high | 90 | Very high | 29 Ų | 29 | 51.8 Ų | 51.8 | 15% | 0.152 | 30% | 0.301 | C | S | . | . | trans | -87.2 | 152.1 | 176.6 | -60.6 | 179.6 | 0 | 0 | 0 | 111.8 | K545 R547 P630 T631 | K545-L644 HydrophobicContact CB-CD2 4.5Å; K545-L644 WeakPolarHBondContact O-CD2 3.47Å; R547-L644 HydrophobicContact CG-CD2 3.99Å; P630-L644 HydrophobicContact CB-CD1 4.17Å; P630-L644 HydrophobicContact CB-CG 4.11Å; T631-L644 WeakPolarHBondContact O-CB 3.35Å; T631-L644 PolarHBondContact O-N 3.26Å | ||
| 645 | P | 91.9 | Very high | 90.5 | Very high | 31 Ų | 31 | 49 Ų | 49 | 20% | 0.201 | 28% | 0.283 | C | S | . | . | trans | -72.9 | 134.8 | -177.2 | 28.3 | -35.4 | 0 | 0 | 0 | 113.4 | F640 E650 K651 K654 | F640-P645 HydrophobicContact CE2-CB 4.02Å; P645-E650 HydrophobicContact CB-CB 3.8Å; P645-K651 HydrophobicContact CB-CG 4.34Å; P645-K651 HydrophobicContact CG-CG 4.33Å; P645-K654 HydrophobicContact CG-CD 4.11Å | ||
| 646 | C | 90.3 | Very high | 91 | Very high | 55 Ų | 55 | 41.3 Ų | 41.3 | 37% | 0.372 | 24% | 0.242 | S | C | . | . | trans | -102.9 | 105.5 | 177.6 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | G632 E650 | G632-C646 WeakPolarHBondContact O-CB 3.5Å; C646-E650 WeakPolarHBondContact CB-OE2 3.37Å; C646-E650 PolarHBondContact N-OE2 2.76Å | ||
| 647 | G | 90.1 | Very high | 91.6 | Very high | 43 Ų | 43 | 40.3 Ų | 40.3 | 44% | 0.443 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | 72.6 | 177.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V649 E650 K651 | G647-V649 VanDerWaalsContact C-N 3.33Å; G647-V649 PolarHBondContact O-N 3.37Å; G647-E650 PolarHBondContact O-N 3.17Å; G647-K651 PolarHBondContact O-N 3.05Å |
| 648 | D | 89.9 | Confident | 92.1 | Very high | 123 Ų | 123 | 37.6 Ų | 37.6 | 66% | 0.658 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -65.4 | -32 | -163.7 | -58 | -29.4 | 0 | 0 | 0 | 114.1 | T652 | D648-T652 WeakPolarHBondContact O-CB 3.33Å; D648-T652 PolarHBondContact O-N 3.14Å; D648-T652 PolarHBondContact O-OG1 3.31Å |
| 649 | V | 90.7 | Very high | 92.6 | Very high | 93 Ų | 93 | 37.1 Ų | 37.1 | 56% | 0.564 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -64.6 | -48 | 176.4 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | M602 G647 T652 R653 | M602-V649 HydrophobicContact SD-CG1 4.02Å; G647-V649 VanDerWaalsContact C-N 3.33Å; G647-V649 PolarHBondContact O-N 3.37Å; V649-T652 WeakPolarHBondContact O-CB 3.47Å; V649-T652 PolarHBondContact O-N 3.09Å; V649-R653 VanDerWaalsContact O-CG 3.31Å; V649-R653 WeakPolarHBondContact O-CG 3.46Å; V649-R653 PolarHBondContact O-N 3.2Å |
| 650 | E | 92.7 | Very high | 92.9 | Very high | 23 Ų | 23 | 32.6 Ų | 32.6 | 11% | 0.107 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -74.3 | -31 | 178.6 | -67 | -165.2 | 164 | 0 | 0 | 112.6 | F640 R643 P645 C646 G647 T652 R653 K654 | F640-E650 HydrophobicContact CD2-CB 4.48Å; F640-E650 HydrophobicContact CD2-CG 4.45Å; F640-E650 HydrophobicContact CE2-CB 3.8Å; F640-E650 HydrophobicContact CE2-CG 4.22Å; F640-E650 HydrophobicContact CZ-CB 4.28Å; F640-E650 WeakPolarHBondContact CZ-O 3.2Å; R643-E650 IonicContact CZ-OE1 2.67Å; R643-E650 IonicContact CZ-OE2 3.74Å; R643-E650 IonicContact NH1-OE1 2.76Å; R643-E650 IonicContact NH1-OE2 3.33Å; R643-E650 PolarHBondContact NH1-OE2 2.89Å; R643-E650 IonicContact NH2-OE1 3.86Å; R643-E650 PolarHBondContact NH2-OE1 2.84Å; R643-E650 IonicContact NH2-OE2 2.73Å; R643-E650 PolarHBondContact NH2-OE2 2.76Å; P645-E650 HydrophobicContact CB-CB 3.8Å; C646-E650 WeakPolarHBondContact CB-OE2 3.37Å; C646-E650 PolarHBondContact N-OE2 2.76Å; G647-E650 PolarHBondContact O-N 3.17Å; E650-T652 VanDerWaalsContact C-N 3.33Å; E650-R653 PolarHBondContact O-N 3Å; E650-K654 WeakPolarHBondContact O-CB 3.28Å; E650-K654 PolarHBondContact O-N 3.3Å |
| 651 | K | 92.9 | Very high | 93.1 | Very high | 65 Ų | 65 | 32.7 Ų | 32.7 | 28% | 0.283 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.3 | -42.8 | 167.9 | -75.8 | -166.7 | 167.7 | -149.2 | 0 | 111.2 | P542 D543 F592 P645 G647 K654 A655 | P542-K651 PolarHBondContact O-NZ 3.41Å; D543-K651 IonicContact OD1-NZ 2.72Å; D543-K651 PolarHBondContact OD1-NZ 3.13Å; F592-K651 HydrophobicContact CE1-CB 4.15Å; F592-K651 HydrophobicContact CZ-CB 3.91Å; P645-K651 HydrophobicContact CB-CG 4.34Å; P645-K651 HydrophobicContact CG-CG 4.33Å; G647-K651 PolarHBondContact O-N 3.05Å; K651-K654 PolarHBondContact O-N 3.3Å; K651-A655 PolarHBondContact O-N 3.43Å |
| 652 | T | 94 | Very high | 93.4 | Very high | 14 Ų | 14 | 31.2 Ų | 31.2 | 9% | 0.086 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.6 | -48.3 | 175.1 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | F592 F599 M602 D648 V649 E650 K654 A655 I656 | F592-T652 HydrophobicContact CB-CG2 3.93Å; F592-T652 WeakPolarHBondContact CD1-OG1 3.35Å; F592-T652 HydrophobicContact CG-CG2 4.27Å; F599-T652 HydrophobicContact CD2-CG2 4.12Å; F599-T652 HydrophobicContact CE2-CG2 4.09Å; M602-T652 HydrophobicContact CE-CG2 3.75Å; D648-T652 WeakPolarHBondContact O-CB 3.33Å; D648-T652 PolarHBondContact O-N 3.14Å; D648-T652 PolarHBondContact O-OG1 3.31Å; V649-T652 WeakPolarHBondContact O-CB 3.47Å; V649-T652 PolarHBondContact O-N 3.09Å; E650-T652 VanDerWaalsContact C-N 3.33Å; T652-K654 VanDerWaalsContact C-N 3.33Å; T652-K654 PolarHBondContact O-N 2.76Å; T652-A655 PolarHBondContact O-N 3.3Å; T652-A655 VanDerWaalsContact O-N 3.15Å; T652-I656 HydrophobicContact CG2-CD1 3.98Å; T652-I656 WeakPolarHBondContact O-CG1 3.3Å; T652-I656 PolarHBondContact O-N 3.36Å |
| 653 | R | 93.9 | Very high | 93.6 | Very high | 75 Ų | 75 | 30.9 Ų | 30.9 | 28% | 0.283 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.3 | -39.2 | 177 | -67.9 | 172.4 | 68 | -157.5 | -2.7 | 112.4 | M602 E606 F640 V649 E650 R657 | M602-R653 HydrophobicContact SD-CG 4.24Å; E606-R653 HydrophobicContact CG-CB 4.3Å; E606-R653 HydrophobicContact CG-CG 4.36Å; E606-R653 IonicContact OE1-CZ 2.71Å; E606-R653 IonicContact OE1-NE 2.62Å; E606-R653 PolarHBondContact OE1-NE 3.2Å; E606-R653 IonicContact OE1-NH2 2.66Å; E606-R653 PolarHBondContact OE1-NH2 2.95Å; F640-R653 HydrophobicContact CE1-CB 3.84Å; F640-R653 HydrophobicContact CZ-CB 4.02Å; V649-R653 VanDerWaalsContact O-CG 3.31Å; V649-R653 WeakPolarHBondContact O-CG 3.46Å; V649-R653 PolarHBondContact O-N 3.2Å; E650-R653 PolarHBondContact O-N 3Å; R653-R657 PolarHBondContact O-N 2.77Å; R653-R657 VanDerWaalsContact O-N 3.11Å |
| 654 | K | 94.6 | Very high | 93.7 | Very high | 14 Ų | 14 | 32.3 Ų | 32.3 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -51.6 | 171.2 | 172.8 | 174.3 | 169.4 | 169.5 | 0 | 110.8 | A539 G544 V546 L548 F640 P645 E650 K651 T652 I656 R657 V658 | A539-K654 WeakPolarHBondContact O-CE 3.39Å; G544-K654 PolarHBondContact O-NZ 3.29Å; V546-K654 PolarHBondContact O-NZ 2.72Å; L548-K654 HydrophobicContact CD2-CG 4.21Å; F640-K654 HydrophobicContact CZ-CB 4.18Å; P645-K654 HydrophobicContact CG-CD 4.11Å; E650-K654 WeakPolarHBondContact O-CB 3.28Å; E650-K654 PolarHBondContact O-N 3.3Å; K651-K654 PolarHBondContact O-N 3.3Å; T652-K654 VanDerWaalsContact C-N 3.33Å; T652-K654 PolarHBondContact O-N 2.76Å; K654-I656 VanDerWaalsContact C-N 3.29Å; K654-I656 PolarHBondContact O-N 2.81Å; K654-R657 WeakPolarHBondContact O-CB 3.37Å; K654-R657 PolarHBondContact O-N 3.26Å; K654-R657 VanDerWaalsContact O-N 3.08Å; K654-V658 HydrophobicContact CG-CG2 3.92Å; K654-V658 WeakPolarHBondContact O-CG2 3.43Å; K654-V658 PolarHBondContact O-N 3.43Å |
| 655 | A | 95.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.9 | -41.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L588 L589 F592 K651 T652 V658 F659 | L588-A655 HydrophobicContact CD2-CB 3.99Å; L588-A655 HydrophobicContact CG-CB 4Å; L589-A655 HydrophobicContact CD1-CB 4.06Å; F592-A655 HydrophobicContact CD2-CB 3.94Å; F592-A655 HydrophobicContact CE2-CB 3.98Å; K651-A655 PolarHBondContact O-N 3.43Å; T652-A655 PolarHBondContact O-N 3.3Å; T652-A655 VanDerWaalsContact O-N 3.15Å; A655-V658 PolarHBondContact O-N 3.36Å; A655-F659 WeakPolarHBondContact O-CB 3.41Å; A655-F659 PolarHBondContact O-N 3.41Å |
| 656 | I | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.8 | -47.9 | 173.6 | -68.4 | 166.6 | 0 | 0 | 0 | 111.1 | L589 F599 M602 F603 E606 T652 K654 F660 | L589-I656 HydrophobicContact CD1-CB 4.49Å; L589-I656 HydrophobicContact CD1-CG1 3.6Å; L589-I656 HydrophobicContact CD2-CG1 4.47Å; F599-I656 HydrophobicContact CZ-CG1 4.5Å; M602-I656 HydrophobicContact CB-CD1 4.2Å; F603-I656 HydrophobicContact CB-CD1 4.44Å; F603-I656 HydrophobicContact CD2-CG1 4.29Å; F603-I656 HydrophobicContact CD2-CG2 4.14Å; E606-I656 HydrophobicContact CB-CG2 3.73Å; E606-I656 HydrophobicContact CG-CG2 4.27Å; T652-I656 HydrophobicContact CG2-CD1 3.98Å; T652-I656 WeakPolarHBondContact O-CG1 3.3Å; T652-I656 PolarHBondContact O-N 3.36Å; K654-I656 VanDerWaalsContact C-N 3.29Å; K654-I656 PolarHBondContact O-N 2.81Å; I656-F660 HydrophobicContact CG2-CD2 3.79Å; I656-F660 HydrophobicContact CG2-CE2 3.24Å; I656-F660 HydrophobicContact CG2-CZ 3.81Å; I656-F660 WeakPolarHBondContact O-CD2 3.37Å; I656-F660 WeakPolarHBondContact O-CG 3.46Å; I656-F660 PolarHBondContact O-N 2.9Å |
| 657 | R | 94.4 | Very high | 94.1 | Very high | 11 Ų | 11 | 28.3 Ų | 28.3 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.1 | -50.3 | 177.8 | -79.6 | -76.1 | -174.5 | 128.6 | 13.3 | 113.1 | L548 E606 S609 R653 K654 F659 F660 M661 | L548-R657 HydrophobicContact CD1-CB 4.13Å; L548-R657 HydrophobicContact CD1-CG 3.98Å; L548-R657 HydrophobicContact CD2-CB 3.66Å; L548-R657 HydrophobicContact CD2-CG 4.41Å; E606-R657 PolarHBondContact O-NE 3.28Å; E606-R657 IonicContact OE2-CZ 3.57Å; E606-R657 IonicContact OE2-NE 2.63Å; E606-R657 PolarHBondContact OE2-NE 3.15Å; E606-R657 IonicContact OE2-NH2 3.84Å; E606-R657 PolarHBondContact OE2-NH2 3.46Å; S609-R657 PolarHBondContact OG-NH2 3.05Å; R653-R657 PolarHBondContact O-N 2.77Å; R653-R657 VanDerWaalsContact O-N 3.11Å; K654-R657 WeakPolarHBondContact O-CB 3.37Å; K654-R657 PolarHBondContact O-N 3.26Å; K654-R657 VanDerWaalsContact O-N 3.08Å; R657-F659 VanDerWaalsContact C-N 3.28Å; R657-F659 PolarHBondContact O-N 3.47Å; R657-F660 PolarHBondContact O-N 3.09Å; R657-F660 VanDerWaalsContact O-N 3.15Å; R657-M661 HydrophobicContact CB-SD 4.1Å; R657-M661 WeakPolarHBondContact O-CB 3.49Å; R657-M661 WeakPolarHBondContact O-CG 3.36Å; R657-M661 PolarHBondContact O-N 3.09Å; R657-M661 VanDerWaalsContact O-SD 3.37Å |
| 658 | V | 96.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.9 | -45.3 | -179.5 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | A539 A540 L548 L551 K654 A655 M661 L662 | A539-V658 HydrophobicContact CB-CG1 4.46Å; A540-V658 HydrophobicContact CB-CG1 4.41Å; L548-V658 HydrophobicContact CD2-CG2 4.35Å; L551-V658 HydrophobicContact CD2-CB 4.07Å; L551-V658 HydrophobicContact CD2-CG1 3.87Å; L551-V658 HydrophobicContact CD2-CG2 3.79Å; K654-V658 HydrophobicContact CG-CG2 3.92Å; K654-V658 WeakPolarHBondContact O-CG2 3.43Å; K654-V658 PolarHBondContact O-N 3.43Å; A655-V658 PolarHBondContact O-N 3.36Å; V658-M661 PolarHBondContact O-N 2.95Å; V658-L662 HydrophobicContact CG1-CD1 3.94Å; V658-L662 HydrophobicContact CG1-CG 4.4Å; V658-L662 WeakPolarHBondContact O-CG 3.37Å; V658-L662 PolarHBondContact O-N 3.28Å |
| 659 | F | 96.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 1% | 0.013 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57 | -51.9 | 173.8 | 168.6 | -103 | 0 | 0 | 0 | 112.6 | L586 L589 F603 A655 R657 M661 R663 L816 | L586-F659 HydrophobicContact CB-CD2 4.05Å; L586-F659 HydrophobicContact CB-CE2 4.13Å; L586-F659 HydrophobicContact CD1-CE2 4.04Å; L586-F659 HydrophobicContact CG-CD2 4.25Å; L586-F659 HydrophobicContact CG-CE2 3.86Å; L589-F659 HydrophobicContact CD2-CB 3.67Å; L589-F659 HydrophobicContact CD2-CD1 3.65Å; L589-F659 HydrophobicContact CD2-CD2 4.35Å; L589-F659 HydrophobicContact CD2-CE1 4.38Å; L589-F659 HydrophobicContact CD2-CG 3.63Å; F603-F659 HydrophobicContact CE2-CE1 4.44Å; F603-F659 HydrophobicContact CZ-CE1 4.45Å; A655-F659 WeakPolarHBondContact O-CB 3.41Å; A655-F659 PolarHBondContact O-N 3.41Å; R657-F659 VanDerWaalsContact C-N 3.28Å; R657-F659 PolarHBondContact O-N 3.47Å; F659-M661 VanDerWaalsContact C-N 3.32Å; F659-M661 PolarHBondContact O-N 3.14Å; F659-R663 WeakPolarHBondContact O-CB 3.46Å; F659-R663 PolarHBondContact O-N 2.95Å; F659-L816 HydrophobicContact CE2-CD2 4.38Å; F659-L816 HydrophobicContact CZ-CD2 4.42Å |
| 660 | F | 95.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 178.9 | -69.2 | -36.3 | 0 | 0 | 0 | 112.9 | F603 E606 Y607 M610 I656 R657 S664 L677 | F603-F660 HydrophobicContact CD1-CE1 4.49Å; F603-F660 AromaticContact CD1-CZ 3.87Å; F603-F660 HydrophobicContact CD1-CZ 3.87Å; F603-F660 HydrophobicContact CD2-CE1 4.47Å; F603-F660 AromaticContact CD2-CZ 3.95Å; F603-F660 HydrophobicContact CD2-CZ 3.95Å; F603-F660 AromaticContact CE1-CE1 3.8Å; F603-F660 HydrophobicContact CE1-CE1 3.8Å; F603-F660 AromaticContact CE1-CZ 3.64Å; F603-F660 HydrophobicContact CE1-CZ 3.64Å; F603-F660 AromaticContact CE2-CE1 3.78Å; F603-F660 HydrophobicContact CE2-CE1 3.78Å; F603-F660 AromaticContact CE2-CZ 3.72Å; F603-F660 HydrophobicContact CE2-CZ 3.72Å; F603-F660 HydrophobicContact CG-CZ 4.04Å; F603-F660 AromaticContact CZ-CE1 3.41Å; F603-F660 HydrophobicContact CZ-CE1 3.41Å; F603-F660 VanDerWaalsContact CZ-CE1 3.41Å; F603-F660 AromaticContact CZ-CZ 3.57Å; F603-F660 HydrophobicContact CZ-CZ 3.57Å; E606-F660 HydrophobicContact CB-CE2 4.37Å; Y607-F660 HydrophobicContact CD2-CD1 4.04Å; Y607-F660 HydrophobicContact CD2-CD2 4.11Å; Y607-F660 AromaticContact CD2-CE1 3.94Å; Y607-F660 HydrophobicContact CD2-CE1 3.94Å; Y607-F660 HydrophobicContact CD2-CE2 4.01Å; Y607-F660 HydrophobicContact CD2-CG 4.14Å; Y607-F660 AromaticContact CD2-CZ 3.93Å; Y607-F660 HydrophobicContact CD2-CZ 3.93Å; Y607-F660 HydrophobicContact CG-CE2 4.35Å; Y607-F660 HydrophobicContact CG-CZ 4.32Å; M610-F660 HydrophobicContact CE-CB 3.86Å; M610-F660 HydrophobicContact SD-CB 3.68Å; I656-F660 HydrophobicContact CG2-CD2 3.79Å; I656-F660 HydrophobicContact CG2-CE2 3.24Å; I656-F660 HydrophobicContact CG2-CZ 3.81Å; I656-F660 WeakPolarHBondContact O-CD2 3.37Å; I656-F660 WeakPolarHBondContact O-CG 3.46Å; I656-F660 PolarHBondContact O-N 2.9Å; R657-F660 PolarHBondContact O-N 3.09Å; R657-F660 VanDerWaalsContact O-N 3.15Å; F660-S664 WeakPolarHBondContact O-CB 3.26Å; F660-S664 PolarHBondContact O-N 2.95Å; F660-L677 HydrophobicContact CD1-CD1 3.69Å; F660-L677 HydrophobicContact CE1-CD1 3.59Å; F660-L677 HydrophobicContact CE1-CD2 4.22Å |
| 661 | M | 95.4 | Very high | 93.9 | Very high | 14 Ų | 14 | 26.7 Ų | 26.7 | 7% | 0.069 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70 | -43.8 | -176.4 | -65.6 | 159.5 | 75.9 | 0 | 0 | 111.5 | L548 L551 E552 M610 R657 V658 F659 L665 | L548-M661 HydrophobicContact CD2-SD 4.4Å; L551-M661 HydrophobicContact CB-CE 3.98Å; L551-M661 HydrophobicContact CD2-CB 4.42Å; L551-M661 HydrophobicContact CD2-CE 3.95Å; L551-M661 HydrophobicContact CD2-SD 4.06Å; L551-M661 HydrophobicContact CG-CE 3.82Å; E552-M661 HydrophobicContact CB-CE 3.44Å; E552-M661 VanDerWaalsContact CB-CE 3.44Å; E552-M661 HydrophobicContact CG-CE 3.92Å; E552-M661 VanDerWaalsContact N-CE 3.29Å; M610-M661 HydrophobicContact SD-CG 3.88Å; R657-M661 HydrophobicContact CB-SD 4.1Å; R657-M661 WeakPolarHBondContact O-CB 3.49Å; R657-M661 WeakPolarHBondContact O-CG 3.36Å; R657-M661 PolarHBondContact O-N 3.09Å; R657-M661 VanDerWaalsContact O-SD 3.37Å; V658-M661 PolarHBondContact O-N 2.95Å; F659-M661 VanDerWaalsContact C-N 3.32Å; F659-M661 PolarHBondContact O-N 3.14Å; M661-L665 WeakPolarHBondContact O-CB 3.32Å; M661-L665 PolarHBondContact O-N 3.38Å; M661-L665 VanDerWaalsContact O-N 3.08Å |
| 662 | L | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -73.4 | -37 | 177.3 | -63.1 | -177.9 | 0 | 0 | 0 | 112.4 | M536 L551 L578 A581 R582 V658 L665 S666 | M536-L662 HydrophobicContact CB-CD2 3.79Å; M536-L662 HydrophobicContact CG-CD2 3.75Å; M536-L662 HydrophobicContact SD-CD2 4.01Å; L551-L662 HydrophobicContact CD1-CD2 4.28Å; L578-L662 HydrophobicContact CD1-CD2 4.41Å; A581-L662 HydrophobicContact CB-CD1 4.15Å; A581-L662 WeakPolarHBondContact O-CD1 3.5Å; R582-L662 HydrophobicContact CB-CB 4.32Å; R582-L662 HydrophobicContact CG-CB 4.48Å; V658-L662 HydrophobicContact CG1-CD1 3.94Å; V658-L662 HydrophobicContact CG1-CG 4.4Å; V658-L662 WeakPolarHBondContact O-CG 3.37Å; V658-L662 PolarHBondContact O-N 3.28Å; L662-L665 PolarHBondContact O-N 3.37Å; L662-S666 VanDerWaalsContact O-CB 3.29Å; L662-S666 WeakPolarHBondContact O-CB 3.27Å; L662-S666 PolarHBondContact O-N 3.07Å |
| 663 | R | 95 | Very high | 93.4 | Very high | 36 Ų | 36 | 32.7 Ų | 32.7 | 14% | 0.136 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.1 | -47.9 | 172.1 | 177.9 | 178.9 | 167.6 | 90.2 | 7.2 | 111.6 | F659 L665 S666 L667 E674 | F659-R663 WeakPolarHBondContact O-CB 3.46Å; F659-R663 PolarHBondContact O-N 2.95Å; R663-L665 VanDerWaalsContact C-N 3.31Å; R663-L665 PolarHBondContact O-N 3.36Å; R663-S666 PolarHBondContact O-N 3.33Å; R663-L667 HydrophobicContact CG-CD1 4.1Å; R663-L667 WeakPolarHBondContact O-CG 3.24Å; R663-L667 PolarHBondContact O-N 3.19Å; R663-E674 IonicContact CZ-OE1 3.02Å; R663-E674 IonicContact CZ-OE2 3.3Å; R663-E674 IonicContact NE-OE1 2.73Å; R663-E674 IonicContact NE-OE2 3.35Å; R663-E674 PolarHBondContact NE-OE2 2.72Å; R663-E674 IonicContact NH2-OE1 2.72Å; R663-E674 PolarHBondContact NH2-OE1 3.49Å; R663-E674 IonicContact NH2-OE2 3.82Å; R663-E674 PolarHBondContact NH2-OE2 2.85Å; R663-E674 VanDerWaalsContact NH2-OE2 3.14Å |
| 664 | S | 94.4 | Very high | 93.1 | Very high | 44 Ų | 44 | 32 Ų | 32 | 31% | 0.308 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.7 | -38.2 | 179.6 | -171.7 | 0 | 0 | 0 | 0 | 111.8 | F660 Q668 | F660-S664 WeakPolarHBondContact O-CB 3.26Å; F660-S664 PolarHBondContact O-N 2.95Å; S664-Q668 WeakPolarHBondContact O-CB 3.29Å; S664-Q668 WeakPolarHBondContact O-CG 3.3Å; S664-Q668 PolarHBondContact O-N 2.85Å; S664-Q668 VanDerWaalsContact O-N 3.11Å; S664-Q668 PolarHBondContact O-NE2 3.12Å; S664-Q668 PolarHBondContact OG-NE2 2.6Å |
| 665 | L | 94.5 | Very high | 92.8 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.3 | -48.8 | 173.9 | -175.5 | 58.9 | 0 | 0 | 0 | 112.2 | M536 C555 L558 K559 L578 M661 L662 R663 L667 Q668 L669 | M536-L665 HydrophobicContact CE-CD2 3.85Å; M536-L665 HydrophobicContact SD-CD2 4.09Å; C555-L665 HydrophobicContact CB-CD2 3.95Å; L558-L665 HydrophobicContact CB-CD2 4.48Å; L558-L665 HydrophobicContact CD2-CD2 4.04Å; L558-L665 HydrophobicContact CG-CD2 4.45Å; K559-L665 HydrophobicContact CB-CD1 3.83Å; K559-L665 HydrophobicContact CG-CD1 4.47Å; L578-L665 HydrophobicContact CD1-CD2 4.17Å; L578-L665 HydrophobicContact CD2-CD2 4.4Å; L578-L665 HydrophobicContact CD2-CG 4.31Å; M661-L665 WeakPolarHBondContact O-CB 3.32Å; M661-L665 PolarHBondContact O-N 3.38Å; M661-L665 VanDerWaalsContact O-N 3.08Å; L662-L665 PolarHBondContact O-N 3.37Å; R663-L665 VanDerWaalsContact C-N 3.31Å; R663-L665 PolarHBondContact O-N 3.36Å; L665-L667 PolarHBondContact O-N 3.05Å; L665-Q668 PolarHBondContact O-N 3.27Å; L665-L669 HydrophobicContact CD1-CD1 4.41Å; L665-L669 HydrophobicContact CD1-CD2 4.21Å; L665-L669 HydrophobicContact CD1-CG 4.07Å; L665-L669 HydrophobicContact CG-CD1 4.46Å; L665-L669 HydrophobicContact CG-CG 4.38Å; L665-L669 WeakPolarHBondContact O-CG 3.33Å; L665-L669 PolarHBondContact O-N 2.94Å |
| 666 | S | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -52.5 | -51.7 | 176.5 | 168.4 | 0 | 0 | 0 | 0 | 111.8 | E579 R582 L662 R663 Q668 L669 Q670 | E579-S666 WeakPolarHBondContact OE1-CB 3.45Å; E579-S666 PolarHBondContact OE1-OG 3.27Å; E579-S666 PolarHBondContact OE2-OG 2.98Å; R582-S666 PolarHBondContact NH1-OG 2.67Å; L662-S666 VanDerWaalsContact O-CB 3.29Å; L662-S666 WeakPolarHBondContact O-CB 3.27Å; L662-S666 PolarHBondContact O-N 3.07Å; R663-S666 PolarHBondContact O-N 3.33Å; S666-Q668 PolarHBondContact O-N 2.92Å; S666-L669 PolarHBondContact O-N 3.39Å; S666-Q670 VanDerWaalsContact O-CG 3.31Å; S666-Q670 WeakPolarHBondContact O-CG 3.44Å; S666-Q670 PolarHBondContact O-N 3.3Å; S666-Q670 VanDerWaalsContact O-N 3.08Å; S666-Q670 PolarHBondContact OG-NE2 2.88Å |
| 667 | L | 93.1 | Very high | 92.1 | Very high | 24 Ų | 24 | 39.5 Ų | 39.5 | 13% | 0.126 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.4 | -45.6 | 176.4 | -69.7 | 173.2 | 0 | 0 | 0 | 112.3 | R663 L665 L669 Q670 G671 E672 E674 | R663-L667 HydrophobicContact CG-CD1 4.1Å; R663-L667 WeakPolarHBondContact O-CG 3.24Å; R663-L667 PolarHBondContact O-N 3.19Å; L665-L667 PolarHBondContact O-N 3.05Å; L667-L669 VanDerWaalsContact C-N 3.33Å; L667-L669 PolarHBondContact O-N 3.07Å; L667-Q670 PolarHBondContact O-N 3.3Å; L667-G671 PolarHBondContact O-N 2.61Å; L667-E672 HydrophobicContact CD2-CB 3.87Å; L667-E672 PolarHBondContact O-N 2.72Å; L667-E674 HydrophobicContact CD1-CB 4.02Å; L667-E674 HydrophobicContact CD1-CG 4.46Å; L667-E674 WeakPolarHBondContact CD1-OE2 3Å |
| 668 | Q | 91.8 | Very high | 91.9 | Very high | 77 Ų | 77 | 41.4 Ų | 41.4 | 36% | 0.36 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.4 | -29.9 | 179.5 | -73.6 | 171.5 | 46.2 | 0 | 0 | 113.8 | K559 S664 L665 S666 | K559-Q668 VanDerWaalsContact CE-OE1 3.25Å; S664-Q668 WeakPolarHBondContact O-CB 3.29Å; S664-Q668 WeakPolarHBondContact O-CG 3.3Å; S664-Q668 PolarHBondContact O-N 2.85Å; S664-Q668 VanDerWaalsContact O-N 3.11Å; S664-Q668 PolarHBondContact O-NE2 3.12Å; S664-Q668 PolarHBondContact OG-NE2 2.6Å; L665-Q668 PolarHBondContact O-N 3.27Å; S666-Q668 PolarHBondContact O-N 2.92Å |
| 669 | L | 91.1 | Very high | 91.5 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -79.9 | -23.4 | 174.7 | -64.8 | -163.3 | 0 | 0 | 0 | 113 | V562 L563 C568 I570 L578 L665 S666 L667 | V562-L669 HydrophobicContact CG2-CD1 3.89Å; V562-L669 HydrophobicContact CG2-CD2 3.63Å; V562-L669 HydrophobicContact CG2-CG 4.42Å; L563-L669 HydrophobicContact CD1-CD2 4.3Å; L563-L669 HydrophobicContact CD2-CD2 3.71Å; L563-L669 HydrophobicContact CG-CD2 3.82Å; C568-L669 VanDerWaalsContact CB-O 3.23Å; C568-L669 WeakPolarHBondContact CB-O 3.43Å; C568-L669 PolarHBondContact SG-O 3.41Å; C568-L669 VanDerWaalsContact SG-O 3.35Å; I570-L669 HydrophobicContact CD1-CD1 3.93Å; L578-L669 HydrophobicContact CD2-CD1 3.63Å; L665-L669 HydrophobicContact CD1-CD1 4.41Å; L665-L669 HydrophobicContact CD1-CD2 4.21Å; L665-L669 HydrophobicContact CD1-CG 4.07Å; L665-L669 HydrophobicContact CG-CD1 4.46Å; L665-L669 HydrophobicContact CG-CG 4.38Å; L665-L669 WeakPolarHBondContact O-CG 3.33Å; L665-L669 PolarHBondContact O-N 2.94Å; S666-L669 PolarHBondContact O-N 3.39Å; L667-L669 VanDerWaalsContact C-N 3.33Å; L667-L669 PolarHBondContact O-N 3.07Å |
| 670 | Q | 89.6 | Confident | 91 | Very high | 94 Ų | 94 | 42.4 Ų | 42.4 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -86.7 | -16 | 174.6 | -66.8 | 174.5 | 19.6 | 0 | 0 | 112.8 | E579 S666 L667 E672 | E579-Q670 PolarHBondContact OE1-NE2 2.86Å; S666-Q670 VanDerWaalsContact O-CG 3.31Å; S666-Q670 WeakPolarHBondContact O-CG 3.44Å; S666-Q670 PolarHBondContact O-N 3.3Å; S666-Q670 VanDerWaalsContact O-N 3.08Å; S666-Q670 PolarHBondContact OG-NE2 2.88Å; L667-Q670 PolarHBondContact O-N 3.3Å; Q670-E672 VanDerWaalsContact C-N 3.33Å; Q670-E672 HydrophobicContact CB-CG 4.28Å |
| 671 | G | 87.2 | Confident | 90.4 | Very high | 67 Ų | 67 | 46 Ų | 46 | 69% | 0.691 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 7.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L667 | L667-G671 PolarHBondContact O-N 2.61Š|
| 672 | E | 89.2 | Confident | 89.6 | Confident | 119 Ų | 119 | 49.5 Ų | 49.5 | 56% | 0.556 | 28% | 0.277 | S | S | * | . | trans | -85.3 | 133.9 | -176.3 | -73.8 | -67.2 | 161.3 | 0 | 0 | 111.8 | L667 Q670 | L667-E672 HydrophobicContact CD2-CB 3.87Å; L667-E672 PolarHBondContact O-N 2.72Å; Q670-E672 VanDerWaalsContact C-N 3.33Å; Q670-E672 HydrophobicContact CB-CG 4.28Å | ||
| 673 | P | 86.7 | Confident | 88.8 | Confident | 87 Ų | 87 | 56.9 Ų | 56.9 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | trans | -74.2 | 140.4 | 175.7 | 30.1 | -33.4 | 0 | 0 | 0 | 111.6 | T675 | P673-T675 HydrophobicContact CG-CG2 4.29Å; P673-T675 PolarHBondContact O-N 3.19Å; P673-T675 VanDerWaalsContact O-N 3.17Å | ||
| 674 | E | 88.3 | Confident | 88.1 | Confident | 59 Ų | 59 | 57.4 Ų | 57.4 | 28% | 0.276 | 32% | 0.317 | S | S | . | . | trans | -69 | 114.5 | 169.2 | 177.8 | 59.2 | -85.9 | 0 | 0 | 109.9 | R663 L667 Q676 L677 | R663-E674 IonicContact CZ-OE1 3.02Å; R663-E674 IonicContact CZ-OE2 3.3Å; R663-E674 IonicContact NE-OE1 2.73Å; R663-E674 IonicContact NE-OE2 3.35Å; R663-E674 PolarHBondContact NE-OE2 2.72Å; R663-E674 IonicContact NH2-OE1 2.72Å; R663-E674 PolarHBondContact NH2-OE1 3.49Å; R663-E674 IonicContact NH2-OE2 3.82Å; R663-E674 PolarHBondContact NH2-OE2 2.85Å; R663-E674 VanDerWaalsContact NH2-OE2 3.14Å; L667-E674 HydrophobicContact CD1-CB 4.02Å; L667-E674 HydrophobicContact CD1-CG 4.46Å; L667-E674 WeakPolarHBondContact CD1-OE2 3Å; E674-Q676 WeakPolarHBondContact OE1-CB 3.46Å; E674-Q676 PolarHBondContact OE1-N 3.34Å; E674-L677 HydrophobicContact CG-CB 3.89Å; E674-L677 PolarHBondContact OE1-N 2.99Å | ||
| 675 | T | 87.4 | Confident | 87.6 | Confident | 76 Ų | 76 | 57.5 Ų | 57.5 | 47% | 0.466 | 31% | 0.314 | S | S | . | . | trans | -112 | -12.3 | -174.5 | 47 | 0 | 0 | 0 | 0 | 113.3 | P673 R681 | P673-T675 HydrophobicContact CG-CG2 4.29Å; P673-T675 PolarHBondContact O-N 3.19Å; P673-T675 VanDerWaalsContact O-N 3.17Å; T675-R681 PolarHBondContact O-NH1 3.33Å | ||
| 676 | Q | 86.9 | Confident | 87.2 | Confident | 87 Ų | 87 | 58.3 Ų | 58.3 | 41% | 0.407 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -106.7 | -18.1 | -171.4 | -55.3 | -177.8 | 37.5 | 0 | 0 | 113.1 | E674 L815 | E674-Q676 WeakPolarHBondContact OE1-CB 3.46Å; E674-Q676 PolarHBondContact OE1-N 3.34Å; Q676-L815 HydrophobicContact CB-CD2 3.92Å; Q676-L815 HydrophobicContact CB-CG 4.37Å; Q676-L815 VanDerWaalsContact OE1-CD2 3.24Å |
| 677 | L | 90 | Very high | 86.9 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | trans | -122 | 141.8 | 176.6 | -63.6 | 171.6 | 0 | 0 | 0 | 110.2 | F603 Y607 F660 E674 L679 L815 | F603-L677 HydrophobicContact CE1-CD2 3.83Å; F603-L677 HydrophobicContact CZ-CD2 4.22Å; Y607-L677 HydrophobicContact CD2-CB 4.41Å; Y607-L677 HydrophobicContact CD2-CD1 4.16Å; Y607-L677 HydrophobicContact CE1-CB 4.34Å; Y607-L677 HydrophobicContact CE2-CB 3.69Å; Y607-L677 HydrophobicContact CE2-CD1 3.82Å; Y607-L677 HydrophobicContact CE2-CG 4.29Å; F660-L677 HydrophobicContact CD1-CD1 3.69Å; F660-L677 HydrophobicContact CE1-CD1 3.59Å; F660-L677 HydrophobicContact CE1-CD2 4.22Å; E674-L677 HydrophobicContact CG-CB 3.89Å; E674-L677 PolarHBondContact OE1-N 2.99Å; L677-L679 HydrophobicContact CD2-CD2 3.99Å; L677-L679 HydrophobicContact CD2-CG 4.27Å; L677-L815 HydrophobicContact CD2-CD1 3.69Å; L677-L815 HydrophobicContact CG-CD1 4.21Å | ||
| 678 | P | 88.9 | Confident | 86.6 | Confident | 52 Ų | 52 | 67.1 Ų | 67.1 | 34% | 0.338 | 36% | 0.362 | S | S | . | . | S | Bend | cis | -67.3 | 154.6 | -3.3 | 29.3 | -36 | 0 | 0 | 0 | 113.3 | Y607 T680 | Y607-P678 HydrophobicContact CD1-CB 4.15Å; Y607-P678 HydrophobicContact CE1-CB 3.85Å; Y607-P678 HydrophobicContact CE1-CG 4.47Å; P678-T680 WeakPolarHBondContact CG-O 3.43Å; P678-T680 CarbonylContact O-C 3.55Å; P678-T680 PolarHBondContact O-N 3.11Å |
| 679 | L | 87.7 | Confident | 86.5 | Confident | 5 Ų | 5 | 67.8 Ų | 67.8 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -57.3 | -23.4 | -176.4 | -64.2 | 177.3 | 0 | 0 | 0 | 114.3 | L600 F603 E604 L677 K808 R811 I812 L815 | L600-L679 HydrophobicContact CD1-CD1 3.78Å; F603-L679 HydrophobicContact CD1-CD1 3.76Å; F603-L679 HydrophobicContact CD1-CG 4.37Å; F603-L679 HydrophobicContact CE1-CD1 3.88Å; F603-L679 HydrophobicContact CE1-CD2 4.12Å; F603-L679 HydrophobicContact CE1-CG 4.07Å; E604-L679 HydrophobicContact CG-CD1 4.22Å; L677-L679 HydrophobicContact CD2-CD2 3.99Å; L677-L679 HydrophobicContact CD2-CG 4.27Å; L679-K808 HydrophobicContact CB-CG 4.43Å; L679-K808 HydrophobicContact CD1-CB 4.4Å; L679-R811 HydrophobicContact CD2-CB 3.98Å; L679-R811 PolarHBondContact O-NH1 2.87Å; L679-I812 HydrophobicContact CD1-CD1 3.78Å; L679-I812 HydrophobicContact CD1-CG1 3.67Å; L679-I812 HydrophobicContact CD2-CG1 4.06Å; L679-L815 HydrophobicContact CD2-CD1 3.82Å |
| 680 | T | 86.4 | Confident | 86.3 | Confident | 19 Ų | 19 | 70.4 Ų | 70.4 | 12% | 0.117 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -120.6 | 113.1 | 163.3 | -65.2 | 0 | 0 | 0 | 0 | 107.9 | P678 L685 L743 K808 | P678-T680 WeakPolarHBondContact CG-O 3.43Å; P678-T680 CarbonylContact O-C 3.55Å; P678-T680 PolarHBondContact O-N 3.11Å; T680-L685 HydrophobicContact CG2-CD1 3.78Å; T680-L685 HydrophobicContact CG2-CD2 3.66Å; T680-L685 HydrophobicContact CG2-CG 3.77Å; T680-L743 HydrophobicContact CG2-CD2 4.42Å; T680-K808 WeakPolarHBondContact OG1-CE 3.49Å; T680-K808 PolarHBondContact OG1-NZ 3.28Å |
| 681 | R | 82.8 | Confident | 86.2 | Confident | 80 Ų | 80 | 69.2 Ų | 69.2 | 30% | 0.302 | 38% | 0.381 | S | S | . | . | trans | -83.9 | 142 | 178.1 | -56.9 | 179.1 | -62.1 | -176.4 | 19.3 | 109.8 | T675 E683 D684 | T675-R681 PolarHBondContact O-NH1 3.33Å; R681-E683 PolarHBondContact O-N 3Å; R681-D684 HydrophobicContact CB-CB 4.46Å; R681-D684 IonicContact CZ-OD1 2.79Å; R681-D684 IonicContact CZ-OD2 2.85Å; R681-D684 IonicContact NE-OD1 3.93Å; R681-D684 PolarHBondContact NE-OD1 3.47Å; R681-D684 VanDerWaalsContact NE-OD1 3.11Å; R681-D684 IonicContact NE-OD2 3.81Å; R681-D684 PolarHBondContact NE-OD2 2.89Å; R681-D684 IonicContact NH2-OD1 3.22Å; R681-D684 PolarHBondContact NH2-OD1 3.37Å; R681-D684 IonicContact NH2-OD2 2.77Å; R681-D684 WeakPolarHBondContact O-CB 3.28Å; R681-D684 PolarHBondContact O-N 3.33Å | ||
| 682 | P | 78.8 | Confident | 86.1 | Confident | 87 Ų | 87 | 66.9 Ų | 66.9 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -60.9 | -21.5 | 175.9 | -24.2 | 35.3 | 0 | 0 | 0 | 114.2 | ||
| 683 | E | 79.3 | Confident | 85.8 | Confident | 156 Ų | 156 | 64 Ų | 64 | 73% | 0.729 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -74.8 | -27.5 | 172.5 | -62.8 | 126.8 | -119.3 | 0 | 0 | 113.6 | R681 L685 | R681-E683 PolarHBondContact O-N 3Å; E683-L685 PolarHBondContact O-N 2.96Å |
| 684 | D | 80.6 | Confident | 85.6 | Confident | 47 Ų | 47 | 60.7 Ų | 60.7 | 25% | 0.251 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -78.3 | -4 | 177.9 | -63.7 | -14.1 | 0 | 0 | 0 | 111.9 | R681 R811 | R681-D684 HydrophobicContact CB-CB 4.46Å; R681-D684 IonicContact CZ-OD1 2.79Å; R681-D684 IonicContact CZ-OD2 2.85Å; R681-D684 IonicContact NE-OD1 3.93Å; R681-D684 PolarHBondContact NE-OD1 3.47Å; R681-D684 VanDerWaalsContact NE-OD1 3.11Å; R681-D684 IonicContact NE-OD2 3.81Å; R681-D684 PolarHBondContact NE-OD2 2.89Å; R681-D684 IonicContact NH2-OD1 3.22Å; R681-D684 PolarHBondContact NH2-OD1 3.37Å; R681-D684 IonicContact NH2-OD2 2.77Å; R681-D684 WeakPolarHBondContact O-CB 3.28Å; R681-D684 PolarHBondContact O-N 3.33Å; D684-R811 IonicContact OD2-CZ 3.11Å; D684-R811 IonicContact OD2-NH1 3.89Å; D684-R811 PolarHBondContact OD2-NH1 3.2Å; D684-R811 IonicContact OD2-NH2 2.77Å |
| 685 | L | 85.2 | Confident | 85.1 | Confident | 45 Ų | 45 | 62.8 Ų | 62.8 | 24% | 0.236 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -105.4 | 143.3 | -171.9 | -67.9 | 179.3 | 0 | 0 | 0 | 112.9 | T680 E683 L743 | T680-L685 HydrophobicContact CG2-CD1 3.78Å; T680-L685 HydrophobicContact CG2-CD2 3.66Å; T680-L685 HydrophobicContact CG2-CG 3.77Å; E683-L685 PolarHBondContact O-N 2.96Å; L685-L743 HydrophobicContact CD1-CD2 4.11Å; L685-L743 HydrophobicContact CD2-CD2 3.76Å |
| 686 | I | 85.9 | Confident | 84.3 | Confident | 24 Ų | 24 | 66.7 Ų | 66.7 | 12% | 0.123 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 129.2 | 175.3 | -65.3 | 166.3 | 0 | 0 | 0 | 108 | D690 L692 V738 A741 | I686-D690 HydrophobicContact CG2-CB 4.21Å; I686-L692 HydrophobicContact CD1-CD1 4.18Å; I686-L692 HydrophobicContact CD1-CD2 4Å; I686-L692 HydrophobicContact CG1-CD2 4.28Å; I686-L692 HydrophobicContact CG2-CD1 4.35Å; I686-L692 HydrophobicContact CG2-CD2 4.17Å; I686-V738 HydrophobicContact CG2-CB 4.41Å; I686-V738 HydrophobicContact CG2-CG1 4.29Å; I686-V738 HydrophobicContact CG2-CG2 3.68Å; I686-A741 VanDerWaalsContact O-CB 3.25Å; I686-A741 WeakPolarHBondContact O-CB 3.22Å |
| 687 | K | 87.3 | Confident | 83.8 | Confident | 126 Ų | 126 | 64 Ų | 64 | 55% | 0.548 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -94.5 | 164.5 | -176.5 | -61.8 | 168.2 | -173.2 | 169.2 | 0 | 110.8 | D690 V738 | K687-D690 WeakPolarHBondContact CB-OD2 3.43Å; K687-D690 PolarHBondContact N-OD2 3.2Å; K687-D690 WeakPolarHBondContact O-CB 3.42Å; K687-D690 PolarHBondContact O-N 3.22Å; K687-V738 WeakPolarHBondContact O-CG1 3.39Å |
| 688 | T | 87.1 | Confident | 83.2 | Confident | 83 Ų | 83 | 69.7 Ų | 69.7 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 140.4 | 169.4 | -48.6 | 0 | 0 | 0 | 0 | 109.5 | D690 | T688-D690 PolarHBondContact O-N 3.49Š|
| 689 | D | 89.6 | Confident | 83.2 | Confident | 91 Ų | 91 | 69.8 Ų | 69.8 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 8 | -174.7 | -66 | -64.8 | 0 | 0 | 0 | 116.9 | V737 V738 K739 | D689-V737 HydrophobicContact CB-CG1 4.28Å; D689-V737 WeakPolarHBondContact OD1-CG1 3.35Å; D689-V738 WeakPolarHBondContact CA-O 3.25Å; D689-V738 PolarHBondContact N-O 3.05Å; D689-K739 IonicContact OD1-NZ 3.26Å; D689-K739 PolarHBondContact OD1-NZ 2.88Å |
| 690 | D | 88.1 | Confident | 83.3 | Confident | 64 Ų | 64 | 70.1 Ų | 70.1 | 34% | 0.342 | 37% | 0.37 | S | S | . | . | trans | -61 | 147.3 | 163.3 | -77.9 | -13.1 | 0 | 0 | 0 | 111.2 | I686 K687 T688 V737 V738 | I686-D690 HydrophobicContact CG2-CB 4.21Å; K687-D690 WeakPolarHBondContact CB-OD2 3.43Å; K687-D690 PolarHBondContact N-OD2 3.2Å; K687-D690 WeakPolarHBondContact O-CB 3.42Å; K687-D690 PolarHBondContact O-N 3.22Å; T688-D690 PolarHBondContact O-N 3.49Å; D690-V737 WeakPolarHBondContact O-CA 3.15Å; D690-V738 WeakPolarHBondContact O-CG2 3.46Å; D690-V738 PolarHBondContact O-N 2.95Å | ||
| 691 | V | 86.6 | Confident | 83.5 | Confident | 69 Ų | 69 | 70.6 Ų | 70.6 | 42% | 0.418 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 118.7 | 178.6 | -156.4 | 0 | 0 | 0 | 0 | 110.3 | W735 G736 V737 | V691-W735 HydrophobicContact CG1-CB 4.38Å; V691-W735 HydrophobicContact CG1-CE3 3.96Å; V691-G736 WeakPolarHBondContact CA-O 3.34Å; V691-V737 HydrophobicContact CG1-CG2 4.34Å; V691-V737 HydrophobicContact CG2-CG2 4.4Å |
| 692 | L | 85.1 | Confident | 84 | Confident | 18 Ų | 18 | 67 Ų | 67 | 9% | 0.094 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 144.1 | -177.3 | -59 | 177.1 | 0 | 0 | 0 | 111.7 | I686 L694 V726 W735 G736 V738 F830 | I686-L692 HydrophobicContact CD1-CD1 4.18Å; I686-L692 HydrophobicContact CD1-CD2 4Å; I686-L692 HydrophobicContact CG1-CD2 4.28Å; I686-L692 HydrophobicContact CG2-CD1 4.35Å; I686-L692 HydrophobicContact CG2-CD2 4.17Å; L692-L694 HydrophobicContact CB-CD2 3.97Å; L692-V726 HydrophobicContact CD1-CG2 4.28Å; L692-W735 VanDerWaalsContact O-CA 3.29Å; L692-W735 WeakPolarHBondContact O-CA 3.23Å; L692-G736 PolarHBondContact N-O 3.43Å; L692-G736 PolarHBondContact O-N 2.93Å; L692-V738 HydrophobicContact CD1-CG2 3.57Å; L692-V738 HydrophobicContact CG-CG2 3.83Å; L692-F830 HydrophobicContact CB-CD1 4.48Å; L692-F830 HydrophobicContact CB-CE1 4.35Å; L692-F830 HydrophobicContact CD1-CE1 4.39Å; L692-F830 HydrophobicContact CD1-CZ 4.47Å |
| 693 | D | 84.2 | Confident | 84.6 | Confident | 58 Ų | 58 | 66.4 Ų | 66.4 | 31% | 0.31 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 119.7 | 162.2 | -176 | -14.9 | 0 | 0 | 0 | 108.9 | N695 W735 F830 | D693-N695 VanDerWaalsContact OD1-CB 3.32Å; D693-N695 WeakPolarHBondContact OD1-CB 3.44Å; D693-N695 PolarHBondContact OD1-N 3.37Å; D693-N695 PolarHBondContact OD1-ND2 2.97Å; D693-W735 HydrophobicContact CB-CD2 4.46Å; D693-W735 HydrophobicContact CB-CE3 4.44Å; D693-W735 HydrophobicContact CB-CH2 4.24Å; D693-W735 HydrophobicContact CB-CZ2 4.23Å; D693-W735 HydrophobicContact CB-CZ3 4.34Å; D693-F830 WeakPolarHBondContact O-CD1 3.46Å; D693-F830 VanDerWaalsContact O-CE1 3.25Å; D693-F830 WeakPolarHBondContact O-CE1 3.45Å |
| 694 | L | 80.9 | Confident | 85.2 | Confident | 19 Ų | 19 | 59.3 Ų | 59.3 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | trans | -102.9 | -1 | -174.1 | -54 | 177.4 | 0 | 0 | 0 | 113.2 | L692 N696 S697 L699 V726 G734 F830 | L692-L694 HydrophobicContact CB-CD2 3.97Å; L694-N696 PolarHBondContact O-N 2.98Å; L694-S697 WeakPolarHBondContact CA-OG 3.48Å; L694-S697 WeakPolarHBondContact O-CB 3.4Å; L694-S697 PolarHBondContact O-N 3.41Å; L694-S697 PolarHBondContact O-OG 3.12Å; L694-L699 HydrophobicContact CB-CD1 4.13Å; L694-L699 HydrophobicContact CD1-CD1 4Å; L694-L699 HydrophobicContact CD2-CD1 4.35Å; L694-L699 HydrophobicContact CD2-CD2 4.48Å; L694-L699 HydrophobicContact CG-CD1 4.39Å; L694-V726 HydrophobicContact CD1-CG1 4Å; L694-V726 HydrophobicContact CD2-CG1 4.23Å; L694-G734 WeakPolarHBondContact CA-O 3.45Å; L694-G734 WeakPolarHBondContact CB-O 3.44Å; L694-G734 PolarHBondContact N-O 3.33Å; L694-F830 HydrophobicContact CD2-CE1 4.33Å | ||
| 695 | N | 77.8 | Confident | 85.8 | Confident | 103 Ų | 103 | 58.3 Ų | 58.3 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -28 | -168.3 | -73 | -68.4 | 0 | 0 | 0 | 113.8 | D693 G734 | D693-N695 VanDerWaalsContact OD1-CB 3.32Å; D693-N695 WeakPolarHBondContact OD1-CB 3.44Å; D693-N695 PolarHBondContact OD1-N 3.37Å; D693-N695 PolarHBondContact OD1-ND2 2.97Å; N695-G734 WeakPolarHBondContact OD1-CA 3.22Å |
| 696 | N | 71.1 | Confident | 85.9 | Confident | 157 Ų | 157 | 57.9 Ų | 57.9 | 84% | 0.84 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 16 | 176.5 | -66.4 | -42.6 | 0 | 0 | 0 | 112.9 | L694 | L694-N696 PolarHBondContact O-N 2.98Š|
| 697 | S | 76.9 | Confident | 85.6 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 22% | 0.217 | 34% | 0.34 | C | S | . | . | trans | -99 | 120.2 | -173 | -53.2 | 0 | 0 | 0 | 0 | 112.7 | L694 L699 F830 | L694-S697 WeakPolarHBondContact CA-OG 3.48Å; L694-S697 WeakPolarHBondContact O-CB 3.4Å; L694-S697 PolarHBondContact O-N 3.41Å; L694-S697 PolarHBondContact O-OG 3.12Å; S697-L699 PolarHBondContact O-N 3.27Å; S697-F830 WeakPolarHBondContact OG-CE1 3.49Å; S697-F830 VanDerWaalsContact OG-CZ 3.32Å; S697-F830 WeakPolarHBondContact OG-CZ 3.46Å | ||
| 698 | D | 77.8 | Confident | 85.4 | Confident | 130 Ų | 130 | 64.3 Ų | 64.3 | 70% | 0.695 | 35% | 0.352 | S | S | * | . | trans | -62 | 106.7 | 160.1 | -77.7 | -31.3 | 0 | 0 | 0 | 108.6 | R796 | D698-R796 PolarHBondContact O-NH1 2.87Å; D698-R796 PolarHBondContact O-NH2 3.39Å | ||
| 699 | L | 87.7 | Confident | 85.1 | Confident | 53 Ų | 53 | 62.7 Ų | 62.7 | 28% | 0.277 | 35% | 0.351 | S | S | . | . | trans | -109.5 | 142.1 | 178.8 | -67.1 | 179.1 | 0 | 0 | 0 | 112 | L694 S697 F715 A717 | L694-L699 HydrophobicContact CB-CD1 4.13Å; L694-L699 HydrophobicContact CD1-CD1 4Å; L694-L699 HydrophobicContact CD2-CD1 4.35Å; L694-L699 HydrophobicContact CD2-CD2 4.48Å; L694-L699 HydrophobicContact CG-CD1 4.39Å; S697-L699 PolarHBondContact O-N 3.27Å; L699-F715 HydrophobicContact CB-CB 4.33Å; L699-F715 HydrophobicContact CB-CD1 4.04Å; L699-F715 HydrophobicContact CD1-CB 4.19Å; L699-F715 HydrophobicContact CD1-CD1 4.27Å; L699-F715 HydrophobicContact CD1-CG 4.34Å; L699-F715 HydrophobicContact CD2-CB 4.4Å; L699-A717 HydrophobicContact CD2-CB 3.8Å | ||
| 700 | I | 90.2 | Very high | 84.9 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.062 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 110 | 175.5 | -47.6 | 177.2 | 0 | 0 | 0 | 109.5 | C702 L716 F784 R789 I792 A793 | I700-C702 PolarHBondContact O-N 3.39Å; I700-L716 HydrophobicContact CB-CB 4.41Å; I700-L716 PolarHBondContact N-O 3.08Å; I700-L716 VanDerWaalsContact N-O 3.1Å; I700-L716 PolarHBondContact O-N 3Å; I700-F784 HydrophobicContact CG2-CD1 3.74Å; I700-F784 HydrophobicContact CG2-CE1 3.63Å; I700-R789 HydrophobicContact CG2-CB 4.4Å; I700-I792 HydrophobicContact CD1-CG2 3.99Å; I700-A793 HydrophobicContact CD1-CB 3.92Å; I700-A793 HydrophobicContact CG2-CB 4.47Å |
| 701 | A | 89.9 | Confident | 85 | Confident | 29 Ų | 29 | 64.6 Ų | 64.6 | 24% | 0.24 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 129.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F715 | A701-F715 HydrophobicContact CB-CD1 3.96Å; A701-F715 HydrophobicContact CB-CE1 3.77Å; A701-F715 HydrophobicContact CB-CZ 4.48Å |
| 702 | C | 92.9 | Very high | 85.2 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.034 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 151.2 | 178.7 | 56.7 | 0 | 0 | 0 | 0 | 111.8 | I700 R714 F782 I783 F784 | I700-C702 PolarHBondContact O-N 3.39Å; C702-R714 PolarHBondContact N-O 3.13Å; C702-R714 PolarHBondContact O-N 3.01Å; C702-F782 HydrophobicContact CB-CD2 4.48Å; C702-I783 WeakPolarHBondContact CA-O 3.35Å; C702-F784 HydrophobicContact CB-CD1 3.92Å; C702-F784 HydrophobicContact CB-CE1 3.63Å; C702-F784 HydrophobicContact CB-CZ 4.13Å |
| 703 | M | 92.4 | Very high | 85.5 | Confident | 74 Ų | 74 | 68.5 Ų | 68.5 | 37% | 0.365 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 119.7 | 163.5 | 177.5 | 178.4 | -76.4 | 0 | 0 | 108.1 | V705 I783 | M703-V705 HydrophobicContact CG-CG2 4.24Å; M703-I783 HydrophobicContact CB-CB 4.39Å; M703-I783 PolarHBondContact N-O 3.01Å; M703-I783 PolarHBondContact O-N 3.08Å |
| 704 | V | 92.5 | Very high | 85.9 | Confident | 8 Ų | 8 | 67.8 Ų | 67.8 | 5% | 0.048 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 124.4 | 178.1 | -175.9 | 0 | 0 | 0 | 0 | 108.1 | Q711 A712 R714 L725 A780 F782 | V704-Q711 WeakPolarHBondContact O-CA 3.39Å; V704-A712 PolarHBondContact N-O 3.37Å; V704-A712 PolarHBondContact O-N 3.1Å; V704-R714 HydrophobicContact CG2-CB 4.21Å; V704-R714 HydrophobicContact CG2-CG 4.32Å; V704-L725 HydrophobicContact CG1-CD1 4.28Å; V704-L725 HydrophobicContact CG2-CD1 3.93Å; V704-L725 HydrophobicContact CG2-CD2 3.82Å; V704-A780 HydrophobicContact CG1-CB 3.74Å; V704-F782 HydrophobicContact CG1-CD1 4.47Å; V704-F782 HydrophobicContact CG1-CE1 4.13Å; V704-F782 HydrophobicContact CG1-CZ 4.38Å; V704-F782 HydrophobicContact CG2-CD2 4.15Å; V704-F782 HydrophobicContact CG2-CE2 4.1Å; V704-F782 HydrophobicContact CG2-CG 4.46Å; V704-F782 HydrophobicContact CG2-CZ 4.3Å |
| 705 | V | 92.4 | Very high | 86.4 | Confident | 26 Ų | 26 | 69.8 Ų | 69.8 | 16% | 0.158 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 108.1 | 179.1 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | M703 Q711 A780 N781 I783 | M703-V705 HydrophobicContact CG-CG2 4.24Å; V705-Q711 HydrophobicContact CG1-CG 4.27Å; V705-Q711 HydrophobicContact CG2-CG 4.1Å; V705-A780 CarbonylContact O-C 3.18Å; V705-A780 WeakPolarHBondContact O-CA 3.45Å; V705-A780 WeakPolarHBondContact O-CB 3.32Å; V705-N781 HydrophobicContact CB-CB 4.44Å; V705-N781 PolarHBondContact N-O 3.49Å; V705-N781 PolarHBondContact O-N 3.37Å; V705-I783 HydrophobicContact CG2-CD1 3.86Å; V705-I783 HydrophobicContact CG2-CG1 4.43Å |
| 706 | S | 87.3 | Confident | 87 | Confident | 36 Ų | 36 | 64.9 Ų | 64.9 | 25% | 0.252 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 166.3 | 177.3 | -50.2 | 0 | 0 | 0 | 0 | 111.7 | D708 G709 S710 | S706-D708 PolarHBondContact O-N 3.05Å; S706-G709 PolarHBondContact O-N 3.39Å; S706-S710 VanDerWaalsContact CB-OG 3.23Å; S706-S710 WeakPolarHBondContact CB-OG 3.32Å; S706-S710 PolarHBondContact N-O 3.5Å; S706-S710 PolarHBondContact OG-OG 2.93Å |
| 707 | K | 80.6 | Confident | 87.9 | Confident | 139 Ų | 139 | 57.5 Ų | 57.5 | 60% | 0.604 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -37.8 | 170.9 | -77.9 | -176.1 | 176.6 | 169.1 | 0 | 113.1 | G709 | K707-G709 PolarHBondContact O-N 3.44Å; K707-G709 VanDerWaalsContact O-N 3.11Å |
| 708 | D | 81.8 | Confident | 88.5 | Confident | 146 Ų | 146 | 56.9 Ų | 56.9 | 78% | 0.781 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 12.3 | -173.2 | -35.2 | -73 | 0 | 0 | 0 | 112.4 | S706 S710 | S706-D708 PolarHBondContact O-N 3.05Å; D708-S710 PolarHBondContact O-N 3.03Å; D708-S710 VanDerWaalsContact O-N 3.17Å |
| 709 | G | 80.3 | Confident | 88.9 | Confident | 49 Ų | 49 | 52.1 Ų | 52.1 | 51% | 0.505 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 76.7 | -9.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S706 K707 Q711 | S706-G709 PolarHBondContact O-N 3.39Å; K707-G709 PolarHBondContact O-N 3.44Å; K707-G709 VanDerWaalsContact O-N 3.11Å; G709-Q711 WeakPolarHBondContact O-CG 3.27Å; G709-Q711 PolarHBondContact O-N 3.31Å |
| 710 | S | 86.8 | Confident | 88.7 | Confident | 64 Ų | 64 | 51.4 Ų | 51.4 | 45% | 0.448 | 28% | 0.284 | S | S | . | . | trans | -61.2 | 126 | 178.6 | 67.1 | 0 | 0 | 0 | 0 | 111.4 | S706 D708 | S706-S710 VanDerWaalsContact CB-OG 3.23Å; S706-S710 WeakPolarHBondContact CB-OG 3.32Å; S706-S710 PolarHBondContact N-O 3.5Å; S706-S710 PolarHBondContact OG-OG 2.93Å; D708-S710 PolarHBondContact O-N 3.03Å; D708-S710 VanDerWaalsContact O-N 3.17Å | ||
| 711 | Q | 90.4 | Very high | 88.6 | Confident | 130 Ų | 130 | 51.9 Ų | 51.9 | 61% | 0.607 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.4 | 178.8 | -54.9 | -169.4 | -11.3 | 0 | 0 | 110.4 | V704 V705 G709 | V704-Q711 WeakPolarHBondContact O-CA 3.39Å; V705-Q711 HydrophobicContact CG1-CG 4.27Å; V705-Q711 HydrophobicContact CG2-CG 4.1Å; G709-Q711 WeakPolarHBondContact O-CG 3.27Å; G709-Q711 PolarHBondContact O-N 3.31Å |
| 712 | A | 90.9 | Very high | 88.6 | Confident | 34 Ų | 34 | 50.7 Ų | 50.7 | 28% | 0.281 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 128.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | V704 R714 | V704-A712 PolarHBondContact N-O 3.37Å; V704-A712 PolarHBondContact O-N 3.1Å; A712-R714 HydrophobicContact CB-CG 4.23Å |
| 713 | Q | 90.4 | Very high | 88.5 | Confident | 136 Ų | 136 | 50.5 Ų | 50.5 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 123.3 | 170.5 | -175.1 | 172.4 | -11.7 | 0 | 0 | 109.4 | ||
| 714 | R | 92.9 | Very high | 88.5 | Confident | 43 Ų | 43 | 47 Ų | 47 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 163.1 | -174.4 | -62.3 | -67.6 | 173.7 | -117.2 | 24.6 | 110.7 | C702 V704 A712 L725 E727 | C702-R714 PolarHBondContact N-O 3.13Å; C702-R714 PolarHBondContact O-N 3.01Å; V704-R714 HydrophobicContact CG2-CB 4.21Å; V704-R714 HydrophobicContact CG2-CG 4.32Å; A712-R714 HydrophobicContact CB-CG 4.23Å; R714-L725 HydrophobicContact CB-CB 4.37Å; R714-L725 HydrophobicContact CB-CD2 3.92Å; R714-E727 IonicContact CZ-OE1 3.94Å; R714-E727 IonicContact CZ-OE2 2.75Å; R714-E727 IonicContact NH1-OE1 2.76Å; R714-E727 PolarHBondContact NH1-OE1 3Å; R714-E727 IonicContact NH1-OE2 2.77Å; R714-E727 IonicContact NH2-OE1 3.8Å; R714-E727 PolarHBondContact NH2-OE1 3.12Å; R714-E727 IonicContact NH2-OE2 3.12Å; R714-E727 PolarHBondContact NH2-OE2 2.84Å |
| 715 | F | 91.3 | Very high | 88.4 | Confident | 61 Ų | 61 | 47.1 Ų | 47.1 | 27% | 0.268 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 124 | 169.4 | -67.3 | -93.5 | 0 | 0 | 0 | 109.3 | L699 A701 A717 V726 P728 | L699-F715 HydrophobicContact CB-CB 4.33Å; L699-F715 HydrophobicContact CB-CD1 4.04Å; L699-F715 HydrophobicContact CD1-CB 4.19Å; L699-F715 HydrophobicContact CD1-CD1 4.27Å; L699-F715 HydrophobicContact CD1-CG 4.34Å; L699-F715 HydrophobicContact CD2-CB 4.4Å; A701-F715 HydrophobicContact CB-CD1 3.96Å; A701-F715 HydrophobicContact CB-CE1 3.77Å; A701-F715 HydrophobicContact CB-CZ 4.48Å; F715-A717 PolarHBondContact O-N 2.88Å; F715-V726 PolarHBondContact N-O 3.29Å; F715-V726 PolarHBondContact O-N 2.6Å; F715-P728 HydrophobicContact CE2-CG 4.04Å |
| 716 | L | 91.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 112.7 | 171.7 | 177.4 | 64.4 | 0 | 0 | 0 | 109.3 | I700 V718 M723 F782 A793 L797 | I700-L716 HydrophobicContact CB-CB 4.41Å; I700-L716 PolarHBondContact N-O 3.08Å; I700-L716 VanDerWaalsContact N-O 3.1Å; I700-L716 PolarHBondContact O-N 3Å; L716-V718 HydrophobicContact CD1-CG2 4.43Å; L716-V718 HydrophobicContact CG-CG2 4.22Å; L716-M723 HydrophobicContact CD1-CB 4.07Å; L716-M723 HydrophobicContact CD1-CE 4.04Å; L716-M723 HydrophobicContact CD1-SD 4.25Å; L716-F782 HydrophobicContact CD1-CE2 4.46Å; L716-A793 HydrophobicContact CD2-CB 4.31Å; L716-L797 HydrophobicContact CD1-CD2 4.44Å; L716-L797 HydrophobicContact CD2-CD1 4.09Å; L716-L797 HydrophobicContact CD2-CD2 4.25Å; L716-L797 HydrophobicContact CD2-CG 4.3Å |
| 717 | A | 90.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 146.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L699 F715 M723 S724 V726 F830 | L699-A717 HydrophobicContact CD2-CB 3.8Å; F715-A717 PolarHBondContact O-N 2.88Å; A717-M723 WeakPolarHBondContact O-CA 3.41Å; A717-S724 PolarHBondContact N-O 3.14Å; A717-S724 PolarHBondContact O-N 3.18Å; A717-V726 HydrophobicContact CB-CG2 4.29Å; A717-F830 HydrophobicContact CB-CZ 4.48Å |
| 718 | V | 88.7 | Confident | 88.8 | Confident | 17 Ų | 17 | 44.2 Ų | 44.2 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 120.6 | 173.8 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | L716 M723 L744 R796 L797 | L716-V718 HydrophobicContact CD1-CG2 4.43Å; L716-V718 HydrophobicContact CG-CG2 4.22Å; V718-M723 HydrophobicContact CG2-CB 4.48Å; V718-L744 HydrophobicContact CG1-CD1 4.02Å; V718-L744 HydrophobicContact CG1-CD2 4.14Å; V718-R796 HydrophobicContact CB-CG 4.19Å; V718-R796 HydrophobicContact CG1-CG 4.34Å; V718-R796 HydrophobicContact CG2-CG 4.23Å; V718-R796 PolarHBondContact O-NH2 3.22Å; V718-L797 HydrophobicContact CG2-CD2 3.66Å; V718-L797 HydrophobicContact CG2-CG 4.45Å |
| 719 | D | 86.4 | Confident | 88.8 | Confident | 31 Ų | 31 | 39.4 Ų | 39.4 | 17% | 0.166 | 22% | 0.218 | C | C | . | . | trans | -114.2 | -173.2 | -174.3 | 174.6 | 45.4 | 0 | 0 | 0 | 110 | Y721 Q722 L744 F830 | D719-Y721 PolarHBondContact O-N 3.13Å; D719-Q722 HydrophobicContact CB-CG 4.03Å; D719-Q722 PolarHBondContact N-O 2.84Å; D719-Q722 PolarHBondContact OD2-NE2 3.2Å; D719-L744 WeakPolarHBondContact O-CD1 3.5Å; D719-F830 HydrophobicContact CB-CE2 4.42Å | ||
| 720 | V | 83.9 | Confident | 88.8 | Confident | 37 Ų | 37 | 43.9 Ų | 43.9 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -63 | -40.9 | -171.7 | -175.8 | 0 | 0 | 0 | 0 | 113.5 | A804 M807 | V720-A804 WeakPolarHBondContact O-CB 3.43Å; V720-M807 HydrophobicContact CG1-CG 4.31Å |
| 721 | Y | 86.8 | Confident | 88.4 | Confident | 22 Ų | 22 | 49.2 Ų | 49.2 | 9% | 0.086 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -119.9 | -14.1 | -177.6 | -62.1 | -62.8 | 0 | 0 | 0 | 114.4 | D719 L744 A804 M807 K808 R811 | D719-Y721 PolarHBondContact O-N 3.13Å; Y721-L744 PolarHBondContact O-N 3.42Å; Y721-A804 HydrophobicContact CD1-CB 4.17Å; Y721-M807 HydrophobicContact CE1-CB 4.03Å; Y721-K808 HydrophobicContact CE1-CG 4.01Å; Y721-R811 PolarHBondContact OH-NE 2.88Å |
| 722 | Q | 90.8 | Very high | 87.8 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 2% | 0.023 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 156.3 | -167.2 | 64.6 | -151.9 | -34.8 | 0 | 0 | 112.4 | D719 G742 | D719-Q722 HydrophobicContact CB-CG 4.03Å; D719-Q722 PolarHBondContact N-O 2.84Å; D719-Q722 PolarHBondContact OD2-NE2 3.2Å; Q722-G742 CarbonylContact C-O 3.59Å; Q722-G742 VanDerWaalsContact CA-O 3.3Å; Q722-G742 WeakPolarHBondContact CA-O 3.35Å |
| 723 | M | 91.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 147 | 159.7 | 65.2 | 84.2 | 111.9 | 0 | 0 | 109.2 | L716 A717 V718 F740 A741 G742 L744 M747 I761 I763 L778 F782 L797 | L716-M723 HydrophobicContact CD1-CB 4.07Å; L716-M723 HydrophobicContact CD1-CE 4.04Å; L716-M723 HydrophobicContact CD1-SD 4.25Å; A717-M723 WeakPolarHBondContact O-CA 3.41Å; V718-M723 HydrophobicContact CG2-CB 4.48Å; M723-F740 HydrophobicContact SD-CD1 4.17Å; M723-F740 HydrophobicContact SD-CE1 4.1Å; M723-A741 WeakPolarHBondContact O-CA 3.49Å; M723-G742 PolarHBondContact N-O 2.88Å; M723-G742 PolarHBondContact O-N 3.43Å; M723-L744 HydrophobicContact CB-CD2 3.94Å; M723-L744 HydrophobicContact CG-CD2 4.36Å; M723-M747 HydrophobicContact CG-SD 4.29Å; M723-I761 HydrophobicContact CE-CG2 4.18Å; M723-I763 HydrophobicContact CE-CD1 3.79Å; M723-I763 HydrophobicContact CG-CD1 3.97Å; M723-I763 HydrophobicContact SD-CD1 3.79Å; M723-L778 HydrophobicContact CE-CD2 4.5Å; M723-F782 HydrophobicContact CE-CE2 3.99Å; M723-F782 HydrophobicContact CE-CZ 3.74Å; M723-L797 HydrophobicContact CB-CD2 4.1Å; M723-L797 HydrophobicContact CG-CD2 4.47Å |
| 724 | S | 91.4 | Very high | 86.5 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 133.8 | -178.4 | -54.2 | 0 | 0 | 0 | 0 | 110.1 | A717 F740 | A717-S724 PolarHBondContact N-O 3.14Å; A717-S724 PolarHBondContact O-N 3.18Å; S724-F740 CarbonylContact C-O 3.54Å; S724-F740 VanDerWaalsContact CA-O 3.3Å; S724-F740 WeakPolarHBondContact CA-O 3.37Å |
| 725 | L | 91.9 | Very high | 86.2 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 114.8 | 169.8 | -74.5 | 175.9 | 0 | 0 | 0 | 108.8 | V704 R714 K739 F740 F782 | V704-L725 HydrophobicContact CG1-CD1 4.28Å; V704-L725 HydrophobicContact CG2-CD1 3.93Å; V704-L725 HydrophobicContact CG2-CD2 3.82Å; R714-L725 HydrophobicContact CB-CB 4.37Å; R714-L725 HydrophobicContact CB-CD2 3.92Å; L725-K739 PolarHBondContact O-N 3Å; L725-F740 HydrophobicContact CB-CB 4.18Å; L725-F740 HydrophobicContact CD1-CB 4.18Å; L725-F740 PolarHBondContact N-O 3.2Å; L725-F740 PolarHBondContact O-N 3.21Å; L725-F782 HydrophobicContact CD1-CE2 4.34Å; L725-F782 HydrophobicContact CD1-CZ 4.03Å; L725-F782 HydrophobicContact CD2-CE2 3.67Å; L725-F782 HydrophobicContact CD2-CZ 4.21Å; L725-F782 HydrophobicContact CG-CE2 4.34Å; L725-F782 HydrophobicContact CG-CZ 4.44Å |
| 726 | V | 91.7 | Very high | 86 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 141.8 | -174 | -170 | 0 | 0 | 0 | 0 | 111 | L692 L694 F715 A717 V737 V738 | L692-V726 HydrophobicContact CD1-CG2 4.28Å; L694-V726 HydrophobicContact CD1-CG1 4Å; L694-V726 HydrophobicContact CD2-CG1 4.23Å; F715-V726 PolarHBondContact N-O 3.29Å; F715-V726 PolarHBondContact O-N 2.6Å; A717-V726 HydrophobicContact CB-CG2 4.29Å; V726-V737 WeakPolarHBondContact CA-O 3.34Å; V726-V738 HydrophobicContact CG2-CG2 4.38Å |
| 727 | E | 90.4 | Very high | 86 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 32% | 0.322 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.6 | 170.9 | -179.1 | 160.4 | -129.4 | 0 | 0 | 108.7 | R714 G736 V737 K739 | R714-E727 IonicContact CZ-OE1 3.94Å; R714-E727 IonicContact CZ-OE2 2.75Å; R714-E727 IonicContact NH1-OE1 2.76Å; R714-E727 PolarHBondContact NH1-OE1 3Å; R714-E727 IonicContact NH1-OE2 2.77Å; R714-E727 IonicContact NH2-OE1 3.8Å; R714-E727 PolarHBondContact NH2-OE1 3.12Å; R714-E727 IonicContact NH2-OE2 3.12Å; R714-E727 PolarHBondContact NH2-OE2 2.84Å; E727-G736 CarbonylContact O-C 3.59Å; E727-G736 WeakPolarHBondContact O-CA 3.49Å; E727-V737 PolarHBondContact N-O 3.06Å; E727-V737 PolarHBondContact O-N 3.43Å; E727-K739 HydrophobicContact CB-CG 3.97Å; E727-K739 WeakPolarHBondContact OE2-CE 3.48Å |
| 728 | P | 84.8 | Confident | 86 | Confident | 72 Ų | 72 | 51.5 Ų | 51.5 | 47% | 0.468 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 138.1 | -173.4 | 28.3 | -35.6 | 0 | 0 | 0 | 111.6 | F715 T730 | F715-P728 HydrophobicContact CE2-CG 4.04Å; P728-T730 PolarHBondContact O-N 3.21Å |
| 729 | E | 83.3 | Confident | 86.1 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 21% | 0.206 | 28% | 0.275 | C | S | . | . | trans | -77.6 | 122.2 | -177.7 | -163.1 | -168.5 | 168.5 | 0 | 0 | 111 | K731 R732 W735 | E729-K731 HydrophobicContact CG-CB 4.38Å; E729-K731 PolarHBondContact O-N 3.37Å; E729-K731 VanDerWaalsContact O-N 3.16Å; E729-R732 PolarHBondContact O-N 3.37Å; E729-R732 WeakPolarHBondContact OE2-CB 3.33Å; E729-R732 WeakPolarHBondContact OE2-CD 3.46Å; E729-R732 WeakPolarHBondContact OE2-CG 3.25Å; E729-W735 HydrophobicContact CB-CB 4.35Å; E729-W735 PolarHBondContact N-O 3.39Å | ||
| 730 | T | 79.1 | Confident | 86.3 | Confident | 143 Ų | 143 | 54.7 Ų | 54.7 | 88% | 0.877 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -17.1 | -179.9 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | P728 | P728-T730 PolarHBondContact O-N 3.21Š|
| 731 | K | 77.9 | Confident | 86.6 | Confident | 177 Ų | 177 | 54.1 Ų | 54.1 | 77% | 0.77 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -19.1 | -178.5 | -56.5 | 174.1 | -176 | 169.8 | 0 | 113.7 | E729 | E729-K731 HydrophobicContact CG-CB 4.38Å; E729-K731 PolarHBondContact O-N 3.37Å; E729-K731 VanDerWaalsContact O-N 3.16Å |
| 732 | R | 79.4 | Confident | 86.7 | Confident | 136 Ų | 136 | 53.6 Ų | 53.6 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -139.1 | 102.4 | -172.2 | -65.8 | -173.2 | 179.7 | -174.9 | 0.8 | 110.4 | E729 G734 W735 | E729-R732 PolarHBondContact O-N 3.37Å; E729-R732 WeakPolarHBondContact OE2-CB 3.33Å; E729-R732 WeakPolarHBondContact OE2-CD 3.46Å; E729-R732 WeakPolarHBondContact OE2-CG 3.25Å; R732-G734 PolarHBondContact O-N 3.05Å; R732-W735 HydrophobicContact CB-CB 3.84Å; R732-W735 HydrophobicContact CB-CG 3.9Å; R732-W735 PolarHBondContact O-N 3.16Å; R732-W735 VanDerWaalsContact O-N 3.1Å |
| 733 | L | 75.1 | Confident | 86.7 | Confident | 178 Ų | 178 | 55 Ų | 55 | 93% | 0.932 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 133.8 | 171.8 | -71.1 | 168.1 | 0 | 0 | 0 | 109.9 | W735 | L733-W735 VanDerWaalsContact C-N 3.34Š|
| 734 | G | 77.6 | Confident | 86.6 | Confident | 26 Ų | 26 | 55 Ų | 55 | 27% | 0.268 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 1.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L694 N695 R732 | L694-G734 WeakPolarHBondContact CA-O 3.45Å; L694-G734 WeakPolarHBondContact CB-O 3.44Å; L694-G734 PolarHBondContact N-O 3.33Å; N695-G734 WeakPolarHBondContact OD1-CA 3.22Å; R732-G734 PolarHBondContact O-N 3.05Å |
| 735 | W | 86.9 | Confident | 86.3 | Confident | 84 Ų | 84 | 55.3 Ų | 55.3 | 32% | 0.318 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 160.6 | 174.5 | -66.6 | 71 | 0 | 0 | 0 | 111.7 | V691 L692 D693 E729 R732 L733 | V691-W735 HydrophobicContact CG1-CB 4.38Å; V691-W735 HydrophobicContact CG1-CE3 3.96Å; L692-W735 VanDerWaalsContact O-CA 3.29Å; L692-W735 WeakPolarHBondContact O-CA 3.23Å; D693-W735 HydrophobicContact CB-CD2 4.46Å; D693-W735 HydrophobicContact CB-CE3 4.44Å; D693-W735 HydrophobicContact CB-CH2 4.24Å; D693-W735 HydrophobicContact CB-CZ2 4.23Å; D693-W735 HydrophobicContact CB-CZ3 4.34Å; E729-W735 HydrophobicContact CB-CB 4.35Å; E729-W735 PolarHBondContact N-O 3.39Å; R732-W735 HydrophobicContact CB-CB 3.84Å; R732-W735 HydrophobicContact CB-CG 3.9Å; R732-W735 PolarHBondContact O-N 3.16Å; R732-W735 VanDerWaalsContact O-N 3.1Å; L733-W735 VanDerWaalsContact C-N 3.34Å |
| 736 | G | 87.5 | Confident | 86 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 155.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V691 L692 E727 | V691-G736 WeakPolarHBondContact CA-O 3.34Å; L692-G736 PolarHBondContact N-O 3.43Å; L692-G736 PolarHBondContact O-N 2.93Å; E727-G736 CarbonylContact O-C 3.59Å; E727-G736 WeakPolarHBondContact O-CA 3.49Å |
| 737 | V | 90.2 | Very high | 85.8 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 18% | 0.176 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 131.2 | -175.9 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | D689 D690 V691 V726 E727 K739 | D689-V737 HydrophobicContact CB-CG1 4.28Å; D689-V737 WeakPolarHBondContact OD1-CG1 3.35Å; D690-V737 WeakPolarHBondContact O-CA 3.15Å; V691-V737 HydrophobicContact CG1-CG2 4.34Å; V691-V737 HydrophobicContact CG2-CG2 4.4Å; V726-V737 WeakPolarHBondContact CA-O 3.34Å; E727-V737 PolarHBondContact N-O 3.06Å; E727-V737 PolarHBondContact O-N 3.43Å; V737-K739 PolarHBondContact O-N 3.05Å |
| 738 | V | 91.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 120.6 | 179.1 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | I686 K687 D689 D690 L692 V726 F740 A741 | I686-V738 HydrophobicContact CG2-CB 4.41Å; I686-V738 HydrophobicContact CG2-CG1 4.29Å; I686-V738 HydrophobicContact CG2-CG2 3.68Å; K687-V738 WeakPolarHBondContact O-CG1 3.39Å; D689-V738 WeakPolarHBondContact CA-O 3.25Å; D689-V738 PolarHBondContact N-O 3.05Å; D690-V738 WeakPolarHBondContact O-CG2 3.46Å; D690-V738 PolarHBondContact O-N 2.95Å; L692-V738 HydrophobicContact CD1-CG2 3.57Å; L692-V738 HydrophobicContact CG-CG2 3.83Å; V726-V738 HydrophobicContact CG2-CG2 4.38Å; V738-F740 WeakPolarHBondContact CG1-O 3.28Å; V738-A741 HydrophobicContact CG1-CB 4.16Å |
| 739 | K | 90.9 | Very high | 86.1 | Confident | 83 Ų | 83 | 57.4 Ų | 57.4 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -9.7 | 176.9 | -63.5 | -56.4 | -176.8 | -173.9 | 0 | 114.1 | D689 L725 E727 V737 | D689-K739 IonicContact OD1-NZ 3.26Å; D689-K739 PolarHBondContact OD1-NZ 2.88Å; L725-K739 PolarHBondContact O-N 3Å; E727-K739 HydrophobicContact CB-CG 3.97Å; E727-K739 WeakPolarHBondContact OE2-CE 3.48Å; V737-K739 PolarHBondContact O-N 3.05Å |
| 740 | F | 90.4 | Very high | 86.5 | Confident | 32 Ų | 32 | 58 Ų | 58 | 14% | 0.14 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 141.9 | 166.7 | 175.7 | -89.1 | 0 | 0 | 0 | 108.9 | M723 S724 L725 V738 I763 I777 L778 | M723-F740 HydrophobicContact SD-CD1 4.17Å; M723-F740 HydrophobicContact SD-CE1 4.1Å; S724-F740 CarbonylContact C-O 3.54Å; S724-F740 VanDerWaalsContact CA-O 3.3Å; S724-F740 WeakPolarHBondContact CA-O 3.37Å; L725-F740 HydrophobicContact CB-CB 4.18Å; L725-F740 HydrophobicContact CD1-CB 4.18Å; L725-F740 PolarHBondContact N-O 3.2Å; L725-F740 PolarHBondContact O-N 3.21Å; V738-F740 WeakPolarHBondContact CG1-O 3.28Å; F740-I763 HydrophobicContact CE1-CD1 3.75Å; F740-I763 HydrophobicContact CZ-CD1 4.18Å; F740-I777 HydrophobicContact CE2-CG2 3.96Å; F740-L778 HydrophobicContact CD1-CD2 4.02Å; F740-L778 HydrophobicContact CE1-CB 4.29Å; F740-L778 HydrophobicContact CE1-CD2 3.79Å; F740-L778 HydrophobicContact CE2-CB 3.86Å; F740-L778 HydrophobicContact CE2-CD2 4.48Å; F740-L778 HydrophobicContact CG-CD2 4.49Å; F740-L778 HydrophobicContact CZ-CB 3.66Å; F740-L778 HydrophobicContact CZ-CD2 4.03Å; F740-L778 HydrophobicContact CZ-CG 4.41Å |
| 741 | A | 90.3 | Very high | 87 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 21% | 0.207 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 142.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | I686 M723 V738 | I686-A741 VanDerWaalsContact O-CB 3.25Å; I686-A741 WeakPolarHBondContact O-CB 3.22Å; M723-A741 WeakPolarHBondContact O-CA 3.49Å; V738-A741 HydrophobicContact CG1-CB 4.16Å |
| 742 | G | 88.9 | Confident | 87.5 | Confident | 11 Ų | 11 | 46.6 Ų | 46.6 | 11% | 0.113 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 145.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q722 M723 | Q722-G742 CarbonylContact C-O 3.59Å; Q722-G742 VanDerWaalsContact CA-O 3.3Å; Q722-G742 WeakPolarHBondContact CA-O 3.35Å; M723-G742 PolarHBondContact N-O 2.88Å; M723-G742 PolarHBondContact O-N 3.43Å |
| 743 | L | 89.6 | Confident | 87.6 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 136.3 | -174.2 | -63.1 | 178.8 | 0 | 0 | 0 | 112.2 | T680 L685 Q745 D746 P766 | T680-L743 HydrophobicContact CG2-CD2 4.42Å; L685-L743 HydrophobicContact CD1-CD2 4.11Å; L685-L743 HydrophobicContact CD2-CD2 3.76Å; L743-Q745 HydrophobicContact CB-CG 4.38Å; L743-Q745 PolarHBondContact O-N 2.97Å; L743-D746 WeakPolarHBondContact CB-OD2 3.27Å; L743-P766 HydrophobicContact CD1-CG 4.24Å |
| 744 | L | 89.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -68.3 | -20.5 | -179.3 | -70.2 | 167.6 | 0 | 0 | 0 | 113.3 | V718 D719 Y721 M723 M747 L797 R801 A804 | V718-L744 HydrophobicContact CG1-CD1 4.02Å; V718-L744 HydrophobicContact CG1-CD2 4.14Å; D719-L744 WeakPolarHBondContact O-CD1 3.5Å; Y721-L744 PolarHBondContact O-N 3.42Å; M723-L744 HydrophobicContact CB-CD2 3.94Å; M723-L744 HydrophobicContact CG-CD2 4.36Å; L744-M747 HydrophobicContact CD2-CE 3.55Å; L744-M747 HydrophobicContact CD2-SD 4.34Å; L744-L797 HydrophobicContact CD2-CD2 4.14Å; L744-R801 HydrophobicContact CB-CB 4.44Å; L744-R801 WeakPolarHBondContact O-CB 3.43Å; L744-R801 WeakPolarHBondContact O-CD 3.48Å; L744-R801 VanDerWaalsContact O-CG 3.27Å; L744-R801 WeakPolarHBondContact O-CG 3.32Å; L744-A804 HydrophobicContact CB-CB 4.38Å |
| 745 | Q | 85.6 | Confident | 88.6 | Confident | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -77 | -37.4 | -178.3 | 74.6 | -175.6 | 27.8 | 0 | 0 | 113.1 | E604 L743 M747 R801 | E604-Q745 PolarHBondContact OE2-NE2 2.95Å; L743-Q745 HydrophobicContact CB-CG 4.38Å; L743-Q745 PolarHBondContact O-N 2.97Å; Q745-M747 VanDerWaalsContact C-N 3.27Å; Q745-M747 PolarHBondContact O-N 3.42Å; Q745-R801 VanDerWaalsContact O-CZ 3.3Å; Q745-R801 PolarHBondContact O-NH1 3.39Å; Q745-R801 VanDerWaalsContact O-NH1 3.1Å |
| 746 | D | 85.5 | Confident | 88.7 | Confident | 34 Ų | 34 | 49.5 Ų | 49.5 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -87.4 | -0.8 | -176.3 | -50.9 | -69.6 | 0 | 0 | 0 | 112.7 | L743 H764 | L743-D746 WeakPolarHBondContact CB-OD2 3.27Å; D746-H764 WeakPolarHBondContact CB-O 3.44Å; D746-H764 PolarHBondContact O-N 3.25Å; D746-H764 PolarHBondContact O-ND1 3.35Å |
| 747 | M | 88.8 | Confident | 89 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 129.7 | -178.7 | -176.6 | -177.8 | 55.9 | 0 | 0 | 112.4 | M723 L744 Q745 V749 I761 V762 I763 L797 R801 | M723-M747 HydrophobicContact CG-SD 4.29Å; L744-M747 HydrophobicContact CD2-CE 3.55Å; L744-M747 HydrophobicContact CD2-SD 4.34Å; Q745-M747 VanDerWaalsContact C-N 3.27Å; Q745-M747 PolarHBondContact O-N 3.42Å; M747-V749 HydrophobicContact CE-CG2 4.1Å; M747-V749 HydrophobicContact CG-CG2 3.84Å; M747-V749 HydrophobicContact SD-CG2 3.84Å; M747-I761 HydrophobicContact CG-CG2 3.9Å; M747-I761 HydrophobicContact SD-CG2 4.12Å; M747-V762 CarbonylContact C-O 3.57Å; M747-V762 WeakPolarHBondContact CA-O 3.39Å; M747-I763 HydrophobicContact CB-CG1 3.86Å; M747-I763 HydrophobicContact CG-CD1 4.39Å; M747-I763 HydrophobicContact CG-CG1 3.86Å; M747-L797 HydrophobicContact CE-CB 3.74Å; M747-L797 HydrophobicContact CE-CD2 3.89Å; M747-L797 HydrophobicContact CE-CG 4.31Å; M747-L797 HydrophobicContact SD-CB 4.37Å; M747-L797 HydrophobicContact SD-CD1 4.31Å; M747-L797 HydrophobicContact SD-CD2 3.82Å; M747-L797 HydrophobicContact SD-CG 4.39Å; M747-R801 PolarHBondContact O-NH1 2.89Å |
| 748 | Q | 89.3 | Confident | 89.1 | Confident | 113 Ų | 113 | 53.4 Ų | 53.4 | 53% | 0.528 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 139.5 | 166.2 | -60.2 | -179.9 | 10.5 | 0 | 0 | 109.3 | I761 V762 H764 | Q748-I761 WeakPolarHBondContact O-CA 3.48Å; Q748-V762 PolarHBondContact N-O 2.98Å; Q748-V762 PolarHBondContact O-N 2.68Å; Q748-H764 PolarHBondContact NE2-CE1 3.03Å |
| 749 | V | 91.2 | Very high | 89.2 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 26% | 0.261 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 108.6 | -177.1 | -176.8 | 0 | 0 | 0 | 0 | 110 | M747 L759 I761 K794 L797 | M747-V749 HydrophobicContact CE-CG2 4.1Å; M747-V749 HydrophobicContact CG-CG2 3.84Å; M747-V749 HydrophobicContact SD-CG2 3.84Å; V749-L759 HydrophobicContact CG1-CB 4.4Å; V749-L759 HydrophobicContact CG1-CD1 4.13Å; V749-L759 HydrophobicContact CG1-CD2 4.47Å; V749-I761 HydrophobicContact CG1-CG1 4.33Å; V749-I761 HydrophobicContact CG2-CG1 4.36Å; V749-K794 HydrophobicContact CG1-CG 4.18Å; V749-L797 HydrophobicContact CG2-CB 4.37Å; V749-L797 HydrophobicContact CG2-CD1 4.22Å |
| 750 | S | 91.5 | Very high | 89.3 | Confident | 55 Ų | 55 | 51.5 Ų | 51.5 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 156.7 | 172.8 | 52 | 0 | 0 | 0 | 0 | 111.2 | L759 N760 | S750-L759 CarbonylContact O-C 3.55Å; S750-L759 WeakPolarHBondContact O-CA 3.48Å; S750-N760 PolarHBondContact N-O 2.96Å; S750-N760 PolarHBondContact O-N 3.23Å |
| 751 | G | 89.1 | Confident | 89.4 | Confident | 36 Ų | 36 | 50 Ų | 50 | 37% | 0.371 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 150.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 752 | V | 89.6 | Confident | 89.5 | Confident | 46 Ų | 46 | 49.5 Ų | 49.5 | 28% | 0.279 | 27% | 0.272 | S | S | . | . | trans | -82.1 | 129.2 | 169.4 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | D754 D755 A758 | V752-D754 PolarHBondContact O-N 3.06Å; V752-D755 CarbonylContact O-C 3.56Å; V752-D755 PolarHBondContact O-N 3.22Å; V752-A758 HydrophobicContact CB-CB 4.04Å; V752-A758 HydrophobicContact CG2-CB 3.69Å; V752-A758 PolarHBondContact N-O 3.08Å | ||
| 753 | E | 81 | Confident | 89.5 | Confident | 195 Ų | 195 | 49.1 Ų | 49.1 | 91% | 0.911 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -66.9 | -36.7 | -173.3 | -60.1 | -169.7 | 160 | 0 | 0 | 112.2 | ||
| 754 | D | 84.8 | Confident | 89.3 | Confident | 166 Ų | 166 | 48.7 Ų | 48.7 | 89% | 0.888 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -85.5 | -13 | 179.1 | -60.7 | -62.7 | 0 | 0 | 0 | 114.8 | V752 | V752-D754 PolarHBondContact O-N 3.06Š|
| 755 | D | 90.1 | Very high | 88.8 | Confident | 50 Ų | 50 | 54.8 Ų | 54.8 | 27% | 0.267 | 29% | 0.291 | S | S | . | . | trans | -134.8 | 102.3 | 177 | -175.2 | 16.2 | 0 | 0 | 0 | 113.4 | V752 R757 A758 | V752-D755 CarbonylContact O-C 3.56Å; V752-D755 PolarHBondContact O-N 3.22Å; D755-R757 PolarHBondContact O-N 3.11Å; D755-R757 VanDerWaalsContact OD1-CB 3.3Å; D755-R757 WeakPolarHBondContact OD1-CB 3.2Å; D755-R757 PolarHBondContact OD1-N 3.12Å; D755-A758 HydrophobicContact CB-CB 4.04Å; D755-A758 PolarHBondContact O-N 3.26Å; D755-A758 WeakPolarHBondContact OD2-CB 3.43Å | ||
| 756 | S | 88.9 | Confident | 87.9 | Confident | 74 Ų | 74 | 56.8 Ų | 56.8 | 52% | 0.517 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -18.3 | 170.6 | 66.8 | 0 | 0 | 0 | 0 | 115.2 | H787 C790 | S756-H787 PolarHBondContact O-CD2 2.93Å; S756-C790 PolarHBondContact O-SG 2.96Å |
| 757 | R | 93.1 | Very high | 86.7 | Confident | 104 Ų | 104 | 57 Ų | 57 | 39% | 0.392 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -1.8 | 178.9 | -60.2 | 169.3 | 54.3 | -160.4 | -10.2 | 113.5 | D755 F784 A785 | D755-R757 PolarHBondContact O-N 3.11Å; D755-R757 VanDerWaalsContact OD1-CB 3.3Å; D755-R757 WeakPolarHBondContact OD1-CB 3.2Å; D755-R757 PolarHBondContact OD1-N 3.12Å; R757-F784 PolarHBondContact NE-O 3.1Å; R757-F784 PolarHBondContact NH2-O 3.28Å; R757-F784 WeakPolarHBondContact O-CD2 3.44Å; R757-F784 PolarHBondContact O-N 3.41Å; R757-A785 PolarHBondContact NE-O 2.83Å; R757-A785 PolarHBondContact NH2-O 2.72Å |
| 758 | A | 92.7 | Very high | 85.1 | Confident | 6 Ų | 6 | 62.6 Ų | 62.6 | 5% | 0.05 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 137 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V752 D755 F782 I783 | V752-A758 HydrophobicContact CB-CB 4.04Å; V752-A758 HydrophobicContact CG2-CB 3.69Å; V752-A758 PolarHBondContact N-O 3.08Å; D755-A758 HydrophobicContact CB-CB 4.04Å; D755-A758 PolarHBondContact O-N 3.26Å; D755-A758 WeakPolarHBondContact OD2-CB 3.43Å; A758-F782 WeakPolarHBondContact CA-O 3.39Å; A758-I783 HydrophobicContact CB-CG1 4.31Å |
| 759 | L | 93.6 | Very high | 83.5 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 132 | 167.8 | -59.2 | 178 | 0 | 0 | 0 | 109.7 | V749 S750 I761 N781 F782 F784 A793 K794 | V749-L759 HydrophobicContact CG1-CB 4.4Å; V749-L759 HydrophobicContact CG1-CD1 4.13Å; V749-L759 HydrophobicContact CG1-CD2 4.47Å; S750-L759 CarbonylContact O-C 3.55Å; S750-L759 WeakPolarHBondContact O-CA 3.48Å; L759-I761 HydrophobicContact CB-CG1 4.22Å; L759-N781 CarbonylContact O-C 3.56Å; L759-N781 WeakPolarHBondContact O-CA 3.44Å; L759-F782 PolarHBondContact N-O 2.9Å; L759-F782 PolarHBondContact O-N 3.37Å; L759-F784 HydrophobicContact CB-CE2 4.31Å; L759-F784 HydrophobicContact CD1-CE2 3.76Å; L759-F784 HydrophobicContact CD1-CZ 4.27Å; L759-F784 HydrophobicContact CG-CE2 3.9Å; L759-A793 HydrophobicContact CD1-CB 4.15Å; L759-K794 HydrophobicContact CD1-CB 3.85Å; L759-K794 HydrophobicContact CD2-CB 4.12Å; L759-K794 HydrophobicContact CD2-CD 3.95Å; L759-K794 HydrophobicContact CD2-CG 4.3Å |
| 760 | N | 92.9 | Very high | 81.7 | Confident | 40 Ų | 40 | 63 Ų | 63 | 21% | 0.214 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 120.1 | 166.4 | 175 | 6 | 0 | 0 | 0 | 107.6 | S750 N781 | S750-N760 PolarHBondContact N-O 2.96Å; S750-N760 PolarHBondContact O-N 3.23Å; N760-N781 WeakPolarHBondContact CB-OD1 3.17Å |
| 761 | I | 92.9 | Very high | 79.9 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.4 | -178.5 | -57.3 | -175 | 0 | 0 | 0 | 108.8 | M723 M747 Q748 V749 L759 I763 Q779 A780 F782 L797 | M723-I761 HydrophobicContact CE-CG2 4.18Å; M747-I761 HydrophobicContact CG-CG2 3.9Å; M747-I761 HydrophobicContact SD-CG2 4.12Å; Q748-I761 WeakPolarHBondContact O-CA 3.48Å; V749-I761 HydrophobicContact CG1-CG1 4.33Å; V749-I761 HydrophobicContact CG2-CG1 4.36Å; L759-I761 HydrophobicContact CB-CG1 4.22Å; I761-I763 HydrophobicContact CG2-CG1 4.37Å; I761-Q779 WeakPolarHBondContact O-CA 3.11Å; I761-A780 PolarHBondContact N-O 3.01Å; I761-A780 PolarHBondContact O-N 3.3Å; I761-A780 VanDerWaalsContact O-N 3.14Å; I761-F782 HydrophobicContact CB-CD1 3.95Å; I761-F782 HydrophobicContact CB-CE1 3.76Å; I761-F782 HydrophobicContact CB-CZ 4.4Å; I761-F782 HydrophobicContact CD1-CB 4.34Å; I761-F782 HydrophobicContact CD1-CD1 3.76Å; I761-F782 HydrophobicContact CD1-CD2 3.82Å; I761-F782 HydrophobicContact CD1-CE1 3.94Å; I761-F782 HydrophobicContact CD1-CE2 3.95Å; I761-F782 HydrophobicContact CD1-CG 3.73Å; I761-F782 HydrophobicContact CD1-CZ 4.04Å; I761-F782 HydrophobicContact CG1-CD1 3.88Å; I761-F782 HydrophobicContact CG1-CE1 4.12Å; I761-F782 HydrophobicContact CG1-CG 4.26Å; I761-F782 HydrophobicContact CG2-CE1 4.43Å; I761-L797 HydrophobicContact CD1-CD1 3.59Å |
| 762 | V | 90.4 | Very high | 78.6 | Confident | 15 Ų | 15 | 69.3 Ų | 69.3 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 121.5 | 176.9 | -165.7 | 0 | 0 | 0 | 0 | 108.8 | M747 Q748 H764 P776 L778 Q779 | M747-V762 CarbonylContact C-O 3.57Å; M747-V762 WeakPolarHBondContact CA-O 3.39Å; Q748-V762 PolarHBondContact N-O 2.98Å; Q748-V762 PolarHBondContact O-N 2.68Å; V762-H764 WeakPolarHBondContact CG1-NE2 3.27Å; V762-P776 HydrophobicContact CG1-CB 3.84Å; V762-L778 CarbonylContact C-O 3.6Å; V762-L778 VanDerWaalsContact CA-O 3.31Å; V762-L778 WeakPolarHBondContact CA-O 3.41Å; V762-Q779 HydrophobicContact CG1-CB 4.29Å; V762-Q779 HydrophobicContact CG2-CB 4.5Å; V762-Q779 HydrophobicContact CG2-CG 4.01Å |
| 763 | I | 88.9 | Confident | 77.4 | Confident | 3 Ų | 3 | 76.6 Ų | 76.6 | 2% | 0.015 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 124 | 173.6 | -66.4 | 171.8 | 0 | 0 | 0 | 108 | M723 F740 M747 I761 P776 I777 L778 | M723-I763 HydrophobicContact CE-CD1 3.79Å; M723-I763 HydrophobicContact CG-CD1 3.97Å; M723-I763 HydrophobicContact SD-CD1 3.79Å; F740-I763 HydrophobicContact CE1-CD1 3.75Å; F740-I763 HydrophobicContact CZ-CD1 4.18Å; M747-I763 HydrophobicContact CB-CG1 3.86Å; M747-I763 HydrophobicContact CG-CD1 4.39Å; M747-I763 HydrophobicContact CG-CG1 3.86Å; I761-I763 HydrophobicContact CG2-CG1 4.37Å; I763-P776 CarbonylContact O-C 3.5Å; I763-P776 WeakPolarHBondContact O-CA 3.44Å; I763-I777 PolarHBondContact O-N 3.4Å; I763-L778 HydrophobicContact CB-CB 4.32Å; I763-L778 HydrophobicContact CD1-CD2 4.45Å; I763-L778 PolarHBondContact N-O 2.88Å; I763-L778 PolarHBondContact O-N 3.04Å |
| 764 | H | 86.3 | Confident | 76.8 | Confident | 26 Ų | 26 | 70.9 Ų | 70.9 | 12% | 0.12 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 153.5 | -179 | -55.3 | 86.2 | 0 | 0 | 0 | 111.2 | D746 Q748 V762 P774 L775 | D746-H764 WeakPolarHBondContact CB-O 3.44Å; D746-H764 PolarHBondContact O-N 3.25Å; D746-H764 PolarHBondContact O-ND1 3.35Å; Q748-H764 PolarHBondContact NE2-CE1 3.03Å; V762-H764 WeakPolarHBondContact CG1-NE2 3.27Å; H764-P774 HydrophobicContact CB-CB 3.85Å; H764-L775 CarbonylContact C-O 3.57Å; H764-L775 WeakPolarHBondContact CA-O 3.39Å |
| 765 | K | 79.5 | Confident | 76.4 | Confident | 127 Ų | 127 | 68.7 Ų | 68.7 | 55% | 0.552 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 131.1 | 166.4 | -170.7 | 169.7 | -178 | 175.6 | 0 | 108.1 | S767 L775 I777 | K765-S767 PolarHBondContact O-N 3.4Å; K765-S767 VanDerWaalsContact O-N 3.09Å; K765-L775 PolarHBondContact N-O 2.86Å; K765-I777 HydrophobicContact CB-CD1 3.8Å; K765-I777 HydrophobicContact CB-CG1 3.75Å; K765-I777 HydrophobicContact CG-CD1 4.15Å; K765-I777 HydrophobicContact CG-CG1 4.48Å |
| 766 | P | 66.4 | Low | 76.1 | Confident | 52 Ų | 52 | 68.8 Ų | 68.8 | 34% | 0.338 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 118.7 | 170.4 | -27.3 | 35.3 | 0 | 0 | 0 | 109.8 | L743 | L743-P766 HydrophobicContact CD1-CG 4.24Š|
| 767 | S | 59.7 | Low | 75.9 | Confident | 39 Ų | 39 | 70 Ų | 70 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 132.5 | -174.5 | 49.7 | 0 | 0 | 0 | 0 | 110.9 | K765 N769 | K765-S767 PolarHBondContact O-N 3.4Å; K765-S767 VanDerWaalsContact O-N 3.09Å; S767-N769 PolarHBondContact O-N 2.9Å |
| 768 | S | 54.7 | Low | 75.6 | Confident | 122 Ų | 122 | 66.2 Ų | 66.2 | 85% | 0.853 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -76.5 | -2.6 | 171 | 51.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 769 | N | 56.1 | Low | 75.5 | Confident | 77 Ų | 77 | 69.2 Ų | 69.2 | 41% | 0.412 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -141.4 | 118 | 178.9 | 177.2 | -13 | 0 | 0 | 0 | 109 | S767 H771 A772 | S767-N769 PolarHBondContact O-N 2.9Å; N769-H771 PolarHBondContact O-N 2.95Å; N769-H771 PolarHBondContact OD1-N 3.2Å; N769-A772 HydrophobicContact CB-CB 4.06Å; N769-A772 PolarHBondContact O-N 3.16Å |
| 770 | P | 52.9 | Low | 75.4 | Confident | 86 Ų | 86 | 69.3 Ų | 69.3 | 56% | 0.558 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -14.1 | 179.9 | -26.4 | 35.5 | 0 | 0 | 0 | 115.8 | ||
| 771 | H | 54.8 | Low | 75.4 | Confident | 177 Ų | 177 | 70.6 Ų | 70.6 | 82% | 0.819 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -2.4 | 179.6 | -56.2 | -40.9 | 0 | 0 | 0 | 113.7 | N769 | N769-H771 PolarHBondContact O-N 2.95Å; N769-H771 PolarHBondContact OD1-N 3.2Å |
| 772 | A | 61.1 | Low | 75.5 | Confident | 47 Ų | 47 | 70.6 Ų | 70.6 | 39% | 0.388 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -76.8 | 145.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | N769 P774 | N769-A772 HydrophobicContact CB-CB 4.06Å; N769-A772 PolarHBondContact O-N 3.16Å; A772-P774 WeakPolarHBondContact O-CD 3.19Å |
| 773 | K | 64.1 | Low | 75.6 | Confident | 200 Ų | 200 | 72.2 Ų | 72.2 | 87% | 0.87 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 124.7 | 172.4 | -73.2 | -177 | 178 | 177.2 | 0 | 109.4 | L775 | K773-L775 PolarHBondContact O-N 3.38Š|
| 774 | P | 69.2 | Low | 75.9 | Confident | 74 Ų | 74 | 72.2 Ų | 72.2 | 48% | 0.481 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 126.2 | 179.6 | -26.8 | 36.4 | 0 | 0 | 0 | 111.9 | H764 A772 | H764-P774 HydrophobicContact CB-CB 3.85Å; A772-P774 WeakPolarHBondContact O-CD 3.19Å |
| 775 | L | 76.4 | Confident | 76.1 | Confident | 121 Ų | 121 | 73.8 Ų | 73.8 | 63% | 0.634 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 120.8 | 179.2 | -169.6 | 75.8 | 0 | 0 | 0 | 109.5 | H764 K765 K773 I777 | H764-L775 CarbonylContact C-O 3.57Å; H764-L775 WeakPolarHBondContact CA-O 3.39Å; K765-L775 PolarHBondContact N-O 2.86Å; K773-L775 PolarHBondContact O-N 3.38Å; L775-I777 PolarHBondContact O-N 3.3Å |
| 776 | P | 83.1 | Confident | 76.7 | Confident | 51 Ų | 51 | 70 Ų | 70 | 33% | 0.331 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 124.4 | 177.2 | 28.7 | -33.4 | 0 | 0 | 0 | 110.9 | V762 I763 | V762-P776 HydrophobicContact CG1-CB 3.84Å; I763-P776 CarbonylContact O-C 3.5Å; I763-P776 WeakPolarHBondContact O-CA 3.44Å |
| 777 | I | 85.4 | Confident | 77.8 | Confident | 101 Ų | 101 | 72.1 Ų | 72.1 | 52% | 0.518 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -42.2 | 168.1 | -55.4 | 175.3 | 0 | 0 | 0 | 109.3 | F740 I763 K765 L775 | F740-I777 HydrophobicContact CE2-CG2 3.96Å; I763-I777 PolarHBondContact O-N 3.4Å; K765-I777 HydrophobicContact CB-CD1 3.8Å; K765-I777 HydrophobicContact CB-CG1 3.75Å; K765-I777 HydrophobicContact CG-CD1 4.15Å; K765-I777 HydrophobicContact CG-CG1 4.48Å; L775-I777 PolarHBondContact O-N 3.3Å |
| 778 | L | 86.3 | Confident | 79.4 | Confident | 24 Ų | 24 | 75.9 Ų | 75.9 | 13% | 0.126 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 135.1 | 174.3 | -177.3 | 67.9 | 0 | 0 | 0 | 109.2 | M723 F740 V762 I763 A780 F782 | M723-L778 HydrophobicContact CE-CD2 4.5Å; F740-L778 HydrophobicContact CD1-CD2 4.02Å; F740-L778 HydrophobicContact CE1-CB 4.29Å; F740-L778 HydrophobicContact CE1-CD2 3.79Å; F740-L778 HydrophobicContact CE2-CB 3.86Å; F740-L778 HydrophobicContact CE2-CD2 4.48Å; F740-L778 HydrophobicContact CG-CD2 4.49Å; F740-L778 HydrophobicContact CZ-CB 3.66Å; F740-L778 HydrophobicContact CZ-CD2 4.03Å; F740-L778 HydrophobicContact CZ-CG 4.41Å; V762-L778 CarbonylContact C-O 3.6Å; V762-L778 VanDerWaalsContact CA-O 3.31Å; V762-L778 WeakPolarHBondContact CA-O 3.41Å; I763-L778 HydrophobicContact CB-CB 4.32Å; I763-L778 HydrophobicContact CD1-CD2 4.45Å; I763-L778 PolarHBondContact N-O 2.88Å; I763-L778 PolarHBondContact O-N 3.04Å; L778-A780 HydrophobicContact CD1-CB 4.07Å; L778-A780 HydrophobicContact CG-CB 4.43Å; L778-F782 HydrophobicContact CD2-CE1 4.24Å; L778-F782 HydrophobicContact CD2-CZ 4.1Å |
| 779 | Q | 90.8 | Very high | 81.1 | Confident | 69 Ų | 69 | 75.4 Ų | 75.4 | 32% | 0.322 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 106.5 | 162.9 | 177.2 | 163.2 | 16.7 | 0 | 0 | 108.2 | I761 V762 | I761-Q779 WeakPolarHBondContact O-CA 3.11Å; V762-Q779 HydrophobicContact CG1-CB 4.29Å; V762-Q779 HydrophobicContact CG2-CB 4.5Å; V762-Q779 HydrophobicContact CG2-CG 4.01Å |
| 780 | A | 92.3 | Very high | 82.8 | Confident | 4 Ų | 4 | 72 Ų | 72 | 3% | 0.033 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 153.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V704 V705 I761 L778 F782 | V704-A780 HydrophobicContact CG1-CB 3.74Å; V705-A780 CarbonylContact O-C 3.18Å; V705-A780 WeakPolarHBondContact O-CA 3.45Å; V705-A780 WeakPolarHBondContact O-CB 3.32Å; I761-A780 PolarHBondContact N-O 3.01Å; I761-A780 PolarHBondContact O-N 3.3Å; I761-A780 VanDerWaalsContact O-N 3.14Å; L778-A780 HydrophobicContact CD1-CB 4.07Å; L778-A780 HydrophobicContact CG-CB 4.43Å; A780-F782 HydrophobicContact CB-CD1 4.44Å; A780-F782 HydrophobicContact CB-CE1 4.07Å |
| 781 | N | 93.1 | Very high | 84.6 | Confident | 67 Ų | 67 | 71.2 Ų | 71.2 | 36% | 0.358 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 124.7 | 172.9 | -70 | -30.5 | 0 | 0 | 0 | 109.9 | V705 L759 N760 | V705-N781 HydrophobicContact CB-CB 4.44Å; V705-N781 PolarHBondContact N-O 3.49Å; V705-N781 PolarHBondContact O-N 3.37Å; L759-N781 CarbonylContact O-C 3.56Å; L759-N781 WeakPolarHBondContact O-CA 3.44Å; N760-N781 WeakPolarHBondContact CB-OD1 3.17Å |
| 782 | F | 94.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 105.7 | -179.3 | -74.3 | 57.3 | 0 | 0 | 0 | 108.1 | C702 V704 L716 M723 L725 A758 L759 I761 L778 A780 F784 | C702-F782 HydrophobicContact CB-CD2 4.48Å; V704-F782 HydrophobicContact CG1-CD1 4.47Å; V704-F782 HydrophobicContact CG1-CE1 4.13Å; V704-F782 HydrophobicContact CG1-CZ 4.38Å; V704-F782 HydrophobicContact CG2-CD2 4.15Å; V704-F782 HydrophobicContact CG2-CE2 4.1Å; V704-F782 HydrophobicContact CG2-CG 4.46Å; V704-F782 HydrophobicContact CG2-CZ 4.3Å; L716-F782 HydrophobicContact CD1-CE2 4.46Å; M723-F782 HydrophobicContact CE-CE2 3.99Å; M723-F782 HydrophobicContact CE-CZ 3.74Å; L725-F782 HydrophobicContact CD1-CE2 4.34Å; L725-F782 HydrophobicContact CD1-CZ 4.03Å; L725-F782 HydrophobicContact CD2-CE2 3.67Å; L725-F782 HydrophobicContact CD2-CZ 4.21Å; L725-F782 HydrophobicContact CG-CE2 4.34Å; L725-F782 HydrophobicContact CG-CZ 4.44Å; A758-F782 WeakPolarHBondContact CA-O 3.39Å; L759-F782 PolarHBondContact N-O 2.9Å; L759-F782 PolarHBondContact O-N 3.37Å; I761-F782 HydrophobicContact CB-CD1 3.95Å; I761-F782 HydrophobicContact CB-CE1 3.76Å; I761-F782 HydrophobicContact CB-CZ 4.4Å; I761-F782 HydrophobicContact CD1-CB 4.34Å; I761-F782 HydrophobicContact CD1-CD1 3.76Å; I761-F782 HydrophobicContact CD1-CD2 3.82Å; I761-F782 HydrophobicContact CD1-CE1 3.94Å; I761-F782 HydrophobicContact CD1-CE2 3.95Å; I761-F782 HydrophobicContact CD1-CG 3.73Å; I761-F782 HydrophobicContact CD1-CZ 4.04Å; I761-F782 HydrophobicContact CG1-CD1 3.88Å; I761-F782 HydrophobicContact CG1-CE1 4.12Å; I761-F782 HydrophobicContact CG1-CG 4.26Å; I761-F782 HydrophobicContact CG2-CE1 4.43Å; L778-F782 HydrophobicContact CD2-CE1 4.24Å; L778-F782 HydrophobicContact CD2-CZ 4.1Å; A780-F782 HydrophobicContact CB-CD1 4.44Å; A780-F782 HydrophobicContact CB-CE1 4.07Å; F782-F784 HydrophobicContact CB-CE2 3.81Å; F782-F784 HydrophobicContact CB-CZ 3.97Å; F782-F784 WeakPolarHBondContact O-CD2 3.41Å; F782-F784 VanDerWaalsContact O-CE2 3.27Å; F782-F784 WeakPolarHBondContact O-CE2 3.15Å |
| 783 | I | 93.1 | Very high | 87.9 | Confident | 50 Ų | 50 | 64.4 Ų | 64.4 | 26% | 0.256 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 124.4 | -178.6 | -51.8 | 175.5 | 0 | 0 | 0 | 109 | C702 M703 V705 A758 | C702-I783 WeakPolarHBondContact CA-O 3.35Å; M703-I783 HydrophobicContact CB-CB 4.39Å; M703-I783 PolarHBondContact N-O 3.01Å; M703-I783 PolarHBondContact O-N 3.08Å; V705-I783 HydrophobicContact CG2-CD1 3.86Å; V705-I783 HydrophobicContact CG2-CG1 4.43Å; A758-I783 HydrophobicContact CB-CG1 4.31Å |
| 784 | F | 94.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.009 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 158.2 | -178.2 | -62.4 | -85.7 | 0 | 0 | 0 | 111.8 | I700 C702 R757 L759 F782 D786 R789 C790 A793 | I700-F784 HydrophobicContact CG2-CD1 3.74Å; I700-F784 HydrophobicContact CG2-CE1 3.63Å; C702-F784 HydrophobicContact CB-CD1 3.92Å; C702-F784 HydrophobicContact CB-CE1 3.63Å; C702-F784 HydrophobicContact CB-CZ 4.13Å; R757-F784 PolarHBondContact NE-O 3.1Å; R757-F784 PolarHBondContact NH2-O 3.28Å; R757-F784 WeakPolarHBondContact O-CD2 3.44Å; R757-F784 PolarHBondContact O-N 3.41Å; L759-F784 HydrophobicContact CB-CE2 4.31Å; L759-F784 HydrophobicContact CD1-CE2 3.76Å; L759-F784 HydrophobicContact CD1-CZ 4.27Å; L759-F784 HydrophobicContact CG-CE2 3.9Å; F782-F784 HydrophobicContact CB-CE2 3.81Å; F782-F784 HydrophobicContact CB-CZ 3.97Å; F782-F784 WeakPolarHBondContact O-CD2 3.41Å; F782-F784 VanDerWaalsContact O-CE2 3.27Å; F782-F784 WeakPolarHBondContact O-CE2 3.15Å; F784-D786 PolarHBondContact O-N 3.41Å; F784-R789 HydrophobicContact CB-CB 4.09Å; F784-R789 HydrophobicContact CD1-CB 4.33Å; F784-R789 HydrophobicContact CG-CB 4.5Å; F784-C790 HydrophobicContact CB-CB 4.21Å; F784-C790 HydrophobicContact CD2-CB 3.9Å; F784-C790 HydrophobicContact CG-CB 4.27Å; F784-A793 HydrophobicContact CD1-CB 4.39Å; F784-A793 HydrophobicContact CE1-CB 3.56Å; F784-A793 HydrophobicContact CE2-CB 4.06Å; F784-A793 HydrophobicContact CZ-CB 3.37Å |
| 785 | A | 90.6 | Very high | 90.2 | Very high | 59 Ų | 59 | 61.9 Ų | 61.9 | 49% | 0.488 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -61.4 | -32.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | R757 | R757-A785 PolarHBondContact NE-O 2.83Å; R757-A785 PolarHBondContact NH2-O 2.72Å |
| 786 | D | 92 | Very high | 90.9 | Very high | 49 Ų | 49 | 59.2 Ų | 59.2 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -150.9 | 163.8 | -179.9 | 57.2 | 67.1 | 0 | 0 | 0 | 111.2 | F784 I788 R789 C790 | F784-D786 PolarHBondContact O-N 3.41Å; D786-I788 PolarHBondContact O-N 3.21Å; D786-I788 WeakPolarHBondContact OD1-CA 3.24Å; D786-I788 WeakPolarHBondContact OD1-CB 3.37Å; D786-I788 PolarHBondContact OD1-N 3.17Å; D786-I788 VanDerWaalsContact OD1-N 3.11Å; D786-R789 PolarHBondContact O-N 2.62Å; D786-R789 PolarHBondContact OD1-N 3.11Å; D786-R789 IonicContact OD1-NE 2.76Å; D786-R789 IonicContact OD2-CZ 2.71Å; D786-R789 VanDerWaalsContact OD2-CZ 3.26Å; D786-R789 IonicContact OD2-NE 3.15Å; D786-R789 PolarHBondContact OD2-NE 3.26Å; D786-R789 IonicContact OD2-NH2 3.89Å; D786-R789 PolarHBondContact OD2-NH2 3.19Å; D786-C790 PolarHBondContact O-N 3.46Å |
| 787 | H | 89.9 | Confident | 91.4 | Very high | 95 Ų | 95 | 56.8 Ų | 56.8 | 44% | 0.44 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.4 | -27.2 | 179.3 | 170 | -119.8 | 0 | 0 | 0 | 113 | S756 C790 I791 | S756-H787 PolarHBondContact O-CD2 2.93Å; H787-C790 WeakPolarHBondContact O-CB 3.1Å; H787-C790 PolarHBondContact O-N 3.04Å; H787-I791 VanDerWaalsContact CE1-CD1 3.45Å; H787-I791 WeakPolarHBondContact CE1-CD1 3.5Å; H787-I791 WeakPolarHBondContact NE2-CD1 3.41Å; H787-I791 PolarHBondContact O-N 3.29Å |
| 788 | I | 91.8 | Very high | 91.7 | Very high | 118 Ų | 118 | 54.4 Ų | 54.4 | 61% | 0.605 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -71.1 | -45.7 | -179.5 | -55.4 | 177.5 | 0 | 0 | 0 | 109.4 | D786 C790 I791 I792 | D786-I788 PolarHBondContact O-N 3.21Å; D786-I788 WeakPolarHBondContact OD1-CA 3.24Å; D786-I788 WeakPolarHBondContact OD1-CB 3.37Å; D786-I788 PolarHBondContact OD1-N 3.17Å; D786-I788 VanDerWaalsContact OD1-N 3.11Å; I788-C790 VanDerWaalsContact C-N 3.33Å; I788-C790 PolarHBondContact O-N 3.19Å; I788-I791 PolarHBondContact O-N 3.5Å; I788-I792 HydrophobicContact CG2-CD1 3.88Å; I788-I792 VanDerWaalsContact O-CG1 3.28Å; I788-I792 WeakPolarHBondContact O-CG1 3.34Å; I788-I792 PolarHBondContact O-N 3.32Å |
| 789 | R | 91 | Very high | 91.9 | Very high | 112 Ų | 112 | 60 Ų | 60 | 42% | 0.423 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62 | -37.8 | 172.5 | -76.1 | -177.1 | -114.9 | -148.9 | -4.1 | 112.8 | I700 F784 D786 I792 A793 | I700-R789 HydrophobicContact CG2-CB 4.4Å; F784-R789 HydrophobicContact CB-CB 4.09Å; F784-R789 HydrophobicContact CD1-CB 4.33Å; F784-R789 HydrophobicContact CG-CB 4.5Å; D786-R789 PolarHBondContact O-N 2.62Å; D786-R789 PolarHBondContact OD1-N 3.11Å; D786-R789 IonicContact OD1-NE 2.76Å; D786-R789 IonicContact OD2-CZ 2.71Å; D786-R789 VanDerWaalsContact OD2-CZ 3.26Å; D786-R789 IonicContact OD2-NE 3.15Å; D786-R789 PolarHBondContact OD2-NE 3.26Å; D786-R789 IonicContact OD2-NH2 3.89Å; D786-R789 PolarHBondContact OD2-NH2 3.19Å; R789-I792 PolarHBondContact O-N 2.87Å; R789-A793 WeakPolarHBondContact O-CB 3.41Å; R789-A793 PolarHBondContact O-N 3.47Å |
| 790 | C | 92.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 57 Ų | 57 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.4 | -49 | 172.8 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | S756 F784 D786 H787 I788 A793 K794 | S756-C790 PolarHBondContact O-SG 2.96Å; F784-C790 HydrophobicContact CB-CB 4.21Å; F784-C790 HydrophobicContact CD2-CB 3.9Å; F784-C790 HydrophobicContact CG-CB 4.27Å; D786-C790 PolarHBondContact O-N 3.46Å; H787-C790 WeakPolarHBondContact O-CB 3.1Å; H787-C790 PolarHBondContact O-N 3.04Å; I788-C790 VanDerWaalsContact C-N 3.33Å; I788-C790 PolarHBondContact O-N 3.19Å; C790-A793 PolarHBondContact O-N 2.92Å; C790-K794 WeakPolarHBondContact O-CB 3.45Å; C790-K794 PolarHBondContact O-N 3.3Å |
| 791 | I | 90.3 | Very high | 91.8 | Very high | 68 Ų | 68 | 60.7 Ų | 60.7 | 35% | 0.349 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 175 | -73 | 177.8 | 0 | 0 | 0 | 111.7 | H787 I788 A793 K794 Q795 | H787-I791 VanDerWaalsContact CE1-CD1 3.45Å; H787-I791 WeakPolarHBondContact CE1-CD1 3.5Å; H787-I791 WeakPolarHBondContact NE2-CD1 3.41Å; H787-I791 PolarHBondContact O-N 3.29Å; I788-I791 PolarHBondContact O-N 3.5Å; I791-A793 VanDerWaalsContact C-N 3.34Å; I791-A793 PolarHBondContact O-N 2.72Å; I791-K794 PolarHBondContact O-N 3.43Å; I791-Q795 HydrophobicContact CG2-CG 4.15Å; I791-Q795 WeakPolarHBondContact O-CB 3.31Å; I791-Q795 WeakPolarHBondContact O-CG 3.36Å; I791-Q795 PolarHBondContact O-N 3.49Å |
| 792 | I | 91.9 | Very high | 91.6 | Very high | 81 Ų | 81 | 62.8 Ų | 62.8 | 42% | 0.415 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 179.9 | -69.7 | 166.7 | 0 | 0 | 0 | 110.8 | I700 I788 R789 Q795 R796 | I700-I792 HydrophobicContact CD1-CG2 3.99Å; I788-I792 HydrophobicContact CG2-CD1 3.88Å; I788-I792 VanDerWaalsContact O-CG1 3.28Å; I788-I792 WeakPolarHBondContact O-CG1 3.34Å; I788-I792 PolarHBondContact O-N 3.32Å; R789-I792 PolarHBondContact O-N 2.87Å; I792-Q795 PolarHBondContact O-N 3.48Å; I792-R796 VanDerWaalsContact O-CB 3.24Å; I792-R796 WeakPolarHBondContact O-CB 3.35Å; I792-R796 PolarHBondContact O-N 2.97Å |
| 793 | A | 92.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.1 | -50.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I700 L716 L759 F784 R789 C790 I791 Q795 R796 L797 | I700-A793 HydrophobicContact CD1-CB 3.92Å; I700-A793 HydrophobicContact CG2-CB 4.47Å; L716-A793 HydrophobicContact CD2-CB 4.31Å; L759-A793 HydrophobicContact CD1-CB 4.15Å; F784-A793 HydrophobicContact CD1-CB 4.39Å; F784-A793 HydrophobicContact CE1-CB 3.56Å; F784-A793 HydrophobicContact CE2-CB 4.06Å; F784-A793 HydrophobicContact CZ-CB 3.37Å; R789-A793 WeakPolarHBondContact O-CB 3.41Å; R789-A793 PolarHBondContact O-N 3.47Å; C790-A793 PolarHBondContact O-N 2.92Å; I791-A793 VanDerWaalsContact C-N 3.34Å; I791-A793 PolarHBondContact O-N 2.72Å; A793-Q795 PolarHBondContact O-N 3.33Å; A793-R796 PolarHBondContact O-N 2.89Å; A793-L797 WeakPolarHBondContact O-CB 3.4Å; A793-L797 VanDerWaalsContact O-CG 3.25Å; A793-L797 WeakPolarHBondContact O-CG 3.24Å; A793-L797 PolarHBondContact O-N 3.17Å |
| 794 | K | 92.1 | Very high | 91.2 | Very high | 92 Ų | 92 | 62.8 Ų | 62.8 | 40% | 0.4 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 178.2 | -169.6 | 173.2 | -175.1 | 172.1 | 0 | 112.2 | V749 L759 C790 I791 A798 | V749-K794 HydrophobicContact CG1-CG 4.18Å; L759-K794 HydrophobicContact CD1-CB 3.85Å; L759-K794 HydrophobicContact CD2-CB 4.12Å; L759-K794 HydrophobicContact CD2-CD 3.95Å; L759-K794 HydrophobicContact CD2-CG 4.3Å; C790-K794 WeakPolarHBondContact O-CB 3.45Å; C790-K794 PolarHBondContact O-N 3.3Å; I791-K794 PolarHBondContact O-N 3.43Å; K794-A798 WeakPolarHBondContact O-CB 3.34Å; K794-A798 PolarHBondContact O-N 2.97Å |
| 795 | Q | 91.4 | Very high | 91 | Very high | 129 Ų | 129 | 64 Ų | 64 | 60% | 0.603 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66.3 | -42 | 177.9 | -73.8 | -178.6 | -2.5 | 0 | 0 | 112.3 | I791 I792 A793 A798 K799 | I791-Q795 HydrophobicContact CG2-CG 4.15Å; I791-Q795 WeakPolarHBondContact O-CB 3.31Å; I791-Q795 WeakPolarHBondContact O-CG 3.36Å; I791-Q795 PolarHBondContact O-N 3.49Å; I792-Q795 PolarHBondContact O-N 3.48Å; A793-Q795 PolarHBondContact O-N 3.33Å; Q795-A798 PolarHBondContact O-N 2.85Å; Q795-K799 VanDerWaalsContact O-CB 3.27Å; Q795-K799 WeakPolarHBondContact O-CB 3.19Å; Q795-K799 PolarHBondContact O-N 3.28Å |
| 796 | R | 91 | Very high | 90.9 | Very high | 65 Ų | 65 | 68 Ų | 68 | 25% | 0.245 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.3 | -38.8 | 179.7 | -174.7 | 170.6 | 173.9 | -166.7 | -8.5 | 112.4 | D698 V718 I792 A793 G800 | D698-R796 PolarHBondContact O-NH1 2.87Å; D698-R796 PolarHBondContact O-NH2 3.39Å; V718-R796 HydrophobicContact CB-CG 4.19Å; V718-R796 HydrophobicContact CG1-CG 4.34Å; V718-R796 HydrophobicContact CG2-CG 4.23Å; V718-R796 PolarHBondContact O-NH2 3.22Å; I792-R796 VanDerWaalsContact O-CB 3.24Å; I792-R796 WeakPolarHBondContact O-CB 3.35Å; I792-R796 PolarHBondContact O-N 2.97Å; A793-R796 PolarHBondContact O-N 2.89Å; R796-G800 PolarHBondContact O-N 2.75Å |
| 797 | L | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 173.7 | -71.3 | 173.2 | 0 | 0 | 0 | 111.5 | L716 V718 M723 L744 M747 V749 I761 A793 G800 R801 | L716-L797 HydrophobicContact CD1-CD2 4.44Å; L716-L797 HydrophobicContact CD2-CD1 4.09Å; L716-L797 HydrophobicContact CD2-CD2 4.25Å; L716-L797 HydrophobicContact CD2-CG 4.3Å; V718-L797 HydrophobicContact CG2-CD2 3.66Å; V718-L797 HydrophobicContact CG2-CG 4.45Å; M723-L797 HydrophobicContact CB-CD2 4.1Å; M723-L797 HydrophobicContact CG-CD2 4.47Å; L744-L797 HydrophobicContact CD2-CD2 4.14Å; M747-L797 HydrophobicContact CE-CB 3.74Å; M747-L797 HydrophobicContact CE-CD2 3.89Å; M747-L797 HydrophobicContact CE-CG 4.31Å; M747-L797 HydrophobicContact SD-CB 4.37Å; M747-L797 HydrophobicContact SD-CD1 4.31Å; M747-L797 HydrophobicContact SD-CD2 3.82Å; M747-L797 HydrophobicContact SD-CG 4.39Å; V749-L797 HydrophobicContact CG2-CB 4.37Å; V749-L797 HydrophobicContact CG2-CD1 4.22Å; I761-L797 HydrophobicContact CD1-CD1 3.59Å; A793-L797 WeakPolarHBondContact O-CB 3.4Å; A793-L797 VanDerWaalsContact O-CG 3.25Å; A793-L797 WeakPolarHBondContact O-CG 3.24Å; A793-L797 PolarHBondContact O-N 3.17Å; L797-G800 PolarHBondContact O-N 3.03Å; L797-R801 PolarHBondContact O-N 3.17Å |
| 798 | A | 91.1 | Very high | 90.8 | Very high | 52 Ų | 52 | 64.1 Ų | 64.1 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K794 Q795 G800 R801 I802 | K794-A798 WeakPolarHBondContact O-CB 3.34Å; K794-A798 PolarHBondContact O-N 2.97Å; Q795-A798 PolarHBondContact O-N 2.85Å; A798-G800 VanDerWaalsContact C-N 3.34Å; A798-G800 PolarHBondContact O-N 2.9Å; A798-R801 PolarHBondContact O-N 2.88Å; A798-I802 WeakPolarHBondContact O-CG1 3.39Å; A798-I802 PolarHBondContact O-N 3.49Å; A798-I802 VanDerWaalsContact O-N 3.1Å |
| 799 | K | 91.2 | Very high | 90.8 | Very high | 140 Ų | 140 | 59.4 Ų | 59.4 | 61% | 0.609 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.3 | -42.7 | 175.3 | -175.2 | -174.5 | 174 | -169.6 | 0 | 111.2 | Q795 I802 Q803 | Q795-K799 VanDerWaalsContact O-CB 3.27Å; Q795-K799 WeakPolarHBondContact O-CB 3.19Å; Q795-K799 PolarHBondContact O-N 3.28Å; K799-I802 PolarHBondContact O-N 2.71Å; K799-Q803 VanDerWaalsContact O-CB 3.28Å; K799-Q803 WeakPolarHBondContact O-CB 3.22Å; K799-Q803 PolarHBondContact O-N 3.32Å |
| 800 | G | 90.7 | Very high | 90.7 | Very high | 7 Ų | 7 | 56 Ų | 56 | 7% | 0.072 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R796 L797 A798 I802 Q803 A804 | R796-G800 PolarHBondContact O-N 2.75Å; L797-G800 PolarHBondContact O-N 3.03Å; A798-G800 VanDerWaalsContact C-N 3.34Å; A798-G800 PolarHBondContact O-N 2.9Å; G800-I802 PolarHBondContact O-N 3.22Å; G800-Q803 PolarHBondContact O-N 2.96Å; G800-A804 WeakPolarHBondContact O-CB 3.48Å; G800-A804 PolarHBondContact O-N 2.72Å |
| 801 | R | 90.3 | Very high | 90.6 | Very high | 81 Ų | 81 | 59.8 Ų | 59.8 | 31% | 0.306 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 174.3 | 175.8 | 171.4 | 165.3 | 147.4 | 4.7 | 112.6 | L744 Q745 M747 L797 A798 R805 | L744-R801 HydrophobicContact CB-CB 4.44Å; L744-R801 WeakPolarHBondContact O-CB 3.43Å; L744-R801 WeakPolarHBondContact O-CD 3.48Å; L744-R801 VanDerWaalsContact O-CG 3.27Å; L744-R801 WeakPolarHBondContact O-CG 3.32Å; Q745-R801 VanDerWaalsContact O-CZ 3.3Å; Q745-R801 PolarHBondContact O-NH1 3.39Å; Q745-R801 VanDerWaalsContact O-NH1 3.1Å; M747-R801 PolarHBondContact O-NH1 2.89Å; L797-R801 PolarHBondContact O-N 3.17Å; A798-R801 PolarHBondContact O-N 2.88Å; R801-R805 PolarHBondContact O-N 2.94Å; R801-R805 VanDerWaalsContact O-N 3.07Å |
| 802 | I | 89.3 | Confident | 90.7 | Very high | 112 Ų | 112 | 56.5 Ų | 56.5 | 57% | 0.574 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -66.2 | -41 | 177 | -65.3 | 166.2 | 0 | 0 | 0 | 110.8 | A798 K799 G800 R806 | A798-I802 WeakPolarHBondContact O-CG1 3.39Å; A798-I802 PolarHBondContact O-N 3.49Å; A798-I802 VanDerWaalsContact O-N 3.1Å; K799-I802 PolarHBondContact O-N 2.71Å; G800-I802 PolarHBondContact O-N 3.22Å; I802-R806 VanDerWaalsContact O-CB 3.26Å; I802-R806 WeakPolarHBondContact O-CB 3.43Å; I802-R806 PolarHBondContact O-N 2.68Å |
| 803 | Q | 90.6 | Very high | 90.7 | Very high | 48 Ų | 48 | 53.1 Ų | 53.1 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.7 | -43 | 177.5 | -176.9 | 168.7 | -22.7 | 0 | 0 | 111.7 | K799 G800 R806 M807 | K799-Q803 VanDerWaalsContact O-CB 3.28Å; K799-Q803 WeakPolarHBondContact O-CB 3.22Å; K799-Q803 PolarHBondContact O-N 3.32Å; G800-Q803 PolarHBondContact O-N 2.96Å; Q803-R806 PolarHBondContact O-N 2.99Å; Q803-M807 HydrophobicContact CG-CG 4.43Å; Q803-M807 WeakPolarHBondContact O-CB 3.32Å; Q803-M807 VanDerWaalsContact O-CG 3.26Å; Q803-M807 WeakPolarHBondContact O-CG 3.44Å; Q803-M807 PolarHBondContact O-N 3.34Å |
| 804 | A | 89.3 | Confident | 90.6 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.3 | -50.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V720 Y721 L744 G800 R806 M807 K808 | V720-A804 WeakPolarHBondContact O-CB 3.43Å; Y721-A804 HydrophobicContact CD1-CB 4.17Å; L744-A804 HydrophobicContact CB-CB 4.38Å; G800-A804 WeakPolarHBondContact O-CB 3.48Å; G800-A804 PolarHBondContact O-N 2.72Å; A804-R806 PolarHBondContact O-N 3.47Å; A804-M807 PolarHBondContact O-N 3.08Å; A804-K808 WeakPolarHBondContact O-CG 3.36Å; A804-K808 PolarHBondContact O-N 3.4Å |
| 805 | R | 89.1 | Confident | 90.6 | Very high | 28 Ų | 28 | 51.3 Ų | 51.3 | 11% | 0.106 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 175.9 | -74.8 | -170.3 | 166.5 | -124.8 | -23.3 | 112 | E597 L600 D601 R801 K808 M809 | E597-R805 WeakPolarHBondContact OE2-CD 3.2Å; E597-R805 IonicContact OE2-CZ 3.69Å; E597-R805 IonicContact OE2-NE 3.26Å; E597-R805 IonicContact OE2-NH1 2.67Å; E597-R805 PolarHBondContact OE2-NH1 2.75Å; L600-R805 HydrophobicContact CD2-CB 4Å; L600-R805 HydrophobicContact CD2-CG 4.01Å; D601-R805 VanDerWaalsContact CG-NH2 3.3Å; D601-R805 IonicContact OD1-CZ 2.89Å; D601-R805 IonicContact OD1-NH1 3.22Å; D601-R805 IonicContact OD1-NH2 2.84Å; D601-R805 PolarHBondContact OD1-NH2 3.3Å; D601-R805 IonicContact OD2-CZ 2.87Å; D601-R805 IonicContact OD2-NH1 3Å; D601-R805 PolarHBondContact OD2-NH1 2.78Å; D601-R805 IonicContact OD2-NH2 3.22Å; D601-R805 PolarHBondContact OD2-NH2 3.47Å; D601-R805 VanDerWaalsContact OD2-NH2 3.08Å; R801-R805 PolarHBondContact O-N 2.94Å; R801-R805 VanDerWaalsContact O-N 3.07Å; R805-K808 PolarHBondContact O-N 3.29Å; R805-M809 WeakPolarHBondContact O-CB 3.39Å; R805-M809 PolarHBondContact O-N 2.72Å |
| 806 | R | 89.6 | Confident | 90.6 | Very high | 142 Ų | 142 | 45.2 Ų | 45.2 | 54% | 0.536 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 175.6 | 179.3 | 178.7 | 170 | 154.3 | 3 | 112.6 | I802 Q803 A804 K808 M809 Q810 | I802-R806 VanDerWaalsContact O-CB 3.26Å; I802-R806 WeakPolarHBondContact O-CB 3.43Å; I802-R806 PolarHBondContact O-N 2.68Å; Q803-R806 PolarHBondContact O-N 2.99Å; A804-R806 PolarHBondContact O-N 3.47Å; R806-K808 VanDerWaalsContact C-N 3.35Å; R806-M809 PolarHBondContact O-N 2.97Å; R806-Q810 WeakPolarHBondContact O-CG 3.43Å; R806-Q810 PolarHBondContact O-N 3.32Å |
| 807 | M | 89 | Confident | 90.5 | Very high | 59 Ų | 59 | 47.3 Ų | 47.3 | 29% | 0.291 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.8 | -39.7 | 177.8 | -73.1 | -65.9 | -174.1 | 0 | 0 | 111.5 | V720 Y721 Q803 A804 Q810 R811 | V720-M807 HydrophobicContact CG1-CG 4.31Å; Y721-M807 HydrophobicContact CE1-CB 4.03Å; Q803-M807 HydrophobicContact CG-CG 4.43Å; Q803-M807 WeakPolarHBondContact O-CB 3.32Å; Q803-M807 VanDerWaalsContact O-CG 3.26Å; Q803-M807 WeakPolarHBondContact O-CG 3.44Å; Q803-M807 PolarHBondContact O-N 3.34Å; A804-M807 PolarHBondContact O-N 3.08Å; M807-Q810 PolarHBondContact O-N 3.04Å; M807-R811 PolarHBondContact O-N 3.37Å |
| 808 | K | 90.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -45 | 171.4 | -71.2 | -172.2 | 174.2 | -161.7 | 0 | 112.4 | L600 E604 L679 T680 Y721 A804 R805 R806 Q810 R811 I812 | L600-K808 HydrophobicContact CD1-CB 3.71Å; L600-K808 HydrophobicContact CD1-CD 4.19Å; L600-K808 HydrophobicContact CD2-CB 4Å; L600-K808 HydrophobicContact CD2-CD 4.45Å; E604-K808 WeakPolarHBondContact OE1-CD 3.4Å; E604-K808 WeakPolarHBondContact OE1-CE 3.33Å; E604-K808 IonicContact OE1-NZ 3.18Å; E604-K808 PolarHBondContact OE1-NZ 2.76Å; E604-K808 IonicContact OE2-NZ 3.93Å; L679-K808 HydrophobicContact CB-CG 4.43Å; L679-K808 HydrophobicContact CD1-CB 4.4Å; T680-K808 WeakPolarHBondContact OG1-CE 3.49Å; T680-K808 PolarHBondContact OG1-NZ 3.28Å; Y721-K808 HydrophobicContact CE1-CG 4.01Å; A804-K808 WeakPolarHBondContact O-CG 3.36Å; A804-K808 PolarHBondContact O-N 3.4Å; R805-K808 PolarHBondContact O-N 3.29Å; R806-K808 VanDerWaalsContact C-N 3.35Å; K808-Q810 VanDerWaalsContact C-N 3.26Å; K808-Q810 PolarHBondContact O-N 3.4Å; K808-R811 WeakPolarHBondContact O-CA 3.36Å; K808-R811 WeakPolarHBondContact O-CB 3.45Å; K808-R811 PolarHBondContact O-N 3.48Å; K808-R811 VanDerWaalsContact O-N 3.1Å; K808-I812 WeakPolarHBondContact O-CG1 3.48Å; K808-I812 PolarHBondContact O-N 3.01Å |
| 809 | M | 90.7 | Very high | 89.5 | Confident | 20 Ų | 20 | 53 Ų | 53 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -33.4 | 175.8 | -162.9 | 67.6 | 79.3 | 0 | 0 | 112 | Y593 E596 L600 R805 R806 I812 A813 | Y593-M809 HydrophobicContact CE2-CG 4.27Å; Y593-M809 HydrophobicContact CE2-SD 3.63Å; Y593-M809 WeakPolarHBondContact OH-CG 3.26Å; E596-M809 WeakPolarHBondContact O-CE 3.38Å; L600-M809 HydrophobicContact CB-CE 3.63Å; L600-M809 HydrophobicContact CB-SD 4.49Å; R805-M809 WeakPolarHBondContact O-CB 3.39Å; R805-M809 PolarHBondContact O-N 2.72Å; R806-M809 PolarHBondContact O-N 2.97Å; M809-I812 PolarHBondContact O-N 3.13Å; M809-I812 HydrophobicContact SD-CD1 4.33Å; M809-A813 PolarHBondContact O-N 3.09Å |
| 810 | Q | 90.1 | Very high | 88.4 | Confident | 41 Ų | 41 | 49.6 Ų | 49.6 | 19% | 0.192 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.9 | -35.4 | 171.8 | -72.8 | 173.8 | -72.1 | 0 | 0 | 112.6 | R806 M807 K808 A813 A814 S823 | R806-Q810 WeakPolarHBondContact O-CG 3.43Å; R806-Q810 PolarHBondContact O-N 3.32Å; M807-Q810 PolarHBondContact O-N 3.04Å; K808-Q810 VanDerWaalsContact C-N 3.26Å; K808-Q810 PolarHBondContact O-N 3.4Å; Q810-A813 PolarHBondContact O-N 3.24Å; Q810-A814 PolarHBondContact O-N 2.94Å; Q810-S823 PolarHBondContact NE2-OG 2.83Å |
| 811 | R | 90.4 | Very high | 86.7 | Confident | 85 Ų | 85 | 57.2 Ų | 57.2 | 32% | 0.321 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 168.5 | -74.3 | -176.2 | 172.5 | -169.9 | -6.1 | 111.5 | L679 D684 Y721 M807 K808 A814 L815 | L679-R811 HydrophobicContact CD2-CB 3.98Å; L679-R811 PolarHBondContact O-NH1 2.87Å; D684-R811 IonicContact OD2-CZ 3.11Å; D684-R811 IonicContact OD2-NH1 3.89Å; D684-R811 PolarHBondContact OD2-NH1 3.2Å; D684-R811 IonicContact OD2-NH2 2.77Å; Y721-R811 PolarHBondContact OH-NE 2.88Å; M807-R811 PolarHBondContact O-N 3.37Å; K808-R811 WeakPolarHBondContact O-CA 3.36Å; K808-R811 WeakPolarHBondContact O-CB 3.45Å; K808-R811 PolarHBondContact O-N 3.48Å; K808-R811 VanDerWaalsContact O-N 3.1Å; R811-A814 PolarHBondContact O-N 3.33Å; R811-L815 PolarHBondContact O-N 2.77Å |
| 812 | I | 92.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 172.4 | -66.7 | 174.5 | 0 | 0 | 0 | 111.2 | Y593 F599 L600 F603 L679 K808 M809 A814 L815 L816 | Y593-I812 HydrophobicContact CD2-CG2 3.89Å; Y593-I812 HydrophobicContact CE2-CB 4.44Å; Y593-I812 HydrophobicContact CE2-CG2 3.68Å; F599-I812 HydrophobicContact CD1-CD1 4.43Å; F599-I812 HydrophobicContact CE1-CD1 4.45Å; F599-I812 HydrophobicContact CE1-CG2 3.85Å; L600-I812 HydrophobicContact CB-CD1 4.46Å; L600-I812 HydrophobicContact CD1-CD1 3.71Å; F603-I812 HydrophobicContact CB-CD1 4.16Å; F603-I812 HydrophobicContact CD1-CD1 3.82Å; F603-I812 HydrophobicContact CD1-CG1 4.02Å; F603-I812 HydrophobicContact CD2-CD1 4.43Å; F603-I812 HydrophobicContact CE1-CD1 4.25Å; F603-I812 HydrophobicContact CE1-CG1 3.92Å; F603-I812 HydrophobicContact CE2-CG2 4.49Å; F603-I812 HydrophobicContact CG-CD1 3.9Å; F603-I812 HydrophobicContact CG-CG1 4.4Å; F603-I812 HydrophobicContact CZ-CG1 4.21Å; L679-I812 HydrophobicContact CD1-CD1 3.78Å; L679-I812 HydrophobicContact CD1-CG1 3.67Å; L679-I812 HydrophobicContact CD2-CG1 4.06Å; K808-I812 WeakPolarHBondContact O-CG1 3.48Å; K808-I812 PolarHBondContact O-N 3.01Å; M809-I812 PolarHBondContact O-N 3.13Å; M809-I812 HydrophobicContact SD-CD1 4.33Å; I812-A814 VanDerWaalsContact C-N 3.28Å; I812-A814 PolarHBondContact O-N 3.45Å; I812-L815 WeakPolarHBondContact O-CB 3.48Å; I812-L815 PolarHBondContact O-N 2.93Å; I812-L816 HydrophobicContact CG2-CD1 4.02Å; I812-L816 WeakPolarHBondContact O-CG 3.48Å; I812-L816 PolarHBondContact O-N 3.48Å; I812-L816 VanDerWaalsContact O-N 3.1Å |
| 813 | A | 91.1 | Very high | 82.4 | Confident | 10 Ų | 10 | 56.5 Ų | 56.5 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.6 | -39.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | M809 Q810 L816 D817 L818 V820 | M809-A813 PolarHBondContact O-N 3.09Å; Q810-A813 PolarHBondContact O-N 3.24Å; A813-L816 CarbonylContact O-C 3.56Å; A813-L816 PolarHBondContact O-N 3.23Å; A813-D817 PolarHBondContact O-N 2.93Å; A813-L818 HydrophobicContact CB-CB 4.31Å; A813-L818 WeakPolarHBondContact O-CB 3.24Å; A813-L818 PolarHBondContact O-N 2.65Å; A813-V820 HydrophobicContact CB-CG2 4.33Å |
| 814 | A | 91 | Very high | 79.9 | Confident | 49 Ų | 49 | 59 Ų | 59 | 41% | 0.405 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q810 R811 I812 L816 D817 V820 | Q810-A814 PolarHBondContact O-N 2.94Å; R811-A814 PolarHBondContact O-N 3.33Å; I812-A814 VanDerWaalsContact C-N 3.28Å; I812-A814 PolarHBondContact O-N 3.45Å; A814-L816 PolarHBondContact O-N 3.47Å; A814-D817 PolarHBondContact O-N 3.07Å; A814-V820 HydrophobicContact CB-CG2 4.2Å |
| 815 | L | 92.1 | Very high | 77.6 | Confident | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.026 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.9 | -16.5 | 172.7 | -87.1 | 161.8 | 0 | 0 | 0 | 114.2 | F603 Q676 L677 L679 R811 I812 | F603-L815 HydrophobicContact CZ-CD1 4.34Å; Q676-L815 HydrophobicContact CB-CD2 3.92Å; Q676-L815 HydrophobicContact CB-CG 4.37Å; Q676-L815 VanDerWaalsContact OE1-CD2 3.24Å; L677-L815 HydrophobicContact CD2-CD1 3.69Å; L677-L815 HydrophobicContact CG-CD1 4.21Å; L679-L815 HydrophobicContact CD2-CD1 3.82Å; R811-L815 PolarHBondContact O-N 2.77Å; I812-L815 WeakPolarHBondContact O-CB 3.48Å; I812-L815 PolarHBondContact O-N 2.93Å |
| 816 | L | 91.1 | Very high | 75 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 17.1 | 176.1 | -61.4 | 177 | 0 | 0 | 0 | 112.1 | L586 L589 R590 Y593 F659 I812 A813 A814 L818 | L586-L816 HydrophobicContact CD2-CB 4.37Å; L586-L816 HydrophobicContact CD2-CD2 4.21Å; L586-L816 HydrophobicContact CG-CD2 4.12Å; L589-L816 HydrophobicContact CB-CD2 4.27Å; L589-L816 HydrophobicContact CD2-CD2 3.92Å; L589-L816 HydrophobicContact CG-CD2 4.02Å; R590-L816 HydrophobicContact CG-CB 4.28Å; R590-L816 PolarHBondContact NE-O 3.41Å; R590-L816 PolarHBondContact NH2-O 3.05Å; Y593-L816 HydrophobicContact CD2-CD1 3.89Å; Y593-L816 HydrophobicContact CG-CD1 3.97Å; F659-L816 HydrophobicContact CE2-CD2 4.38Å; F659-L816 HydrophobicContact CZ-CD2 4.42Å; I812-L816 HydrophobicContact CG2-CD1 4.02Å; I812-L816 WeakPolarHBondContact O-CG 3.48Å; I812-L816 PolarHBondContact O-N 3.48Å; I812-L816 VanDerWaalsContact O-N 3.1Å; A813-L816 CarbonylContact O-C 3.56Å; A813-L816 PolarHBondContact O-N 3.23Å; A814-L816 PolarHBondContact O-N 3.47Å; L816-L818 HydrophobicContact CB-CD1 4.24Å; L816-L818 HydrophobicContact CB-CG 4.04Å; L816-L818 HydrophobicContact CD1-CD1 4.5Å; L816-L818 PolarHBondContact O-N 3.25Å |
| 817 | D | 89.1 | Confident | 72.5 | Confident | 109 Ų | 109 | 68.9 Ų | 68.9 | 58% | 0.583 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.2 | 29.8 | -173.8 | -19.4 | -73.5 | 0 | 0 | 0 | 115 | R590 A813 A814 | R590-D817 IonicContact CZ-OD2 3.33Å; R590-D817 VanDerWaalsContact NH2-CB 3.32Å; R590-D817 IonicContact NH2-OD2 2.72Å; R590-D817 PolarHBondContact NH2-OD2 3.18Å; A813-D817 PolarHBondContact O-N 2.93Å; A814-D817 PolarHBondContact O-N 3.07Å |
| 818 | L | 87.4 | Confident | 70.2 | Confident | 48 Ų | 48 | 73.7 Ų | 73.7 | 25% | 0.251 | 42% | 0.422 | S | S | . | . | trans | -75.3 | 144.4 | 176.8 | -64.1 | 177 | 0 | 0 | 0 | 109.2 | R590 Y593 A813 L816 V820 | R590-L818 HydrophobicContact CG-CD2 4.15Å; Y593-L818 HydrophobicContact CD1-CD1 3.33Å; Y593-L818 HydrophobicContact CE1-CD1 3.49Å; Y593-L818 VanDerWaalsContact CE1-CD1 3.49Å; Y593-L818 HydrophobicContact CG-CD1 4.07Å; A813-L818 HydrophobicContact CB-CB 4.31Å; A813-L818 WeakPolarHBondContact O-CB 3.24Å; A813-L818 PolarHBondContact O-N 2.65Å; L816-L818 HydrophobicContact CB-CD1 4.24Å; L816-L818 HydrophobicContact CB-CG 4.04Å; L816-L818 HydrophobicContact CD1-CD1 4.5Å; L816-L818 PolarHBondContact O-N 3.25Å; L818-V820 PolarHBondContact O-N 2.9Å | ||
| 819 | P | 74 | Confident | 67.9 | Low | 124 Ų | 124 | 74.6 Ų | 74.6 | 81% | 0.805 | 43% | 0.432 | S | S | * | . | trans | -65.6 | 95.7 | -176.7 | 25.9 | -34.6 | 0 | 0 | 0 | 111.2 | Q821 | P819-Q821 PolarHBondContact O-N 3.48Å; P819-Q821 VanDerWaalsContact O-N 3.09Å | ||
| 820 | V | 68.1 | Low | 65.6 | Low | 69 Ų | 69 | 77.2 Ų | 77.2 | 42% | 0.418 | 44% | 0.443 | S | S | . | . | trans | -65.8 | 108.3 | 177.7 | -177 | 0 | 0 | 0 | 0 | 108.8 | A813 A814 L818 P822 | A813-V820 HydrophobicContact CB-CG2 4.33Å; A814-V820 HydrophobicContact CB-CG2 4.2Å; L818-V820 PolarHBondContact O-N 2.9Å; V820-P822 WeakPolarHBondContact O-CD 3.35Å | ||
| 821 | Q | 54.7 | Low | 62.8 | Low | 166 Ų | 166 | 79.6 Ų | 79.6 | 78% | 0.776 | 46% | 0.464 | S | S | * | . | trans | -63 | 123.2 | 170.3 | -72.8 | -168 | -1.9 | 0 | 0 | 109.5 | P819 S823 | P819-Q821 PolarHBondContact O-N 3.48Å; P819-Q821 VanDerWaalsContact O-N 3.09Å; Q821-S823 PolarHBondContact O-N 2.89Å | ||
| 822 | P | 47.6 | Very low | 60.1 | Low | 125 Ų | 125 | 84.9 Ų | 84.9 | 81% | 0.812 | 49% | 0.493 | S | S | * | . | trans | -71.9 | 92.1 | 178 | 29.1 | -33.9 | 0 | 0 | 0 | 109.6 | V820 A824 | V820-P822 WeakPolarHBondContact O-CD 3.35Å; P822-A824 PolarHBondContact O-N 3Å | ||
| 823 | S | 41.9 | Very low | 56.9 | Low | 53 Ų | 53 | 90.9 Ų | 90.9 | 37% | 0.371 | 53% | 0.529 | S | S | . | . | trans | -69.6 | 100.6 | 171.1 | 50 | 0 | 0 | 0 | 0 | 109.3 | Q810 Q821 T825 | Q810-S823 PolarHBondContact NE2-OG 2.83Å; Q821-S823 PolarHBondContact O-N 2.89Å; S823-T825 VanDerWaalsContact C-N 3.31Å; S823-T825 PolarHBondContact O-N 3.25Å | ||
| 824 | A | 39.3 | Very low | 53.8 | Low | 101 Ų | 101 | 95.4 Ų | 95.4 | 84% | 0.835 | 57% | 0.566 | S | S | * | * | trans | -62.9 | 83.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P822 | P822-A824 PolarHBondContact O-N 3Š| ||
| 825 | T | 39.3 | Very low | 51 | Low | 99 Ų | 99 | 99.1 Ų | 99.1 | 61% | 0.607 | 59% | 0.59 | S | S | * | * | trans | -154.3 | 79.9 | 166.2 | -38.7 | 0 | 0 | 0 | 0 | 109 | S823 V827 | S823-T825 VanDerWaalsContact C-N 3.31Å; S823-T825 PolarHBondContact O-N 3.25Å; T825-V827 VanDerWaalsContact C-N 3.27Å; T825-V827 HydrophobicContact CG2-CG2 3.69Å; T825-V827 PolarHBondContact O-N 3.32Å | ||
| 826 | E | 34.5 | Very low | 47.9 | Very low | 200 Ų | 200 | 103.9 Ų | 103.9 | 94% | 0.935 | 63% | 0.63 | S | S | * | * | trans | -64.6 | 93.3 | 160.9 | -70.2 | -178.1 | 141.2 | 0 | 0 | 108 | ||||
| 827 | V | 38.8 | Very low | 44.8 | Very low | 80 Ų | 80 | 109.4 Ų | 109.4 | 49% | 0.485 | 67% | 0.668 | S | S | . | * | trans | -84.7 | 112.1 | 165.7 | -177.4 | 0 | 0 | 0 | 0 | 106.2 | T825 G829 | T825-V827 VanDerWaalsContact C-N 3.27Å; T825-V827 HydrophobicContact CG2-CG2 3.69Å; T825-V827 PolarHBondContact O-N 3.32Å; V827-G829 PolarHBondContact O-N 3.18Å | ||
| 828 | L | 39 | Very low | 42.2 | Very low | 160 Ų | 160 | 110.3 Ų | 110.3 | 84% | 0.838 | 68% | 0.68 | S | S | * | * | trans | -59.2 | 98.7 | 175.9 | -75.1 | 159 | 0 | 0 | 0 | 110.4 | ||||
| 829 | G | 43.6 | Very low | 39.3 | Very low | 23 Ų | 23 | 114 Ų | 114 | 24% | 0.237 | 71% | 0.71 | C | S | . | * | trans | -71 | 160.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V827 S831 | V827-G829 PolarHBondContact O-N 3.18Å; G829-S831 PolarHBondContact O-N 3.06Å; G829-S831 PolarHBondContact O-OG 3.16Å | ||
| 830 | F | 41.2 | Very low | 36.9 | Very low | 75 Ų | 75 | 111.8 Ų | 111.8 | 33% | 0.329 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -55.4 | 102.1 | -175.2 | -66.6 | -96.5 | 0 | 0 | 0 | 111.5 | L692 D693 L694 S697 A717 D719 | L692-F830 HydrophobicContact CB-CD1 4.48Å; L692-F830 HydrophobicContact CB-CE1 4.35Å; L692-F830 HydrophobicContact CD1-CE1 4.39Å; L692-F830 HydrophobicContact CD1-CZ 4.47Å; D693-F830 WeakPolarHBondContact O-CD1 3.46Å; D693-F830 VanDerWaalsContact O-CE1 3.25Å; D693-F830 WeakPolarHBondContact O-CE1 3.45Å; L694-F830 HydrophobicContact CD2-CE1 4.33Å; S697-F830 WeakPolarHBondContact OG-CE1 3.49Å; S697-F830 VanDerWaalsContact OG-CZ 3.32Å; S697-F830 WeakPolarHBondContact OG-CZ 3.46Å; A717-F830 HydrophobicContact CB-CZ 4.48Å; D719-F830 HydrophobicContact CB-CE2 4.42Å |
| 831 | S | 32.1 | Very low | 34.9 | Very low | 90 Ų | 90 | 116.6 Ų | 116.6 | 63% | 0.629 | 73% | 0.732 | S | S | * | * | trans | -148.7 | 154.1 | -175.7 | 48.9 | 0 | 0 | 0 | 0 | 110.2 | G829 | G829-S831 PolarHBondContact O-N 3.06Å; G829-S831 PolarHBondContact O-OG 3.16Å | ||
| 832 | Q | 32.6 | Very low | 34.5 | Very low | 197 Ų | 197 | 113.1 Ų | 113.1 | 92% | 0.921 | 72% | 0.724 | S | S | * | * | trans | -74.4 | 156.6 | -161.6 | -65.1 | 175.3 | 1.7 | 0 | 0 | 113.4 | ||||
| 833 | T | 27.4 | Very low | 33.4 | Very low | 126 Ų | 126 | 116 Ų | 116 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | -75.4 | 130.5 | -164.4 | 44.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 834 | A | 26 | Very low | 32.6 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -127.9 | 145.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 835 | S | 30.8 | Very low | 32 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 90% | 0.895 | 75% | 0.75 | S | S | * | * | trans | -97.8 | 137.6 | -160.9 | 52.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 836 | A | 26.9 | Very low | 31.4 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 87% | 0.868 | 76% | 0.76 | S | S | * | * | trans | -147.1 | 152.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 837 | S | 26.3 | Very low | 31 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -93.5 | 158.9 | -169.9 | 51.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 838 | P | 34.4 | Very low | 30.4 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | trans | -97.1 | 148.7 | -162.2 | 36.6 | -36.1 | 0 | 0 | 0 | 116 | ||||
| 839 | S | 26.3 | Very low | 30.1 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | -161.4 | 132.7 | 157.9 | 64.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 840 | G | 25.1 | Very low | 29.4 | Very low | 78 Ų | 78 | 144.1 Ų | 144.1 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 95.2 | 104.2 | 152 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 841 | L | 24.6 | Very low | 28.9 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 89% | 0.885 | 82% | 0.82 | S | S | * | * | trans | -143.8 | 162.6 | 162.7 | -83.5 | -174.9 | 0 | 0 | 0 | 108.2 | ||||
| 842 | P | 47.7 | Very low | 28.7 | Very low | 94 Ų | 94 | 152.2 Ų | 152.2 | 61% | 0.61 | 83% | 0.825 | S | S | * | * | cis | -138.5 | -176.7 | -14.2 | 31 | -8.7 | 0 | 0 | 0 | 115.2 | ||||
| 843 | F | 23.8 | Very low | 29.2 | Very low | 184 Ų | 184 | 148 Ų | 148 | 81% | 0.807 | 81% | 0.814 | S | S | * | * | trans | 60.8 | 125.8 | 153.6 | -70.3 | -60 | 0 | 0 | 0 | 122.3 | ||||
| 844 | R | 25.7 | Very low | 29.1 | Very low | 248 Ų | 248 | 148.9 Ų | 148.9 | 94% | 0.936 | 81% | 0.814 | S | S | * | * | -152.6 | 132.2 | 112.8 | -113.4 | -179.9 | -172.1 | -163 | 1.8 | 112.8 | |||||
| 845 | F | 25.1 | Very low | 29.1 | Very low | 184 Ų | 184 | 151 Ų | 151 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | trans | -93.7 | 138.3 | 163.4 | -112.7 | -104.5 | 0 | 0 | 0 | 108.4 | ||||
| 846 | Y | 27.6 | Very low | 29.1 | Very low | 212 Ų | 212 | 149.8 Ų | 149.8 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | -165.5 | 105.1 | 142.1 | -127 | -88.4 | 0 | 0 | 0 | 112.1 | ||||
| 847 | E | 26.1 | Very low | 29.3 | Very low | 130 Ų | 130 | 152.1 Ų | 152.1 | 61% | 0.607 | 80% | 0.804 | S | S | * | * | trans | 48.5 | 147.1 | 133.4 | -132.1 | -166.8 | 153.1 | 0 | 0 | 124.8 | ||||
| 848 | Q | 25.8 | Very low | 29.6 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | trans | 109.5 | 130.9 | 130.9 | -119.5 | 167.5 | 60.2 | 0 | 0 | 120 | ||||
| 849 | S | 33 | Very low | 29.4 | Very low | 118 Ų | 118 | 153.7 Ų | 153.7 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -102.3 | 145 | -166.3 | -40.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 850 | R | 29.4 | Very low | 29.5 | Very low | 254 Ų | 254 | 158.2 Ų | 158.2 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | trans | -142.6 | 144.9 | 159.9 | -74.9 | -163.6 | 173.4 | -166.1 | -1.5 | 114 | ||||
| 851 | R | 29.8 | Very low | 29.6 | Very low | 248 Ų | 248 | 159.3 Ų | 159.3 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | trans | -75.5 | 166.5 | 164.6 | -77.8 | 172.9 | 173.4 | 150.3 | -3.7 | 110 | ||||
| 852 | A | 27.6 | Very low | 29.9 | Very low | 87 Ų | 87 | 156 Ų | 156 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | cis | -174.8 | -151.1 | -14.4 | 0 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 853 | P | 43.5 | Very low | 29 | Very low | 108 Ų | 108 | 161.6 Ų | 161.6 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | cis | -130.3 | -155.7 | -22.8 | 36.5 | -13.7 | 0 | 0 | 0 | 113 | ||||
| 854 | N | 25 | Very low | 29.1 | Very low | 145 Ų | 145 | 156.7 Ų | 156.7 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | 79.5 | 147.1 | 175.5 | -50.9 | -4.4 | 0 | 0 | 0 | 114.9 | ||||
| 855 | D | 26.2 | Very low | 29.2 | Very low | 148 Ų | 148 | 150.5 Ų | 150.5 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | cis | -138.6 | 164.4 | 9.4 | -148.5 | 40.6 | 0 | 0 | 0 | 111.2 | ||||
| 856 | P | 30.5 | Very low | 29.3 | Very low | 103 Ų | 103 | 147.9 Ų | 147.9 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | trans | -106.6 | 129.5 | -166.2 | 36.8 | -30.1 | 0 | 0 | 0 | 116.2 | ||||
| 857 | T | 31 | Very low | 29.3 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | trans | -172.6 | 91.9 | 145.5 | 13.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 858 | A | 32.4 | Very low | 29.6 | Very low | 100 Ų | 100 | 147.9 Ų | 147.9 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -155.4 | 126.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 859 | N | 31.1 | Very low | 29.8 | Very low | 177 Ų | 177 | 147 Ų | 147 | 95% | 0.947 | 81% | 0.812 | S | S | * | * | trans | -80.2 | 146.6 | -177.3 | -98.2 | -32.3 | 0 | 0 | 0 | 112.5 | A861 | N859-A861 PolarHBondContact O-N 2.9Š| ||
| 860 | R | 28 | Very low | 29.6 | Very low | 221 Ų | 221 | 147.1 Ų | 147.1 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -82.1 | 95.6 | -165.2 | -177.6 | -171.9 | -176.6 | 169.7 | -0.1 | 112.1 | V862 | R860-V862 HydrophobicContact CG-CG2 3.85Š| ||
| 861 | A | 28.5 | Very low | 29.4 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -69.3 | 133.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | N859 | N859-A861 PolarHBondContact O-N 2.9Š| ||
| 862 | V | 30 | Very low | 29.4 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 61% | 0.606 | 80% | 0.796 | S | S | * | * | trans | -123 | 101.8 | 179.7 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | R860 | R860-V862 HydrophobicContact CG-CG2 3.85Š| ||
| 863 | F | 28.1 | Very low | 29.5 | Very low | 212 Ų | 212 | 136.4 Ų | 136.4 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | trans | -131.3 | 116.2 | 154.9 | -82.4 | -77.4 | 0 | 0 | 0 | 108.3 | ||||
| 864 | A | 27.7 | Very low | 28.7 | Very low | 81 Ų | 81 | 136.8 Ų | 136.8 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -85.9 | 143.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | V866 | A864-V866 PolarHBondContact O-N 3.23Š| ||
| 865 | S | 27.6 | Very low | 28.8 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -61.2 | 120.8 | 172.6 | 50 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 866 | V | 27.2 | Very low | 28.8 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | trans | -108.8 | 81.6 | 177.4 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | A864 K868 | A864-V866 PolarHBondContact O-N 3.23Å; V866-K868 PolarHBondContact O-N 3.33Å | ||
| 867 | D | 27.3 | Very low | 28.5 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -80.1 | 91.8 | 160.1 | -97.2 | -47.7 | 0 | 0 | 0 | 109.4 | ||||
| 868 | K | 31.2 | Very low | 28.2 | Very low | 186 Ų | 186 | 135.5 Ų | 135.5 | 81% | 0.809 | 80% | 0.798 | S | S | * | * | trans | 176.1 | 125.7 | 150.2 | -98.5 | 148.7 | -169.5 | 174.1 | 0 | 111.7 | V866 | V866-K868 PolarHBondContact O-N 3.33Š| ||
| 869 | V | 29.9 | Very low | 28.1 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -92.1 | 131.4 | 164.7 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 870 | P | 29.1 | Very low | 27.9 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -119.6 | 132.4 | 149.9 | 7.8 | 13.7 | 0 | 0 | 0 | 110.8 | ||||
| 871 | G | 26.8 | Very low | 27.7 | Very low | 65 Ų | 65 | 135 Ų | 135 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | -101.2 | 173.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 872 | F | 28.9 | Very low | 27.6 | Very low | 209 Ų | 209 | 135.1 Ų | 135.1 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | 65.5 | 100.2 | 170.1 | -93.9 | -91.8 | 0 | 0 | 0 | 118.9 | ||||
| 873 | A | 28.8 | Very low | 28.2 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -144.9 | 121 | 138.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 874 | V | 26.7 | Very low | 28.2 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 70% | 0.697 | 78% | 0.78 | S | S | * | * | 61 | 110.4 | 62.4 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 875 | A | 28.9 | Very low | 29.2 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | -80.7 | 138 | -176 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 876 | H | 26.1 | Very low | 29.2 | Very low | 181 Ų | 181 | 133.3 Ų | 133.3 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -140.4 | 134.6 | 162.9 | -92.7 | -87.3 | 0 | 0 | 0 | 109.9 | ||||
| 877 | C | 23.3 | Very low | 29.3 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -98.8 | -170.6 | 177.6 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 878 | V | 25.3 | Very low | 29.5 | Very low | 135 Ų | 135 | 130.4 Ų | 130.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 82.9 | 134.1 | 164.2 | -170.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 879 | P | 30.3 | Very low | 30.2 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | cis | -132.6 | -169.1 | -28.3 | 39.3 | -21.3 | 0 | 0 | 0 | 113.3 | ||||
| 880 | Q | 25.6 | Very low | 30.1 | Very low | 178 Ų | 178 | 125.8 Ų | 125.8 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -78.5 | 154.7 | 166.4 | -62.8 | 176.4 | -14.6 | 0 | 0 | 112.6 | ||||
| 881 | H | 25.4 | Very low | 31.5 | Very low | 194 Ų | 194 | 125.7 Ų | 125.7 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | trans | -155.4 | 148.8 | 137.9 | -112.8 | -79 | 0 | 0 | 0 | 111.6 | ||||
| 882 | S | 24.5 | Very low | 32.8 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -116.9 | -169.9 | -175.2 | 61 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 883 | P | 43.6 | Very low | 32.9 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | cis | -148.2 | 175.7 | 8.1 | 43.2 | -23.1 | 0 | 0 | 0 | 119.5 | ||||
| 884 | S | 29 | Very low | 33.1 | Very low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | 72.9 | 168.1 | 139.9 | 75 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 885 | P | 47.8 | Very low | 33.1 | Very low | 107 Ų | 107 | 122.1 Ų | 122.1 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | cis | -138.8 | 168.4 | -38.9 | 30.2 | -11.1 | 0 | 0 | 0 | 115.2 | ||||
| 886 | L | 27.4 | Very low | 33.4 | Very low | 158 Ų | 158 | 124 Ų | 124 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | 153.9 | 148 | 122 | -87.3 | 165.5 | 0 | 0 | 0 | 117.5 | |||||
| 887 | S | 29.1 | Very low | 33.4 | Very low | 112 Ų | 112 | 118.8 Ų | 118.8 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | 73.8 | 120.4 | 150.7 | -60 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 888 | S | 31.8 | Very low | 33.9 | Very low | 112 Ų | 112 | 118.7 Ų | 118.7 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -110.8 | 176.9 | 151.5 | 68.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 889 | P | 45.7 | Very low | 34.2 | Very low | 122 Ų | 122 | 119 Ų | 119 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | -147.7 | -168.6 | 50.9 | 40.7 | -17.4 | 0 | 0 | 0 | 117.1 | |||||
| 890 | S | 27.6 | Very low | 34.1 | Very low | 110 Ų | 110 | 116.9 Ų | 116.9 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -103.5 | -157.9 | -178 | -28 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 891 | P | 57.9 | Low | 34.4 | Very low | 120 Ų | 120 | 119.5 Ų | 119.5 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | cis | -124 | -118.1 | -19.6 | 28.8 | -3.1 | 0 | 0 | 0 | 110.2 | ||||
| 892 | P | 54.3 | Low | 34.7 | Very low | 101 Ų | 101 | 115.5 Ų | 115.5 | 66% | 0.656 | 77% | 0.772 | S | S | * | * | cis | -136 | 169.4 | -40 | 35.9 | -16.7 | 0 | 0 | 0 | 117.9 | ||||
| 893 | S | 32.2 | Very low | 34.8 | Very low | 111 Ų | 111 | 117.3 Ų | 117.3 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | 74.1 | 146.2 | 147.9 | 78.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 894 | S | 32.3 | Very low | 34.4 | Very low | 118 Ų | 118 | 118 Ų | 118 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | cis | -138.5 | -177.7 | 10.4 | -67.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 895 | G | 27.8 | Very low | 34.4 | Very low | 74 Ų | 74 | 119.6 Ų | 119.6 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | cis | 114.5 | 145.5 | 6.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 896 | S | 33.9 | Very low | 33.7 | Very low | 135 Ų | 135 | 120.7 Ų | 120.7 | 94% | 0.944 | 79% | 0.791 | S | S | * | * | cis | -172.5 | 155.9 | -3.8 | -167.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 897 | G | 26.4 | Very low | 33.9 | Very low | 70 Ų | 70 | 117.3 Ų | 117.3 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 108.5 | 158.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 898 | S | 33.4 | Very low | 34 | Very low | 111 Ų | 111 | 117.5 Ų | 117.5 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | cis | -167.7 | 167.2 | -12 | -163.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 899 | T | 31.4 | Very low | 34 | Very low | 142 Ų | 142 | 118.5 Ų | 118.5 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | trans | 64.4 | 143.3 | 172 | 73.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 900 | G | 29.1 | Very low | 33.1 | Very low | 71 Ų | 71 | 119.3 Ų | 119.3 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | cis | 160.1 | 126.7 | -17.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 901 | R | 31.4 | Very low | 33.2 | Very low | 234 Ų | 234 | 118.7 Ų | 118.7 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | 66.3 | 159.5 | 169.6 | -75.1 | -175.8 | 178.9 | 173.4 | -1.9 | 116.5 | ||||
| 902 | C | 32.4 | Very low | 31.7 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | cis | -158.9 | 163.3 | 2.5 | 30.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 903 | D | 26.4 | Very low | 30.5 | Very low | 139 Ų | 139 | 122 Ų | 122 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | cis | -159.1 | -147.4 | -19.1 | -87 | -25.3 | 0 | 0 | 0 | 107.1 | ||||
| 904 | S | 35.6 | Very low | 30.4 | Very low | 116 Ų | 116 | 121.9 Ų | 121.9 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -136.6 | 167.2 | -154.8 | -45.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 905 | V | 29.3 | Very low | 31.3 | Very low | 140 Ų | 140 | 121.7 Ų | 121.7 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -132 | 130.9 | 159 | -175.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 906 | T | 32 | Very low | 31.3 | Very low | 130 Ų | 130 | 122.7 Ų | 122.7 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | -49.8 | 163.9 | 175.3 | 46.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 907 | A | 32.6 | Very low | 30.9 | Very low | 87 Ų | 87 | 123.7 Ų | 123.7 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | cis | -170.1 | -162.5 | -11.6 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 908 | S | 30.5 | Very low | 30.9 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | cis | -155.1 | -167.1 | 20 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 909 | T | 31 | Very low | 30.4 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | -144.8 | 149.5 | -166 | 52.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 910 | T | 26.6 | Very low | 30.1 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | trans | -169.9 | 167.7 | 153.6 | 28.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 911 | S | 31.1 | Very low | 30 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | cis | -176.1 | 154.9 | -48.5 | 56 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 912 | V | 26.2 | Very low | 29.7 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 81.3 | 101.1 | 160.1 | -169.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 913 | Q | 28.4 | Very low | 29.3 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | 35.3 | 125.1 | 126 | -63.3 | 168 | -23.1 | 0 | 0 | 121.1 | |||||
| 914 | S | 30.1 | Very low | 29.3 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | 108.7 | 171.1 | 65.5 | -61.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 915 | P | 51.6 | Low | 29.3 | Very low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | -130.3 | 176.4 | -83.3 | 39.9 | -22.2 | 0 | 0 | 0 | 115.7 | |||||
| 916 | S | 28.1 | Very low | 29.6 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | 31.1 | 144.2 | 150.3 | 68.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 917 | D | 25.8 | Very low | 29.5 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | -178.6 | -169.4 | 110.6 | -90.2 | 8.8 | 0 | 0 | 0 | 112.5 | |||||
| 918 | D | 25.3 | Very low | 29.6 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -94.7 | 170 | -136.5 | -122.9 | -41.4 | 0 | 0 | 0 | 119.5 | ||||
| 919 | C | 24 | Very low | 29.7 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | 5 | 132.3 | 155.7 | -67.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 920 | A | 25.3 | Very low | 29.8 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | -175.4 | 155.2 | 110.6 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 921 | Y | 26.1 | Very low | 29.8 | Very low | 230 Ų | 230 | 128.7 Ų | 128.7 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -78.4 | 141.7 | 164.3 | -84.6 | -109.3 | 0 | 0 | 0 | 111.1 | ||||
| 922 | L | 25.4 | Very low | 29.8 | Very low | 169 Ų | 169 | 127.6 Ų | 127.6 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | -174.1 | 169.9 | 115.7 | -103.1 | 169.1 | 0 | 0 | 0 | 113.3 | |||||
| 923 | E | 24.9 | Very low | 30.2 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | -88.8 | 161.6 | -171.7 | -76.5 | 178.5 | 116.6 | 0 | 0 | 115.6 | ||||
| 924 | H | 25.8 | Very low | 30.5 | Very low | 171 Ų | 171 | 126.6 Ų | 126.6 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | 68.4 | 108.3 | 154.9 | -64 | -45.3 | 0 | 0 | 0 | 121.5 | ||||
| 925 | T | 34.3 | Very low | 30.7 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | -7.2 | 141.1 | 124.3 | 51.3 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 926 | P | 37.3 | Very low | 29.8 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | -153 | 169.2 | 81.5 | 40.3 | -22.7 | 0 | 0 | 0 | 117.5 | |||||
| 927 | S | 29 | Very low | 29.9 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | 51.2 | 148 | 143.9 | 62 | 0 | 0 | 0 | 0 | 121 | ||||
| 928 | S | 33.7 | Very low | 30 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | cis | -174.4 | -173.3 | -7.6 | 52.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 929 | S | 34 | Very low | 30.2 | Very low | 100 Ų | 100 | 123.2 Ų | 123.2 | 70% | 0.699 | 82% | 0.818 | S | S | * | * | cis | -170.1 | -173.1 | 29.2 | 59.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 930 | S | 31.9 | Very low | 30.3 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | trans | 70.9 | 123.2 | 179.1 | 75.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 931 | G | 27.7 | Very low | 30.3 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | cis | -163 | 170.5 | -11.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 932 | G | 30.2 | Very low | 31 | Very low | 74 Ų | 74 | 121.3 Ų | 121.3 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | cis | 140.7 | 147.7 | 9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 933 | E | 35.8 | Very low | 31.1 | Very low | 206 Ų | 206 | 118.8 Ų | 118.8 | 96% | 0.963 | 81% | 0.81 | S | S | * | * | cis | -152.8 | 175.2 | -2.7 | -58.3 | -168.1 | 87.6 | 0 | 0 | 107.1 | ||||
| 934 | G | 34.4 | Very low | 31.1 | Very low | 63 Ų | 63 | 117.6 Ų | 117.6 | 65% | 0.649 | 81% | 0.813 | S | S | * | * | cis | -179.1 | -175.2 | 5.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 935 | E | 35 | Very low | 31.8 | Very low | 211 Ų | 211 | 114.9 Ų | 114.9 | 99% | 0.986 | 81% | 0.811 | S | S | * | * | trans | 61.6 | 130.3 | 173.9 | -52.9 | -170.9 | 116 | 0 | 0 | 118.3 | ||||
| 936 | G | 31.1 | Very low | 31.4 | Very low | 84 Ų | 84 | 115 Ų | 115 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | cis | 141.4 | 134.4 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 937 | G | 30.9 | Very low | 30.9 | Very low | 87 Ų | 87 | 116.9 Ų | 116.9 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | cis | 154.6 | 116.5 | -13 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 938 | G | 28.7 | Very low | 31.6 | Very low | 89 Ų | 89 | 116.8 Ų | 116.8 | 92% | 0.918 | 82% | 0.817 | S | S | * | * | trans | 163.1 | 155.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 939 | G | 28.3 | Very low | 31.5 | Very low | 80 Ų | 80 | 117.7 Ų | 117.7 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | 146.6 | 109 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 940 | E | 26.9 | Very low | 31.6 | Very low | 201 Ų | 201 | 118.7 Ų | 118.7 | 94% | 0.939 | 82% | 0.822 | S | S | * | * | trans | -81 | -176.4 | -168.2 | -61.9 | 169.6 | 114.2 | 0 | 0 | 117.2 | ||||
| 941 | A | 24.3 | Very low | 31.4 | Very low | 90 Ų | 90 | 117.1 Ų | 117.1 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | trans | -96.4 | -155 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 942 | P | 42.4 | Very low | 31.8 | Very low | 116 Ų | 116 | 119.1 Ų | 119.1 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | cis | -139.9 | -159.2 | -8.8 | 42.7 | -22.1 | 0 | 0 | 0 | 115.2 | ||||
| 943 | S | 26.9 | Very low | 31.6 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 107.9 | 148.9 | 146.5 | 77.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 944 | T | 24.4 | Very low | 31.2 | Very low | 130 Ų | 130 | 118.7 Ų | 118.7 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | trans | -105 | 170.4 | 178 | 49.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 945 | P | 40.5 | Very low | 30.8 | Very low | 114 Ų | 114 | 120 Ų | 120 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | cis | -156.3 | -162 | 39.7 | 45.7 | -22.3 | 0 | 0 | 0 | 118.7 | ||||
| 946 | S | 26.5 | Very low | 30.6 | Very low | 120 Ų | 120 | 116.2 Ų | 116.2 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | 105.4 | 144.2 | 155.8 | 76.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 947 | N | 26.7 | Very low | 30.3 | Very low | 149 Ų | 149 | 117.4 Ų | 117.4 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -123.1 | 171.8 | 179.2 | -132.5 | -7.9 | 0 | 0 | 0 | 105.7 | ||||
| 948 | P | 44.3 | Very low | 30.2 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 69% | 0.688 | 81% | 0.808 | S | S | * | * | cis | -148.4 | 157.8 | 28.2 | 40.6 | -19.7 | 0 | 0 | 0 | 119.5 | ||||
| 949 | V | 29.9 | Very low | 30.2 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | trans | 67.4 | 151.4 | 143.2 | 168.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 950 | P | 37.5 | Very low | 30.4 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | cis | -117.1 | -173.5 | 1.3 | 26.5 | -3.7 | 0 | 0 | 0 | 115.4 | ||||
| 951 | A | 28 | Very low | 30.4 | Very low | 90 Ų | 90 | 120.9 Ų | 120.9 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | -93.5 | -176.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 952 | P | 34.9 | Very low | 30.5 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | cis | -124.8 | 178.5 | -5.1 | 41.8 | -27.1 | 0 | 0 | 0 | 114.3 | ||||
| 953 | A | 25.6 | Very low | 29.9 | Very low | 99 Ų | 99 | 125.2 Ų | 125.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -114.2 | 139 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 954 | L | 27.6 | Very low | 30 | Very low | 172 Ų | 172 | 125.8 Ų | 125.8 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | trans | -129.2 | 148.7 | 168.9 | -79.8 | 169.5 | 0 | 0 | 0 | 109.5 | ||||
| 955 | A | 26.9 | Very low | 30.1 | Very low | 90 Ų | 90 | 125.5 Ų | 125.5 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | -1.6 | 125.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 956 | P | 30.1 | Very low | 29.5 | Very low | 132 Ų | 132 | 126.3 Ų | 126.3 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 131.9 | 162.6 | 32.3 | -32 | 0 | 0 | 0 | 110.8 | ||
| 957 | S | 25.6 | Very low | 29.5 | Very low | 109 Ų | 109 | 125.7 Ų | 125.7 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 148.7 | 174.4 | 44.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 958 | L | 27.4 | Very low | 29.4 | Very low | 175 Ų | 175 | 125.3 Ų | 125.3 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 128.3 | 169.9 | -69.7 | 172.4 | 0 | 0 | 0 | 109.8 | ||
| 959 | T | 30.4 | Very low | 28.6 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 133.4 | 178.5 | 42.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 960 | P | 30.8 | Very low | 28.5 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 153.1 | 171.9 | -20.4 | 33.4 | 0 | 0 | 0 | 113 | ||
| 961 | A | 27.1 | Very low | 27.9 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 156.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 962 | S | 28 | Very low | 27.8 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 131.2 | -171 | 55.2 | 0 | 0 | 0 | 0 | 115 | ||
| 963 | Q | 28.9 | Very low | 27.4 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 154.4 | 158.6 | -71.4 | -179.7 | -19.8 | 0 | 0 | 111.3 | ||
| 964 | P | 29.5 | Very low | 27.5 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 144 | 175.9 | 33 | -34.1 | 0 | 0 | 0 | 112.5 | ||
| 965 | T | 26.7 | Very low | 27.5 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 135.9 | 179.7 | -40.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 966 | I | 27 | Very low | 27.5 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 67% | 0.667 | 81% | 0.811 | S | S | * | * | trans | -118.7 | 137.6 | 156.7 | -65.3 | 179.5 | 0 | 0 | 0 | 107.3 | ||||
| 967 | S | 25.9 | Very low | 27.2 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -109.9 | 127 | 178.9 | -56.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 968 | L | 26.5 | Very low | 27.1 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | trans | -121.7 | 159 | 161.2 | -82.8 | 172.1 | 0 | 0 | 0 | 109.7 | ||||
| 969 | L | 26.6 | Very low | 27.3 | Very low | 174 Ų | 174 | 135.2 Ų | 135.2 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | trans | -89 | 145.6 | -163.6 | -67.2 | 161.3 | 0 | 0 | 0 | 111.7 | ||||
| 970 | T | 27.4 | Very low | 27 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -81 | 135.9 | 169.1 | 50.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 971 | D | 25 | Very low | 26.8 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | trans | -148.5 | 146.9 | 136.7 | -99.9 | -36.3 | 0 | 0 | 0 | 108.3 | ||||
| 972 | S | 27.1 | Very low | 26.7 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | trans | -88.4 | 141.6 | -167.4 | -59.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 973 | N | 26.2 | Very low | 26.7 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | 175.4 | 90.5 | 132.6 | -89.6 | -10.8 | 0 | 0 | 0 | 111.1 | ||||
| 974 | A | 27.5 | Very low | 26.6 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -162.1 | 109.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 975 | D | 26.3 | Very low | 26.4 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -81 | 128.7 | 179 | -79.6 | -55.5 | 0 | 0 | 0 | 112.4 | ||||
| 976 | T | 27 | Very low | 26.4 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | 39 | 96.2 | 150.2 | 61.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 977 | L | 24.2 | Very low | 26.4 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 94% | 0.942 | 81% | 0.807 | S | S | * | * | trans | -127 | 106.5 | 137.1 | -75.1 | 178.6 | 0 | 0 | 0 | 108.7 | ||||
| 978 | S | 23.9 | Very low | 26.5 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | -83.9 | 135.5 | -177.3 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | E980 | S978-E980 PolarHBondContact O-N 2.79Š| ||
| 979 | V | 31.4 | Very low | 26.4 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -84.8 | 92.2 | 176 | -177 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 980 | E | 24.6 | Very low | 26.4 | Very low | 167 Ų | 167 | 134.1 Ų | 134.1 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | trans | -136.9 | 159.6 | 164.9 | -74.3 | -161 | 137.2 | 0 | 0 | 111.2 | S978 | S978-E980 PolarHBondContact O-N 2.79Š| ||
| 981 | S | 25.7 | Very low | 26.5 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | trans | 64.9 | 89.7 | 168 | -57.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 982 | L | 24.6 | Very low | 26.4 | Very low | 186 Ų | 186 | 133.3 Ų | 133.3 | 97% | 0.974 | 79% | 0.789 | S | S | * | * | trans | -115.4 | 48.1 | 142.9 | -79.2 | 179.6 | 0 | 0 | 0 | 111.3 | ||||
| 983 | T | 28.4 | Very low | 26.3 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 68% | 0.675 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -82.3 | 125.9 | 156.2 | 45 | 0 | 0 | 0 | 0 | 108.9 | L985 | T983-L985 PolarHBondContact O-N 2.9Å; T983-L985 VanDerWaalsContact O-N 3.11Å |
| 984 | L | 26.9 | Very low | 26.2 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 94% | 0.937 | 79% | 0.787 | S | S | * | * | trans | -57.3 | 113.5 | 179.4 | -68.1 | 166.4 | 0 | 0 | 0 | 111.1 | ||||
| 985 | L | 24.9 | Very low | 26 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -84.7 | 145.5 | 162.9 | -80.9 | 168.4 | 0 | 0 | 0 | 109.5 | T983 | T983-L985 PolarHBondContact O-N 2.9Å; T983-L985 VanDerWaalsContact O-N 3.11Å | ||
| 986 | P | 27.2 | Very low | 25.8 | Very low | 83 Ų | 83 | 139 Ų | 139 | 54% | 0.539 | 78% | 0.783 | S | S | . | * | trans | -73.4 | 158.2 | -179.3 | 32.2 | -36.1 | 0 | 0 | 0 | 111.7 | A988 | P986-A988 PolarHBondContact O-N 3.09Š| ||
| 987 | P | 28.2 | Very low | 25.5 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -66.1 | 114.4 | 170.1 | 28.2 | -33.5 | 0 | 0 | 0 | 110.2 | D989 | P987-D989 PolarHBondContact O-N 2.9Š| ||
| 988 | A | 26.8 | Very low | 25.5 | Very low | 86 Ų | 86 | 133.7 Ų | 133.7 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -88.9 | 98.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | P986 | P986-A988 PolarHBondContact O-N 3.09Š| ||
| 989 | D | 25.3 | Very low | 25.5 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | 162.5 | 133.6 | 118 | -82.3 | -8.5 | 0 | 0 | 0 | 111.6 | P987 | P987-D989 PolarHBondContact O-N 2.9Š| |||
| 990 | S | 26.6 | Very low | 25.2 | Very low | 96 Ų | 96 | 136.1 Ų | 136.1 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | trans | -109.1 | 150.4 | 166 | -67.4 | 0 | 0 | 0 | 0 | 108.3 | H992 | S990-H992 PolarHBondContact O-CD2 3.2Å; S990-H992 PolarHBondContact O-N 2.99Å | ||
| 991 | P | 27.7 | Very low | 25.2 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -62.7 | 108.6 | -175.9 | 24.3 | -33.8 | 0 | 0 | 0 | 111.9 | L993 | P991-L993 PolarHBondContact O-N 3.13Å; P991-L993 VanDerWaalsContact O-N 3.13Å | ||
| 992 | H | 24.3 | Very low | 25.2 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -73.2 | 99.8 | 175.4 | -82.4 | -85.3 | 0 | 0 | 0 | 111 | S990 H994 | S990-H992 PolarHBondContact O-CD2 3.2Å; S990-H992 PolarHBondContact O-N 2.99Å; H992-H994 PolarHBondContact O-N 3.38Å | ||
| 993 | L | 24.2 | Very low | 25.1 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | trans | -67.7 | 92.8 | 163.9 | -76.7 | 171.3 | 0 | 0 | 0 | 109.9 | P991 P995 | P991-L993 PolarHBondContact O-N 3.13Å; P991-L993 VanDerWaalsContact O-N 3.13Å; L993-P995 WeakPolarHBondContact O-CD 3.47Å | ||
| 994 | H | 23.8 | Very low | 24.9 | Very low | 150 Ų | 150 | 143 Ų | 143 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | trans | -74.4 | 123.1 | 171.5 | -90.5 | -81.6 | 0 | 0 | 0 | 111.1 | H992 Y996 | H992-H994 PolarHBondContact O-N 3.38Å; H994-Y996 PolarHBondContact O-N 2.95Å; H994-Y996 VanDerWaalsContact O-N 3.15Å | ||
| 995 | P | 23.5 | Very low | 24.9 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | trans | -73.3 | 105.1 | 168.2 | 29.5 | -32.2 | 0 | 0 | 0 | 109.8 | L993 A997 | L993-P995 WeakPolarHBondContact O-CD 3.47Å; P995-A997 PolarHBondContact O-N 2.99Å | ||
| 996 | Y | 22 | Very low | 24.8 | Very low | 207 Ų | 207 | 141.6 Ų | 141.6 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -73.8 | 90.8 | 176.1 | -112.9 | -89.3 | 0 | 0 | 0 | 111 | H994 V998 | H994-Y996 PolarHBondContact O-N 2.95Å; H994-Y996 VanDerWaalsContact O-N 3.15Å; Y996-V998 VanDerWaalsContact C-N 3.34Å; Y996-V998 HydrophobicContact CD1-CG2 4.36Å; Y996-V998 PolarHBondContact O-N 3.07Å | ||
| 997 | A | 22.3 | Very low | 24.7 | Very low | 93 Ų | 93 | 142 Ų | 142 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -75 | 81.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P995 T999 | P995-A997 PolarHBondContact O-N 2.99Å; A997-T999 PolarHBondContact O-N 3.23Å | ||
| 998 | V | 23.9 | Very low | 24.4 | Very low | 99 Ų | 99 | 141 Ų | 141 | 60% | 0.6 | 78% | 0.783 | S | S | * | * | trans | -75.3 | 112.1 | 174.3 | -177.6 | 0 | 0 | 0 | 0 | 110 | Y996 H1000 | Y996-V998 VanDerWaalsContact C-N 3.34Å; Y996-V998 HydrophobicContact CD1-CG2 4.36Å; Y996-V998 PolarHBondContact O-N 3.07Å; V998-H1000 PolarHBondContact O-N 3Å; V998-H1000 VanDerWaalsContact O-N 3.1Å | ||
| 999 | T | 24.3 | Very low | 24.4 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | trans | -78.4 | 91 | 177.2 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | A997 | A997-T999 PolarHBondContact O-N 3.23Š| ||
| 1000 | H | 24.5 | Very low | 24.4 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | trans | -100 | 103.1 | 160.6 | -86.8 | -68.1 | 0 | 0 | 0 | 111 | V998 | V998-H1000 PolarHBondContact O-N 3Å; V998-H1000 VanDerWaalsContact O-N 3.1Å | ||
| 1001 | S | 24.4 | Very low | 24.4 | Very low | 110 Ų | 110 | 145.8 Ų | 145.8 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -69.3 | 131.1 | 160.8 | 43.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1002 | L | 24.8 | Very low | 24.4 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | trans | -153.9 | 123.7 | 152.3 | -114.7 | 168.3 | 0 | 0 | 0 | 110.6 | ||||
| 1003 | Q | 24.1 | Very low | 24.5 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -96.2 | 135 | -179.2 | -167.9 | 169.4 | 1.7 | 0 | 0 | 108 | P1005 | Q1003-P1005 WeakPolarHBondContact O-CD 3.46Š| ||
| 1004 | R | 22.5 | Very low | 24.6 | Very low | 240 Ų | 240 | 147.7 Ų | 147.7 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | trans | -59.2 | 140.5 | 177.7 | -93.2 | -175.3 | 176.1 | 164.2 | -1 | 112 | ||||
| 1005 | P | 27.9 | Very low | 24.7 | Very low | 120 Ų | 120 | 149.4 Ų | 149.4 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | -102.9 | -175 | 131 | -13.3 | 32 | 0 | 0 | 0 | 112.1 | Q1003 | Q1003-P1005 WeakPolarHBondContact O-CD 3.46Š| ||
| 1006 | E | 22.6 | Very low | 24.8 | Very low | 189 Ų | 189 | 153.4 Ų | 153.4 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -113.4 | 161.2 | -167.9 | -57.7 | 176.3 | 116.1 | 0 | 0 | 113.8 | ||||
| 1007 | A | 24.5 | Very low | 25 | Very low | 91 Ų | 91 | 155 Ų | 155 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | 58.4 | 123.1 | 153.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1008 | S | 23 | Very low | 25.1 | Very low | 106 Ų | 106 | 160.2 Ų | 160.2 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | 160.6 | 136.6 | 94.2 | 52.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1009 | I | 26.2 | Very low | 25.2 | Very low | 146 Ų | 146 | 160.1 Ų | 160.1 | 75% | 0.749 | 81% | 0.813 | S | S | * | * | trans | 68.5 | 118.4 | 134.7 | -66.7 | 171.2 | 0 | 0 | 0 | 121.7 | ||||
| 1010 | M | 25 | Very low | 25.2 | Very low | 137 Ų | 137 | 160.1 Ų | 160.1 | 68% | 0.675 | 82% | 0.817 | S | S | * | * | trans | 56.5 | 135.1 | 144.4 | -70.4 | 158.5 | 61.9 | 0 | 0 | 123.2 | ||||
| 1011 | E | 26.7 | Very low | 25.2 | Very low | 143 Ų | 143 | 162.4 Ų | 162.4 | 67% | 0.668 | 82% | 0.818 | S | S | * | * | trans | 61.6 | 148.6 | 142.3 | -70.9 | 140.3 | -151 | 0 | 0 | 118.6 | ||||
| 1012 | E | 27.6 | Very low | 25.3 | Very low | 148 Ų | 148 | 164.9 Ų | 164.9 | 69% | 0.692 | 82% | 0.818 | S | S | * | * | cis | -157 | 159.7 | 7.8 | -129.3 | 158.1 | -166.3 | 0 | 0 | 109.9 | ||||
| 1013 | E | 27.2 | Very low | 25.4 | Very low | 165 Ų | 165 | 168.1 Ų | 168.1 | 77% | 0.771 | 82% | 0.818 | S | S | * | * | trans | 53.2 | 137 | 157.3 | -68.7 | 169.8 | 178.1 | 0 | 0 | 119.9 | ||||
| 1014 | E | 25.6 | Very low | 25.4 | Very low | 181 Ų | 181 | 168.6 Ų | 168.6 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | 54.6 | 126.7 | 72.6 | -60.1 | -166 | 159.1 | 0 | 0 | 113 | |||||
| 1015 | E | 25.7 | Very low | 25.5 | Very low | 185 Ų | 185 | 166.1 Ų | 166.1 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | cis | -138.5 | 152 | 13 | -54.2 | 171.3 | 107.4 | 0 | 0 | 111.7 | ||||
| 1016 | E | 27.1 | Very low | 25.5 | Very low | 202 Ų | 202 | 169.5 Ų | 169.5 | 94% | 0.944 | 82% | 0.824 | S | S | * | * | trans | -157.6 | 91.9 | 146.3 | -133.3 | 174.6 | -141.7 | 0 | 0 | 111.8 | ||||
| 1017 | R | 24.9 | Very low | 25.8 | Very low | 242 Ų | 242 | 168.4 Ų | 168.4 | 91% | 0.913 | 82% | 0.823 | S | S | * | * | trans | -144.7 | 75.6 | 172.9 | -81 | -171.7 | 171.6 | -170.6 | 0.8 | 111.2 | ||||
| 1018 | E | 24.8 | Very low | 25.8 | Very low | 201 Ų | 201 | 172.7 Ų | 172.7 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | trans | -178.8 | 85.7 | 151.5 | -108.2 | 171.5 | -172.9 | 0 | 0 | 111.7 | ||||
| 1019 | A | 25.6 | Very low | 26.1 | Very low | 98 Ų | 98 | 176.3 Ų | 176.3 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | trans | -158.8 | 53.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1020 | C | 25.5 | Very low | 26.2 | Very low | 133 Ų | 133 | 178.6 Ų | 178.6 | 90% | 0.899 | 84% | 0.841 | S | S | * | * | trans | -175.2 | 84.3 | 156.9 | -109 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1021 | R | 24.3 | Very low | 26.3 | Very low | 220 Ų | 220 | 180 Ų | 180 | 83% | 0.83 | 85% | 0.851 | S | S | * | * | trans | -136.6 | 150.3 | 157.5 | -86.2 | -169.9 | 175.8 | -161.2 | 3.6 | 109.1 | ||||
| 1022 | E | 25.2 | Very low | 26.3 | Very low | 163 Ų | 163 | 175.7 Ų | 175.7 | 76% | 0.762 | 85% | 0.845 | S | S | * | * | trans | 51 | 92 | 159.9 | -70 | 135.9 | -125.1 | 0 | 0 | 116.5 | ||||
| 1023 | R | 27.6 | Very low | 26.3 | Very low | 242 Ų | 242 | 173.5 Ų | 173.5 | 91% | 0.913 | 85% | 0.845 | S | S | * | * | trans | -148.3 | 59.1 | 149.4 | -150.8 | 173.5 | -165.4 | 166.4 | 7.7 | 113.9 | ||||
| 1024 | E | 24.8 | Very low | 26.4 | Very low | 188 Ų | 188 | 172.2 Ų | 172.2 | 88% | 0.879 | 84% | 0.843 | S | S | * | * | trans | -96.2 | 177.3 | 140.2 | -67.9 | -170.9 | 131 | 0 | 0 | 108 | ||||
| 1025 | E | 24.8 | Very low | 26.5 | Very low | 189 Ų | 189 | 171.5 Ų | 171.5 | 88% | 0.883 | 84% | 0.842 | S | S | * | * | trans | 76.8 | 162.5 | -174 | -52.3 | -164.9 | 154 | 0 | 0 | 117.2 | ||||
| 1026 | E | 27.4 | Very low | 26.7 | Very low | 190 Ų | 190 | 169 Ų | 169 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | trans | 66 | 79.9 | -178.2 | -60 | -166.3 | 158.4 | 0 | 0 | 118.7 | ||||
| 1027 | L | 27.6 | Very low | 26.8 | Very low | 166 Ų | 166 | 167.2 Ų | 167.2 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | trans | -127.9 | 134.4 | 142.3 | -89.3 | 172.9 | 0 | 0 | 0 | 108.8 | ||||
| 1028 | Q | 26.3 | Very low | 27 | Very low | 181 Ų | 181 | 161.1 Ų | 161.1 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | 79.8 | 137.3 | -170.8 | -49.4 | 173.4 | 10.3 | 0 | 0 | 112.5 | ||||
| 1029 | E | 28.1 | Very low | 27.2 | Very low | 182 Ų | 182 | 159.5 Ų | 159.5 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | cis | -135.3 | -160.8 | 24.1 | -69.9 | -171.8 | 127.5 | 0 | 0 | 114.7 | ||||
| 1030 | E | 28.1 | Very low | 27.4 | Very low | 195 Ų | 195 | 160.4 Ų | 160.4 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | 79.4 | 139.3 | 179.3 | -60.6 | -164.8 | 166.5 | 0 | 0 | 118.9 | ||||
| 1031 | D | 27.8 | Very low | 27.5 | Very low | 167 Ų | 167 | 161.7 Ų | 161.7 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | cis | -163.5 | 178 | -36.1 | -169.2 | 15.5 | 0 | 0 | 0 | 107.6 | ||||
| 1032 | G | 26.8 | Very low | 27.8 | Very low | 52 Ų | 52 | 154.2 Ų | 154.2 | 54% | 0.536 | 79% | 0.787 | S | S | . | * | trans | 118.7 | 29.7 | 142.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1033 | S | 27.7 | Very low | 28.1 | Very low | 101 Ų | 101 | 152.4 Ų | 152.4 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | 49 | 150.6 | 132.2 | 79.4 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1034 | L | 28.3 | Very low | 28.4 | Very low | 138 Ų | 138 | 147 Ų | 147 | 72% | 0.723 | 78% | 0.781 | S | S | * | * | trans | 93.4 | 115.5 | 149.8 | -63.4 | 161.2 | 0 | 0 | 0 | 122.1 | ||||
| 1035 | M | 29.1 | Very low | 28.8 | Very low | 166 Ų | 166 | 145 Ų | 145 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 66.2 | 155.1 | 132 | -69.5 | 179 | 171.5 | 0 | 0 | 121.3 | ||||
| 1036 | D | 29.2 | Very low | 29.3 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | cis | -168.8 | 159.2 | -32.1 | -156.8 | -7.6 | 0 | 0 | 0 | 108 | ||||
| 1037 | E | 29.5 | Very low | 29.7 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 77% | 0.771 | 75% | 0.746 | S | S | * | * | trans | 58.2 | 161.9 | 169.3 | -58.5 | -162.4 | 136.9 | 0 | 0 | 117.2 | ||||
| 1038 | T | 28.3 | Very low | 29.9 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | cis | -160.4 | -175.6 | -31.7 | 34 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1039 | E | 29.2 | Very low | 30.2 | Very low | 167 Ų | 167 | 133 Ų | 133 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | trans | 84.5 | 92.5 | 155.5 | -58 | -149.6 | 131.1 | 0 | 0 | 121.6 | ||||
| 1040 | T | 30.1 | Very low | 30.6 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | 63.3 | 119.3 | 119.2 | 69 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1041 | D | 27.3 | Very low | 30.8 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 85% | 0.85 | 71% | 0.714 | S | S | * | * | 105.8 | 146.8 | 119.7 | -121.8 | -15.4 | 0 | 0 | 0 | 123.5 | |||||
| 1042 | A | 30.8 | Very low | 31.1 | Very low | 64 Ų | 64 | 126.1 Ų | 126.1 | 53% | 0.529 | 71% | 0.706 | S | S | . | * | trans | 67.7 | 89.6 | 138.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1043 | T | 31.5 | Very low | 31.3 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 77% | 0.767 | 71% | 0.713 | S | S | * | * | 63.4 | 127.5 | 117.8 | 59.1 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1044 | V | 34 | Very low | 31.4 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | 76.5 | 151 | 128.1 | 162.6 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1045 | K | 33.4 | Very low | 31.5 | Very low | 148 Ų | 148 | 132 Ų | 132 | 64% | 0.643 | 72% | 0.715 | S | S | * | * | cis | 169.1 | 167.6 | -27.7 | -148.6 | 175.5 | 149.3 | -75.1 | 0 | 105.8 | ||||
| 1046 | D | 34.5 | Very low | 31.8 | Very low | 102 Ų | 102 | 130 Ų | 130 | 55% | 0.545 | 71% | 0.712 | S | S | . | * | trans | 66 | 160.1 | 156.7 | -56.3 | -30.2 | 0 | 0 | 0 | 116.9 | ||||
| 1047 | E | 35.6 | Very low | 33.1 | Very low | 157 Ų | 157 | 128.8 Ų | 128.8 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | cis | -161.9 | -168.7 | -16.4 | -111.2 | 174.2 | -164.3 | 0 | 0 | 107.1 | ||||
| 1048 | T | 32.3 | Very low | 33.2 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | cis | -154.5 | 146 | 10.6 | -16.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1049 | T | 33.6 | Very low | 33.3 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 66% | 0.656 | 71% | 0.709 | S | S | * | * | trans | 19.7 | 145 | 145.2 | 56.4 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 1050 | E | 34.9 | Very low | 33.4 | Very low | 166 Ų | 166 | 128.2 Ų | 128.2 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | 79.3 | 165.5 | 139.2 | -79.7 | 173.5 | -122.6 | 0 | 0 | 120.6 | ||||
| 1051 | T | 33.1 | Very low | 33.2 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 72% | 0.718 | 71% | 0.71 | S | S | * | * | cis | -140 | -149.9 | 15.9 | -25.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1052 | T | 33.7 | Very low | 34.3 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 72% | 0.718 | 71% | 0.706 | S | S | * | * | trans | -94.3 | -177.5 | -172.1 | 53.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1053 | D | 32.1 | Very low | 34.3 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | cis | -175.4 | 175.5 | 25.9 | -140.6 | -25.1 | 0 | 0 | 0 | 116.3 | ||||
| 1054 | L | 30 | Very low | 34.2 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | trans | 77.3 | 102.8 | 148.1 | -65.8 | 164.3 | 0 | 0 | 0 | 127.1 | ||||
| 1055 | I | 30.5 | Very low | 34.1 | Very low | 154 Ų | 154 | 124.4 Ų | 124.4 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | 89.6 | 143 | 116.7 | -78 | -176.3 | 0 | 0 | 0 | 126.6 | |||||
| 1056 | T | 34.1 | Very low | 34 | Very low | 123 Ų | 123 | 123.8 Ų | 123.8 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | trans | -89.7 | -161.5 | -174.2 | 4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1057 | P | 55.8 | Low | 33.8 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | cis | -136 | -168.3 | 19.2 | 46.2 | -26 | 0 | 0 | 0 | 115.1 | ||||
| 1058 | T | 32.8 | Very low | 33.6 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 69% | 0.693 | 74% | 0.735 | S | S | * | * | cis | -144.2 | -151.9 | -0.7 | -14.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1059 | D | 30.7 | Very low | 33.8 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | cis | -161.5 | 165.5 | -3.7 | -109.2 | -44.4 | 0 | 0 | 0 | 105.1 | ||||
| 1060 | E | 29.8 | Very low | 33.8 | Very low | 187 Ų | 187 | 135.3 Ų | 135.3 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | cis | -145.1 | -142.3 | 2.9 | -147.5 | -169.7 | 131.6 | 0 | 0 | 109.1 | ||||
| 1061 | G | 27 | Very low | 33.8 | Very low | 62 Ų | 62 | 133.6 Ų | 133.6 | 64% | 0.639 | 77% | 0.768 | S | S | * | * | trans | -141.5 | -155.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1062 | P | 50.4 | Low | 33.8 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | cis | -139.4 | -170.9 | 1.9 | 44.3 | -25.6 | 0 | 0 | 0 | 116.5 | ||||
| 1063 | D | 31.3 | Very low | 33.8 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | -7.9 | 158.5 | 158 | -43.5 | -34 | 0 | 0 | 0 | 121.6 | ||||
| 1064 | G | 29.1 | Very low | 33.9 | Very low | 71 Ų | 71 | 136 Ų | 136 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | cis | 157.9 | 162.9 | -3.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1065 | A | 31.7 | Very low | 34.2 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 62.7 | 136.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1066 | D | 31.5 | Very low | 34.4 | Very low | 135 Ų | 135 | 135 Ų | 135 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | 76.1 | 132.9 | 134.7 | -87.4 | 31.1 | 0 | 0 | 0 | 127.4 | ||||
| 1067 | Q | 29.9 | Very low | 34.5 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | trans | 80.8 | 128.1 | 139.2 | -71.8 | 172.4 | 56.6 | 0 | 0 | 124 | ||||
| 1068 | Q | 31.8 | Very low | 32.7 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | 68.1 | 150.7 | 151.8 | -64.9 | 161.2 | 29 | 0 | 0 | 117.4 | ||||
| 1069 | E | 36.3 | Very low | 32.7 | Very low | 265 Ų | 265 | 140.5 Ų | 140.5 | 100% | 1.238 | 80% | 0.803 | S | S | * | * | cis | -110.7 | 0 | 3.7 | -66.7 | 179.4 | 113.5 | 0 | 0 | 113.5 |
Retrieved 1,069 of 1,069 residues in 463.2 ms
(Link to these results)