| 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 | 33.9 | Very low | 37.1 | Very low | 248 Ų | 248 | 146.3 Ų | 146.3 | 100% | 1.222 | 79% | 0.787 | S | S | * | * | 0 | 91.8 | 0 | -79.8 | 177.9 | 159.2 | 0 | 0 | 107.7 | |||||
| 2 | A | 30.9 | Very low | 37.7 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -80.9 | 123.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | L4 | A2-L4 PolarHBondContact O-N 2.93Š| ||
| 3 | T | 30.2 | Very low | 37.9 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | -70.1 | 113.1 | 176.5 | 42.6 | 0 | 0 | 0 | 0 | 109.5 | E5 | T3-E5 PolarHBondContact O-N 3.48Å; T3-E5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | L | 35.1 | Very low | 37.6 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -64.8 | 103.8 | 167.1 | -74.9 | 159.2 | 0 | 0 | 0 | 108.5 | A2 G6 | A2-L4 PolarHBondContact O-N 2.93Å; L4-G6 PolarHBondContact O-N 2.9Å | ||
| 5 | E | 35.8 | Very low | 37.8 | Very low | 193 Ų | 193 | 144.7 Ų | 144.7 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -64.9 | 101 | 164.3 | -78.4 | -169.3 | 141.9 | 0 | 0 | 108.6 | T3 C7 | T3-E5 PolarHBondContact O-N 3.48Å; T3-E5 VanDerWaalsContact O-N 3.14Å; E5-C7 PolarHBondContact O-N 3.01Å | ||
| 6 | G | 35.6 | Very low | 37.7 | Very low | 64 Ų | 64 | 145.1 Ų | 145.1 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | trans | -63.8 | 120.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L4 R8 | L4-G6 PolarHBondContact O-N 2.9Å; G6-R8 PolarHBondContact O-N 3.5Å | ||
| 7 | C | 38.3 | Very low | 37.6 | Very low | 75 Ų | 75 | 146.8 Ų | 146.8 | 51% | 0.507 | 80% | 0.795 | S | S | . | * | trans | -49.8 | 109.6 | 163.7 | -109 | 0 | 0 | 0 | 0 | 109.5 | E5 C9 | E5-C7 PolarHBondContact O-N 3.01Å; C7-C9 PolarHBondContact O-N 3.3Å | ||
| 8 | R | 43.6 | Very low | 37.9 | Very low | 245 Ų | 245 | 143 Ų | 143 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -75.4 | 49.6 | 169.9 | -73.3 | -172.8 | -176.4 | -169 | 2.6 | 110.9 | G6 R10 | G6-R8 PolarHBondContact O-N 3.5Å; R8-R10 VanDerWaalsContact C-N 3.3Å; R8-R10 PolarHBondContact O-N 2.98Å | ||
| 9 | C | 43.8 | Very low | 38.8 | Very low | 43 Ų | 43 | 138.6 Ų | 138.6 | 29% | 0.291 | 76% | 0.763 | S | S | . | * | trans | -75.1 | 94.9 | 162.6 | -27.9 | 0 | 0 | 0 | 0 | 104.3 | C7 S11 C232 | C7-C9 PolarHBondContact O-N 3.3Å; C9-S11 PolarHBondContact O-N 2.86Å; C9-S11 VanDerWaalsContact O-N 3.11Å; C9-C232 HydrophobicContact CB-CB 4.32Å; C9-C232 WeakPolarHBondContact CB-SG 3.27Å; C9-C232 WeakPolarHBondContact SG-CB 3.39Å; C9-C232 CovalentContact SG-SG 2.08Å; C9-C232 PolarHBondContact SG-SG 3.32Å | ||
| 10 | R | 41.8 | Very low | 39.9 | Very low | 230 Ų | 230 | 133.6 Ų | 133.6 | 87% | 0.868 | 73% | 0.734 | S | S | * | * | trans | -43.3 | 121.9 | -179 | -91.1 | -179.8 | 172.9 | -178.1 | -1.9 | 109 | R8 A12 | R8-R10 VanDerWaalsContact C-N 3.3Å; R8-R10 PolarHBondContact O-N 2.98Å; R10-A12 PolarHBondContact O-N 3.45Å; R10-A12 VanDerWaalsContact O-N 3.1Å | ||
| 11 | S | 39.5 | Very low | 40.8 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | trans | -49.2 | 119.7 | 169.9 | 38 | 0 | 0 | 0 | 0 | 108.6 | C9 S13 | C9-S11 PolarHBondContact O-N 2.86Å; C9-S11 VanDerWaalsContact O-N 3.11Å; S11-S13 PolarHBondContact O-N 3.43Å | ||
| 12 | A | 43.8 | Very low | 42 | Very low | 82 Ų | 82 | 123.2 Ų | 123.2 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -70.8 | 58.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R10 | R10-A12 PolarHBondContact O-N 3.45Å; R10-A12 VanDerWaalsContact O-N 3.1Å |
| 13 | S | 41 | Very low | 43.2 | Very low | 105 Ų | 105 | 119.4 Ų | 119.4 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | trans | -134.9 | 53.8 | 175.3 | -163.9 | 0 | 0 | 0 | 0 | 109.7 | S11 | S11-S13 PolarHBondContact O-N 3.43Š| ||
| 14 | T | 33.6 | Very low | 44.8 | Very low | 130 Ų | 130 | 113.1 Ų | 113.1 | 80% | 0.798 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -139.9 | 113.5 | 161.7 | 7 | 0 | 0 | 0 | 0 | 108.5 | N16 | T14-N16 PolarHBondContact O-N 2.77Š|
| 15 | R | 40.3 | Very low | 46.1 | Very low | 245 Ų | 245 | 106.3 Ų | 106.3 | 93% | 0.925 | 57% | 0.566 | S | S | * | * | trans | -43.1 | 104.4 | 171.9 | -70.5 | 168.9 | 173.9 | 166.8 | -3.3 | 110.3 | ||||
| 16 | N | 36.3 | Very low | 47.4 | Very low | 150 Ų | 150 | 102.1 Ų | 102.1 | 80% | 0.802 | 55% | 0.545 | S | S | * | . | trans | -141.8 | 113 | 152.3 | -120.2 | 1.7 | 0 | 0 | 0 | 107.4 | T14 S18 | T14-N16 PolarHBondContact O-N 2.77Å; N16-S18 PolarHBondContact O-N 3.1Å | ||
| 17 | N | 36.4 | Very low | 48.5 | Very low | 174 Ų | 174 | 99.3 Ų | 99.3 | 93% | 0.93 | 52% | 0.515 | S | S | * | . | trans | -73.4 | 65.4 | -171.9 | -73.7 | -22.9 | 0 | 0 | 0 | 112.1 | ||||
| 18 | S | 42.3 | Very low | 49.5 | Very low | 79 Ų | 79 | 96.1 Ų | 96.1 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | trans | -130.1 | 79.7 | 159.3 | 63.6 | 0 | 0 | 0 | 0 | 107.3 | N16 I20 | N16-S18 PolarHBondContact O-N 3.1Å; S18-I20 PolarHBondContact O-N 3.22Å | ||
| 19 | S | 55.9 | Low | 50.2 | Low | 60 Ų | 60 | 87.6 Ų | 87.6 | 42% | 0.42 | 47% | 0.471 | S | S | . | . | trans | -44.8 | 133.5 | -178.1 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | L21 Y22 S23 | S19-L21 PolarHBondContact O-N 2.81Å; S19-L21 WeakPolarHBondContact OG-CB 3.38Å; S19-L21 WeakPolarHBondContact OG-CD1 3.15Å; S19-L21 VanDerWaalsContact OG-CG 3.28Å; S19-L21 WeakPolarHBondContact OG-CG 3.46Å; S19-L21 PolarHBondContact OG-N 3.12Å; S19-Y22 WeakPolarHBondContact O-CA 3.25Å; S19-Y22 WeakPolarHBondContact O-CB 3.31Å; S19-Y22 PolarHBondContact O-N 2.97Å; S19-S23 PolarHBondContact O-N 3.45Å | ||
| 20 | I | 60.9 | Low | 50.5 | Low | 37 Ų | 37 | 89.1 Ų | 89.1 | 19% | 0.19 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -44.9 | -30 | 172.9 | -78.8 | 152.9 | 0 | 0 | 0 | 111.5 | S18 S23 I24 C121 L239 E242 | S18-I20 PolarHBondContact O-N 3.22Å; I20-S23 WeakPolarHBondContact O-CB 3.26Å; I20-S23 PolarHBondContact O-N 2.89Å; I20-S23 VanDerWaalsContact O-N 3.13Å; I20-I24 HydrophobicContact CG2-CD1 4.17Å; I20-I24 PolarHBondContact O-N 2.75Å; I20-C121 HydrophobicContact CG1-CB 4.32Å; I20-C121 HydrophobicContact CG2-CB 4.48Å; I20-L239 HydrophobicContact CD1-CD2 3.6Å; I20-L239 HydrophobicContact CG1-CD2 4.3Å; I20-L239 HydrophobicContact CG2-CD2 4.09Å; I20-E242 WeakPolarHBondContact CB-OE2 3.42Å; I20-E242 WeakPolarHBondContact CD1-OE2 3.34Å |
| 21 | L | 58.3 | Low | 51 | Low | 25 Ų | 25 | 79.4 Ų | 79.4 | 13% | 0.131 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 174.8 | -52.5 | 172.6 | 0 | 0 | 0 | 114.4 | S19 S23 I24 L25 Y216 A246 | S19-L21 PolarHBondContact O-N 2.81Å; S19-L21 WeakPolarHBondContact OG-CB 3.38Å; S19-L21 WeakPolarHBondContact OG-CD1 3.15Å; S19-L21 VanDerWaalsContact OG-CG 3.28Å; S19-L21 WeakPolarHBondContact OG-CG 3.46Å; S19-L21 PolarHBondContact OG-N 3.12Å; L21-S23 PolarHBondContact O-N 3.37Å; L21-I24 PolarHBondContact O-N 3.34Å; L21-L25 VanDerWaalsContact O-CB 3.31Å; L21-L25 WeakPolarHBondContact O-CB 3.24Å; L21-L25 VanDerWaalsContact O-CG 3.25Å; L21-L25 WeakPolarHBondContact O-CG 3.2Å; L21-L25 PolarHBondContact O-N 3.4Å; L21-Y216 HydrophobicContact CB-CE1 4.21Å; L21-Y216 HydrophobicContact CD2-CD1 4.09Å; L21-Y216 HydrophobicContact CD2-CE1 3.91Å; L21-Y216 HydrophobicContact CG-CE1 4.47Å; L21-A246 HydrophobicContact CD1-CB 3.24Å; L21-A246 HydrophobicContact CD2-CB 3.25Å; L21-A246 HydrophobicContact CG-CB 3.79Å |
| 22 | Y | 58.3 | Low | 51.4 | Low | 139 Ų | 139 | 79.5 Ų | 79.5 | 55% | 0.545 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.8 | -34.7 | 170.3 | 178.4 | -103.3 | 0 | 0 | 0 | 110.2 | S19 K26 | S19-Y22 WeakPolarHBondContact O-CA 3.25Å; S19-Y22 WeakPolarHBondContact O-CB 3.31Å; S19-Y22 PolarHBondContact O-N 2.97Å; Y22-K26 HydrophobicContact CE1-CD 3.91Å; Y22-K26 WeakPolarHBondContact O-CB 3.46Å; Y22-K26 PolarHBondContact O-N 2.87Å |
| 23 | S | 57 | Low | 51.1 | Low | 23 Ų | 23 | 79.1 Ų | 79.1 | 16% | 0.161 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -75.3 | -37.3 | 179.6 | -51.3 | 0 | 0 | 0 | 0 | 113.1 | S19 I20 L21 S27 | S19-S23 PolarHBondContact O-N 3.45Å; I20-S23 WeakPolarHBondContact O-CB 3.26Å; I20-S23 PolarHBondContact O-N 2.89Å; I20-S23 VanDerWaalsContact O-N 3.13Å; L21-S23 PolarHBondContact O-N 3.37Å; S23-S27 WeakPolarHBondContact O-CB 3.14Å; S23-S27 PolarHBondContact O-N 2.97Å; S23-S27 PolarHBondContact O-OG 2.74Å |
| 24 | I | 63 | Low | 50.9 | Low | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.005 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 171.9 | -68.9 | 172 | 0 | 0 | 0 | 110.3 | I20 L21 S27 D28 F115 V119 A215 F223 | I20-I24 HydrophobicContact CG2-CD1 4.17Å; I20-I24 PolarHBondContact O-N 2.75Å; L21-I24 PolarHBondContact O-N 3.34Å; I24-S27 PolarHBondContact O-N 3.38Å; I24-D28 PolarHBondContact O-N 2.69Å; I24-F115 HydrophobicContact CG2-CE2 3.88Å; I24-F115 HydrophobicContact CG2-CZ 3.98Å; I24-V119 HydrophobicContact CG1-CG1 4.29Å; I24-V119 HydrophobicContact CG1-CG2 4.33Å; I24-A215 HydrophobicContact CG2-CB 4.05Å; I24-A215 WeakPolarHBondContact CG2-O 3.48Å; I24-F223 HydrophobicContact CD1-CE2 4.4Å |
| 25 | L | 62.6 | Low | 51.1 | Low | 33 Ų | 33 | 77.3 Ų | 77.3 | 17% | 0.173 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 178.8 | -71 | 175.6 | 0 | 0 | 0 | 112.8 | L21 S27 D28 S29 K212 A215 Y216 | L21-L25 VanDerWaalsContact O-CB 3.31Å; L21-L25 WeakPolarHBondContact O-CB 3.24Å; L21-L25 VanDerWaalsContact O-CG 3.25Å; L21-L25 WeakPolarHBondContact O-CG 3.2Å; L21-L25 PolarHBondContact O-N 3.4Å; L25-S27 VanDerWaalsContact C-N 3.33Å; L25-D28 PolarHBondContact O-N 2.9Å; L25-S29 WeakPolarHBondContact O-CB 3.2Å; L25-S29 PolarHBondContact O-N 3.19Å; L25-S29 PolarHBondContact O-OG 3.43Å; L25-K212 HydrophobicContact CD2-CB 4.1Å; L25-K212 HydrophobicContact CD2-CD 4.49Å; L25-K212 HydrophobicContact CD2-CG 3.86Å; L25-A215 HydrophobicContact CD2-CB 3.99Å; L25-Y216 HydrophobicContact CD1-CE1 4.48Å; L25-Y216 HydrophobicContact CD2-CE1 4.47Å; L25-Y216 HydrophobicContact CG-CE1 4.39Å |
| 26 | K | 62.4 | Low | 51 | Low | 105 Ų | 105 | 70.7 Ų | 70.7 | 46% | 0.457 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 174.7 | -175.4 | 174.2 | -177.9 | 179.9 | 0 | 110.9 | Y22 S29 L30 | Y22-K26 HydrophobicContact CE1-CD 3.91Å; Y22-K26 WeakPolarHBondContact O-CB 3.46Å; Y22-K26 PolarHBondContact O-N 2.87Å; K26-S29 PolarHBondContact O-N 2.86Å; K26-L30 HydrophobicContact CG-CD1 3.98Å; K26-L30 HydrophobicContact CG-CG 4.35Å; K26-L30 WeakPolarHBondContact O-CB 3.45Å; K26-L30 WeakPolarHBondContact O-CG 3.28Å; K26-L30 PolarHBondContact O-N 2.82Å |
| 27 | S | 59.8 | Low | 51.1 | Low | 5 Ų | 5 | 72.3 Ų | 72.3 | 4% | 0.035 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 176 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | S23 I24 L25 L30 V31 N118 | S23-S27 WeakPolarHBondContact O-CB 3.14Å; S23-S27 PolarHBondContact O-N 2.97Å; S23-S27 PolarHBondContact O-OG 2.74Å; I24-S27 PolarHBondContact O-N 3.38Å; L25-S27 VanDerWaalsContact C-N 3.33Å; S27-L30 PolarHBondContact O-N 3.12Å; S27-V31 WeakPolarHBondContact O-CG2 3.45Å; S27-V31 PolarHBondContact O-N 2.89Å; S27-N118 VanDerWaalsContact OG-C 3.32Å; S27-N118 PolarHBondContact OG-O 2.83Å |
| 28 | D | 58.3 | Low | 51.4 | Low | 8 Ų | 8 | 68.3 Ų | 68.3 | 4% | 0.043 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -70.7 | -33.4 | 178.4 | -152.5 | 63.7 | 0 | 0 | 0 | 112.3 | I24 L25 V31 T32 F115 Q148 T211 A215 K218 | I24-D28 PolarHBondContact O-N 2.69Å; L25-D28 PolarHBondContact O-N 2.9Å; D28-V31 PolarHBondContact O-N 3.13Å; D28-T32 PolarHBondContact O-N 2.83Å; D28-T32 PolarHBondContact O-OG1 3.46Å; D28-F115 HydrophobicContact CB-CD2 4.33Å; D28-Q148 PolarHBondContact OD2-NE2 3.11Å; D28-T211 WeakPolarHBondContact OD2-CG2 3.42Å; D28-A215 HydrophobicContact CB-CB 4.2Å; D28-K218 IonicContact OD1-NZ 2.71Å; D28-K218 PolarHBondContact OD1-NZ 3.27Å |
| 29 | S | 58 | Low | 51.5 | Low | 66 Ų | 66 | 69.8 Ų | 69.8 | 46% | 0.462 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.5 | -37.3 | 174.7 | -54.7 | 0 | 0 | 0 | 0 | 112.4 | L25 K26 V31 T32 A33 | L25-S29 WeakPolarHBondContact O-CB 3.2Å; L25-S29 PolarHBondContact O-N 3.19Å; L25-S29 PolarHBondContact O-OG 3.43Å; K26-S29 PolarHBondContact O-N 2.86Å; S29-V31 VanDerWaalsContact C-N 3.3Å; S29-V31 PolarHBondContact O-N 2.74Å; S29-T32 WeakPolarHBondContact CA-OG1 3.08Å; S29-T32 PolarHBondContact O-N 2.96Å; S29-T32 VanDerWaalsContact O-N 3.12Å; S29-T32 PolarHBondContact O-OG1 3.37Å; S29-A33 VanDerWaalsContact O-CB 3.28Å; S29-A33 WeakPolarHBondContact O-CB 3.49Å; S29-A33 PolarHBondContact O-N 2.87Å |
| 30 | L | 50.6 | Low | 51 | Low | 75 Ų | 75 | 74.7 Ų | 74.7 | 39% | 0.393 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.8 | -35.4 | 173.2 | -73.6 | 167.3 | 0 | 0 | 0 | 111.2 | K26 S27 T32 A33 E34 | K26-L30 HydrophobicContact CG-CD1 3.98Å; K26-L30 HydrophobicContact CG-CG 4.35Å; K26-L30 WeakPolarHBondContact O-CB 3.45Å; K26-L30 WeakPolarHBondContact O-CG 3.28Å; K26-L30 PolarHBondContact O-N 2.82Å; S27-L30 PolarHBondContact O-N 3.12Å; L30-T32 PolarHBondContact O-N 3.41Å; L30-A33 PolarHBondContact O-N 2.96Å; L30-E34 WeakPolarHBondContact O-CG 3Å |
| 31 | V | 53.3 | Low | 50.4 | Low | 25 Ų | 25 | 78.4 Ų | 78.4 | 15% | 0.152 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.4 | -27.2 | 172.9 | 178.5 | 0 | 0 | 0 | 0 | 112.7 | S27 D28 S29 K111 R114 | S27-V31 WeakPolarHBondContact O-CG2 3.45Å; S27-V31 PolarHBondContact O-N 2.89Å; D28-V31 PolarHBondContact O-N 3.13Å; S29-V31 VanDerWaalsContact C-N 3.3Å; S29-V31 PolarHBondContact O-N 2.74Å; V31-K111 HydrophobicContact CG1-CB 4.03Å; V31-K111 HydrophobicContact CG1-CD 4.23Å; V31-K111 HydrophobicContact CG1-CG 3.88Å; V31-R114 HydrophobicContact CG2-CG 4.25Å |
| 32 | T | 46.9 | Very low | 49.9 | Very low | 103 Ų | 103 | 80.2 Ų | 80.2 | 63% | 0.632 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -96.1 | -12.8 | -178.2 | 46.6 | 0 | 0 | 0 | 0 | 114.5 | D28 S29 L30 | D28-T32 PolarHBondContact O-N 2.83Å; D28-T32 PolarHBondContact O-OG1 3.46Å; S29-T32 WeakPolarHBondContact CA-OG1 3.08Å; S29-T32 PolarHBondContact O-N 2.96Å; S29-T32 VanDerWaalsContact O-N 3.12Å; S29-T32 PolarHBondContact O-OG1 3.37Å; L30-T32 PolarHBondContact O-N 3.41Å |
| 33 | A | 37.7 | Very low | 49.4 | Very low | 74 Ų | 74 | 78.9 Ų | 78.9 | 61% | 0.612 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -122.1 | 15.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | S29 L30 E35 | S29-A33 VanDerWaalsContact O-CB 3.28Å; S29-A33 WeakPolarHBondContact O-CB 3.49Å; S29-A33 PolarHBondContact O-N 2.87Å; L30-A33 PolarHBondContact O-N 2.96Å; A33-E35 PolarHBondContact O-N 3.37Å |
| 34 | E | 37.7 | Very low | 49.1 | Very low | 35 Ų | 35 | 80.6 Ų | 80.6 | 16% | 0.164 | 42% | 0.423 | C | S | . | . | trans | -65.1 | 121.7 | -169 | -61.8 | -159.9 | 153 | 0 | 0 | 115.7 | L30 Q38 | L30-E34 WeakPolarHBondContact O-CG 3Å; E34-Q38 HydrophobicContact CB-CB 4.48Å; E34-Q38 VanDerWaalsContact CG-OE1 3.3Å; E34-Q38 PolarHBondContact OE1-NE2 3.21Å; E34-Q38 PolarHBondContact OE1-OE1 2.91Å; E34-Q38 WeakPolarHBondContact OE2-CB 3.17Å | ||
| 35 | E | 37.3 | Very low | 48.6 | Very low | 161 Ų | 161 | 83 Ų | 83 | 75% | 0.752 | 43% | 0.434 | S | S | * | . | trans | -57.8 | 164.7 | 159.3 | -102.2 | -167.2 | 103.7 | 0 | 0 | 113.7 | A33 Q37 | A33-E35 PolarHBondContact O-N 3.37Å; E35-Q37 VanDerWaalsContact C-N 3.34Å; E35-Q37 PolarHBondContact O-N 2.97Å; E35-Q37 VanDerWaalsContact O-N 3.1Å | ||
| 36 | P | 36.8 | Very low | 48.4 | Very low | 106 Ų | 106 | 84 Ų | 84 | 69% | 0.688 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11.8 | -162.2 | 22.1 | -31.3 | 0 | 0 | 0 | 117.5 | ||
| 37 | Q | 38.4 | Very low | 48.1 | Very low | 184 Ų | 184 | 83.5 Ų | 83.5 | 86% | 0.86 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -22.5 | -176.9 | -76.1 | -178.1 | -23.3 | 0 | 0 | 114.7 | E35 | E35-Q37 VanDerWaalsContact C-N 3.34Å; E35-Q37 PolarHBondContact O-N 2.97Å; E35-Q37 VanDerWaalsContact O-N 3.1Å |
| 38 | Q | 42.9 | Very low | 48.1 | Very low | 91 Ų | 91 | 86 Ų | 86 | 43% | 0.425 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -11 | 178.9 | -68.1 | 174.7 | -70.1 | 0 | 0 | 113.5 | E34 Q40 Q41 Q42 | E34-Q38 HydrophobicContact CB-CB 4.48Å; E34-Q38 VanDerWaalsContact CG-OE1 3.3Å; E34-Q38 PolarHBondContact OE1-NE2 3.21Å; E34-Q38 PolarHBondContact OE1-OE1 2.91Å; E34-Q38 WeakPolarHBondContact OE2-CB 3.17Å; Q38-Q40 PolarHBondContact O-N 3.07Å; Q38-Q41 PolarHBondContact O-N 3.29Å; Q38-Q42 WeakPolarHBondContact O-CB 3.29Å; Q38-Q42 PolarHBondContact O-N 2.81Å; Q38-Q42 VanDerWaalsContact O-N 3.12Å |
| 39 | H | 46.1 | Very low | 48.2 | Very low | 109 Ų | 109 | 86 Ų | 86 | 51% | 0.505 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.1 | -30 | 174.8 | -88.4 | 71.6 | 0 | 0 | 0 | 112.7 | H43 | H39-H43 WeakPolarHBondContact O-CB 3.3Å; H39-H43 PolarHBondContact O-N 2.78Å |
| 40 | Q | 44.2 | Very low | 48.2 | Very low | 164 Ų | 164 | 86.9 Ų | 86.9 | 77% | 0.766 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -68.2 | -43.2 | -179 | -157.2 | 98.3 | 25.2 | 0 | 0 | 112.3 | Q38 H43 S44 | Q38-Q40 PolarHBondContact O-N 3.07Å; Q40-H43 PolarHBondContact O-N 2.93Å; Q40-S44 WeakPolarHBondContact O-CB 3.23Å; Q40-S44 PolarHBondContact O-N 3.48Å |
| 41 | Q | 47.9 | Very low | 48.6 | Very low | 114 Ų | 114 | 87.9 Ų | 87.9 | 53% | 0.533 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -78.3 | -31 | 179.3 | -165.8 | 146.9 | 14.6 | 0 | 0 | 111.7 | Q38 S44 Q45 K305 | Q38-Q41 PolarHBondContact O-N 3.29Å; Q41-S44 PolarHBondContact O-N 3.08Å; Q41-Q45 WeakPolarHBondContact O-CG 3Å; Q41-Q45 PolarHBondContact O-N 3.19Å; Q41-K305 PolarHBondContact NE2-OXT 2.9Å |
| 42 | Q | 47.8 | Very low | 48.8 | Very low | 64 Ų | 64 | 89.5 Ų | 89.5 | 30% | 0.299 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 170 | -171.3 | 167.8 | 22.5 | 0 | 0 | 111.9 | Q38 H46 | Q38-Q42 WeakPolarHBondContact O-CB 3.29Å; Q38-Q42 PolarHBondContact O-N 2.81Å; Q38-Q42 VanDerWaalsContact O-N 3.12Å; Q42-H46 WeakPolarHBondContact O-CB 3.49Å; Q42-H46 PolarHBondContact O-N 3.45Å |
| 43 | H | 47.7 | Very low | 49.1 | Very low | 111 Ų | 111 | 86.6 Ų | 86.6 | 51% | 0.514 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 172.7 | -159.3 | 63.1 | 0 | 0 | 0 | 110.8 | H39 Q40 H46 Q47 | H39-H43 WeakPolarHBondContact O-CB 3.3Å; H39-H43 PolarHBondContact O-N 2.78Å; Q40-H43 PolarHBondContact O-N 2.93Å; H43-H46 PolarHBondContact O-N 3.41Å; H43-Q47 PolarHBondContact CD2-NE2 3.22Å; H43-Q47 PolarHBondContact NE2-NE2 2.87Å; H43-Q47 WeakPolarHBondContact O-CB 3.39Å; H43-Q47 WeakPolarHBondContact O-CG 3.03Å; H43-Q47 PolarHBondContact O-N 3.44Å |
| 44 | S | 50.7 | Low | 49.5 | Very low | 59 Ų | 59 | 89.6 Ų | 89.6 | 41% | 0.413 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.6 | -49.8 | 175.8 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | Q40 Q41 H46 Q47 T48 | Q40-S44 WeakPolarHBondContact O-CB 3.23Å; Q40-S44 PolarHBondContact O-N 3.48Å; Q41-S44 PolarHBondContact O-N 3.08Å; S44-H46 PolarHBondContact O-N 2.83Å; S44-Q47 CarbonylContact O-C 3.49Å; S44-Q47 WeakPolarHBondContact O-CB 3.32Å; S44-Q47 PolarHBondContact O-N 3.45Å; S44-T48 PolarHBondContact O-N 3.09Å; S44-T48 PolarHBondContact O-OG1 3.23Å |
| 45 | Q | 53.7 | Low | 49.7 | Very low | 50 Ų | 50 | 94.1 Ų | 94.1 | 23% | 0.234 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -67.4 | -36.1 | 177.9 | -70.7 | -179.1 | -12 | 0 | 0 | 112.9 | Q41 Q47 T48 L49 | Q41-Q45 WeakPolarHBondContact O-CG 3Å; Q41-Q45 PolarHBondContact O-N 3.19Å; Q45-Q47 VanDerWaalsContact C-N 3.33Å; Q45-T48 PolarHBondContact O-N 2.83Å; Q45-L49 PolarHBondContact O-N 3.39Å |
| 46 | H | 57.1 | Low | 49.9 | Very low | 55 Ų | 55 | 89.9 Ų | 89.9 | 26% | 0.255 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.3 | -38 | 173.1 | -167.7 | 64.7 | 0 | 0 | 0 | 111.2 | Q42 H43 S44 Q50 | Q42-H46 WeakPolarHBondContact O-CB 3.49Å; Q42-H46 PolarHBondContact O-N 3.45Å; H43-H46 PolarHBondContact O-N 3.41Å; S44-H46 PolarHBondContact O-N 2.83Å; H46-Q50 PolarHBondContact CD2-NE2 3.26Å; H46-Q50 PolarHBondContact NE2-NE2 3.33Å; H46-Q50 WeakPolarHBondContact O-CB 3.48Å; H46-Q50 VanDerWaalsContact O-CG 3.28Å; H46-Q50 WeakPolarHBondContact O-CG 3.39Å; H46-Q50 PolarHBondContact O-N 2.86Å |
| 47 | Q | 56.8 | Low | 50 | Low | 94 Ų | 94 | 90.3 Ų | 90.3 | 44% | 0.439 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68 | -38.4 | 172.5 | -77.8 | 178.5 | -9.3 | 0 | 0 | 111.8 | H43 S44 Q45 Q50 H51 | H43-Q47 PolarHBondContact CD2-NE2 3.22Å; H43-Q47 PolarHBondContact NE2-NE2 2.87Å; H43-Q47 WeakPolarHBondContact O-CB 3.39Å; H43-Q47 WeakPolarHBondContact O-CG 3.03Å; H43-Q47 PolarHBondContact O-N 3.44Å; S44-Q47 CarbonylContact O-C 3.49Å; S44-Q47 WeakPolarHBondContact O-CB 3.32Å; S44-Q47 PolarHBondContact O-N 3.45Å; Q45-Q47 VanDerWaalsContact C-N 3.33Å; Q47-Q50 CarbonylContact O-C 3.56Å; Q47-Q50 PolarHBondContact O-N 2.77Å; Q47-H51 WeakPolarHBondContact O-CA 3.45Å; Q47-H51 WeakPolarHBondContact O-CB 3.18Å; Q47-H51 PolarHBondContact O-N 2.74Å |
| 48 | T | 60 | Low | 49.6 | Very low | 58 Ų | 58 | 86.6 Ų | 86.6 | 36% | 0.356 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 175.2 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | S44 Q45 H51 L52 | S44-T48 PolarHBondContact O-N 3.09Å; S44-T48 PolarHBondContact O-OG1 3.23Å; Q45-T48 PolarHBondContact O-N 2.83Å; T48-H51 PolarHBondContact O-N 3.09Å; T48-L52 HydrophobicContact CG2-CD1 3.93Å; T48-L52 HydrophobicContact CG2-CG 4.4Å; T48-L52 VanDerWaalsContact O-CB 3.3Å; T48-L52 WeakPolarHBondContact O-CB 3.07Å; T48-L52 VanDerWaalsContact O-CG 3.23Å; T48-L52 WeakPolarHBondContact O-CG 3.32Å; T48-L52 PolarHBondContact O-N 3.34Å |
| 49 | L | 60.2 | Low | 49.4 | Very low | 9 Ų | 9 | 88 Ų | 88 | 5% | 0.047 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -58.5 | -57.5 | 168.9 | -100.1 | 166.3 | 0 | 0 | 0 | 109.9 | Q45 H51 L52 L53 V110 M301 | Q45-L49 PolarHBondContact O-N 3.39Å; L49-H51 PolarHBondContact O-N 3.2Å; L49-H51 VanDerWaalsContact O-N 3.12Å; L49-L52 PolarHBondContact O-N 2.73Å; L49-L52 VanDerWaalsContact O-N 3.13Å; L49-L53 HydrophobicContact CB-CD1 4.37Å; L49-L53 HydrophobicContact CD2-CD1 4.31Å; L49-L53 HydrophobicContact CD2-CG 4.47Å; L49-L53 VanDerWaalsContact O-CB 3.29Å; L49-L53 WeakPolarHBondContact O-CB 3.47Å; L49-L53 WeakPolarHBondContact O-CD1 3.28Å; L49-L53 WeakPolarHBondContact O-CG 3.34Å; L49-L53 PolarHBondContact O-N 3.31Å; L49-V110 HydrophobicContact CD1-CG2 3.49Å; L49-V110 VanDerWaalsContact CD1-CG2 3.49Å; L49-M301 HydrophobicContact CD1-CE 3.52Å; L49-M301 HydrophobicContact CD1-SD 4.09Å; L49-M301 HydrophobicContact CD2-SD 4.33Å; L49-M301 HydrophobicContact CG-CE 4.07Å; L49-M301 HydrophobicContact CG-SD 4.07Å |
| 50 | Q | 58.8 | Low | 48.6 | Very low | 83 Ų | 83 | 87.9 Ų | 87.9 | 39% | 0.388 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -53.6 | -38.5 | 179.5 | -73.9 | -178.1 | 15.1 | 0 | 0 | 113.1 | H46 Q47 L53 L54 | H46-Q50 PolarHBondContact CD2-NE2 3.26Å; H46-Q50 PolarHBondContact NE2-NE2 3.33Å; H46-Q50 WeakPolarHBondContact O-CB 3.48Å; H46-Q50 VanDerWaalsContact O-CG 3.28Å; H46-Q50 WeakPolarHBondContact O-CG 3.39Å; H46-Q50 PolarHBondContact O-N 2.86Å; Q47-Q50 CarbonylContact O-C 3.56Å; Q47-Q50 PolarHBondContact O-N 2.77Å; Q50-L53 PolarHBondContact O-N 3.01Å; Q50-L54 VanDerWaalsContact O-CB 3.31Å; Q50-L54 WeakPolarHBondContact O-CB 3.33Å; Q50-L54 VanDerWaalsContact O-CD1 3.25Å; Q50-L54 WeakPolarHBondContact O-CD1 3.31Å; Q50-L54 WeakPolarHBondContact O-CG 3.43Å; Q50-L54 PolarHBondContact O-N 3.36Å |
| 51 | H | 59.3 | Low | 48 | Very low | 97 Ų | 97 | 85.6 Ų | 85.6 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -74.3 | -39.8 | -179.5 | -178.1 | -106.8 | 0 | 0 | 0 | 112.1 | Q47 T48 L49 L53 L54 K55 | Q47-H51 WeakPolarHBondContact O-CA 3.45Å; Q47-H51 WeakPolarHBondContact O-CB 3.18Å; Q47-H51 PolarHBondContact O-N 2.74Å; T48-H51 PolarHBondContact O-N 3.09Å; L49-H51 PolarHBondContact O-N 3.2Å; L49-H51 VanDerWaalsContact O-N 3.12Å; H51-L53 VanDerWaalsContact C-N 3.31Å; H51-L54 PolarHBondContact O-N 3.03Å; H51-K55 VanDerWaalsContact CE1-CD 3.48Å; H51-K55 WeakPolarHBondContact CE1-CD 3.32Å; H51-K55 WeakPolarHBondContact CE1-CE 3.24Å; H51-K55 PolarHBondContact CE1-NZ 3.29Å; H51-K55 WeakPolarHBondContact NE2-CE 3.49Å; H51-K55 VanDerWaalsContact O-CB 3.26Å; H51-K55 WeakPolarHBondContact O-CB 3.44Å; H51-K55 PolarHBondContact O-N 3.09Å |
| 52 | L | 56.7 | Low | 47.1 | Very low | 58 Ų | 58 | 85.8 Ų | 85.8 | 30% | 0.304 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -35.7 | 170.5 | -73.1 | 168.9 | 0 | 0 | 0 | 111.7 | T48 L49 | T48-L52 HydrophobicContact CG2-CD1 3.93Å; T48-L52 HydrophobicContact CG2-CG 4.4Å; T48-L52 VanDerWaalsContact O-CB 3.3Å; T48-L52 WeakPolarHBondContact O-CB 3.07Å; T48-L52 VanDerWaalsContact O-CG 3.23Å; T48-L52 WeakPolarHBondContact O-CG 3.32Å; T48-L52 PolarHBondContact O-N 3.34Å; L49-L52 PolarHBondContact O-N 2.73Å; L49-L52 VanDerWaalsContact O-N 3.13Å |
| 53 | L | 52.8 | Low | 46.3 | Very low | 43 Ų | 43 | 89.1 Ų | 89.1 | 23% | 0.225 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -70.6 | -29.4 | 175.3 | -63.6 | 168.5 | 0 | 0 | 0 | 112.1 | L49 Q50 H51 V288 I289 | L49-L53 HydrophobicContact CB-CD1 4.37Å; L49-L53 HydrophobicContact CD2-CD1 4.31Å; L49-L53 HydrophobicContact CD2-CG 4.47Å; L49-L53 VanDerWaalsContact O-CB 3.29Å; L49-L53 WeakPolarHBondContact O-CB 3.47Å; L49-L53 WeakPolarHBondContact O-CD1 3.28Å; L49-L53 WeakPolarHBondContact O-CG 3.34Å; L49-L53 PolarHBondContact O-N 3.31Å; Q50-L53 PolarHBondContact O-N 3.01Å; H51-L53 VanDerWaalsContact C-N 3.31Å; L53-V288 HydrophobicContact CB-CG1 3.66Å; L53-V288 HydrophobicContact CD1-CG1 3.77Å; L53-V288 HydrophobicContact CD2-CB 3.37Å; L53-V288 HydrophobicContact CD2-CG1 3.08Å; L53-V288 HydrophobicContact CG-CB 4.39Å; L53-V288 HydrophobicContact CG-CG1 3.59Å; L53-I289 HydrophobicContact CD2-CG2 3.38Å |
| 54 | L | 46.8 | Very low | 45.4 | Very low | 136 Ų | 136 | 89.2 Ų | 89.2 | 71% | 0.712 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -88 | -25.6 | 176.6 | -74.6 | 158.7 | 0 | 0 | 0 | 113.2 | Q50 H51 G56 | Q50-L54 VanDerWaalsContact O-CB 3.31Å; Q50-L54 WeakPolarHBondContact O-CB 3.33Å; Q50-L54 VanDerWaalsContact O-CD1 3.25Å; Q50-L54 WeakPolarHBondContact O-CD1 3.31Å; Q50-L54 WeakPolarHBondContact O-CG 3.43Å; Q50-L54 PolarHBondContact O-N 3.36Å; H51-L54 PolarHBondContact O-N 3.03Å; L54-G56 PolarHBondContact O-N 2.79Å |
| 55 | K | 42.8 | Very low | 44.5 | Very low | 130 Ų | 130 | 91.5 Ų | 91.5 | 57% | 0.565 | 57% | 0.566 | S | S | * | * | trans | -82.2 | 1.7 | -177.2 | -99.5 | -171 | 174.4 | -175.9 | 0 | 115.8 | H51 S57 | H51-K55 VanDerWaalsContact CE1-CD 3.48Å; H51-K55 WeakPolarHBondContact CE1-CD 3.32Å; H51-K55 WeakPolarHBondContact CE1-CE 3.24Å; H51-K55 PolarHBondContact CE1-NZ 3.29Å; H51-K55 WeakPolarHBondContact NE2-CE 3.49Å; H51-K55 VanDerWaalsContact O-CB 3.26Å; H51-K55 WeakPolarHBondContact O-CB 3.44Å; H51-K55 PolarHBondContact O-N 3.09Å; K55-S57 PolarHBondContact O-N 3.1Å | ||
| 56 | G | 39.8 | Very low | 43.3 | Very low | 72 Ų | 72 | 94.3 Ų | 94.3 | 74% | 0.742 | 59% | 0.592 | S | S | * | * | trans | -64.3 | 18.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116 | L54 | L54-G56 PolarHBondContact O-N 2.79Š| ||
| 57 | S | 39.1 | Very low | 42.2 | Very low | 115 Ų | 115 | 97.3 Ų | 97.3 | 80% | 0.804 | 62% | 0.619 | S | S | * | * | trans | -136.3 | 58.6 | -175.5 | -54.3 | 0 | 0 | 0 | 0 | 112 | K55 | K55-S57 PolarHBondContact O-N 3.1Š| ||
| 58 | S | 30.3 | Very low | 40.9 | Very low | 106 Ų | 106 | 98.6 Ų | 98.6 | 74% | 0.741 | 64% | 0.638 | S | S | * | * | trans | -160.6 | 115.9 | 161.1 | 50.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 59 | S | 38.3 | Very low | 39.6 | Very low | 121 Ų | 121 | 101.4 Ų | 101.4 | 85% | 0.846 | 66% | 0.66 | S | S | * | * | trans | -72.6 | 146.8 | -178.4 | 50.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 60 | S | 30.9 | Very low | 38.1 | Very low | 106 Ų | 106 | 106.8 Ų | 106.8 | 74% | 0.741 | 70% | 0.699 | S | S | * | * | trans | -161.8 | 114.2 | 145.2 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 61 | S | 29.7 | Very low | 36.8 | Very low | 117 Ų | 117 | 109.1 Ų | 109.1 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | 17 | 132.3 | 144.3 | 56.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 62 | S | 29.5 | Very low | 35.5 | Very low | 118 Ų | 118 | 108.1 Ų | 108.1 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | -119.6 | 151.4 | 156.1 | -55 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 63 | P | 31.1 | Very low | 34.8 | Very low | 134 Ų | 134 | 111.9 Ų | 111.9 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | trans | -93.6 | 164.5 | 167.2 | 35.6 | -28.2 | 0 | 0 | 0 | 112.8 | ||||
| 64 | S | 29.4 | Very low | 33.6 | Very low | 112 Ų | 112 | 113.2 Ų | 113.2 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -94 | 153.9 | -164 | 50 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 65 | S | 31.2 | Very low | 32.8 | Very low | 107 Ų | 107 | 112.7 Ų | 112.7 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -179.9 | 106.3 | 143.8 | 50.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 66 | S | 29.8 | Very low | 32.4 | Very low | 110 Ų | 110 | 115.1 Ų | 115.1 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | 85.4 | 97.6 | 89.4 | 70 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 67 | S | 32.1 | Very low | 32.1 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | 12.3 | 138.2 | 144.4 | 57.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 68 | S | 30.3 | Very low | 31.7 | Very low | 122 Ų | 122 | 125 Ų | 125 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | -164.3 | 131.8 | 123.7 | 50.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 69 | S | 32.1 | Very low | 31.9 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | -86.9 | 147.8 | 177.8 | 48.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 70 | S | 30.1 | Very low | 32.1 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | trans | -155.7 | 125.8 | 153.4 | 59.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 71 | S | 31.8 | Very low | 32.6 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 92% | 0.916 | 85% | 0.845 | S | S | * | * | trans | -83.7 | 149.8 | 179.3 | -43.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 72 | G | 30.9 | Very low | 32.9 | Very low | 76 Ų | 76 | 140.1 Ų | 140.1 | 78% | 0.784 | 85% | 0.848 | S | S | * | * | trans | -173.3 | 133.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 73 | P | 42.2 | Very low | 33.3 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 89% | 0.89 | 84% | 0.843 | S | S | * | * | trans | -103.4 | 160 | -161.8 | 38.5 | -32.7 | 0 | 0 | 0 | 115 | ||||
| 74 | G | 28 | Very low | 33.5 | Very low | 72 Ų | 72 | 137.8 Ų | 137.8 | 74% | 0.742 | 84% | 0.839 | S | S | * | * | trans | 113.1 | 103.1 | 145.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 75 | S | 29.5 | Very low | 34.2 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 87% | 0.874 | 85% | 0.845 | S | S | * | * | -176.2 | 134.3 | 125.7 | 33 | 0 | 0 | 0 | 0 | 111.5 | Q77 | S75-Q77 PolarHBondContact O-N 2.83Š| |||
| 76 | L | 33.8 | Very low | 34.7 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 95% | 0.948 | 84% | 0.838 | S | S | * | * | trans | -70.3 | 109.1 | -178.8 | -76 | 157.5 | 0 | 0 | 0 | 111.5 | ||||
| 77 | Q | 35 | Very low | 35.4 | Very low | 191 Ų | 191 | 136.4 Ų | 136.4 | 89% | 0.893 | 84% | 0.841 | S | S | * | * | trans | -162.8 | 59.1 | 149.8 | -145.8 | 164 | -2.8 | 0 | 0 | 113.3 | S75 | S75-Q77 PolarHBondContact O-N 2.83Š| ||
| 78 | E | 30.2 | Very low | 36.3 | Very low | 203 Ų | 203 | 134.9 Ų | 134.9 | 95% | 0.949 | 83% | 0.831 | S | S | * | * | trans | -114 | 90.9 | 166.1 | -85.1 | -176.6 | 136.7 | 0 | 0 | 110 | ||||
| 79 | L | 34.9 | Very low | 37.4 | Very low | 164 Ų | 164 | 132.4 Ų | 132.4 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -108.8 | 117.5 | 163.2 | -123.5 | 153.2 | 0 | 0 | 0 | 107.7 | ||||
| 80 | R | 40.8 | Very low | 39.2 | Very low | 216 Ų | 216 | 136 Ų | 136 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 89.9 | 82.4 | 171.1 | -63.3 | 178.3 | 165 | 158.9 | -4 | 117.4 | ||
| 81 | Q | 41.5 | Very low | 41.7 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | -155.8 | 73 | 120.9 | -101.7 | 143.8 | 68.1 | 0 | 0 | 109.5 | A83 | Q81-A83 VanDerWaalsContact C-N 3.29Å; Q81-A83 PolarHBondContact O-N 3.43Å | |||
| 82 | Q | 37.1 | Very low | 44.4 | Very low | 190 Ų | 190 | 132.8 Ų | 132.8 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | trans | -67.9 | 97.6 | 161.5 | -135.2 | 148.8 | 0.3 | 0 | 0 | 106.2 | C84 | Q82-C84 PolarHBondContact O-N 3.03Š| ||
| 83 | A | 36.6 | Very low | 47.2 | Very low | 86 Ų | 86 | 129.2 Ų | 129.2 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | -58.5 | 108.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q81 S85 | Q81-A83 VanDerWaalsContact C-N 3.29Å; Q81-A83 PolarHBondContact O-N 3.43Å; A83-S85 PolarHBondContact O-N 3.37Å | ||
| 84 | C | 36.9 | Very low | 49.6 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 79% | 0.791 | 69% | 0.688 | S | S | * | * | trans | -60.3 | 114.9 | 172.9 | -72 | 0 | 0 | 0 | 0 | 108.7 | Q82 C86 | Q82-C84 PolarHBondContact O-N 3.03Å; C84-C86 PolarHBondContact O-N 3.28Å | ||
| 85 | S | 43.6 | Very low | 52.7 | Low | 131 Ų | 131 | 121.7 Ų | 121.7 | 92% | 0.916 | 66% | 0.655 | S | S | * | * | trans | -72.2 | 38.2 | 170.5 | -43 | 0 | 0 | 0 | 0 | 112.3 | A83 G87 | A83-S85 PolarHBondContact O-N 3.37Å; S85-G87 PolarHBondContact O-N 3.2Å | ||
| 86 | C | 41 | Very low | 55.7 | Low | 89 Ų | 89 | 122.6 Ų | 122.6 | 60% | 0.601 | 64% | 0.639 | S | S | * | * | trans | -77.3 | 117.9 | 166.9 | 161.5 | 0 | 0 | 0 | 0 | 106.6 | C84 S88 | C84-C86 PolarHBondContact O-N 3.28Å; C86-S88 PolarHBondContact O-N 3.37Å; C86-S88 PolarHBondContact SG-OG 3.19Å; C86-S88 VanDerWaalsContact SG-OG 3.4Å | ||
| 87 | G | 46.1 | Very low | 58.5 | Low | 80 Ų | 80 | 116.3 Ų | 116.3 | 83% | 0.825 | 61% | 0.61 | S | S | * | * | trans | -65.6 | 50.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S85 T89 | S85-G87 PolarHBondContact O-N 3.2Å; G87-T89 PolarHBondContact O-N 3.49Å; G87-T89 VanDerWaalsContact O-N 3.11Å | ||
| 88 | S | 50.5 | Low | 61.1 | Low | 86 Ų | 86 | 109.4 Ų | 109.4 | 60% | 0.601 | 58% | 0.582 | S | S | * | * | trans | -65.5 | 109.1 | 164 | -67 | 0 | 0 | 0 | 0 | 106.8 | C86 R90 | C86-S88 PolarHBondContact O-N 3.37Å; C86-S88 PolarHBondContact SG-OG 3.19Å; C86-S88 VanDerWaalsContact SG-OG 3.4Å; S88-R90 PolarHBondContact O-N 3.32Å | ||
| 89 | T | 53.4 | Low | 64 | Low | 69 Ų | 69 | 107 Ų | 107 | 42% | 0.423 | 57% | 0.571 | S | S | . | * | trans | -43.7 | 113.2 | 162.7 | 24.9 | 0 | 0 | 0 | 0 | 107.6 | G87 R91 | G87-T89 PolarHBondContact O-N 3.49Å; G87-T89 VanDerWaalsContact O-N 3.11Å; T89-R91 PolarHBondContact O-N 3.37Å | ||
| 90 | R | 68.5 | Low | 66.7 | Low | 192 Ų | 192 | 104.1 Ų | 104.1 | 73% | 0.725 | 56% | 0.56 | S | S | * | * | trans | -68.2 | 86.9 | 175.3 | -78.6 | -171.2 | -175.4 | -138.5 | 5.3 | 106.8 | S88 R92 | S88-R90 PolarHBondContact O-N 3.32Å; R90-R92 PolarHBondContact O-N 3.2Å | ||
| 91 | R | 83.2 | Confident | 69.3 | Low | 139 Ų | 139 | 94.1 Ų | 94.1 | 53% | 0.525 | 52% | 0.523 | S | S | . | . | trans | -62.9 | 119.3 | 174.9 | -62.2 | -171.6 | -174.8 | -163.5 | 5.5 | 107.2 | T89 E157 V191 | T89-R91 PolarHBondContact O-N 3.37Å; R91-E157 IonicContact NH1-OE2 3.74Å; R91-E157 PolarHBondContact NH1-OE2 3.35Å; R91-V191 HydrophobicContact CB-CB 4.28Å; R91-V191 HydrophobicContact CB-CG2 3.73Å; R91-V191 WeakPolarHBondContact O-CG2 3.37Å; R91-V191 PolarHBondContact O-N 3.48Å; R91-V191 VanDerWaalsContact O-N 3.12Å | ||
| 92 | R | 88.7 | Confident | 71.8 | Confident | 48 Ų | 48 | 84.7 Ų | 84.7 | 18% | 0.181 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 144 | 174.7 | -61.9 | -176 | -155.9 | -86.8 | 3.8 | 108.6 | R90 E157 T158 E160 A186 V187 V189 | R90-R92 PolarHBondContact O-N 3.2Å; R92-E157 CarbonylContact O-C 3.45Å; R92-E157 WeakPolarHBondContact O-CA 3.5Å; R92-T158 PolarHBondContact O-N 3.44Å; R92-T158 PolarHBondContact O-OG1 3.11Å; R92-E160 IonicContact CZ-OE2 2.91Å; R92-E160 IonicContact NE-OE2 3.44Å; R92-E160 PolarHBondContact NE-OE2 2.86Å; R92-E160 IonicContact NH2-OE2 3.9Å; R92-E160 PolarHBondContact NH2-OE2 3.34Å; R92-A186 VanDerWaalsContact NH2-CB 3.28Å; R92-V187 VanDerWaalsContact CD-O 3.29Å; R92-V187 WeakPolarHBondContact CD-O 3.31Å; R92-V189 CarbonylContact C-O 3.42Å; R92-V189 WeakPolarHBondContact CA-O 3.35Å |
| 93 | G | 90.2 | Very high | 74.6 | Confident | 1 Ų | 1 | 81.9 Ų | 81.9 | 1% | 0.01 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 146.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | T156 G188 V189 | G93-T156 VanDerWaalsContact CA-O 3.29Å; G93-T156 WeakPolarHBondContact CA-O 3.21Å; G93-G188 WeakPolarHBondContact O-CA 3.5Å; G93-V189 PolarHBondContact N-O 3.43Å; G93-V189 PolarHBondContact O-N 3.2Å |
| 94 | V | 91.9 | Very high | 77.4 | Confident | 40 Ų | 40 | 79.3 Ų | 79.3 | 24% | 0.242 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 155.9 | 167.1 | -63.8 | 0 | 0 | 0 | 0 | 109.1 | T155 T156 T158 V187 | V94-T155 CarbonylContact O-C 3.59Å; V94-T155 WeakPolarHBondContact O-CA 3.22Å; V94-T155 WeakPolarHBondContact O-CB 3.46Å; V94-T156 WeakPolarHBondContact CG2-OG1 3.44Å; V94-T156 PolarHBondContact N-O 3.16Å; V94-T156 PolarHBondContact O-N 3.44Å; V94-T158 HydrophobicContact CG2-CG2 4.19Å; V94-V187 HydrophobicContact CG1-CG1 4.29Å |
| 95 | L | 93.4 | Very high | 80.2 | Confident | 10 Ų | 10 | 73.8 Ų | 73.8 | 5% | 0.052 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 135.1 | 174.6 | -66.3 | 174.6 | 0 | 0 | 0 | 109.9 | S97 P98 T101 F153 T155 L283 | L95-S97 VanDerWaalsContact C-N 3.32Å; L95-P98 HydrophobicContact CB-CB 4.35Å; L95-P98 HydrophobicContact CB-CG 4.07Å; L95-P98 WeakPolarHBondContact O-CD 3.21Å; L95-P98 WeakPolarHBondContact O-CG 3.33Å; L95-T101 HydrophobicContact CD1-CG2 3.97Å; L95-T101 HydrophobicContact CD2-CG2 4Å; L95-F153 HydrophobicContact CD2-CB 4.31Å; L95-F153 HydrophobicContact CD2-CD2 3.53Å; L95-F153 HydrophobicContact CD2-CE2 4.19Å; L95-F153 HydrophobicContact CD2-CG 4.18Å; L95-T155 HydrophobicContact CD2-CG2 4.18Å; L95-L283 WeakPolarHBondContact CD1-O 3.3Å; L95-L283 HydrophobicContact CD2-CD1 3.86Å; L95-L283 HydrophobicContact CD2-CG 4.1Å; L95-L283 HydrophobicContact CG-CD1 3.83Å; L95-L283 HydrophobicContact CG-CG 4.28Å |
| 96 | R | 92.8 | Very high | 82.7 | Confident | 144 Ų | 144 | 67.8 Ų | 67.8 | 54% | 0.543 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -66 | -38.4 | 174.5 | -71.6 | -166.2 | -170.7 | 177.1 | -12.2 | 112.2 | E154 T155 T156 | R96-E154 HydrophobicContact CB-CB 4.11Å; R96-E154 VanDerWaalsContact CD-OE2 3.3Å; R96-E154 WeakPolarHBondContact CD-OE2 3.49Å; R96-E154 HydrophobicContact CG-CB 3.92Å; R96-E154 IonicContact CZ-OE2 3.05Å; R96-E154 PolarHBondContact N-O 2.85Å; R96-E154 IonicContact NE-OE2 3.18Å; R96-E154 IonicContact NH1-OE2 2.71Å; R96-E154 PolarHBondContact NH1-OE2 2.99Å; R96-T155 PolarHBondContact NE-O 3.36Å; R96-T156 HydrophobicContact CG-CG2 3.67Å |
| 97 | S | 91.8 | Very high | 85.3 | Confident | 49 Ų | 49 | 65.3 Ų | 65.3 | 34% | 0.343 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -127.1 | 70.9 | -178.9 | 52.6 | 0 | 0 | 0 | 0 | 110.6 | L95 Q99 V100 T101 | L95-S97 VanDerWaalsContact C-N 3.32Å; S97-Q99 VanDerWaalsContact C-N 3.28Å; S97-Q99 PolarHBondContact O-N 3.17Å; S97-V100 PolarHBondContact O-N 3.38Å; S97-T101 PolarHBondContact O-N 3.32Å; S97-T101 VanDerWaalsContact O-N 3.11Å; S97-T101 PolarHBondContact O-OG1 3Å |
| 98 | P | 91.1 | Very high | 87.7 | Confident | 47 Ų | 47 | 61.7 Ų | 61.7 | 31% | 0.305 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -55.4 | -42.6 | -175.1 | -22 | 30.8 | 0 | 0 | 0 | 112.4 | L95 V100 T101 C102 P287 | L95-P98 HydrophobicContact CB-CB 4.35Å; L95-P98 HydrophobicContact CB-CG 4.07Å; L95-P98 WeakPolarHBondContact O-CD 3.21Å; L95-P98 WeakPolarHBondContact O-CG 3.33Å; P98-V100 VanDerWaalsContact C-N 3.34Å; P98-V100 PolarHBondContact O-N 2.94Å; P98-T101 PolarHBondContact O-N 2.88Å; P98-C102 WeakPolarHBondContact O-CB 3.2Å; P98-C102 PolarHBondContact O-N 3.43Å; P98-C102 PolarHBondContact O-SG 3.48Å; P98-P287 HydrophobicContact CB-CB 3.98Å; P98-P287 HydrophobicContact CB-CG 4.47Å |
| 99 | Q | 89.7 | Confident | 89.9 | Confident | 151 Ų | 151 | 57.6 Ų | 57.6 | 71% | 0.706 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -58.9 | -41.8 | -178.3 | -62.2 | -64.7 | -4.7 | 0 | 0 | 113.2 | S97 K103 | S97-Q99 VanDerWaalsContact C-N 3.28Å; S97-Q99 PolarHBondContact O-N 3.17Å; Q99-K103 WeakPolarHBondContact O-CB 3.37Å; Q99-K103 PolarHBondContact O-N 3.12Å |
| 100 | V | 92.8 | Very high | 91.8 | Very high | 105 Ų | 105 | 55 Ų | 55 | 64% | 0.636 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -75.4 | -50.9 | -178.3 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | S97 P98 K103 A104 | S97-V100 PolarHBondContact O-N 3.38Å; P98-V100 VanDerWaalsContact C-N 3.34Å; P98-V100 PolarHBondContact O-N 2.94Å; V100-K103 PolarHBondContact O-N 3.49Å; V100-A104 PolarHBondContact O-N 3.01Å |
| 101 | T | 94.6 | Very high | 93 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68 | -43.2 | -175.3 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | L95 S97 P98 A104 A105 F153 F284 | L95-T101 HydrophobicContact CD1-CG2 3.97Å; L95-T101 HydrophobicContact CD2-CG2 4Å; S97-T101 PolarHBondContact O-N 3.32Å; S97-T101 VanDerWaalsContact O-N 3.11Å; S97-T101 PolarHBondContact O-OG1 3Å; P98-T101 PolarHBondContact O-N 2.88Å; T101-A104 PolarHBondContact O-N 3.38Å; T101-A105 WeakPolarHBondContact O-CB 3.28Å; T101-A105 PolarHBondContact O-N 3.21Å; T101-F153 HydrophobicContact CG2-CB 3.53Å; T101-F153 HydrophobicContact CG2-CG 4.15Å; T101-F284 HydrophobicContact CG2-CD1 3.95Å; T101-F284 HydrophobicContact CG2-CE1 3.83Å |
| 102 | C | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.4 | -39.2 | 177.7 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | P98 A104 A105 S106 F284 V288 | P98-C102 WeakPolarHBondContact O-CB 3.2Å; P98-C102 PolarHBondContact O-N 3.43Å; P98-C102 PolarHBondContact O-SG 3.48Å; C102-A104 VanDerWaalsContact C-N 3.34Å; C102-A104 PolarHBondContact O-N 3.44Å; C102-A105 PolarHBondContact O-N 3.05Å; C102-S106 WeakPolarHBondContact O-CB 3.37Å; C102-S106 PolarHBondContact O-N 3.26Å; C102-S106 PolarHBondContact O-OG 3.16Å; C102-S106 VanDerWaalsContact O-OG 3.04Å; C102-F284 VanDerWaalsContact CB-O 3.23Å; C102-F284 WeakPolarHBondContact CB-O 3.2Å; C102-F284 PolarHBondContact SG-O 3.4Å; C102-V288 HydrophobicContact CB-CG2 3.25Å |
| 103 | K | 93.9 | Very high | 93.8 | Very high | 130 Ų | 130 | 41.2 Ų | 41.2 | 57% | 0.565 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -59.8 | -44 | 173.7 | -178.1 | 178.3 | 179.9 | 179.5 | 0 | 111.9 | Q99 V100 S106 A107 | Q99-K103 WeakPolarHBondContact O-CB 3.37Å; Q99-K103 PolarHBondContact O-N 3.12Å; V100-K103 PolarHBondContact O-N 3.49Å; K103-S106 PolarHBondContact O-N 3.39Å; K103-A107 PolarHBondContact O-N 3.25Å |
| 104 | A | 96.3 | Very high | 93.8 | Very high | 33 Ų | 33 | 42.5 Ų | 42.5 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V100 T101 C102 S106 A107 V108 V151 | V100-A104 PolarHBondContact O-N 3.01Å; T101-A104 PolarHBondContact O-N 3.38Å; C102-A104 VanDerWaalsContact C-N 3.34Å; C102-A104 PolarHBondContact O-N 3.44Å; A104-S106 PolarHBondContact O-N 2.89Å; A104-A107 WeakPolarHBondContact O-CB 3.37Å; A104-A107 PolarHBondContact O-N 3.18Å; A104-A107 VanDerWaalsContact O-N 3.15Å; A104-V108 WeakPolarHBondContact O-CG2 3.34Å; A104-V108 PolarHBondContact O-N 3.27Å; A104-V151 HydrophobicContact CB-CG1 4.07Å; A104-V151 HydrophobicContact CB-CG2 4.38Å |
| 105 | A | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T101 C102 A107 V108 L109 L142 L146 F284 | T101-A105 WeakPolarHBondContact O-CB 3.28Å; T101-A105 PolarHBondContact O-N 3.21Å; C102-A105 PolarHBondContact O-N 3.05Å; A105-A107 VanDerWaalsContact C-N 3.35Å; A105-A107 PolarHBondContact O-N 3.17Å; A105-V108 PolarHBondContact O-N 3.03Å; A105-L109 WeakPolarHBondContact O-CB 3.14Å; A105-L109 PolarHBondContact O-N 2.97Å; A105-L142 WeakPolarHBondContact O-CD1 3.45Å; A105-L146 HydrophobicContact CB-CD2 4.14Å; A105-F284 HydrophobicContact CB-CB 3.89Å; A105-F284 HydrophobicContact CB-CD1 4Å; A105-F284 HydrophobicContact CB-CG 4.12Å |
| 106 | S | 95.6 | Very high | 93.9 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 4% | 0.035 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.2 | -40.3 | 173.5 | -62 | 0 | 0 | 0 | 0 | 112.2 | C102 K103 A104 L109 V110 | C102-S106 WeakPolarHBondContact O-CB 3.37Å; C102-S106 PolarHBondContact O-N 3.26Å; C102-S106 PolarHBondContact O-OG 3.16Å; C102-S106 VanDerWaalsContact O-OG 3.04Å; K103-S106 PolarHBondContact O-N 3.39Å; A104-S106 PolarHBondContact O-N 2.89Å; S106-L109 WeakPolarHBondContact O-CB 3.46Å; S106-L109 PolarHBondContact O-N 3.15Å; S106-V110 WeakPolarHBondContact O-CG2 3.31Å; S106-V110 PolarHBondContact O-N 3.13Å |
| 107 | A | 95.3 | Very high | 93.8 | Very high | 37 Ų | 37 | 37.5 Ų | 37.5 | 31% | 0.306 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | K103 A104 A105 L109 V110 K111 | K103-A107 PolarHBondContact O-N 3.25Å; A104-A107 WeakPolarHBondContact O-CB 3.37Å; A104-A107 PolarHBondContact O-N 3.18Å; A104-A107 VanDerWaalsContact O-N 3.15Å; A105-A107 VanDerWaalsContact C-N 3.35Å; A105-A107 PolarHBondContact O-N 3.17Å; A107-L109 VanDerWaalsContact C-N 3.33Å; A107-V110 PolarHBondContact O-N 3.41Å; A107-K111 WeakPolarHBondContact O-CG 3.44Å; A107-K111 PolarHBondContact O-N 3.01Å; A107-K111 VanDerWaalsContact O-N 3.12Å |
| 108 | V | 97.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 173.7 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | A104 A105 V110 K111 T112 L142 G145 L146 D149 V151 | A104-V108 WeakPolarHBondContact O-CG2 3.34Å; A104-V108 PolarHBondContact O-N 3.27Å; A105-V108 PolarHBondContact O-N 3.03Å; V108-V110 VanDerWaalsContact C-N 3.35Å; V108-V110 PolarHBondContact O-N 3.44Å; V108-K111 WeakPolarHBondContact O-CB 3.38Å; V108-K111 PolarHBondContact O-N 3.26Å; V108-T112 WeakPolarHBondContact O-CB 3.44Å; V108-T112 PolarHBondContact O-N 3.48Å; V108-T112 PolarHBondContact O-OG1 3.44Å; V108-L142 HydrophobicContact CB-CD1 3.98Å; V108-L142 HydrophobicContact CG1-CD1 3.78Å; V108-G145 VanDerWaalsContact CG1-C 3.44Å; V108-L146 HydrophobicContact CB-CD2 4.29Å; V108-L146 HydrophobicContact CG2-CD2 4.06Å; V108-D149 HydrophobicContact CG2-CB 4.1Å; V108-D149 WeakPolarHBondContact CG2-OD2 3.35Å; V108-V151 HydrophobicContact CG2-CG2 4.26Å |
| 109 | L | 95.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 178.2 | -175.1 | 64.8 | 0 | 0 | 0 | 112.1 | A105 S106 A107 K111 T112 L113 W138 L142 F285 I294 L298 | A105-L109 WeakPolarHBondContact O-CB 3.14Å; A105-L109 PolarHBondContact O-N 2.97Å; S106-L109 WeakPolarHBondContact O-CB 3.46Å; S106-L109 PolarHBondContact O-N 3.15Å; A107-L109 VanDerWaalsContact C-N 3.33Å; L109-K111 PolarHBondContact O-N 2.86Å; L109-T112 WeakPolarHBondContact O-CB 3.44Å; L109-T112 PolarHBondContact O-N 3.04Å; L109-L113 WeakPolarHBondContact O-CG 3.37Å; L109-L113 PolarHBondContact O-N 3.31Å; L109-W138 HydrophobicContact CD1-CE3 4.45Å; L109-L142 HydrophobicContact CB-CD1 3.94Å; L109-L142 HydrophobicContact CD1-CD1 4.34Å; L109-F285 HydrophobicContact CB-CE1 4.46Å; L109-F285 HydrophobicContact CB-CZ 4.23Å; L109-F285 HydrophobicContact CD2-CE1 3.65Å; L109-F285 HydrophobicContact CD2-CZ 3.7Å; L109-F285 HydrophobicContact CG-CZ 4.43Å; L109-I294 HydrophobicContact CD2-CD1 4.26Å; L109-L298 HydrophobicContact CD1-CD2 3.65Å; L109-L298 HydrophobicContact CD2-CD2 3.62Å; L109-L298 HydrophobicContact CG-CD2 3.88Å |
| 110 | V | 94.3 | Very high | 93.7 | Very high | 13 Ų | 13 | 30 Ų | 30 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.5 | -46 | 174.7 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | L49 S106 A107 V108 T112 L113 R114 M301 | L49-V110 HydrophobicContact CD1-CG2 3.49Å; L49-V110 VanDerWaalsContact CD1-CG2 3.49Å; S106-V110 WeakPolarHBondContact O-CG2 3.31Å; S106-V110 PolarHBondContact O-N 3.13Å; A107-V110 PolarHBondContact O-N 3.41Å; V108-V110 VanDerWaalsContact C-N 3.35Å; V108-V110 PolarHBondContact O-N 3.44Å; V110-T112 VanDerWaalsContact C-N 3.3Å; V110-T112 PolarHBondContact O-N 3.42Å; V110-L113 PolarHBondContact O-N 3.05Å; V110-R114 WeakPolarHBondContact O-CB 3.48Å; V110-R114 PolarHBondContact O-N 3.47Å; V110-M301 HydrophobicContact CG2-CE 3.51Å |
| 111 | K | 93.4 | Very high | 93.6 | Very high | 74 Ų | 74 | 25.2 Ų | 25.2 | 32% | 0.322 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -59.3 | -42.6 | 175.7 | -70 | 178.3 | -176.5 | 178.1 | 0 | 111.5 | V31 A107 V108 L109 R114 F115 D149 | V31-K111 HydrophobicContact CG1-CB 4.03Å; V31-K111 HydrophobicContact CG1-CD 4.23Å; V31-K111 HydrophobicContact CG1-CG 3.88Å; A107-K111 WeakPolarHBondContact O-CG 3.44Å; A107-K111 PolarHBondContact O-N 3.01Å; A107-K111 VanDerWaalsContact O-N 3.12Å; V108-K111 WeakPolarHBondContact O-CB 3.38Å; V108-K111 PolarHBondContact O-N 3.26Å; L109-K111 PolarHBondContact O-N 2.86Å; K111-R114 PolarHBondContact O-N 3.32Å; K111-F115 WeakPolarHBondContact O-CB 3.46Å; K111-F115 PolarHBondContact O-N 3.4Å; K111-D149 IonicContact NZ-OD1 3.97Å; K111-D149 IonicContact NZ-OD2 3.7Å; K111-D149 PolarHBondContact NZ-OD2 3.3Å |
| 112 | T | 94.2 | Very high | 93.6 | Very high | 4 Ų | 4 | 25 Ų | 25 | 3% | 0.025 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.7 | -48.6 | 177.6 | -68.1 | 0 | 0 | 0 | 0 | 111.8 | V108 L109 V110 R114 F115 V116 L141 | V108-T112 WeakPolarHBondContact O-CB 3.44Å; V108-T112 PolarHBondContact O-N 3.48Å; V108-T112 PolarHBondContact O-OG1 3.44Å; L109-T112 WeakPolarHBondContact O-CB 3.44Å; L109-T112 PolarHBondContact O-N 3.04Å; V110-T112 VanDerWaalsContact C-N 3.3Å; V110-T112 PolarHBondContact O-N 3.42Å; T112-R114 VanDerWaalsContact C-N 3.32Å; T112-R114 PolarHBondContact O-N 3.15Å; T112-F115 WeakPolarHBondContact O-CB 3.43Å; T112-F115 PolarHBondContact O-N 3.01Å; T112-V116 WeakPolarHBondContact O-CG2 3.17Å; T112-V116 PolarHBondContact O-N 3.2Å; T112-L141 HydrophobicContact CG2-CB 3.58Å; T112-L141 HydrophobicContact CG2-CD1 4.3Å |
| 113 | L | 93.8 | Very high | 93.4 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 6% | 0.063 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.4 | -40 | 177.9 | -68.5 | -177.9 | 0 | 0 | 0 | 111.9 | L109 V110 V116 K117 I134 L298 M301 F302 | L109-L113 WeakPolarHBondContact O-CG 3.37Å; L109-L113 PolarHBondContact O-N 3.31Å; V110-L113 PolarHBondContact O-N 3.05Å; L113-V116 PolarHBondContact O-N 3.3Å; L113-K117 WeakPolarHBondContact O-CB 3.44Å; L113-K117 PolarHBondContact O-N 2.89Å; L113-I134 HydrophobicContact CD2-CG2 4.32Å; L113-L298 HydrophobicContact CD1-CD2 3.94Å; L113-L298 HydrophobicContact CD2-CD2 4.2Å; L113-L298 HydrophobicContact CG-CD2 4.4Å; L113-M301 HydrophobicContact CD1-CB 3.83Å; L113-M301 HydrophobicContact CD1-CE 4.06Å; L113-M301 HydrophobicContact CD1-SD 4.34Å; L113-F302 HydrophobicContact CB-CD2 4.44Å; L113-F302 HydrophobicContact CD2-CD2 4.17Å |
| 114 | R | 91.6 | Very high | 93.4 | Very high | 29 Ų | 29 | 32.7 Ų | 32.7 | 11% | 0.109 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 174.3 | -175.1 | -177.8 | -56.7 | 148.1 | 6.3 | 111.7 | V31 V110 K111 T112 V116 K117 N118 | V31-R114 HydrophobicContact CG2-CG 4.25Å; V110-R114 WeakPolarHBondContact O-CB 3.48Å; V110-R114 PolarHBondContact O-N 3.47Å; K111-R114 PolarHBondContact O-N 3.32Å; T112-R114 VanDerWaalsContact C-N 3.32Å; T112-R114 PolarHBondContact O-N 3.15Å; R114-V116 PolarHBondContact O-N 3.25Å; R114-K117 PolarHBondContact O-N 2.08Å; R114-N118 WeakPolarHBondContact O-CB 3.46Å; R114-N118 VanDerWaalsContact O-CG 3.28Å; R114-N118 PolarHBondContact O-N 2.92Å; R114-N118 PolarHBondContact O-ND2 3.04Å |
| 115 | F | 92.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -53.7 | -54.8 | 173.8 | 163.4 | -95.3 | 0 | 0 | 0 | 110.2 | I24 D28 K111 T112 K117 N118 V119 K218 L222 | I24-F115 HydrophobicContact CG2-CE2 3.88Å; I24-F115 HydrophobicContact CG2-CZ 3.98Å; D28-F115 HydrophobicContact CB-CD2 4.33Å; K111-F115 WeakPolarHBondContact O-CB 3.46Å; K111-F115 PolarHBondContact O-N 3.4Å; T112-F115 WeakPolarHBondContact O-CB 3.43Å; T112-F115 PolarHBondContact O-N 3.01Å; F115-K117 PolarHBondContact O-N 3.29Å; F115-N118 PolarHBondContact O-N 3.41Å; F115-N118 VanDerWaalsContact O-N 3.16Å; F115-V119 HydrophobicContact CE1-CG2 4.31Å; F115-V119 HydrophobicContact CE2-CG2 4.21Å; F115-V119 HydrophobicContact CZ-CG2 4.06Å; F115-V119 WeakPolarHBondContact O-CG2 3.45Å; F115-V119 PolarHBondContact O-N 3.3Å; F115-K218 HydrophobicContact CD1-CD 4.19Å; F115-K218 HydrophobicContact CD2-CD 4.48Å; F115-K218 HydrophobicContact CE1-CB 3.71Å; F115-K218 HydrophobicContact CE1-CD 4.11Å; F115-K218 HydrophobicContact CE1-CG 4.5Å; F115-K218 HydrophobicContact CE2-CD 4.39Å; F115-K218 HydrophobicContact CG-CD 4.38Å; F115-K218 HydrophobicContact CZ-CB 3.78Å; F115-K218 HydrophobicContact CZ-CD 4.21Å; F115-L222 HydrophobicContact CE1-CD2 4.4Å |
| 116 | V | 93.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.1 | -47.4 | -179.1 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | T112 L113 R114 N118 V119 F122 I134 L141 L222 F302 | T112-V116 WeakPolarHBondContact O-CG2 3.17Å; T112-V116 PolarHBondContact O-N 3.2Å; L113-V116 PolarHBondContact O-N 3.3Å; R114-V116 PolarHBondContact O-N 3.25Å; V116-N118 PolarHBondContact O-N 3.08Å; V116-V119 PolarHBondContact O-N 2.82Å; V116-F122 HydrophobicContact CG1-CD1 3.79Å; V116-F122 HydrophobicContact CG1-CD2 4.05Å; V116-F122 HydrophobicContact CG1-CE1 3.62Å; V116-F122 HydrophobicContact CG1-CE2 3.87Å; V116-F122 HydrophobicContact CG1-CG 4.02Å; V116-F122 HydrophobicContact CG1-CZ 3.66Å; V116-I134 HydrophobicContact CG1-CG1 4.24Å; V116-L141 HydrophobicContact CG2-CD1 4.12Å; V116-L222 HydrophobicContact CG1-CD1 3.91Å; V116-L222 HydrophobicContact CG1-CD2 4.25Å; V116-L222 HydrophobicContact CG2-CD1 3.86Å; V116-L222 HydrophobicContact CG2-CD2 4.15Å; V116-F302 HydrophobicContact CB-CE2 4.2Å; V116-F302 HydrophobicContact CG1-CE2 3.93Å; V116-F302 HydrophobicContact CG1-CZ 4.17Å |
| 117 | K | 90.9 | Very high | 93.2 | Very high | 85 Ų | 85 | 39.7 Ų | 39.7 | 37% | 0.37 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.6 | -31.9 | -179.4 | -169.4 | 166.4 | -178.4 | 162.9 | 0 | 112.7 | L113 R114 F115 R123 F302 | L113-K117 WeakPolarHBondContact O-CB 3.44Å; L113-K117 PolarHBondContact O-N 2.89Å; R114-K117 PolarHBondContact O-N 2.08Å; F115-K117 PolarHBondContact O-N 3.29Å; K117-R123 VanDerWaalsContact O-CD 3.28Å; K117-R123 WeakPolarHBondContact O-CD 3.18Å; K117-R123 WeakPolarHBondContact O-CG 3.23Å; K117-F302 HydrophobicContact CB-CE2 3.73Å; K117-F302 HydrophobicContact CB-CZ 4.01Å; K117-F302 HydrophobicContact CG-CE2 4.38Å; K117-F302 HydrophobicContact CG-CZ 4.32Å; K117-F302 PolarHBondContact NZ-O 3.47Å |
| 118 | N | 89.7 | Confident | 93.2 | Very high | 55 Ų | 55 | 41.4 Ų | 41.4 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -83.9 | -14.2 | -178.5 | -73.3 | -18.8 | 0 | 0 | 0 | 113.6 | S27 R114 F115 V116 P120 | S27-N118 VanDerWaalsContact OG-C 3.32Å; S27-N118 PolarHBondContact OG-O 2.83Å; R114-N118 WeakPolarHBondContact O-CB 3.46Å; R114-N118 VanDerWaalsContact O-CG 3.28Å; R114-N118 PolarHBondContact O-N 2.92Å; R114-N118 PolarHBondContact O-ND2 3.04Å; F115-N118 PolarHBondContact O-N 3.41Å; F115-N118 VanDerWaalsContact O-N 3.16Å; V116-N118 PolarHBondContact O-N 3.08Å; N118-P120 WeakPolarHBondContact O-CD 3.49Å |
| 119 | V | 91.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -69.4 | 112.7 | 177.4 | 175.4 | 0 | 0 | 0 | 0 | 110.3 | I24 F115 V116 C121 F122 R123 F223 | I24-V119 HydrophobicContact CG1-CG1 4.29Å; I24-V119 HydrophobicContact CG1-CG2 4.33Å; F115-V119 HydrophobicContact CE1-CG2 4.31Å; F115-V119 HydrophobicContact CE2-CG2 4.21Å; F115-V119 HydrophobicContact CZ-CG2 4.06Å; F115-V119 WeakPolarHBondContact O-CG2 3.45Å; F115-V119 PolarHBondContact O-N 3.3Å; V116-V119 PolarHBondContact O-N 2.82Å; V119-C121 WeakPolarHBondContact CG1-SG 3.41Å; V119-C121 PolarHBondContact O-N 3.4Å; V119-F122 HydrophobicContact CB-CB 3.91Å; V119-F122 HydrophobicContact CG1-CB 3.86Å; V119-F122 WeakPolarHBondContact O-CB 3.08Å; V119-F122 PolarHBondContact O-N 2.94Å; V119-R123 PolarHBondContact O-N 3.07Å; V119-F223 HydrophobicContact CG1-CZ 3.99Å | ||
| 120 | P | 89.8 | Confident | 93.2 | Very high | 34 Ų | 34 | 42.1 Ų | 42.1 | 22% | 0.221 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.6 | -37.5 | -174.1 | -24.4 | 36.9 | 0 | 0 | 0 | 114.7 | N118 F122 R123 Q124 | N118-P120 WeakPolarHBondContact O-CD 3.49Å; P120-F122 VanDerWaalsContact C-N 3.29Å; P120-F122 PolarHBondContact O-N 3.27Å; P120-R123 PolarHBondContact O-N 3.34Å; P120-Q124 WeakPolarHBondContact O-CG 3.49Å; P120-Q124 PolarHBondContact O-N 2.94Å |
| 121 | C | 90.8 | Very high | 93.3 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.034 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.4 | -27.8 | 176.5 | 51.6 | 0 | 0 | 0 | 0 | 112.6 | I20 V119 Q124 Y235 L239 | I20-C121 HydrophobicContact CG1-CB 4.32Å; I20-C121 HydrophobicContact CG2-CB 4.48Å; V119-C121 WeakPolarHBondContact CG1-SG 3.41Å; V119-C121 PolarHBondContact O-N 3.4Å; C121-Q124 PolarHBondContact O-N 3.45Å; C121-Y235 WeakPolarHBondContact CB-OH 3.35Å; C121-L239 HydrophobicContact CB-CD1 4.07Å; C121-L239 HydrophobicContact CB-CD2 3.78Å |
| 122 | F | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.4 | -43.8 | 172.4 | -176.7 | -90 | 0 | 0 | 0 | 110.7 | V116 V119 P120 Q124 L125 Q130 L133 I134 L222 F223 F302 | V116-F122 HydrophobicContact CG1-CD1 3.79Å; V116-F122 HydrophobicContact CG1-CD2 4.05Å; V116-F122 HydrophobicContact CG1-CE1 3.62Å; V116-F122 HydrophobicContact CG1-CE2 3.87Å; V116-F122 HydrophobicContact CG1-CG 4.02Å; V116-F122 HydrophobicContact CG1-CZ 3.66Å; V119-F122 HydrophobicContact CB-CB 3.91Å; V119-F122 HydrophobicContact CG1-CB 3.86Å; V119-F122 WeakPolarHBondContact O-CB 3.08Å; V119-F122 PolarHBondContact O-N 2.94Å; P120-F122 VanDerWaalsContact C-N 3.29Å; P120-F122 PolarHBondContact O-N 3.27Å; F122-Q124 PolarHBondContact O-N 2.94Å; F122-Q124 VanDerWaalsContact O-N 3.13Å; F122-L125 HydrophobicContact CD2-CD1 4.11Å; F122-L125 HydrophobicContact CE2-CD1 4.46Å; F122-L125 VanDerWaalsContact O-CB 3.31Å; F122-L125 WeakPolarHBondContact O-CB 3.46Å; F122-L125 PolarHBondContact O-N 3.35Å; F122-Q130 HydrophobicContact CD1-CG 4.17Å; F122-Q130 HydrophobicContact CE1-CB 3.73Å; F122-Q130 HydrophobicContact CE1-CG 3.59Å; F122-Q130 HydrophobicContact CE2-CB 4.43Å; F122-Q130 HydrophobicContact CE2-CG 4.43Å; F122-Q130 HydrophobicContact CZ-CB 3.54Å; F122-Q130 HydrophobicContact CZ-CG 3.74Å; F122-L133 HydrophobicContact CD2-CD1 4.38Å; F122-L133 HydrophobicContact CE2-CB 4Å; F122-L133 HydrophobicContact CE2-CD1 3.95Å; F122-I134 HydrophobicContact CE1-CD1 4.11Å; F122-I134 HydrophobicContact CE2-CG1 4.48Å; F122-I134 HydrophobicContact CZ-CD1 3.75Å; F122-I134 HydrophobicContact CZ-CG1 3.74Å; F122-L222 HydrophobicContact CD2-CD1 4.06Å; F122-L222 HydrophobicContact CD2-CD2 4Å; F122-L222 HydrophobicContact CD2-CG 4.17Å; F122-L222 HydrophobicContact CE2-CD1 3.87Å; F122-L222 HydrophobicContact CE2-CG 4.45Å; F122-F223 HydrophobicContact CB-CE1 4.31Å; F122-F223 HydrophobicContact CB-CZ 4.45Å; F122-F223 HydrophobicContact CD2-CE1 4.16Å; F122-F302 HydrophobicContact CD1-CZ 4.39Å; F122-F302 HydrophobicContact CE1-CE1 4.22Å; F122-F302 AromaticContact CE1-CZ 3.7Å; F122-F302 HydrophobicContact CE1-CZ 3.7Å |
| 123 | R | 91.9 | Very high | 93.5 | Very high | 153 Ų | 153 | 42.3 Ų | 42.3 | 58% | 0.577 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -63.4 | -16.5 | 176.9 | -67.6 | -171.6 | -72.3 | 150.6 | -3.2 | 114.7 | K117 V119 P120 L125 | K117-R123 VanDerWaalsContact O-CD 3.28Å; K117-R123 WeakPolarHBondContact O-CD 3.18Å; K117-R123 WeakPolarHBondContact O-CG 3.23Å; V119-R123 PolarHBondContact O-N 3.07Å; P120-R123 PolarHBondContact O-N 3.34Å; R123-L125 VanDerWaalsContact C-N 3.34Å |
| 124 | Q | 92.4 | Very high | 93.6 | Very high | 138 Ų | 138 | 41.9 Ų | 41.9 | 65% | 0.645 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -12.4 | 176.4 | -69.2 | 172.4 | 21.6 | 0 | 0 | 112.9 | P120 C121 F122 Y235 | P120-Q124 WeakPolarHBondContact O-CG 3.49Å; P120-Q124 PolarHBondContact O-N 2.94Å; C121-Q124 PolarHBondContact O-N 3.45Å; F122-Q124 PolarHBondContact O-N 2.94Å; F122-Q124 VanDerWaalsContact O-N 3.13Å; Q124-Y235 PolarHBondContact OE1-OH 3.46Å |
| 125 | L | 94.9 | Very high | 93.8 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -73.5 | 150.5 | 177.9 | -67.8 | 168.7 | 0 | 0 | 0 | 111 | F122 R123 D129 Q130 L133 C232 Y235 I236 | F122-L125 HydrophobicContact CD2-CD1 4.11Å; F122-L125 HydrophobicContact CE2-CD1 4.46Å; F122-L125 VanDerWaalsContact O-CB 3.31Å; F122-L125 WeakPolarHBondContact O-CB 3.46Å; F122-L125 PolarHBondContact O-N 3.35Å; R123-L125 VanDerWaalsContact C-N 3.34Å; L125-D129 HydrophobicContact CB-CB 4.33Å; L125-Q130 HydrophobicContact CB-CG 3.81Å; L125-Q130 PolarHBondContact O-NE2 3.46Å; L125-L133 HydrophobicContact CD1-CD1 3.46Å; L125-L133 VanDerWaalsContact CD1-CD1 3.46Å; L125-C232 HydrophobicContact CD2-CB 3.96Å; L125-Y235 HydrophobicContact CD2-CD1 3.55Å; L125-Y235 HydrophobicContact CD2-CE1 3.9Å; L125-Y235 HydrophobicContact CG-CD1 4.43Å; L125-Y235 HydrophobicContact CG-CE1 4.3Å; L125-I236 HydrophobicContact CD1-CG1 4.36Å; L125-I236 HydrophobicContact CD2-CD1 4.16Å; L125-I236 HydrophobicContact CD2-CG1 3.82Å |
| 126 | P | 95.9 | Very high | 93.9 | Very high | 38 Ų | 38 | 47.6 Ų | 47.6 | 25% | 0.247 | 23% | 0.227 | C | C | . | . | trans | -53.4 | 145.4 | 166.1 | -23 | 33.4 | 0 | 0 | 0 | 111.4 | D128 D129 Q130 | P126-D128 PolarHBondContact O-N 2.81Å; P126-D129 PolarHBondContact O-N 3Å; P126-Q130 PolarHBondContact O-N 3.33Å | ||
| 127 | E | 94.7 | Very high | 94 | Very high | 141 Ų | 141 | 47.7 Ų | 47.7 | 66% | 0.659 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -56.7 | -37 | -179.7 | -66.7 | -175.4 | 172.2 | 0 | 0 | 112.6 | D129 Q130 L131 | E127-D129 PolarHBondContact O-N 3.34Å; E127-Q130 WeakPolarHBondContact O-CB 3.25Å; E127-Q130 PolarHBondContact O-N 2.95Å; E127-L131 VanDerWaalsContact O-CB 3.32Å; E127-L131 WeakPolarHBondContact O-CB 3.37Å; E127-L131 PolarHBondContact O-N 3Å |
| 128 | D | 95.3 | Very high | 94.3 | Very high | 72 Ų | 72 | 43.9 Ų | 43.9 | 39% | 0.385 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.4 | -43.6 | 175 | -65 | -44.7 | 0 | 0 | 0 | 112 | P126 L131 M132 R231 | P126-D128 PolarHBondContact O-N 2.81Å; D128-L131 PolarHBondContact O-N 3.31Å; D128-M132 HydrophobicContact CB-CE 4.41Å; D128-M132 WeakPolarHBondContact O-CE 3.28Å; D128-M132 WeakPolarHBondContact O-CG 3.36Å; D128-M132 PolarHBondContact O-N 2.96Å; D128-R231 IonicContact OD2-CZ 3.43Å; D128-R231 IonicContact OD2-NH1 3.53Å; D128-R231 PolarHBondContact OD2-NH1 3.29Å; D128-R231 IonicContact OD2-NH2 2.86Å; D128-R231 PolarHBondContact OD2-NH2 2.88Å |
| 129 | D | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.6 | -40.4 | 176.8 | -75 | 2.2 | 0 | 0 | 0 | 111 | L125 P126 E127 L131 M132 L133 L230 R231 C232 | L125-D129 HydrophobicContact CB-CB 4.33Å; P126-D129 PolarHBondContact O-N 3Å; E127-D129 PolarHBondContact O-N 3.34Å; D129-L131 VanDerWaalsContact C-N 3.32Å; D129-L131 PolarHBondContact O-N 3.39Å; D129-M132 PolarHBondContact O-N 3.21Å; D129-M132 WeakPolarHBondContact OD1-CE 3.39Å; D129-L133 VanDerWaalsContact O-CG 3.25Å; D129-L133 WeakPolarHBondContact O-CG 3.42Å; D129-L133 PolarHBondContact O-N 3Å; D129-L230 HydrophobicContact CB-CD2 4.28Å; D129-R231 PolarHBondContact OD1-N 3.14Å; D129-R231 PolarHBondContact OD2-N 3.06Å; D129-C232 PolarHBondContact OD2-N 3.04Å |
| 130 | Q | 96.3 | Very high | 95 | Very high | 21 Ų | 21 | 42.7 Ų | 42.7 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.6 | -45.8 | 174.6 | -67.2 | -175.9 | 36.1 | 0 | 0 | 111.1 | F122 L125 P126 E127 L133 I134 | F122-Q130 HydrophobicContact CD1-CG 4.17Å; F122-Q130 HydrophobicContact CE1-CB 3.73Å; F122-Q130 HydrophobicContact CE1-CG 3.59Å; F122-Q130 HydrophobicContact CE2-CB 4.43Å; F122-Q130 HydrophobicContact CE2-CG 4.43Å; F122-Q130 HydrophobicContact CZ-CB 3.54Å; F122-Q130 HydrophobicContact CZ-CG 3.74Å; L125-Q130 HydrophobicContact CB-CG 3.81Å; L125-Q130 PolarHBondContact O-NE2 3.46Å; P126-Q130 PolarHBondContact O-N 3.33Å; E127-Q130 WeakPolarHBondContact O-CB 3.25Å; E127-Q130 PolarHBondContact O-N 2.95Å; Q130-L133 PolarHBondContact O-N 2.91Å; Q130-I134 VanDerWaalsContact O-CG1 3.28Å; Q130-I134 WeakPolarHBondContact O-CG1 3.47Å; Q130-I134 PolarHBondContact O-N 3.48Å |
| 131 | L | 95.1 | Very high | 95.4 | Very high | 39 Ų | 39 | 41.2 Ų | 41.2 | 20% | 0.204 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.2 | -46.7 | 178.2 | 179.2 | 59.2 | 0 | 0 | 0 | 111.8 | E127 D128 D129 I134 R135 M299 | E127-L131 VanDerWaalsContact O-CB 3.32Å; E127-L131 WeakPolarHBondContact O-CB 3.37Å; E127-L131 PolarHBondContact O-N 3Å; D128-L131 PolarHBondContact O-N 3.31Å; D129-L131 VanDerWaalsContact C-N 3.32Å; D129-L131 PolarHBondContact O-N 3.39Å; L131-I134 PolarHBondContact O-N 2.88Å; L131-R135 HydrophobicContact CD1-CG 4.19Å; L131-R135 WeakPolarHBondContact O-CB 3.35Å; L131-R135 WeakPolarHBondContact O-CG 3.36Å; L131-R135 PolarHBondContact O-N 2.89Å; L131-M299 HydrophobicContact CD1-CE 4.13Å; L131-M299 HydrophobicContact CD1-CG 3.84Å; L131-M299 HydrophobicContact CD1-SD 3.07Å; L131-M299 WeakPolarHBondContact CD1-SD 3.36Å |
| 132 | M | 96.3 | Very high | 95.8 | Very high | 55 Ų | 55 | 41 Ų | 41 | 27% | 0.271 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 177.3 | -74.4 | -173.9 | -85.8 | 0 | 0 | 112.3 | D128 D129 S136 L227 L230 | D128-M132 HydrophobicContact CB-CE 4.41Å; D128-M132 WeakPolarHBondContact O-CE 3.28Å; D128-M132 WeakPolarHBondContact O-CG 3.36Å; D128-M132 PolarHBondContact O-N 2.96Å; D129-M132 PolarHBondContact O-N 3.21Å; D129-M132 WeakPolarHBondContact OD1-CE 3.39Å; M132-S136 WeakPolarHBondContact O-CB 3.38Å; M132-S136 PolarHBondContact O-N 2.8Å; M132-S136 VanDerWaalsContact O-N 3.11Å; M132-S136 PolarHBondContact O-OG 3.43Å; M132-L227 HydrophobicContact CB-CD1 4.29Å; M132-L230 HydrophobicContact CB-CD2 4.35Å; M132-L230 HydrophobicContact CE-CD2 4.21Å; M132-L230 HydrophobicContact SD-CD2 4.47Å |
| 133 | L | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.8 | -39 | 178.5 | -66.9 | 169.2 | 0 | 0 | 0 | 112.2 | F122 L125 D129 Q130 S136 G137 L222 N224 L227 I236 | F122-L133 HydrophobicContact CD2-CD1 4.38Å; F122-L133 HydrophobicContact CE2-CB 4Å; F122-L133 HydrophobicContact CE2-CD1 3.95Å; L125-L133 HydrophobicContact CD1-CD1 3.46Å; L125-L133 VanDerWaalsContact CD1-CD1 3.46Å; D129-L133 VanDerWaalsContact O-CG 3.25Å; D129-L133 WeakPolarHBondContact O-CG 3.42Å; D129-L133 PolarHBondContact O-N 3Å; Q130-L133 PolarHBondContact O-N 2.91Å; L133-S136 PolarHBondContact O-OG 3.12Å; L133-G137 WeakPolarHBondContact O-CA 3.01Å; L133-G137 PolarHBondContact O-N 3.33Å; L133-L222 WeakPolarHBondContact CD2-O 3.29Å; L133-N224 HydrophobicContact CD2-CB 4.42Å; L133-L227 HydrophobicContact CD2-CD1 3.79Å; L133-L227 HydrophobicContact CG-CD1 4.43Å; L133-I236 HydrophobicContact CD1-CD1 4.08Å; L133-I236 HydrophobicContact CD1-CG1 4.43Å; L133-I236 HydrophobicContact CD2-CD1 4.48Å; L133-I236 HydrophobicContact CD2-CG2 4.35Å |
| 134 | I | 96.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.3 | -47.1 | 177.8 | -63.8 | 161.5 | 0 | 0 | 0 | 110.7 | L113 V116 F122 Q130 L131 S136 G137 W138 M299 F302 | L113-I134 HydrophobicContact CD2-CG2 4.32Å; V116-I134 HydrophobicContact CG1-CG1 4.24Å; F122-I134 HydrophobicContact CE1-CD1 4.11Å; F122-I134 HydrophobicContact CE2-CG1 4.48Å; F122-I134 HydrophobicContact CZ-CD1 3.75Å; F122-I134 HydrophobicContact CZ-CG1 3.74Å; Q130-I134 VanDerWaalsContact O-CG1 3.28Å; Q130-I134 WeakPolarHBondContact O-CG1 3.47Å; Q130-I134 PolarHBondContact O-N 3.48Å; L131-I134 PolarHBondContact O-N 2.88Å; I134-S136 VanDerWaalsContact C-N 3.29Å; I134-S136 PolarHBondContact O-N 3.46Å; I134-G137 PolarHBondContact O-N 2.73Å; I134-W138 WeakPolarHBondContact O-CB 3.42Å; I134-W138 PolarHBondContact O-N 3.44Å; I134-M299 HydrophobicContact CB-CE 4.09Å; I134-M299 HydrophobicContact CG2-CE 3.5Å; I134-M299 VanDerWaalsContact CG2-CE 3.5Å; I134-F302 HydrophobicContact CD1-CD1 3.71Å; I134-F302 HydrophobicContact CD1-CD2 3.86Å; I134-F302 HydrophobicContact CD1-CE1 3.58Å; I134-F302 HydrophobicContact CD1-CE2 3.74Å; I134-F302 HydrophobicContact CD1-CG 3.84Å; I134-F302 HydrophobicContact CD1-CZ 3.61Å |
| 135 | R | 94.9 | Very high | 96.5 | Very high | 111 Ų | 111 | 27.3 Ų | 27.3 | 42% | 0.419 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -59.6 | -38.5 | 179.5 | -78.9 | -174.2 | 171.4 | 143 | 1.3 | 112.8 | L131 W138 E295 M299 | L131-R135 HydrophobicContact CD1-CG 4.19Å; L131-R135 WeakPolarHBondContact O-CB 3.35Å; L131-R135 WeakPolarHBondContact O-CG 3.36Å; L131-R135 PolarHBondContact O-N 2.89Å; R135-W138 PolarHBondContact O-NE1 3.13Å; R135-E295 IonicContact NE-OE2 3.01Å; R135-M299 HydrophobicContact CG-CE 4.39Å |
| 136 | S | 95.2 | Very high | 96.7 | Very high | 39 Ų | 39 | 27 Ų | 27 | 27% | 0.273 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -82.3 | -32.1 | 177 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | M132 L133 I134 L227 | M132-S136 WeakPolarHBondContact O-CB 3.38Å; M132-S136 PolarHBondContact O-N 2.8Å; M132-S136 VanDerWaalsContact O-N 3.11Å; M132-S136 PolarHBondContact O-OG 3.43Å; L133-S136 PolarHBondContact O-OG 3.12Å; I134-S136 VanDerWaalsContact C-N 3.29Å; I134-S136 PolarHBondContact O-N 3.46Å; S136-L227 VanDerWaalsContact OG-CD1 3.23Å; S136-L227 WeakPolarHBondContact OG-CD1 3.45Å |
| 137 | G | 95.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -94 | -18.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L133 I134 A139 P140 L141 | L133-G137 WeakPolarHBondContact O-CA 3.01Å; L133-G137 PolarHBondContact O-N 3.33Å; I134-G137 PolarHBondContact O-N 2.73Å; G137-A139 PolarHBondContact O-N 3.34Å; G137-P140 WeakPolarHBondContact O-CD 3.38Å; G137-L141 VanDerWaalsContact O-CB 3.28Å; G137-L141 WeakPolarHBondContact O-CB 3.32Å; G137-L141 WeakPolarHBondContact O-CD1 3.33Å; G137-L141 WeakPolarHBondContact O-CG 3.04Å; G137-L141 PolarHBondContact O-N 3.49Å |
| 138 | W | 96.4 | Very high | 97 | Very high | 6 Ų | 6 | 20.1 Ų | 20.1 | 2% | 0.023 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.9 | -43.4 | -170.2 | 73.6 | -93.3 | 0 | 0 | 0 | 113.3 | L109 I134 R135 L142 P277 V280 A281 F285 I294 L298 | L109-W138 HydrophobicContact CD1-CE3 4.45Å; I134-W138 WeakPolarHBondContact O-CB 3.42Å; I134-W138 PolarHBondContact O-N 3.44Å; R135-W138 PolarHBondContact O-NE1 3.13Å; W138-L142 HydrophobicContact CE3-CD2 4.44Å; W138-L142 HydrophobicContact CZ3-CD2 4.09Å; W138-L142 WeakPolarHBondContact O-CB 3.48Å; W138-L142 PolarHBondContact O-N 2.86Å; W138-P277 HydrophobicContact CZ2-CB 4.06Å; W138-V280 HydrophobicContact CH2-CB 4.34Å; W138-V280 HydrophobicContact CH2-CG1 4.07Å; W138-V280 HydrophobicContact CZ3-CG1 3.85Å; W138-A281 HydrophobicContact CH2-CB 4.03Å; W138-A281 HydrophobicContact CZ2-CB 4.44Å; W138-F285 HydrophobicContact CZ3-CD2 4.4Å; W138-F285 AromaticContact CZ3-CE2 3.92Å; W138-F285 HydrophobicContact CZ3-CE2 3.92Å; W138-I294 HydrophobicContact CH2-CG1 4.33Å; W138-I294 HydrophobicContact CH2-CG2 3.83Å; W138-I294 HydrophobicContact CZ2-CG2 3.6Å; W138-I294 HydrophobicContact CZ3-CG1 4.37Å; W138-L298 HydrophobicContact CB-CD1 3.72Å; W138-L298 HydrophobicContact CD2-CD1 3.56Å; W138-L298 HydrophobicContact CE3-CD1 4.13Å; W138-L298 HydrophobicContact CG-CD1 3.33Å |
| 139 | A | 97.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 2% | 0.017 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -70.9 | -50.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G137 L141 L142 V143 P277 V280 | G137-A139 PolarHBondContact O-N 3.34Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 3.36Å; A139-L142 WeakPolarHBondContact O-CB 3.39Å; A139-L142 PolarHBondContact O-N 3.06Å; A139-V143 WeakPolarHBondContact O-CG2 3.21Å; A139-V143 PolarHBondContact O-N 3.31Å; A139-P277 HydrophobicContact CB-CB 3.69Å; A139-P277 HydrophobicContact CB-CG 4.07Å; A139-V280 HydrophobicContact CB-CB 4.26Å; A139-V280 HydrophobicContact CB-CG1 4.3Å; A139-V280 HydrophobicContact CB-CG2 4.35Å |
| 140 | P | 97.9 | Very high | 97.1 | Very high | 28 Ų | 28 | 25.4 Ų | 25.4 | 18% | 0.182 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.7 | -40.8 | 172.7 | -27.2 | 35.5 | 0 | 0 | 0 | 113.5 | G137 V143 L144 V221 L272 | G137-P140 WeakPolarHBondContact O-CD 3.38Å; P140-V143 PolarHBondContact O-N 2.99Å; P140-L144 WeakPolarHBondContact O-CB 3.44Å; P140-L144 PolarHBondContact O-N 3.02Å; P140-V221 HydrophobicContact CB-CG1 3.69Å; P140-L272 HydrophobicContact CB-CD1 4.26Å |
| 141 | L | 98.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.8 | -40.2 | 177 | -71.9 | 170.1 | 0 | 0 | 0 | 112.2 | T112 V116 G137 A139 G145 K218 V221 L222 | T112-L141 HydrophobicContact CG2-CB 3.58Å; T112-L141 HydrophobicContact CG2-CD1 4.3Å; V116-L141 HydrophobicContact CG2-CD1 4.12Å; G137-L141 VanDerWaalsContact O-CB 3.28Å; G137-L141 WeakPolarHBondContact O-CB 3.32Å; G137-L141 WeakPolarHBondContact O-CD1 3.33Å; G137-L141 WeakPolarHBondContact O-CG 3.04Å; G137-L141 PolarHBondContact O-N 3.49Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 3.36Å; L141-G145 PolarHBondContact O-N 2.75Å; L141-K218 HydrophobicContact CD2-CB 3.92Å; L141-K218 HydrophobicContact CD2-CG 4.12Å; L141-K218 WeakPolarHBondContact CD2-O 3.33Å; L141-V221 HydrophobicContact CD2-CB 3.89Å; L141-V221 HydrophobicContact CD2-CG1 3.8Å; L141-V221 HydrophobicContact CG-CB 4.42Å; L141-V221 HydrophobicContact CG-CG1 3.78Å; L141-L222 HydrophobicContact CD1-CB 4.36Å; L141-L222 HydrophobicContact CD1-CD1 4.1Å |
| 142 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.4 | -50.1 | 174.6 | 173.6 | 66.9 | 0 | 0 | 0 | 110.9 | A105 V108 L109 W138 A139 L144 G145 L146 V280 F285 | A105-L142 WeakPolarHBondContact O-CD1 3.45Å; V108-L142 HydrophobicContact CB-CD1 3.98Å; V108-L142 HydrophobicContact CG1-CD1 3.78Å; L109-L142 HydrophobicContact CB-CD1 3.94Å; L109-L142 HydrophobicContact CD1-CD1 4.34Å; W138-L142 HydrophobicContact CE3-CD2 4.44Å; W138-L142 HydrophobicContact CZ3-CD2 4.09Å; W138-L142 WeakPolarHBondContact O-CB 3.48Å; W138-L142 PolarHBondContact O-N 2.86Å; A139-L142 WeakPolarHBondContact O-CB 3.39Å; A139-L142 PolarHBondContact O-N 3.06Å; L142-L144 VanDerWaalsContact C-N 3.31Å; L142-L144 PolarHBondContact O-N 3.4Å; L142-G145 CarbonylContact O-C 3.5Å; L142-G145 WeakPolarHBondContact O-CA 3.28Å; L142-G145 PolarHBondContact O-N 2.68Å; L142-L146 WeakPolarHBondContact O-CG 3.33Å; L142-L146 PolarHBondContact O-N 3.11Å; L142-V280 HydrophobicContact CD2-CG1 3.71Å; L142-F285 HydrophobicContact CD1-CZ 4.5Å; L142-F285 HydrophobicContact CD2-CE2 3.31Å; L142-F285 HydrophobicContact CD2-CZ 3.44Å; L142-F285 VanDerWaalsContact CD2-CZ 3.44Å |
| 143 | V | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.3 | -38.7 | -177.9 | 177.9 | 0 | 0 | 0 | 0 | 111 | A139 P140 G145 L146 A147 I197 F200 L272 I275 V280 | A139-V143 WeakPolarHBondContact O-CG2 3.21Å; A139-V143 PolarHBondContact O-N 3.31Å; P140-V143 PolarHBondContact O-N 2.99Å; V143-G145 VanDerWaalsContact C-N 3.32Å; V143-G145 PolarHBondContact O-N 2.67Å; V143-L146 PolarHBondContact O-N 2.9Å; V143-A147 PolarHBondContact O-N 3.25Å; V143-A147 VanDerWaalsContact O-N 3.12Å; V143-I197 HydrophobicContact CG1-CG2 4.43Å; V143-F200 HydrophobicContact CG1-CD1 3.44Å; V143-F200 VanDerWaalsContact CG1-CD1 3.44Å; V143-F200 HydrophobicContact CG1-CE1 3.63Å; V143-F200 HydrophobicContact CG1-CG 4.38Å; V143-L272 HydrophobicContact CB-CD2 4.08Å; V143-L272 HydrophobicContact CG1-CD2 3.96Å; V143-I275 HydrophobicContact CG1-CD1 3.96Å; V143-I275 HydrophobicContact CG2-CG2 4.4Å; V143-V280 HydrophobicContact CG2-CG1 4.34Å; V143-V280 HydrophobicContact CG2-CG2 3.76Å |
| 144 | L | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.2 | -39.1 | 171 | -173.1 | 66.1 | 0 | 0 | 0 | 111.9 | P140 L142 A147 Q148 F200 Y214 L217 K218 | P140-L144 WeakPolarHBondContact O-CB 3.44Å; P140-L144 PolarHBondContact O-N 3.02Å; L142-L144 VanDerWaalsContact C-N 3.31Å; L142-L144 PolarHBondContact O-N 3.4Å; L144-A147 WeakPolarHBondContact O-CB 3.17Å; L144-A147 PolarHBondContact O-N 3.11Å; L144-Q148 PolarHBondContact O-N 3.28Å; L144-F200 HydrophobicContact CB-CZ 4.43Å; L144-F200 HydrophobicContact CD1-CZ 3.8Å; L144-Y214 HydrophobicContact CD1-CD1 3.76Å; L144-Y214 HydrophobicContact CD1-CE1 3.66Å; L144-Y214 HydrophobicContact CG-CD1 3.94Å; L144-Y214 HydrophobicContact CG-CE1 4.17Å; L144-L217 HydrophobicContact CD2-CB 3.86Å; L144-K218 HydrophobicContact CD2-CB 4.47Å; L144-K218 HydrophobicContact CD2-CG 3.78Å |
| 145 | G | 98.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.7 | -39.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V108 L141 L142 V143 A147 Q148 D149 | V108-G145 VanDerWaalsContact CG1-C 3.44Å; L141-G145 PolarHBondContact O-N 2.75Å; L142-G145 CarbonylContact O-C 3.5Å; L142-G145 WeakPolarHBondContact O-CA 3.28Å; L142-G145 PolarHBondContact O-N 2.68Å; V143-G145 VanDerWaalsContact C-N 3.32Å; V143-G145 PolarHBondContact O-N 2.67Å; G145-A147 VanDerWaalsContact C-N 3.25Å; G145-A147 PolarHBondContact O-N 3.05Å; G145-Q148 PolarHBondContact O-N 3.33Å; G145-D149 PolarHBondContact O-N 2.84Å |
| 146 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.8 | -40.2 | 173.7 | -68.6 | 174.7 | 0 | 0 | 0 | 110.5 | A105 V108 L142 V143 R150 V151 L201 F284 | A105-L146 HydrophobicContact CB-CD2 4.14Å; V108-L146 HydrophobicContact CB-CD2 4.29Å; V108-L146 HydrophobicContact CG2-CD2 4.06Å; L142-L146 WeakPolarHBondContact O-CG 3.33Å; L142-L146 PolarHBondContact O-N 3.11Å; V143-L146 PolarHBondContact O-N 2.9Å; L146-R150 PolarHBondContact O-N 3Å; L146-V151 HydrophobicContact CB-CB 4.33Å; L146-V151 HydrophobicContact CD2-CB 3.87Å; L146-V151 HydrophobicContact CD2-CG1 3.97Å; L146-V151 HydrophobicContact CD2-CG2 3.98Å; L146-V151 PolarHBondContact O-N 3.46Å; L146-L201 HydrophobicContact CB-CD2 4.02Å; L146-F284 HydrophobicContact CD1-CE1 4.3Å; L146-F284 HydrophobicContact CD1-CE2 4.03Å; L146-F284 HydrophobicContact CD1-CZ 3.89Å |
| 147 | A | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.7 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V143 L144 G145 R150 F200 L201 C204 W205 Y214 | V143-A147 PolarHBondContact O-N 3.25Å; V143-A147 VanDerWaalsContact O-N 3.12Å; L144-A147 WeakPolarHBondContact O-CB 3.17Å; L144-A147 PolarHBondContact O-N 3.11Å; G145-A147 VanDerWaalsContact C-N 3.25Å; G145-A147 PolarHBondContact O-N 3.05Å; A147-R150 PolarHBondContact O-N 2.87Å; A147-R150 VanDerWaalsContact O-N 3.15Å; A147-F200 HydrophobicContact CB-CE1 4.06Å; A147-L201 HydrophobicContact CB-CD2 3.7Å; A147-C204 HydrophobicContact CB-CB 3.78Å; A147-W205 PolarHBondContact O-NE1 3.11Å; A147-Y214 HydrophobicContact CB-CE1 4.26Å |
| 148 | Q | 97.9 | Very high | 94.9 | Very high | 35 Ų | 35 | 34.7 Ų | 34.7 | 16% | 0.164 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.3 | -44 | 179.3 | -175.4 | 176.3 | 4.3 | 0 | 0 | 112.1 | D28 L144 G145 R150 Y214 | D28-Q148 PolarHBondContact OD2-NE2 3.11Å; L144-Q148 PolarHBondContact O-N 3.28Å; G145-Q148 PolarHBondContact O-N 3.33Å; Q148-R150 PolarHBondContact O-N 3.29Å; Q148-Y214 HydrophobicContact CB-CD1 3.91Å; Q148-Y214 HydrophobicContact CB-CD2 3.96Å; Q148-Y214 HydrophobicContact CB-CE1 3.88Å; Q148-Y214 HydrophobicContact CB-CE2 3.93Å; Q148-Y214 HydrophobicContact CB-CG 3.95Å; Q148-Y214 HydrophobicContact CG-CD1 4.37Å; Q148-Y214 HydrophobicContact CG-CD2 3.71Å; Q148-Y214 HydrophobicContact CG-CE2 4.03Å; Q148-Y214 HydrophobicContact CG-CG 3.89Å |
| 149 | D | 97.4 | Very high | 93.4 | Very high | 65 Ų | 65 | 39 Ų | 39 | 35% | 0.348 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 5 | 178.7 | -80.4 | 13.9 | 0 | 0 | 0 | 112.9 | V108 K111 G145 V151 | V108-D149 HydrophobicContact CG2-CB 4.1Å; V108-D149 WeakPolarHBondContact CG2-OD2 3.35Å; K111-D149 IonicContact NZ-OD1 3.97Å; K111-D149 IonicContact NZ-OD2 3.7Å; K111-D149 PolarHBondContact NZ-OD2 3.3Å; G145-D149 PolarHBondContact O-N 2.84Å; D149-V151 HydrophobicContact CB-CG2 3.98Å; D149-V151 PolarHBondContact O-N 3.24Å |
| 150 | R | 96.6 | Very high | 91.6 | Very high | 118 Ų | 118 | 42.2 Ų | 42.2 | 45% | 0.445 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 38.2 | -179.2 | -55.3 | -69.9 | -174.8 | 159.8 | -0.7 | 112.8 | L146 A147 Q148 D152 W205 D208 | L146-R150 PolarHBondContact O-N 3Å; A147-R150 PolarHBondContact O-N 2.87Å; A147-R150 VanDerWaalsContact O-N 3.15Å; Q148-R150 PolarHBondContact O-N 3.29Å; R150-D152 PolarHBondContact O-N 3.45Å; R150-W205 VanDerWaalsContact CD-CD1 3.41Å; R150-D208 IonicContact NH2-OD1 3.67Å; R150-D208 PolarHBondContact NH2-OD1 2.96Å |
| 151 | V | 96.6 | Very high | 89.7 | Confident | 20 Ų | 20 | 43.5 Ų | 43.5 | 12% | 0.121 | 23% | 0.226 | C | C | . | . | trans | -74.7 | 108.3 | 177.3 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | A104 V108 L146 D149 | A104-V151 HydrophobicContact CB-CG1 4.07Å; A104-V151 HydrophobicContact CB-CG2 4.38Å; V108-V151 HydrophobicContact CG2-CG2 4.26Å; L146-V151 HydrophobicContact CB-CB 4.33Å; L146-V151 HydrophobicContact CD2-CB 3.87Å; L146-V151 HydrophobicContact CD2-CG1 3.97Å; L146-V151 HydrophobicContact CD2-CG2 3.98Å; L146-V151 PolarHBondContact O-N 3.46Å; D149-V151 HydrophobicContact CB-CG2 3.98Å; D149-V151 PolarHBondContact O-N 3.24Å | ||
| 152 | D | 94.3 | Very high | 87.9 | Confident | 107 Ų | 107 | 45.6 Ų | 45.6 | 57% | 0.572 | 24% | 0.241 | S | C | * | . | trans | -97.6 | 153.3 | 169.7 | -163 | 13.2 | 0 | 0 | 0 | 111 | R150 W205 | R150-D152 PolarHBondContact O-N 3.45Å; D152-W205 HydrophobicContact CB-CH2 3.9Å | ||
| 153 | F | 95.9 | Very high | 86.1 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | trans | -149.8 | 142.7 | -179.7 | 66.4 | -88.2 | 0 | 0 | 0 | 113.2 | L95 T101 T155 I194 I197 K198 L201 L283 F284 | L95-F153 HydrophobicContact CD2-CB 4.31Å; L95-F153 HydrophobicContact CD2-CD2 3.53Å; L95-F153 HydrophobicContact CD2-CE2 4.19Å; L95-F153 HydrophobicContact CD2-CG 4.18Å; T101-F153 HydrophobicContact CG2-CB 3.53Å; T101-F153 HydrophobicContact CG2-CG 4.15Å; F153-T155 HydrophobicContact CD2-CG2 3.99Å; F153-T155 HydrophobicContact CE2-CG2 3.99Å; F153-I194 HydrophobicContact CE2-CG2 4.23Å; F153-I197 HydrophobicContact CE1-CG2 3.96Å; F153-I197 HydrophobicContact CZ-CB 4.43Å; F153-I197 HydrophobicContact CZ-CG2 3.86Å; F153-K198 HydrophobicContact CE1-CG 4.39Å; F153-K198 HydrophobicContact CE2-CG 4.26Å; F153-K198 HydrophobicContact CZ-CG 3.87Å; F153-K198 WeakPolarHBondContact O-CE 3.22Å; F153-K198 PolarHBondContact O-NZ 2.95Å; F153-K198 VanDerWaalsContact O-NZ 3.12Å; F153-L201 HydrophobicContact CD1-CD1 4.24Å; F153-L201 HydrophobicContact CE1-CD1 3.73Å; F153-L283 HydrophobicContact CE2-CD2 3.91Å; F153-L283 HydrophobicContact CZ-CD2 4.13Å; F153-F284 HydrophobicContact CD1-CE1 4.04Å; F153-F284 HydrophobicContact CD1-CZ 4.12Å; F153-F284 HydrophobicContact CE1-CE1 4.06Å; F153-F284 AromaticContact CE1-CZ 3.66Å; F153-F284 HydrophobicContact CE1-CZ 3.66Å; F153-F284 HydrophobicContact CE2-CZ 4.44Å; F153-F284 HydrophobicContact CG-CE1 4.33Å; F153-F284 HydrophobicContact CZ-CE1 4.36Å; F153-F284 AromaticContact CZ-CZ 3.84Å; F153-F284 HydrophobicContact CZ-CZ 3.84Å | ||
| 154 | E | 93.8 | Very high | 84.3 | Confident | 107 Ų | 107 | 58 Ų | 58 | 50% | 0.5 | 30% | 0.304 | S | S | . | . | trans | -100.4 | 149.3 | 177.8 | -61.3 | -173.7 | 175.4 | 0 | 0 | 111.7 | R96 | R96-E154 HydrophobicContact CB-CB 4.11Å; R96-E154 VanDerWaalsContact CD-OE2 3.3Å; R96-E154 WeakPolarHBondContact CD-OE2 3.49Å; R96-E154 HydrophobicContact CG-CB 3.92Å; R96-E154 IonicContact CZ-OE2 3.05Å; R96-E154 PolarHBondContact N-O 2.85Å; R96-E154 IonicContact NE-OE2 3.18Å; R96-E154 IonicContact NH1-OE2 2.71Å; R96-E154 PolarHBondContact NH1-OE2 2.99Å | ||
| 155 | T | 92.4 | Very high | 82.6 | Confident | 27 Ų | 27 | 62.3 Ų | 62.3 | 17% | 0.166 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 148 | 179.1 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | V94 L95 R96 F153 I194 K198 | V94-T155 CarbonylContact O-C 3.59Å; V94-T155 WeakPolarHBondContact O-CA 3.22Å; V94-T155 WeakPolarHBondContact O-CB 3.46Å; L95-T155 HydrophobicContact CD2-CG2 4.18Å; R96-T155 PolarHBondContact NE-O 3.36Å; F153-T155 HydrophobicContact CD2-CG2 3.99Å; F153-T155 HydrophobicContact CE2-CG2 3.99Å; T155-I194 HydrophobicContact CG2-CD1 4.28Å; T155-I194 HydrophobicContact CG2-CG2 3.82Å; T155-K198 PolarHBondContact OG1-NZ 2.91Å; T155-K198 VanDerWaalsContact OG1-NZ 3.11Å |
| 156 | T | 89.4 | Confident | 81.1 | Confident | 59 Ų | 59 | 68 Ų | 68 | 36% | 0.362 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 134.3 | 168.2 | 33.8 | 0 | 0 | 0 | 0 | 108.8 | G93 V94 R96 | G93-T156 VanDerWaalsContact CA-O 3.29Å; G93-T156 WeakPolarHBondContact CA-O 3.21Å; V94-T156 WeakPolarHBondContact CG2-OG1 3.44Å; V94-T156 PolarHBondContact N-O 3.16Å; V94-T156 PolarHBondContact O-N 3.44Å; R96-T156 HydrophobicContact CG-CG2 3.67Å |
| 157 | E | 86.1 | Confident | 79.7 | Confident | 98 Ų | 98 | 74.2 Ų | 74.2 | 46% | 0.458 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 125.8 | 173.5 | -66.6 | -173.1 | -168.9 | 0 | 0 | 109.4 | R91 R92 V191 | R91-E157 IonicContact NH1-OE2 3.74Å; R91-E157 PolarHBondContact NH1-OE2 3.35Å; R92-E157 CarbonylContact O-C 3.45Å; R92-E157 WeakPolarHBondContact O-CA 3.5Å; E157-V191 HydrophobicContact CG-CG2 3.99Å |
| 158 | T | 72.3 | Confident | 78.3 | Confident | 46 Ų | 46 | 81.1 Ų | 81.1 | 28% | 0.282 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 114.4 | 167.7 | 55.3 | 0 | 0 | 0 | 0 | 107.4 | R92 V94 E160 | R92-T158 PolarHBondContact O-N 3.44Å; R92-T158 PolarHBondContact O-OG1 3.11Å; V94-T158 HydrophobicContact CG2-CG2 4.19Å; T158-E160 PolarHBondContact O-N 2.82Å |
| 159 | V | 65.3 | Low | 76.8 | Confident | 98 Ų | 98 | 83.2 Ų | 83.2 | 59% | 0.594 | 43% | 0.428 | S | S | * | . | trans | -80.3 | 96.4 | 171.9 | -175.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 160 | E | 59.2 | Low | 74.6 | Confident | 68 Ų | 68 | 82.7 Ų | 82.7 | 32% | 0.318 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 125.9 | 166.4 | -77.7 | -169 | 147 | 0 | 0 | 108.1 | R92 T158 S162 | R92-E160 IonicContact CZ-OE2 2.91Å; R92-E160 IonicContact NE-OE2 3.44Å; R92-E160 PolarHBondContact NE-OE2 2.86Å; R92-E160 IonicContact NH2-OE2 3.9Å; R92-E160 PolarHBondContact NH2-OE2 3.34Å; T158-E160 PolarHBondContact O-N 2.82Å; E160-S162 PolarHBondContact O-N 2.89Å |
| 161 | P | 57.7 | Low | 72.5 | Confident | 55 Ų | 55 | 82.2 Ų | 82.2 | 36% | 0.357 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 134.2 | 176 | 22.5 | -30.7 | 0 | 0 | 0 | 109 | Q165 R166 | P161-Q165 HydrophobicContact CB-CB 4.22Å; P161-Q165 HydrophobicContact CB-CG 4.09Å; P161-R166 HydrophobicContact CB-CG 4.06Å; P161-R166 HydrophobicContact CG-CG 3.81Å |
| 162 | S | 61.7 | Low | 70 | Confident | 48 Ų | 48 | 85.9 Ų | 85.9 | 34% | 0.336 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 155.5 | -178.9 | 72.9 | 0 | 0 | 0 | 0 | 110.5 | E160 L164 Q165 R166 | E160-S162 PolarHBondContact O-N 2.89Å; S162-L164 PolarHBondContact O-N 3.27Å; S162-Q165 WeakPolarHBondContact O-CB 3.14Å; S162-Q165 PolarHBondContact O-N 3.22Å; S162-Q165 VanDerWaalsContact OG-CB 3.27Å; S162-Q165 WeakPolarHBondContact OG-CB 3.28Å; S162-Q165 PolarHBondContact OG-N 3.27Å; S162-R166 PolarHBondContact O-N 2.94Å |
| 163 | M | 59.7 | Low | 68 | Low | 139 Ų | 139 | 85 Ų | 85 | 69% | 0.685 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -54.2 | -39.6 | 176.7 | -68 | -166.4 | -55.7 | 0 | 0 | 111.4 | R166 I167 | M163-R166 PolarHBondContact O-N 3.34Å; M163-I167 WeakPolarHBondContact O-CD1 3.38Å; M163-I167 VanDerWaalsContact O-CG1 3.22Å; M163-I167 WeakPolarHBondContact O-CG1 3.41Å; M163-I167 PolarHBondContact O-N 3.1Å |
| 164 | L | 60.9 | Low | 65.5 | Low | 122 Ų | 122 | 96 Ų | 96 | 64% | 0.639 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.4 | -43.8 | 174.7 | -65.8 | -178.4 | 0 | 0 | 0 | 112.2 | S162 R166 I167 L168 | S162-L164 PolarHBondContact O-N 3.27Å; L164-R166 VanDerWaalsContact C-N 3.3Å; L164-R166 PolarHBondContact O-N 2.83Å; L164-I167 PolarHBondContact O-N 2.78Å; L164-L168 VanDerWaalsContact O-CB 3.28Å; L164-L168 WeakPolarHBondContact O-CB 3.46Å; L164-L168 WeakPolarHBondContact O-CG 3.48Å; L164-L168 PolarHBondContact O-N 2.88Å |
| 165 | Q | 61.8 | Low | 63 | Low | 91 Ų | 91 | 99.7 Ų | 99.7 | 43% | 0.425 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 176.1 | -171.9 | 176.4 | 4.8 | 0 | 0 | 111.1 | P161 S162 L168 T169 | P161-Q165 HydrophobicContact CB-CB 4.22Å; P161-Q165 HydrophobicContact CB-CG 4.09Å; S162-Q165 WeakPolarHBondContact O-CB 3.14Å; S162-Q165 PolarHBondContact O-N 3.22Å; S162-Q165 VanDerWaalsContact OG-CB 3.27Å; S162-Q165 WeakPolarHBondContact OG-CB 3.28Å; S162-Q165 PolarHBondContact OG-N 3.27Å; Q165-L168 PolarHBondContact O-N 3.43Å; Q165-T169 HydrophobicContact CG-CG2 4.08Å; Q165-T169 WeakPolarHBondContact O-CB 3.23Å; Q165-T169 WeakPolarHBondContact O-CG2 3.44Å; Q165-T169 PolarHBondContact O-N 2.86Å; Q165-T169 PolarHBondContact O-OG1 3.33Å |
| 166 | R | 66.6 | Low | 60.5 | Low | 121 Ų | 121 | 100.6 Ų | 100.6 | 46% | 0.457 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 175.2 | -78.1 | -173.1 | -73 | 167.9 | -2.8 | 113.1 | P161 S162 M163 L164 G170 | P161-R166 HydrophobicContact CB-CG 4.06Å; P161-R166 HydrophobicContact CG-CG 3.81Å; S162-R166 PolarHBondContact O-N 2.94Å; M163-R166 PolarHBondContact O-N 3.34Å; L164-R166 VanDerWaalsContact C-N 3.3Å; L164-R166 PolarHBondContact O-N 2.83Å; R166-G170 PolarHBondContact O-N 3.41Å |
| 167 | I | 70.6 | Confident | 58 | Low | 130 Ų | 130 | 106.8 Ų | 106.8 | 67% | 0.667 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65 | -42.7 | 176.9 | -67.2 | 162.9 | 0 | 0 | 0 | 110.3 | M163 L164 | M163-I167 WeakPolarHBondContact O-CD1 3.38Å; M163-I167 VanDerWaalsContact O-CG1 3.22Å; M163-I167 WeakPolarHBondContact O-CG1 3.41Å; M163-I167 PolarHBondContact O-N 3.1Å; L164-I167 PolarHBondContact O-N 2.78Å |
| 168 | L | 67.4 | Low | 55.7 | Low | 146 Ų | 146 | 109.6 Ų | 109.6 | 76% | 0.764 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -76.4 | -35.5 | -176 | -69.5 | 169.6 | 0 | 0 | 0 | 113.5 | L164 Q165 G170 | L164-L168 VanDerWaalsContact O-CB 3.28Å; L164-L168 WeakPolarHBondContact O-CB 3.46Å; L164-L168 WeakPolarHBondContact O-CG 3.48Å; L164-L168 PolarHBondContact O-N 2.88Å; Q165-L168 PolarHBondContact O-N 3.43Å; L168-G170 VanDerWaalsContact C-N 3.3Å |
| 169 | T | 68.3 | Low | 54.2 | Low | 79 Ų | 79 | 113 Ų | 113 | 49% | 0.485 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -85 | -4.2 | 180 | 61.8 | 0 | 0 | 0 | 0 | 113 | Q165 V171 | Q165-T169 HydrophobicContact CG-CG2 4.08Å; Q165-T169 WeakPolarHBondContact O-CB 3.23Å; Q165-T169 WeakPolarHBondContact O-CG2 3.44Å; Q165-T169 PolarHBondContact O-N 2.86Å; Q165-T169 PolarHBondContact O-OG1 3.33Å; T169-V171 PolarHBondContact O-N 2.91Å |
| 170 | G | 51 | Low | 52.7 | Low | 53 Ų | 53 | 113.6 Ų | 113.6 | 55% | 0.546 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 56.5 | 19.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115 | R166 L168 P172 | R166-G170 PolarHBondContact O-N 3.41Å; L168-G170 VanDerWaalsContact C-N 3.3Å; G170-P172 WeakPolarHBondContact O-CD 3.39Å; G170-P172 VanDerWaalsContact O-N 3.07Å |
| 171 | V | 50.8 | Low | 51.4 | Low | 109 Ų | 109 | 114.1 Ų | 114.1 | 66% | 0.661 | 63% | 0.63 | S | S | * | * | trans | -67.5 | 107.7 | -177.3 | 176 | 0 | 0 | 0 | 0 | 107.4 | T169 | T169-V171 PolarHBondContact O-N 2.91Š| ||
| 172 | P | 45.9 | Very low | 50.5 | Low | 96 Ų | 96 | 118 Ų | 118 | 62% | 0.623 | 64% | 0.643 | S | S | * | * | trans | -70.8 | 138.4 | 175.9 | -7.3 | 26 | 0 | 0 | 0 | 107.6 | G170 R174 | G170-P172 WeakPolarHBondContact O-CD 3.39Å; G170-P172 VanDerWaalsContact O-N 3.07Å; P172-R174 PolarHBondContact O-N 3.4Å | ||
| 173 | D | 51.3 | Low | 49.3 | Very low | 89 Ų | 89 | 121.9 Ų | 121.9 | 48% | 0.476 | 67% | 0.665 | S | S | . | * | trans | -70.6 | 75.5 | -177.6 | -153 | -14 | 0 | 0 | 0 | 110.1 | Q175 S176 | D173-Q175 PolarHBondContact O-N 3.01Å; D173-S176 WeakPolarHBondContact CB-OG 3.29Å; D173-S176 PolarHBondContact O-N 3.5Å; D173-S176 WeakPolarHBondContact OD1-CB 3.26Å; D173-S176 PolarHBondContact OD1-OG 2.99Å; D173-S176 WeakPolarHBondContact OD2-CB 3.37Å; D173-S176 PolarHBondContact OD2-OG 3.1Å | ||
| 174 | R | 43.3 | Very low | 48.6 | Very low | 234 Ų | 234 | 125.2 Ų | 125.2 | 88% | 0.883 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 11.4 | -177.7 | -78.7 | -147.2 | 168 | -174.2 | -2 | 114.5 | P172 | P172-R174 PolarHBondContact O-N 3.4Š|
| 175 | Q | 40.5 | Very low | 48.1 | Very low | 185 Ų | 185 | 122.5 Ų | 122.5 | 86% | 0.864 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.8 | 8.9 | 171.4 | -140.6 | 68.2 | 51.2 | 0 | 0 | 114.5 | D173 | D173-Q175 PolarHBondContact O-N 3.01Š|
| 176 | S | 41.1 | Very low | 47.9 | Very low | 46 Ų | 46 | 119.8 Ų | 119.8 | 32% | 0.322 | 65% | 0.651 | S | S | . | * | trans | -115 | 33.3 | -176.3 | 83.1 | 0 | 0 | 0 | 0 | 115.2 | D173 | D173-S176 WeakPolarHBondContact CB-OG 3.29Å; D173-S176 PolarHBondContact O-N 3.5Å; D173-S176 WeakPolarHBondContact OD1-CB 3.26Å; D173-S176 PolarHBondContact OD1-OG 2.99Å; D173-S176 WeakPolarHBondContact OD2-CB 3.37Å; D173-S176 PolarHBondContact OD2-OG 3.1Å | ||
| 177 | E | 36.4 | Very low | 48 | Very low | 189 Ų | 189 | 118.8 Ų | 118.8 | 88% | 0.883 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -96.9 | 10.5 | 175 | -85.4 | -169.5 | 160 | 0 | 0 | 114.7 | ||
| 178 | I | 37.4 | Very low | 48.5 | Very low | 157 Ų | 157 | 113.6 Ų | 113.6 | 81% | 0.805 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -111.5 | -13 | 179.9 | -59.5 | -177.2 | 0 | 0 | 0 | 114.9 | ||
| 179 | L | 40.3 | Very low | 49.6 | Very low | 117 Ų | 117 | 106.9 Ų | 106.9 | 61% | 0.613 | 60% | 0.602 | S | S | * | * | trans | -139.5 | 50.2 | -174.5 | -64.1 | 171.1 | 0 | 0 | 0 | 114.4 | G181 | L179-G181 PolarHBondContact O-N 3.15Š| ||
| 180 | A | 34.3 | Very low | 50.7 | Low | 112 Ų | 112 | 105.2 Ų | 105.2 | 93% | 0.926 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 15.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 181 | G | 33.2 | Very low | 52.7 | Low | 78 Ų | 78 | 103.6 Ų | 103.6 | 80% | 0.804 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | -3.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L179 | L179-G181 PolarHBondContact O-N 3.15Š|
| 182 | Q | 37.6 | Very low | 54.6 | Low | 137 Ų | 137 | 103.2 Ų | 103.2 | 64% | 0.64 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -110.2 | 124.1 | 176.8 | -76.3 | 172 | -22.2 | 0 | 0 | 108.9 | R184 | Q182-R184 PolarHBondContact O-N 3.18Å; Q182-R184 VanDerWaalsContact O-N 3.1Å |
| 183 | T | 37.7 | Very low | 57 | Low | 129 Ų | 129 | 101.3 Ų | 101.3 | 79% | 0.791 | 56% | 0.555 | S | S | * | * | trans | -33.7 | 117.1 | 175 | -54.2 | 0 | 0 | 0 | 0 | 110.7 | V185 | T183-V185 HydrophobicContact CG2-CG2 4.34Å; T183-V185 WeakPolarHBondContact O-CG2 3.25Å; T183-V185 PolarHBondContact O-N 3.29Å | ||
| 184 | R | 44.4 | Very low | 59.1 | Low | 209 Ų | 209 | 97.2 Ų | 97.2 | 79% | 0.789 | 53% | 0.533 | S | S | * | . | trans | -60 | 84.8 | 175.8 | -73 | 178.6 | 164.2 | 176.4 | -8.4 | 109.5 | Q182 A186 | Q182-R184 PolarHBondContact O-N 3.18Å; Q182-R184 VanDerWaalsContact O-N 3.1Å; R184-A186 PolarHBondContact O-N 3.24Å | ||
| 185 | V | 51 | Low | 61.5 | Low | 65 Ų | 65 | 91.5 Ų | 91.5 | 39% | 0.394 | 52% | 0.517 | S | S | . | . | trans | -79.8 | 111.8 | 174.5 | -174.3 | 0 | 0 | 0 | 0 | 107 | T183 V187 | T183-V185 HydrophobicContact CG2-CG2 4.34Å; T183-V185 WeakPolarHBondContact O-CG2 3.25Å; T183-V185 PolarHBondContact O-N 3.29Å; V185-V187 PolarHBondContact O-N 2.92Å | ||
| 186 | A | 57.3 | Low | 64.2 | Low | 34 Ų | 34 | 84 Ų | 84 | 28% | 0.281 | 49% | 0.486 | S | S | . | . | trans | -53.1 | 138.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | R92 R184 G188 | R92-A186 VanDerWaalsContact NH2-CB 3.28Å; R184-A186 PolarHBondContact O-N 3.24Å; A186-G188 PolarHBondContact O-N 3.19Å | ||
| 187 | V | 68.4 | Low | 67 | Low | 101 Ų | 101 | 81.8 Ų | 81.8 | 61% | 0.612 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -75.5 | 115.2 | -176.3 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | R92 V94 V185 | R92-V187 VanDerWaalsContact CD-O 3.29Å; R92-V187 WeakPolarHBondContact CD-O 3.31Å; V94-V187 HydrophobicContact CG1-CG1 4.29Å; V185-V187 PolarHBondContact O-N 2.92Å |
| 188 | G | 81.9 | Confident | 69.9 | Low | 21 Ų | 21 | 74.9 Ų | 74.9 | 22% | 0.216 | 44% | 0.438 | C | S | . | . | S | Bend | trans | 99.4 | 172.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | G93 A186 | G93-G188 WeakPolarHBondContact O-CA 3.5Å; A186-G188 PolarHBondContact O-N 3.19Å |
| 189 | V | 90.1 | Very high | 72.8 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 2% | 0.024 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 150.9 | -171.9 | 176.8 | 0 | 0 | 0 | 0 | 109.7 | R92 G93 V191 D193 I194 V279 Q282 L283 | R92-V189 CarbonylContact C-O 3.42Å; R92-V189 WeakPolarHBondContact CA-O 3.35Å; G93-V189 PolarHBondContact N-O 3.43Å; G93-V189 PolarHBondContact O-N 3.2Å; V189-V191 PolarHBondContact O-N 3.06Å; V189-D193 HydrophobicContact CG1-CB 4.18Å; V189-I194 HydrophobicContact CB-CD1 4.2Å; V189-I194 HydrophobicContact CB-CG1 4.24Å; V189-I194 HydrophobicContact CG1-CG1 4.09Å; V189-V279 HydrophobicContact CG1-CB 4.3Å; V189-V279 HydrophobicContact CG1-CG1 3.54Å; V189-V279 HydrophobicContact CG1-CG2 4.31Å; V189-Q282 HydrophobicContact CG2-CB 3.66Å; V189-L283 HydrophobicContact CG2-CB 4.12Å; V189-L283 HydrophobicContact CG2-CD1 4.37Å |
| 190 | S | 91.2 | Very high | 75.5 | Confident | 45 Ų | 45 | 63.9 Ų | 63.9 | 32% | 0.315 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 134.6 | 176.8 | -175 | 0 | 0 | 0 | 0 | 111.3 | V192 D193 I194 | S190-V192 PolarHBondContact O-N 3.41Å; S190-D193 WeakPolarHBondContact CB-OD2 3.28Å; S190-D193 PolarHBondContact O-N 2.83Å; S190-D193 VanDerWaalsContact O-N 3.11Å; S190-I194 WeakPolarHBondContact O-CG1 3.44Å; S190-I194 PolarHBondContact O-N 3.29Å; S190-I194 VanDerWaalsContact O-N 3.09Å |
| 191 | V | 91.5 | Very high | 78.6 | Confident | 18 Ų | 18 | 58.6 Ų | 58.6 | 11% | 0.109 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.9 | -36.3 | 176.5 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | R91 E157 V189 D193 I194 E195 | R91-V191 HydrophobicContact CB-CB 4.28Å; R91-V191 HydrophobicContact CB-CG2 3.73Å; R91-V191 WeakPolarHBondContact O-CG2 3.37Å; R91-V191 PolarHBondContact O-N 3.48Å; R91-V191 VanDerWaalsContact O-N 3.12Å; E157-V191 HydrophobicContact CG-CG2 3.99Å; V189-V191 PolarHBondContact O-N 3.06Å; V191-D193 VanDerWaalsContact C-N 3.31Å; V191-D193 PolarHBondContact O-N 3.08Å; V191-I194 WeakPolarHBondContact O-CB 3.34Å; V191-I194 PolarHBondContact O-N 3.44Å; V191-E195 HydrophobicContact CG1-CG 4.22Å; V191-E195 WeakPolarHBondContact O-CB 3.34Å; V191-E195 WeakPolarHBondContact O-CG 3.49Å; V191-E195 PolarHBondContact O-N 3.45Å |
| 192 | V | 92.8 | Very high | 81.7 | Confident | 101 Ų | 101 | 61.3 Ų | 61.3 | 61% | 0.612 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60.5 | -41.2 | 177 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | S190 E195 A196 | S190-V192 PolarHBondContact O-N 3.41Å; V192-E195 PolarHBondContact O-N 3Å; V192-A196 PolarHBondContact O-N 3.38Å |
| 193 | D | 94.8 | Very high | 84.6 | Confident | 56 Ų | 56 | 58 Ų | 58 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -71.9 | -37 | 179.9 | -60.3 | -36.3 | 0 | 0 | 0 | 111.2 | V189 S190 V191 E195 A196 I197 V279 | V189-D193 HydrophobicContact CG1-CB 4.18Å; S190-D193 WeakPolarHBondContact CB-OD2 3.28Å; S190-D193 PolarHBondContact O-N 2.83Å; S190-D193 VanDerWaalsContact O-N 3.11Å; V191-D193 VanDerWaalsContact C-N 3.31Å; V191-D193 PolarHBondContact O-N 3.08Å; D193-E195 VanDerWaalsContact C-N 3.35Å; D193-A196 WeakPolarHBondContact O-CB 3.44Å; D193-A196 PolarHBondContact O-N 3.28Å; D193-I197 WeakPolarHBondContact O-CG1 3.49Å; D193-I197 PolarHBondContact O-N 3.2Å; D193-I197 VanDerWaalsContact O-N 3.17Å; D193-V279 HydrophobicContact CB-CB 4.3Å; D193-V279 HydrophobicContact CB-CG1 3.52Å; D193-V279 HydrophobicContact CB-CG2 3.8Å; D193-V279 WeakPolarHBondContact OD2-CG2 3.47Å |
| 194 | I | 95.2 | Very high | 87.4 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.015 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | 173 | -67.8 | 167.3 | 0 | 0 | 0 | 110.3 | F153 T155 V189 S190 V191 A196 I197 K198 L283 | F153-I194 HydrophobicContact CE2-CG2 4.23Å; T155-I194 HydrophobicContact CG2-CD1 4.28Å; T155-I194 HydrophobicContact CG2-CG2 3.82Å; V189-I194 HydrophobicContact CB-CD1 4.2Å; V189-I194 HydrophobicContact CB-CG1 4.24Å; V189-I194 HydrophobicContact CG1-CG1 4.09Å; S190-I194 WeakPolarHBondContact O-CG1 3.44Å; S190-I194 PolarHBondContact O-N 3.29Å; S190-I194 VanDerWaalsContact O-N 3.09Å; V191-I194 WeakPolarHBondContact O-CB 3.34Å; V191-I194 PolarHBondContact O-N 3.44Å; I194-A196 VanDerWaalsContact C-N 3.33Å; I194-I197 PolarHBondContact O-N 3.12Å; I194-K198 HydrophobicContact CG2-CD 4.22Å; I194-K198 WeakPolarHBondContact O-CG 3.48Å; I194-K198 PolarHBondContact O-N 3.34Å; I194-L283 HydrophobicContact CD1-CD1 4.43Å; I194-L283 HydrophobicContact CG1-CD1 4.36Å; I194-L283 HydrophobicContact CG1-CD2 4.21Å |
| 195 | E | 95.4 | Very high | 90 | Very high | 114 Ų | 114 | 44.5 Ų | 44.5 | 53% | 0.533 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 177 | -76 | 177 | 173 | 0 | 0 | 111.9 | V191 V192 D193 I197 K198 A199 | V191-E195 HydrophobicContact CG1-CG 4.22Å; V191-E195 WeakPolarHBondContact O-CB 3.34Å; V191-E195 WeakPolarHBondContact O-CG 3.49Å; V191-E195 PolarHBondContact O-N 3.45Å; V192-E195 PolarHBondContact O-N 3Å; D193-E195 VanDerWaalsContact C-N 3.35Å; E195-I197 PolarHBondContact O-N 2.93Å; E195-K198 PolarHBondContact O-N 3.32Å; E195-A199 WeakPolarHBondContact O-CB 3.45Å; E195-A199 PolarHBondContact O-N 3.03Å |
| 196 | A | 97.3 | Very high | 92.2 | Very high | 28 Ų | 28 | 45.6 Ų | 45.6 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | V192 D193 I194 A199 F200 I275 | V192-A196 PolarHBondContact O-N 3.38Å; D193-A196 WeakPolarHBondContact O-CB 3.44Å; D193-A196 PolarHBondContact O-N 3.28Å; I194-A196 VanDerWaalsContact C-N 3.33Å; A196-A199 PolarHBondContact O-N 2.94Å; A196-F200 PolarHBondContact O-N 2.9Å; A196-I275 HydrophobicContact CB-CG1 4.42Å |
| 197 | I | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -50.5 | 174.6 | -63.6 | 165.2 | 0 | 0 | 0 | 110.1 | V143 F153 D193 I194 E195 A199 F200 L201 I275 V279 V280 L283 F284 | V143-I197 HydrophobicContact CG1-CG2 4.43Å; F153-I197 HydrophobicContact CE1-CG2 3.96Å; F153-I197 HydrophobicContact CZ-CB 4.43Å; F153-I197 HydrophobicContact CZ-CG2 3.86Å; D193-I197 WeakPolarHBondContact O-CG1 3.49Å; D193-I197 PolarHBondContact O-N 3.2Å; D193-I197 VanDerWaalsContact O-N 3.17Å; I194-I197 PolarHBondContact O-N 3.12Å; E195-I197 PolarHBondContact O-N 2.93Å; I197-A199 VanDerWaalsContact C-N 3.32Å; I197-A199 PolarHBondContact O-N 3.39Å; I197-F200 WeakPolarHBondContact O-CB 3.46Å; I197-F200 PolarHBondContact O-N 3.12Å; I197-L201 HydrophobicContact CG2-CD1 4.4Å; I197-L201 HydrophobicContact CG2-CG 4.49Å; I197-L201 WeakPolarHBondContact O-CG 3.39Å; I197-L201 PolarHBondContact O-N 3.42Å; I197-I275 HydrophobicContact CB-CD1 4.48Å; I197-I275 HydrophobicContact CD1-CG2 4.26Å; I197-I275 HydrophobicContact CG1-CD1 4.05Å; I197-I275 HydrophobicContact CG1-CG1 4.18Å; I197-I275 HydrophobicContact CG1-CG2 3.72Å; I197-V279 HydrophobicContact CD1-CG1 3.87Å; I197-V280 HydrophobicContact CD1-CG2 4.42Å; I197-L283 HydrophobicContact CD1-CD2 3.99Å; I197-F284 HydrophobicContact CD1-CE2 4.2Å; I197-F284 HydrophobicContact CG2-CE2 4.46Å; I197-F284 HydrophobicContact CG2-CZ 4.34Å |
| 198 | K | 97.7 | Very high | 95.3 | Very high | 43 Ų | 43 | 44.9 Ų | 44.9 | 19% | 0.187 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 179.7 | -74.2 | -177.7 | 170.7 | -176.7 | 0 | 112.6 | F153 T155 I194 E195 L201 K202 | F153-K198 HydrophobicContact CE1-CG 4.39Å; F153-K198 HydrophobicContact CE2-CG 4.26Å; F153-K198 HydrophobicContact CZ-CG 3.87Å; F153-K198 WeakPolarHBondContact O-CE 3.22Å; F153-K198 PolarHBondContact O-NZ 2.95Å; F153-K198 VanDerWaalsContact O-NZ 3.12Å; T155-K198 PolarHBondContact OG1-NZ 2.91Å; T155-K198 VanDerWaalsContact OG1-NZ 3.11Å; I194-K198 HydrophobicContact CG2-CD 4.22Å; I194-K198 WeakPolarHBondContact O-CG 3.48Å; I194-K198 PolarHBondContact O-N 3.34Å; E195-K198 PolarHBondContact O-N 3.32Å; K198-L201 PolarHBondContact O-N 2.8Å; K198-K202 WeakPolarHBondContact O-CB 3.06Å; K198-K202 VanDerWaalsContact O-CG 3.29Å; K198-K202 WeakPolarHBondContact O-CG 3.31Å; K198-K202 PolarHBondContact O-N 3.48Å |
| 199 | A | 98.1 | Very high | 96 | Very high | 44 Ų | 44 | 44.2 Ų | 44.2 | 36% | 0.364 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E195 A196 I197 K203 M271 | E195-A199 WeakPolarHBondContact O-CB 3.45Å; E195-A199 PolarHBondContact O-N 3.03Å; A196-A199 PolarHBondContact O-N 2.94Å; I197-A199 VanDerWaalsContact C-N 3.32Å; I197-A199 PolarHBondContact O-N 3.39Å; A199-K203 VanDerWaalsContact O-CB 3.31Å; A199-K203 WeakPolarHBondContact O-CB 3.5Å; A199-K203 PolarHBondContact O-N 3.21Å; A199-M271 HydrophobicContact CB-CE 3.99Å |
| 200 | F | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -49.4 | 173.7 | 169.7 | -94.7 | 0 | 0 | 0 | 111.9 | V143 L144 A147 A196 I197 K202 K203 C204 A268 M271 L272 I275 | V143-F200 HydrophobicContact CG1-CD1 3.44Å; V143-F200 VanDerWaalsContact CG1-CD1 3.44Å; V143-F200 HydrophobicContact CG1-CE1 3.63Å; V143-F200 HydrophobicContact CG1-CG 4.38Å; L144-F200 HydrophobicContact CB-CZ 4.43Å; L144-F200 HydrophobicContact CD1-CZ 3.8Å; A147-F200 HydrophobicContact CB-CE1 4.06Å; A196-F200 PolarHBondContact O-N 2.9Å; I197-F200 WeakPolarHBondContact O-CB 3.46Å; I197-F200 PolarHBondContact O-N 3.12Å; F200-K202 PolarHBondContact O-N 2.83Å; F200-K203 WeakPolarHBondContact O-CB 3.37Å; F200-K203 PolarHBondContact O-N 3.47Å; F200-K203 VanDerWaalsContact O-N 3.14Å; F200-C204 WeakPolarHBondContact CZ-SG 3.33Å; F200-C204 PolarHBondContact O-N 3.43Å; F200-A268 WeakPolarHBondContact CD2-O 3.18Å; F200-A268 VanDerWaalsContact CE2-O 3.27Å; F200-A268 WeakPolarHBondContact CE2-O 3.39Å; F200-M271 HydrophobicContact CB-CE 4.45Å; F200-M271 HydrophobicContact CD2-CB 4.06Å; F200-L272 HydrophobicContact CD1-CD2 4.09Å; F200-L272 HydrophobicContact CD2-CD2 3.91Å; F200-L272 HydrophobicContact CD2-CG 4.02Å; F200-L272 HydrophobicContact CE1-CD2 3.77Å; F200-L272 HydrophobicContact CE2-CD1 4.11Å; F200-L272 HydrophobicContact CE2-CD2 3.56Å; F200-L272 HydrophobicContact CE2-CG 3.51Å; F200-L272 HydrophobicContact CG-CD2 4.15Å; F200-L272 HydrophobicContact CZ-CD1 4.15Å; F200-L272 HydrophobicContact CZ-CD2 3.47Å; F200-L272 VanDerWaalsContact CZ-CD2 3.47Å; F200-L272 HydrophobicContact CZ-CG 3.83Å; F200-I275 HydrophobicContact CB-CD1 3.96Å; F200-I275 HydrophobicContact CG-CD1 4.28Å |
| 201 | L | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.6 | -50.4 | 179.2 | -63.8 | -177.5 | 0 | 0 | 0 | 111.3 | L146 A147 F153 I197 K198 K203 C204 W205 | L146-L201 HydrophobicContact CB-CD2 4.02Å; A147-L201 HydrophobicContact CB-CD2 3.7Å; F153-L201 HydrophobicContact CD1-CD1 4.24Å; F153-L201 HydrophobicContact CE1-CD1 3.73Å; I197-L201 HydrophobicContact CG2-CD1 4.4Å; I197-L201 HydrophobicContact CG2-CG 4.49Å; I197-L201 WeakPolarHBondContact O-CG 3.39Å; I197-L201 PolarHBondContact O-N 3.42Å; K198-L201 PolarHBondContact O-N 2.8Å; L201-K203 VanDerWaalsContact C-N 3.29Å; L201-K203 PolarHBondContact O-N 2.97Å; L201-C204 PolarHBondContact O-N 3.06Å; L201-W205 HydrophobicContact CB-CH2 3.93Å; L201-W205 HydrophobicContact CB-CZ2 3.85Å; L201-W205 HydrophobicContact CB-CZ3 4.33Å; L201-W205 HydrophobicContact CD1-CH2 4.32Å; L201-W205 HydrophobicContact CD1-CZ2 4.35Å; L201-W205 VanDerWaalsContact O-CD2 3.27Å; L201-W205 PolarHBondContact O-N 3.36Å |
| 202 | K | 98.1 | Very high | 96.4 | Very high | 135 Ų | 135 | 52.2 Ų | 52.2 | 59% | 0.587 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.3 | -39.4 | 176.5 | -71.7 | 176 | -178.5 | -177.2 | 0 | 112.2 | K198 F200 W205 S206 | K198-K202 WeakPolarHBondContact O-CB 3.06Å; K198-K202 VanDerWaalsContact O-CG 3.29Å; K198-K202 WeakPolarHBondContact O-CG 3.31Å; K198-K202 PolarHBondContact O-N 3.48Å; F200-K202 PolarHBondContact O-N 2.83Å; K202-W205 HydrophobicContact CG-CE3 4.32Å; K202-W205 HydrophobicContact CG-CZ3 4.37Å; K202-W205 PolarHBondContact O-N 3.39Å; K202-S206 PolarHBondContact O-N 3.3Å; K202-S206 PolarHBondContact O-OG 2.98Å |
| 203 | K | 98.1 | Very high | 96.6 | Very high | 67 Ų | 67 | 47.4 Ų | 47.4 | 29% | 0.291 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.3 | -50.5 | 177.2 | -179.3 | 59.9 | 175.7 | 178.1 | 0 | 110.9 | A199 F200 L201 W205 S206 V207 A268 M271 | A199-K203 VanDerWaalsContact O-CB 3.31Å; A199-K203 WeakPolarHBondContact O-CB 3.5Å; A199-K203 PolarHBondContact O-N 3.21Å; F200-K203 WeakPolarHBondContact O-CB 3.37Å; F200-K203 PolarHBondContact O-N 3.47Å; F200-K203 VanDerWaalsContact O-N 3.14Å; L201-K203 VanDerWaalsContact C-N 3.29Å; L201-K203 PolarHBondContact O-N 2.97Å; K203-W205 VanDerWaalsContact C-N 3.26Å; K203-W205 PolarHBondContact O-N 3.37Å; K203-S206 PolarHBondContact O-N 3.27Å; K203-S206 PolarHBondContact O-OG 2.94Å; K203-V207 HydrophobicContact CD-CG2 4.26Å; K203-V207 WeakPolarHBondContact O-CG2 3.42Å; K203-V207 PolarHBondContact O-N 3.34Å; K203-V207 VanDerWaalsContact O-N 3.12Å; K203-A268 HydrophobicContact CG-CB 3.98Å; K203-M271 HydrophobicContact CB-CE 4.31Å; K203-M271 HydrophobicContact CB-SD 3.85Å; K203-M271 HydrophobicContact CG-SD 3.76Å |
| 204 | C | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.4 | -43.3 | 175.2 | -73.4 | 0 | 0 | 0 | 0 | 111.9 | A147 F200 L201 S206 V207 D208 I209 | A147-C204 HydrophobicContact CB-CB 3.78Å; F200-C204 WeakPolarHBondContact CZ-SG 3.33Å; F200-C204 PolarHBondContact O-N 3.43Å; L201-C204 PolarHBondContact O-N 3.06Å; C204-S206 PolarHBondContact O-N 3.05Å; C204-V207 PolarHBondContact O-N 3.04Å; C204-D208 PolarHBondContact O-N 2.71Å; C204-I209 HydrophobicContact CB-CD1 3.92Å |
| 205 | W | 97.9 | Very high | 96.7 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 20% | 0.201 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.7 | -34.9 | 180 | -61.5 | -19.3 | 0 | 0 | 0 | 113.7 | A147 R150 D152 L201 K202 K203 D208 | A147-W205 PolarHBondContact O-NE1 3.11Å; R150-W205 VanDerWaalsContact CD-CD1 3.41Å; D152-W205 HydrophobicContact CB-CH2 3.9Å; L201-W205 HydrophobicContact CB-CH2 3.93Å; L201-W205 HydrophobicContact CB-CZ2 3.85Å; L201-W205 HydrophobicContact CB-CZ3 4.33Å; L201-W205 HydrophobicContact CD1-CH2 4.32Å; L201-W205 HydrophobicContact CD1-CZ2 4.35Å; L201-W205 VanDerWaalsContact O-CD2 3.27Å; L201-W205 PolarHBondContact O-N 3.36Å; K202-W205 HydrophobicContact CG-CE3 4.32Å; K202-W205 HydrophobicContact CG-CZ3 4.37Å; K202-W205 PolarHBondContact O-N 3.39Å; K203-W205 VanDerWaalsContact C-N 3.26Å; K203-W205 PolarHBondContact O-N 3.37Å; W205-D208 PolarHBondContact O-N 2.89Å |
| 206 | S | 97.6 | Very high | 96.7 | Very high | 88 Ų | 88 | 40.3 Ų | 40.3 | 62% | 0.615 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -73.4 | -26.4 | 176.4 | 71.2 | 0 | 0 | 0 | 0 | 114.2 | K202 K203 C204 D208 | K202-S206 PolarHBondContact O-N 3.3Å; K202-S206 PolarHBondContact O-OG 2.98Å; K203-S206 PolarHBondContact O-N 3.27Å; K203-S206 PolarHBondContact O-OG 2.94Å; C204-S206 PolarHBondContact O-N 3.05Å; S206-D208 VanDerWaalsContact C-N 3.28Å |
| 207 | V | 95.7 | Very high | 96.7 | Very high | 14 Ų | 14 | 39 Ų | 39 | 9% | 0.085 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -81.1 | -16.5 | 177.6 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | K203 C204 I209 R261 K264 L265 | K203-V207 HydrophobicContact CD-CG2 4.26Å; K203-V207 WeakPolarHBondContact O-CG2 3.42Å; K203-V207 PolarHBondContact O-N 3.34Å; K203-V207 VanDerWaalsContact O-N 3.12Å; C204-V207 PolarHBondContact O-N 3.04Å; V207-I209 HydrophobicContact CB-CG1 4.09Å; V207-I209 HydrophobicContact CG1-CG1 3.93Å; V207-R261 PolarHBondContact O-NH1 2.84Å; V207-R261 VanDerWaalsContact O-NH1 3.09Å; V207-K264 HydrophobicContact CG1-CB 4.45Å; V207-K264 HydrophobicContact CG2-CB 4.47Å; V207-L265 HydrophobicContact CG1-CD2 3.8Å; V207-L265 HydrophobicContact CG1-CG 4.43Å |
| 208 | D | 95.2 | Very high | 96.6 | Very high | 106 Ų | 106 | 39.6 Ų | 39.6 | 57% | 0.567 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 65.3 | -174.5 | -160.2 | 39.2 | 0 | 0 | 0 | 111.9 | R150 C204 W205 S206 S210 R261 | R150-D208 IonicContact NH2-OD1 3.67Å; R150-D208 PolarHBondContact NH2-OD1 2.96Å; C204-D208 PolarHBondContact O-N 2.71Å; W205-D208 PolarHBondContact O-N 2.89Å; S206-D208 VanDerWaalsContact C-N 3.28Å; D208-S210 PolarHBondContact O-N 3.12Å; D208-R261 PolarHBondContact O-NH2 3.44Å |
| 209 | I | 97 | Very high | 96.5 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | trans | -72.2 | 125.5 | -178.4 | -52.1 | -179.4 | 0 | 0 | 0 | 108.8 | C204 V207 E213 Y214 L217 L265 | C204-I209 HydrophobicContact CB-CD1 3.92Å; V207-I209 HydrophobicContact CB-CG1 4.09Å; V207-I209 HydrophobicContact CG1-CG1 3.93Å; I209-E213 HydrophobicContact CG2-CB 3.6Å; I209-Y214 HydrophobicContact CB-CD2 3.97Å; I209-Y214 HydrophobicContact CB-CE1 4.42Å; I209-Y214 HydrophobicContact CB-CE2 3.53Å; I209-Y214 HydrophobicContact CD1-CE1 4.35Å; I209-Y214 HydrophobicContact CG2-CD1 4.19Å; I209-Y214 HydrophobicContact CG2-CD2 3.61Å; I209-Y214 HydrophobicContact CG2-CE1 4.27Å; I209-Y214 HydrophobicContact CG2-CE2 3.71Å; I209-Y214 HydrophobicContact CG2-CG 3.87Å; I209-Y214 WeakPolarHBondContact O-CE2 3.43Å; I209-L217 HydrophobicContact CD1-CD1 4.17Å; I209-L217 HydrophobicContact CG2-CD1 4.06Å; I209-L265 HydrophobicContact CB-CD2 4.35Å; I209-L265 HydrophobicContact CD1-CD2 3.91Å; I209-L265 HydrophobicContact CG1-CD2 3.65Å; I209-L265 HydrophobicContact CG2-CD2 4.04Å | ||
| 210 | S | 95.5 | Very high | 96.4 | Very high | 42 Ų | 42 | 35.6 Ų | 35.6 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | trans | -75.9 | 161.8 | 177.9 | 69.3 | 0 | 0 | 0 | 0 | 112.4 | D208 K212 E213 Y214 | D208-S210 PolarHBondContact O-N 3.12Å; S210-K212 VanDerWaalsContact C-N 3.27Å; S210-K212 PolarHBondContact O-N 3.11Å; S210-E213 WeakPolarHBondContact CB-OE2 3.36Å; S210-E213 PolarHBondContact N-OE2 2.94Å; S210-E213 PolarHBondContact O-N 3.38Å; S210-E213 VanDerWaalsContact O-N 3.11Å; S210-E213 VanDerWaalsContact OG-CD 3.26Å; S210-E213 VanDerWaalsContact OG-CG 3.26Å; S210-E213 WeakPolarHBondContact OG-CG 3.28Å; S210-E213 PolarHBondContact OG-N 2.99Å; S210-E213 PolarHBondContact OG-OE2 3.46Å; S210-Y214 WeakPolarHBondContact O-CD2 3.45Å; S210-Y214 PolarHBondContact O-N 3.27Å | ||
| 211 | T | 93.1 | Very high | 96.3 | Very high | 79 Ų | 79 | 36.6 Ų | 36.6 | 49% | 0.485 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -53.8 | -42.1 | 176.7 | -50.1 | 0 | 0 | 0 | 0 | 112.7 | D28 Y214 A215 | D28-T211 WeakPolarHBondContact OD2-CG2 3.42Å; T211-Y214 PolarHBondContact O-N 3.42Å; T211-A215 PolarHBondContact O-N 3.17Å |
| 212 | K | 92.4 | Very high | 96.2 | Very high | 113 Ų | 113 | 36.6 Ų | 36.6 | 49% | 0.491 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66 | -42.1 | 178.5 | -69.3 | -170.4 | 175.7 | 177 | 0 | 111.7 | L25 S210 A215 Y216 | L25-K212 HydrophobicContact CD2-CB 4.1Å; L25-K212 HydrophobicContact CD2-CD 4.49Å; L25-K212 HydrophobicContact CD2-CG 3.86Å; S210-K212 VanDerWaalsContact C-N 3.27Å; S210-K212 PolarHBondContact O-N 3.11Å; K212-A215 WeakPolarHBondContact O-CB 3.36Å; K212-A215 PolarHBondContact O-N 3.26Å; K212-Y216 HydrophobicContact CB-CE2 4.3Å; K212-Y216 WeakPolarHBondContact O-CD2 3.17Å; K212-Y216 PolarHBondContact O-N 2.9Å; K212-Y216 VanDerWaalsContact O-N 3.1Å |
| 213 | E | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.9 | -41.6 | 176.8 | -68.4 | 165.4 | 136.5 | 0 | 0 | 111.6 | I209 S210 A215 Y216 L217 L247 H255 R261 L265 | I209-E213 HydrophobicContact CG2-CB 3.6Å; S210-E213 WeakPolarHBondContact CB-OE2 3.36Å; S210-E213 PolarHBondContact N-OE2 2.94Å; S210-E213 PolarHBondContact O-N 3.38Å; S210-E213 VanDerWaalsContact O-N 3.11Å; S210-E213 VanDerWaalsContact OG-CD 3.26Å; S210-E213 VanDerWaalsContact OG-CG 3.26Å; S210-E213 WeakPolarHBondContact OG-CG 3.28Å; S210-E213 PolarHBondContact OG-N 2.99Å; S210-E213 PolarHBondContact OG-OE2 3.46Å; E213-A215 VanDerWaalsContact C-N 3.3Å; E213-A215 PolarHBondContact O-N 2.82Å; E213-Y216 PolarHBondContact O-N 3.19Å; E213-L217 WeakPolarHBondContact O-CB 3.3Å; E213-L217 VanDerWaalsContact O-CG 3.26Å; E213-L217 WeakPolarHBondContact O-CG 3.34Å; E213-L217 PolarHBondContact O-N 2.84Å; E213-L247 HydrophobicContact CB-CD1 3.99Å; E213-L247 HydrophobicContact CG-CD1 3.86Å; E213-H255 IonicContact OE1-CD2 2.82Å; E213-H255 IonicContact OE1-NE2 3.68Å; E213-R261 VanDerWaalsContact CD-NH2 3.32Å; E213-R261 IonicContact OE1-CZ 2.7Å; E213-R261 IonicContact OE1-NE 3.81Å; E213-R261 PolarHBondContact OE1-NE 3Å; E213-R261 IonicContact OE1-NH2 2.68Å; E213-R261 PolarHBondContact OE1-NH2 3.48Å; E213-R261 IonicContact OE2-CZ 3.81Å; E213-R261 IonicContact OE2-NE 3.35Å; E213-R261 IonicContact OE2-NH2 2.86Å; E213-R261 PolarHBondContact OE2-NH2 2.71Å; E213-L265 HydrophobicContact CG-CD1 4.38Å |
| 214 | Y | 96.9 | Very high | 96.1 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 2% | 0.02 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57 | -43.7 | 171.6 | -86.5 | -66.9 | 0 | 0 | 0 | 112 | L144 A147 Q148 I209 S210 T211 Y216 L217 K218 | L144-Y214 HydrophobicContact CD1-CD1 3.76Å; L144-Y214 HydrophobicContact CD1-CE1 3.66Å; L144-Y214 HydrophobicContact CG-CD1 3.94Å; L144-Y214 HydrophobicContact CG-CE1 4.17Å; A147-Y214 HydrophobicContact CB-CE1 4.26Å; Q148-Y214 HydrophobicContact CB-CD1 3.91Å; Q148-Y214 HydrophobicContact CB-CD2 3.96Å; Q148-Y214 HydrophobicContact CB-CE1 3.88Å; Q148-Y214 HydrophobicContact CB-CE2 3.93Å; Q148-Y214 HydrophobicContact CB-CG 3.95Å; Q148-Y214 HydrophobicContact CG-CD1 4.37Å; Q148-Y214 HydrophobicContact CG-CD2 3.71Å; Q148-Y214 HydrophobicContact CG-CE2 4.03Å; Q148-Y214 HydrophobicContact CG-CG 3.89Å; I209-Y214 HydrophobicContact CB-CD2 3.97Å; I209-Y214 HydrophobicContact CB-CE1 4.42Å; I209-Y214 HydrophobicContact CB-CE2 3.53Å; I209-Y214 HydrophobicContact CD1-CE1 4.35Å; I209-Y214 HydrophobicContact CG2-CD1 4.19Å; I209-Y214 HydrophobicContact CG2-CD2 3.61Å; I209-Y214 HydrophobicContact CG2-CE1 4.27Å; I209-Y214 HydrophobicContact CG2-CE2 3.71Å; I209-Y214 HydrophobicContact CG2-CG 3.87Å; I209-Y214 WeakPolarHBondContact O-CE2 3.43Å; S210-Y214 WeakPolarHBondContact O-CD2 3.45Å; S210-Y214 PolarHBondContact O-N 3.27Å; T211-Y214 PolarHBondContact O-N 3.42Å; Y214-Y216 VanDerWaalsContact C-N 3.35Å; Y214-Y216 PolarHBondContact O-N 3.28Å; Y214-L217 PolarHBondContact O-N 3.17Å; Y214-K218 WeakPolarHBondContact O-CB 3.29Å; Y214-K218 VanDerWaalsContact O-CG 3.31Å; Y214-K218 WeakPolarHBondContact O-CG 3.14Å; Y214-K218 PolarHBondContact O-N 3.4Å |
| 215 | A | 95.1 | Very high | 96 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61 | -42.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I24 L25 D28 T211 K212 E213 G219 | I24-A215 HydrophobicContact CG2-CB 4.05Å; I24-A215 WeakPolarHBondContact CG2-O 3.48Å; L25-A215 HydrophobicContact CD2-CB 3.99Å; D28-A215 HydrophobicContact CB-CB 4.2Å; T211-A215 PolarHBondContact O-N 3.17Å; K212-A215 WeakPolarHBondContact O-CB 3.36Å; K212-A215 PolarHBondContact O-N 3.26Å; E213-A215 VanDerWaalsContact C-N 3.3Å; E213-A215 PolarHBondContact O-N 2.82Å; A215-G219 PolarHBondContact O-N 2.76Å; A215-G219 VanDerWaalsContact O-N 3.08Å |
| 216 | Y | 95.7 | Very high | 95.9 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 8% | 0.075 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68 | -41.5 | 175 | -59.1 | -49.4 | 0 | 0 | 0 | 112.6 | L21 L25 K212 E213 Y214 K218 G219 T220 A246 L247 H250 | L21-Y216 HydrophobicContact CB-CE1 4.21Å; L21-Y216 HydrophobicContact CD2-CD1 4.09Å; L21-Y216 HydrophobicContact CD2-CE1 3.91Å; L21-Y216 HydrophobicContact CG-CE1 4.47Å; L25-Y216 HydrophobicContact CD1-CE1 4.48Å; L25-Y216 HydrophobicContact CD2-CE1 4.47Å; L25-Y216 HydrophobicContact CG-CE1 4.39Å; K212-Y216 HydrophobicContact CB-CE2 4.3Å; K212-Y216 WeakPolarHBondContact O-CD2 3.17Å; K212-Y216 PolarHBondContact O-N 2.9Å; K212-Y216 VanDerWaalsContact O-N 3.1Å; E213-Y216 PolarHBondContact O-N 3.19Å; Y214-Y216 VanDerWaalsContact C-N 3.35Å; Y214-Y216 PolarHBondContact O-N 3.28Å; Y216-K218 PolarHBondContact O-N 3.39Å; Y216-G219 WeakPolarHBondContact O-CA 3.32Å; Y216-G219 PolarHBondContact O-N 2.87Å; Y216-G219 VanDerWaalsContact O-N 3.12Å; Y216-T220 PolarHBondContact O-N 3.38Å; Y216-T220 PolarHBondContact O-OG1 3.33Å; Y216-A246 HydrophobicContact CD1-CB 3.63Å; Y216-A246 HydrophobicContact CE1-CB 3.53Å; Y216-A246 HydrophobicContact CG-CB 4.22Å; Y216-L247 HydrophobicContact CD2-CB 4.32Å; Y216-L247 HydrophobicContact CD2-CD1 4.03Å; Y216-L247 HydrophobicContact CG-CB 4.34Å; Y216-H250 HydrophobicContact CD2-CB 4.44Å; Y216-H250 HydrophobicContact CE2-CB 3.75Å; Y216-H250 AromaticContact CE2-CG 3.92Å |
| 217 | L | 97.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 175.8 | -70.8 | 173.5 | 0 | 0 | 0 | 111.6 | L144 I209 E213 Y214 G219 T220 V221 L247 L265 L269 | L144-L217 HydrophobicContact CD2-CB 3.86Å; I209-L217 HydrophobicContact CD1-CD1 4.17Å; I209-L217 HydrophobicContact CG2-CD1 4.06Å; E213-L217 WeakPolarHBondContact O-CB 3.3Å; E213-L217 VanDerWaalsContact O-CG 3.26Å; E213-L217 WeakPolarHBondContact O-CG 3.34Å; E213-L217 PolarHBondContact O-N 2.84Å; Y214-L217 PolarHBondContact O-N 3.17Å; L217-G219 VanDerWaalsContact C-N 3.31Å; L217-G219 PolarHBondContact O-N 2.82Å; L217-T220 WeakPolarHBondContact O-CB 3.08Å; L217-T220 PolarHBondContact O-N 3.33Å; L217-V221 WeakPolarHBondContact O-CG2 3.5Å; L217-V221 PolarHBondContact O-N 3.01Å; L217-L247 HydrophobicContact CD2-CD2 3.7Å; L217-L247 HydrophobicContact CG-CD2 4.28Å; L217-L265 HydrophobicContact CD1-CD2 4.39Å; L217-L269 HydrophobicContact CB-CD1 4.26Å; L217-L269 HydrophobicContact CD2-CB 4.28Å; L217-L269 HydrophobicContact CD2-CD1 4.06Å; L217-L269 HydrophobicContact CD2-CD2 4.02Å; L217-L269 HydrophobicContact CD2-CG 4.35Å |
| 218 | K | 96.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.6 | -43.2 | 171.7 | -72.9 | 175.4 | -169.9 | 172.5 | 0 | 111.1 | D28 F115 L141 L144 Y214 Y216 V221 L222 | D28-K218 IonicContact OD1-NZ 2.71Å; D28-K218 PolarHBondContact OD1-NZ 3.27Å; F115-K218 HydrophobicContact CD1-CD 4.19Å; F115-K218 HydrophobicContact CD2-CD 4.48Å; F115-K218 HydrophobicContact CE1-CB 3.71Å; F115-K218 HydrophobicContact CE1-CD 4.11Å; F115-K218 HydrophobicContact CE1-CG 4.5Å; F115-K218 HydrophobicContact CE2-CD 4.39Å; F115-K218 HydrophobicContact CG-CD 4.38Å; F115-K218 HydrophobicContact CZ-CB 3.78Å; F115-K218 HydrophobicContact CZ-CD 4.21Å; L141-K218 HydrophobicContact CD2-CB 3.92Å; L141-K218 HydrophobicContact CD2-CG 4.12Å; L141-K218 WeakPolarHBondContact CD2-O 3.33Å; L144-K218 HydrophobicContact CD2-CB 4.47Å; L144-K218 HydrophobicContact CD2-CG 3.78Å; Y214-K218 WeakPolarHBondContact O-CB 3.29Å; Y214-K218 VanDerWaalsContact O-CG 3.31Å; Y214-K218 WeakPolarHBondContact O-CG 3.14Å; Y214-K218 PolarHBondContact O-N 3.4Å; Y216-K218 PolarHBondContact O-N 3.39Å; K218-V221 PolarHBondContact O-N 2.99Å; K218-L222 WeakPolarHBondContact O-CB 3.49Å; K218-L222 PolarHBondContact O-N 3.03Å |
| 219 | G | 95.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A215 Y216 L217 V221 L222 F223 | A215-G219 PolarHBondContact O-N 2.76Å; A215-G219 VanDerWaalsContact O-N 3.08Å; Y216-G219 WeakPolarHBondContact O-CA 3.32Å; Y216-G219 PolarHBondContact O-N 2.87Å; Y216-G219 VanDerWaalsContact O-N 3.12Å; L217-G219 VanDerWaalsContact C-N 3.31Å; L217-G219 PolarHBondContact O-N 2.82Å; G219-V221 VanDerWaalsContact C-N 3.31Å; G219-V221 PolarHBondContact O-N 3.2Å; G219-L222 PolarHBondContact O-N 3.39Å; G219-F223 WeakPolarHBondContact O-CD2 3.42Å; G219-F223 PolarHBondContact O-N 3.23Å |
| 220 | T | 95.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.7 | -37.9 | 176.8 | -63.2 | 0 | 0 | 0 | 0 | 113 | Y216 L217 H244 L269 | Y216-T220 PolarHBondContact O-N 3.38Å; Y216-T220 PolarHBondContact O-OG1 3.33Å; L217-T220 WeakPolarHBondContact O-CB 3.08Å; L217-T220 PolarHBondContact O-N 3.33Å; T220-H244 VanDerWaalsContact CG2-CE1 3.49Å; T220-H244 WeakPolarHBondContact CG2-CE1 3.39Å; T220-H244 WeakPolarHBondContact CG2-NE2 3.14Å; T220-L269 HydrophobicContact CG2-CD2 3.63Å |
| 221 | V | 96.7 | Very high | 95.6 | Very high | 22 Ų | 22 | 42 Ų | 42 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -74.9 | -43.5 | 177.4 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | P140 L141 L217 K218 G219 L269 L272 | P140-V221 HydrophobicContact CB-CG1 3.69Å; L141-V221 HydrophobicContact CD2-CB 3.89Å; L141-V221 HydrophobicContact CD2-CG1 3.8Å; L141-V221 HydrophobicContact CG-CB 4.42Å; L141-V221 HydrophobicContact CG-CG1 3.78Å; L217-V221 WeakPolarHBondContact O-CG2 3.5Å; L217-V221 PolarHBondContact O-N 3.01Å; K218-V221 PolarHBondContact O-N 2.99Å; G219-V221 VanDerWaalsContact C-N 3.31Å; G219-V221 PolarHBondContact O-N 3.2Å; V221-L269 HydrophobicContact CG2-CD1 3.52Å; V221-L269 HydrophobicContact CG2-CD2 4.38Å; V221-L269 HydrophobicContact CG2-CG 4.28Å; V221-L272 HydrophobicContact CG2-CD1 4.2Å |
| 222 | L | 96.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.3 | -45.5 | -176.9 | 176.4 | 61.9 | 0 | 0 | 0 | 111.7 | F115 V116 F122 L133 L141 K218 G219 N224 | F115-L222 HydrophobicContact CE1-CD2 4.4Å; V116-L222 HydrophobicContact CG1-CD1 3.91Å; V116-L222 HydrophobicContact CG1-CD2 4.25Å; V116-L222 HydrophobicContact CG2-CD1 3.86Å; V116-L222 HydrophobicContact CG2-CD2 4.15Å; F122-L222 HydrophobicContact CD2-CD1 4.06Å; F122-L222 HydrophobicContact CD2-CD2 4Å; F122-L222 HydrophobicContact CD2-CG 4.17Å; F122-L222 HydrophobicContact CE2-CD1 3.87Å; F122-L222 HydrophobicContact CE2-CG 4.45Å; L133-L222 WeakPolarHBondContact CD2-O 3.29Å; L141-L222 HydrophobicContact CD1-CB 4.36Å; L141-L222 HydrophobicContact CD1-CD1 4.1Å; K218-L222 WeakPolarHBondContact O-CB 3.49Å; K218-L222 PolarHBondContact O-N 3.03Å; G219-L222 PolarHBondContact O-N 3.39Å; L222-N224 PolarHBondContact O-N 2.83Å; L222-N224 VanDerWaalsContact O-N 3.11Å |
| 223 | F | 96.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -88.4 | 74.8 | -177.7 | -60.3 | -58.1 | 0 | 0 | 0 | 110.6 | I24 V119 F122 G219 P225 I236 L239 R240 | I24-F223 HydrophobicContact CD1-CE2 4.4Å; V119-F223 HydrophobicContact CG1-CZ 3.99Å; F122-F223 HydrophobicContact CB-CE1 4.31Å; F122-F223 HydrophobicContact CB-CZ 4.45Å; F122-F223 HydrophobicContact CD2-CE1 4.16Å; G219-F223 WeakPolarHBondContact O-CD2 3.42Å; G219-F223 PolarHBondContact O-N 3.23Å; F223-P225 WeakPolarHBondContact O-CD 3.47Å; F223-I236 HydrophobicContact CB-CG2 4.12Å; F223-L239 HydrophobicContact CB-CB 4.13Å; F223-L239 HydrophobicContact CD1-CB 3.99Å; F223-L239 HydrophobicContact CD1-CD1 3.63Å; F223-L239 HydrophobicContact CD1-CG 4.48Å; F223-L239 HydrophobicContact CD2-CB 3.71Å; F223-L239 HydrophobicContact CE1-CB 4.36Å; F223-L239 HydrophobicContact CE1-CD1 3.44Å; F223-L239 VanDerWaalsContact CE1-CD1 3.44Å; F223-L239 HydrophobicContact CE2-CB 4.09Å; F223-L239 HydrophobicContact CE2-CD1 4.35Å; F223-L239 HydrophobicContact CG-CB 3.66Å; F223-L239 HydrophobicContact CG-CD1 4.19Å; F223-L239 HydrophobicContact CZ-CB 4.4Å; F223-L239 HydrophobicContact CZ-CD1 3.82Å; F223-R240 HydrophobicContact CB-CB 4.18Å; F223-R240 WeakPolarHBondContact O-CB 3.38Å; F223-R240 VanDerWaalsContact O-CD 3.28Å; F223-R240 WeakPolarHBondContact O-CD 3.41Å; F223-R240 WeakPolarHBondContact O-CG 3.43Å |
| 224 | N | 96.3 | Very high | 95.9 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 21% | 0.209 | 22% | 0.224 | C | C | . | . | trans | -91.5 | 105.3 | 178.5 | -175.5 | 13.7 | 0 | 0 | 0 | 111.9 | L133 L222 D226 L227 | L133-N224 HydrophobicContact CD2-CB 4.42Å; L222-N224 PolarHBondContact O-N 2.83Å; L222-N224 VanDerWaalsContact O-N 3.11Å; N224-D226 VanDerWaalsContact C-N 3.26Å; N224-D226 PolarHBondContact O-N 3.26Å; N224-D226 VanDerWaalsContact OD1-CB 3.29Å; N224-D226 WeakPolarHBondContact OD1-CB 3.18Å; N224-D226 PolarHBondContact OD1-N 2.76Å; N224-D226 PolarHBondContact OD1-OD2 3.35Å; N224-L227 HydrophobicContact CB-CD1 4.45Å; N224-L227 HydrophobicContact CB-CG 4.33Å; N224-L227 WeakPolarHBondContact ND2-CD2 3.2Å | ||
| 225 | P | 96.6 | Very high | 95.8 | Very high | 15 Ų | 15 | 44.6 Ų | 44.6 | 10% | 0.097 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -6.9 | 175.8 | 35.6 | -40.3 | 0 | 0 | 0 | 113.7 | F223 L227 L233 I236 Q237 R240 | F223-P225 WeakPolarHBondContact O-CD 3.47Å; P225-L227 PolarHBondContact O-N 2.91Å; P225-L233 HydrophobicContact CB-CD1 3.83Å; P225-L233 WeakPolarHBondContact O-CD1 3.42Å; P225-I236 HydrophobicContact CB-CG2 4.34Å; P225-Q237 HydrophobicContact CB-CB 4.42Å; P225-Q237 HydrophobicContact CB-CG 3.35Å; P225-Q237 HydrophobicContact CG-CG 3.99Å; P225-R240 VanDerWaalsContact CD-CD 3.44Å |
| 226 | D | 95.8 | Very high | 95.9 | Very high | 114 Ų | 114 | 44.6 Ų | 44.6 | 61% | 0.61 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 6.7 | -174.9 | -51.8 | -40 | 0 | 0 | 0 | 111.9 | N224 R240 | N224-D226 VanDerWaalsContact C-N 3.26Å; N224-D226 PolarHBondContact O-N 3.26Å; N224-D226 VanDerWaalsContact OD1-CB 3.29Å; N224-D226 WeakPolarHBondContact OD1-CB 3.18Å; N224-D226 PolarHBondContact OD1-N 2.76Å; N224-D226 PolarHBondContact OD1-OD2 3.35Å; D226-R240 IonicContact OD1-NH1 3.63Å; D226-R240 IonicContact OD2-CZ 2.77Å; D226-R240 IonicContact OD2-NH1 2.74Å; D226-R240 PolarHBondContact OD2-NH1 3.26Å |
| 227 | L | 95.8 | Very high | 96 | Very high | 37 Ų | 37 | 46.6 Ų | 46.6 | 19% | 0.194 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -84.2 | 133 | 177.8 | -55 | 174.9 | 0 | 0 | 0 | 110.8 | M132 L133 S136 N224 P225 L230 | M132-L227 HydrophobicContact CB-CD1 4.29Å; L133-L227 HydrophobicContact CD2-CD1 3.79Å; L133-L227 HydrophobicContact CG-CD1 4.43Å; S136-L227 VanDerWaalsContact OG-CD1 3.23Å; S136-L227 WeakPolarHBondContact OG-CD1 3.45Å; N224-L227 HydrophobicContact CB-CD1 4.45Å; N224-L227 HydrophobicContact CB-CG 4.33Å; N224-L227 WeakPolarHBondContact ND2-CD2 3.2Å; P225-L227 PolarHBondContact O-N 2.91Å; L227-L230 HydrophobicContact CB-CD1 3.88Å; L227-L230 HydrophobicContact CB-CD2 4.37Å; L227-L230 HydrophobicContact CB-CG 3.93Å; L227-L230 HydrophobicContact CD1-CD2 4.46Å; L227-L230 WeakPolarHBondContact O-CG 3.32Å |
| 228 | E | 94.9 | Very high | 95.9 | Very high | 187 Ų | 187 | 47.3 Ų | 47.3 | 87% | 0.874 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 141 | 174.6 | -61.1 | -176.6 | 172.7 | 0 | 0 | 110.8 | ||
| 229 | G | 93.5 | Very high | 95.8 | Very high | 64 Ų | 64 | 46.9 Ų | 46.9 | 66% | 0.66 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | 0.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | R231 | G229-R231 PolarHBondContact O-N 3.11Š|
| 230 | L | 96 | Very high | 95.8 | Very high | 21 Ų | 21 | 50.1 Ų | 50.1 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | trans | -61.8 | 129.8 | 176.6 | -70.3 | 174.2 | 0 | 0 | 0 | 112.6 | D129 M132 L227 L233 I236 | D129-L230 HydrophobicContact CB-CD2 4.28Å; M132-L230 HydrophobicContact CB-CD2 4.35Å; M132-L230 HydrophobicContact CE-CD2 4.21Å; M132-L230 HydrophobicContact SD-CD2 4.47Å; L227-L230 HydrophobicContact CB-CD1 3.88Å; L227-L230 HydrophobicContact CB-CD2 4.37Å; L227-L230 HydrophobicContact CB-CG 3.93Å; L227-L230 HydrophobicContact CD1-CD2 4.46Å; L227-L230 WeakPolarHBondContact O-CG 3.32Å; L230-L233 HydrophobicContact CB-CB 4.47Å; L230-L233 HydrophobicContact CD1-CD1 4.16Å; L230-I236 HydrophobicContact CB-CD1 4.47Å; L230-I236 HydrophobicContact CD1-CD1 3.86Å; L230-I236 HydrophobicContact CD2-CD1 3.72Å; L230-I236 HydrophobicContact CG-CD1 4.24Å | ||
| 231 | R | 95.9 | Very high | 95.8 | Very high | 149 Ų | 149 | 57 Ų | 57 | 56% | 0.562 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -44.7 | 177.2 | -64.3 | -173.2 | 179 | 149.7 | 11.3 | 112.5 | D128 D129 G229 L233 | D128-R231 IonicContact OD2-CZ 3.43Å; D128-R231 IonicContact OD2-NH1 3.53Å; D128-R231 PolarHBondContact OD2-NH1 3.29Å; D128-R231 IonicContact OD2-NH2 2.86Å; D128-R231 PolarHBondContact OD2-NH2 2.88Å; D129-R231 PolarHBondContact OD1-N 3.14Å; D129-R231 PolarHBondContact OD2-N 3.06Å; G229-R231 PolarHBondContact O-N 3.11Å; R231-L233 PolarHBondContact O-N 3.46Å |
| 232 | C | 95.5 | Very high | 95.7 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 44.9 | 179.2 | -77.7 | 0 | 0 | 0 | 0 | 112.2 | C9 L125 D129 H234 Y235 I236 | C9-C232 HydrophobicContact CB-CB 4.32Å; C9-C232 WeakPolarHBondContact CB-SG 3.27Å; C9-C232 WeakPolarHBondContact SG-CB 3.39Å; C9-C232 CovalentContact SG-SG 2.08Å; C9-C232 PolarHBondContact SG-SG 3.32Å; L125-C232 HydrophobicContact CD2-CB 3.96Å; D129-C232 PolarHBondContact OD2-N 3.04Å; C232-H234 PolarHBondContact O-N 3.1Å; C232-Y235 PolarHBondContact O-N 3.23Å; C232-Y235 VanDerWaalsContact O-N 3.11Å; C232-I236 WeakPolarHBondContact O-CG1 3.22Å; C232-I236 PolarHBondContact O-N 2.89Å |
| 233 | L | 96.4 | Very high | 95.6 | Very high | 61 Ų | 61 | 58.5 Ų | 58.5 | 32% | 0.319 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -49.1 | -51.7 | -177.8 | 177.8 | 65.7 | 0 | 0 | 0 | 113.5 | P225 L230 R231 Y235 I236 Q237 | P225-L233 HydrophobicContact CB-CD1 3.83Å; P225-L233 WeakPolarHBondContact O-CD1 3.42Å; L230-L233 HydrophobicContact CB-CB 4.47Å; L230-L233 HydrophobicContact CD1-CD1 4.16Å; R231-L233 PolarHBondContact O-N 3.46Å; L233-Y235 VanDerWaalsContact C-N 3.29Å; L233-Y235 PolarHBondContact O-N 2.87Å; L233-I236 PolarHBondContact O-N 3.24Å; L233-Q237 HydrophobicContact CD1-CG 4.32Å; L233-Q237 HydrophobicContact CG-CG 4.47Å; L233-Q237 VanDerWaalsContact O-CG 3.32Å; L233-Q237 WeakPolarHBondContact O-CG 3.49Å; L233-Q237 PolarHBondContact O-N 3.23Å |
| 234 | H | 95.7 | Very high | 95.5 | Very high | 149 Ų | 149 | 61.1 Ų | 61.1 | 69% | 0.69 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.8 | -33.9 | -177.4 | -70.7 | -53.9 | 0 | 0 | 0 | 113.4 | C232 Q237 A238 | C232-H234 PolarHBondContact O-N 3.1Å; H234-Q237 PolarHBondContact ND1-OE1 2.93Å; H234-A238 PolarHBondContact O-N 3.29Å |
| 235 | Y | 95.2 | Very high | 95.4 | Very high | 33 Ų | 33 | 64.6 Ų | 64.6 | 13% | 0.129 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.9 | -46.4 | 176.6 | 179.2 | -117.6 | 0 | 0 | 0 | 110.4 | C121 Q124 L125 C232 L233 Q237 A238 L239 | C121-Y235 WeakPolarHBondContact CB-OH 3.35Å; Q124-Y235 PolarHBondContact OE1-OH 3.46Å; L125-Y235 HydrophobicContact CD2-CD1 3.55Å; L125-Y235 HydrophobicContact CD2-CE1 3.9Å; L125-Y235 HydrophobicContact CG-CD1 4.43Å; L125-Y235 HydrophobicContact CG-CE1 4.3Å; C232-Y235 PolarHBondContact O-N 3.23Å; C232-Y235 VanDerWaalsContact O-N 3.11Å; L233-Y235 VanDerWaalsContact C-N 3.29Å; L233-Y235 PolarHBondContact O-N 2.87Å; Y235-Q237 VanDerWaalsContact C-N 3.31Å; Y235-Q237 PolarHBondContact O-N 2.9Å; Y235-A238 WeakPolarHBondContact O-CA 3.28Å; Y235-A238 WeakPolarHBondContact O-CB 3.16Å; Y235-A238 PolarHBondContact O-N 3.13Å; Y235-L239 HydrophobicContact CD1-CD1 4.04Å; Y235-L239 HydrophobicContact CE1-CD1 3.62Å; Y235-L239 HydrophobicContact CE1-CG 4.3Å; Y235-L239 HydrophobicContact CE2-CD1 4.49Å; Y235-L239 HydrophobicContact CE2-CD2 4.17Å; Y235-L239 HydrophobicContact CE2-CG 4.33Å; Y235-L239 WeakPolarHBondContact O-CG 3.21Å; Y235-L239 PolarHBondContact O-N 2.91Å |
| 236 | I | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 175.8 | -64.4 | 165.6 | 0 | 0 | 0 | 111 | L125 L133 F223 P225 L230 C232 L233 A238 L239 R240 | L125-I236 HydrophobicContact CD1-CG1 4.36Å; L125-I236 HydrophobicContact CD2-CD1 4.16Å; L125-I236 HydrophobicContact CD2-CG1 3.82Å; L133-I236 HydrophobicContact CD1-CD1 4.08Å; L133-I236 HydrophobicContact CD1-CG1 4.43Å; L133-I236 HydrophobicContact CD2-CD1 4.48Å; L133-I236 HydrophobicContact CD2-CG2 4.35Å; F223-I236 HydrophobicContact CB-CG2 4.12Å; P225-I236 HydrophobicContact CB-CG2 4.34Å; L230-I236 HydrophobicContact CB-CD1 4.47Å; L230-I236 HydrophobicContact CD1-CD1 3.86Å; L230-I236 HydrophobicContact CD2-CD1 3.72Å; L230-I236 HydrophobicContact CG-CD1 4.24Å; C232-I236 WeakPolarHBondContact O-CG1 3.22Å; C232-I236 PolarHBondContact O-N 2.89Å; L233-I236 PolarHBondContact O-N 3.24Å; I236-A238 VanDerWaalsContact C-N 3.33Å; I236-A238 PolarHBondContact O-N 3.49Å; I236-L239 PolarHBondContact O-N 2.87Å; I236-R240 PolarHBondContact O-N 3.49Å |
| 237 | Q | 96.6 | Very high | 95.2 | Very high | 60 Ų | 60 | 58.5 Ų | 58.5 | 28% | 0.28 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 173.4 | -74.1 | 176.7 | -17 | 0 | 0 | 112.4 | P225 L233 H234 Y235 R240 R241 | P225-Q237 HydrophobicContact CB-CB 4.42Å; P225-Q237 HydrophobicContact CB-CG 3.35Å; P225-Q237 HydrophobicContact CG-CG 3.99Å; L233-Q237 HydrophobicContact CD1-CG 4.32Å; L233-Q237 HydrophobicContact CG-CG 4.47Å; L233-Q237 VanDerWaalsContact O-CG 3.32Å; L233-Q237 WeakPolarHBondContact O-CG 3.49Å; L233-Q237 PolarHBondContact O-N 3.23Å; H234-Q237 PolarHBondContact ND1-OE1 2.93Å; Y235-Q237 VanDerWaalsContact C-N 3.31Å; Y235-Q237 PolarHBondContact O-N 2.9Å; Q237-R240 PolarHBondContact O-N 3.39Å; Q237-R241 WeakPolarHBondContact O-CG 3.26Å; Q237-R241 PolarHBondContact O-N 3.35Å |
| 238 | A | 95.9 | Very high | 95.2 | Very high | 18 Ų | 18 | 58.7 Ų | 58.7 | 15% | 0.149 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.5 | -46 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | H234 Y235 I236 R240 R241 E242 | H234-A238 PolarHBondContact O-N 3.29Å; Y235-A238 WeakPolarHBondContact O-CA 3.28Å; Y235-A238 WeakPolarHBondContact O-CB 3.16Å; Y235-A238 PolarHBondContact O-N 3.13Å; I236-A238 VanDerWaalsContact C-N 3.33Å; I236-A238 PolarHBondContact O-N 3.49Å; A238-R240 VanDerWaalsContact C-N 3.34Å; A238-R240 PolarHBondContact O-N 3.47Å; A238-R241 PolarHBondContact O-N 2.99Å; A238-R241 VanDerWaalsContact O-N 3.14Å; A238-E242 WeakPolarHBondContact O-CG 3.35Å; A238-E242 PolarHBondContact O-N 3.02Å |
| 239 | L | 95.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 176.6 | -63.4 | 179.4 | 0 | 0 | 0 | 112.3 | I20 C121 F223 Y235 I236 E242 A243 | I20-L239 HydrophobicContact CD1-CD2 3.6Å; I20-L239 HydrophobicContact CG1-CD2 4.3Å; I20-L239 HydrophobicContact CG2-CD2 4.09Å; C121-L239 HydrophobicContact CB-CD1 4.07Å; C121-L239 HydrophobicContact CB-CD2 3.78Å; F223-L239 HydrophobicContact CB-CB 4.13Å; F223-L239 HydrophobicContact CD1-CB 3.99Å; F223-L239 HydrophobicContact CD1-CD1 3.63Å; F223-L239 HydrophobicContact CD1-CG 4.48Å; F223-L239 HydrophobicContact CD2-CB 3.71Å; F223-L239 HydrophobicContact CE1-CB 4.36Å; F223-L239 HydrophobicContact CE1-CD1 3.44Å; F223-L239 VanDerWaalsContact CE1-CD1 3.44Å; F223-L239 HydrophobicContact CE2-CB 4.09Å; F223-L239 HydrophobicContact CE2-CD1 4.35Å; F223-L239 HydrophobicContact CG-CB 3.66Å; F223-L239 HydrophobicContact CG-CD1 4.19Å; F223-L239 HydrophobicContact CZ-CB 4.4Å; F223-L239 HydrophobicContact CZ-CD1 3.82Å; Y235-L239 HydrophobicContact CD1-CD1 4.04Å; Y235-L239 HydrophobicContact CE1-CD1 3.62Å; Y235-L239 HydrophobicContact CE1-CG 4.3Å; Y235-L239 HydrophobicContact CE2-CD1 4.49Å; Y235-L239 HydrophobicContact CE2-CD2 4.17Å; Y235-L239 HydrophobicContact CE2-CG 4.33Å; Y235-L239 WeakPolarHBondContact O-CG 3.21Å; Y235-L239 PolarHBondContact O-N 2.91Å; I236-L239 PolarHBondContact O-N 2.87Å; L239-E242 PolarHBondContact O-N 3.04Å; L239-A243 PolarHBondContact O-N 3.14Å |
| 240 | R | 95.3 | Very high | 95.1 | Very high | 68 Ų | 68 | 52 Ų | 52 | 26% | 0.257 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 175.3 | -167.1 | -179.8 | -173.5 | 176.3 | 4.6 | 112.1 | F223 P225 D226 I236 Q237 A238 A243 H244 | F223-R240 HydrophobicContact CB-CB 4.18Å; F223-R240 WeakPolarHBondContact O-CB 3.38Å; F223-R240 VanDerWaalsContact O-CD 3.28Å; F223-R240 WeakPolarHBondContact O-CD 3.41Å; F223-R240 WeakPolarHBondContact O-CG 3.43Å; P225-R240 VanDerWaalsContact CD-CD 3.44Å; D226-R240 IonicContact OD1-NH1 3.63Å; D226-R240 IonicContact OD2-CZ 2.77Å; D226-R240 IonicContact OD2-NH1 2.74Å; D226-R240 PolarHBondContact OD2-NH1 3.26Å; I236-R240 PolarHBondContact O-N 3.49Å; Q237-R240 PolarHBondContact O-N 3.39Å; A238-R240 VanDerWaalsContact C-N 3.34Å; A238-R240 PolarHBondContact O-N 3.47Å; R240-A243 PolarHBondContact O-N 3.17Å; R240-H244 PolarHBondContact O-N 2.91Å; R240-H244 VanDerWaalsContact O-N 3.13Å; R240-H244 PolarHBondContact O-ND1 2.98Å |
| 241 | R | 95.4 | Very high | 95 | Very high | 147 Ų | 147 | 51.3 Ų | 51.3 | 56% | 0.555 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -64 | -44.1 | 176.6 | -75 | -169.6 | -58 | -94.9 | 0.2 | 111.4 | Q237 A238 A243 H244 Q245 | Q237-R241 WeakPolarHBondContact O-CG 3.26Å; Q237-R241 PolarHBondContact O-N 3.35Å; A238-R241 PolarHBondContact O-N 2.99Å; A238-R241 VanDerWaalsContact O-N 3.14Å; R241-A243 PolarHBondContact O-N 3.33Å; R241-H244 PolarHBondContact O-N 2.98Å; R241-Q245 WeakPolarHBondContact O-CB 3.07Å; R241-Q245 PolarHBondContact O-N 3.41Å |
| 242 | E | 94.8 | Very high | 94.9 | Very high | 54 Ų | 54 | 52.4 Ų | 52.4 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.6 | -42.9 | 177.2 | -73.7 | -176.5 | -148 | 0 | 0 | 112 | I20 A238 L239 H244 Q245 A246 | I20-E242 WeakPolarHBondContact CB-OE2 3.42Å; I20-E242 WeakPolarHBondContact CD1-OE2 3.34Å; A238-E242 WeakPolarHBondContact O-CG 3.35Å; A238-E242 PolarHBondContact O-N 3.02Å; L239-E242 PolarHBondContact O-N 3.04Å; E242-H244 PolarHBondContact O-N 3.21Å; E242-Q245 PolarHBondContact O-N 3.37Å; E242-A246 VanDerWaalsContact O-CB 3.28Å; E242-A246 WeakPolarHBondContact O-CB 3.28Å; E242-A246 PolarHBondContact O-N 3.25Å |
| 243 | A | 94.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L239 R240 R241 L247 | L239-A243 PolarHBondContact O-N 3.14Å; R240-A243 PolarHBondContact O-N 3.17Å; R241-A243 PolarHBondContact O-N 3.33Å; A243-L247 PolarHBondContact O-N 3.3Å; A243-L247 VanDerWaalsContact O-N 3.11Å |
| 244 | H | 93.4 | Very high | 94.7 | Very high | 56 Ų | 56 | 59.3 Ų | 59.3 | 26% | 0.259 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 174.8 | -84.6 | 138.3 | 0 | 0 | 0 | 113.1 | T220 R240 R241 E242 A246 L247 N248 | T220-H244 VanDerWaalsContact CG2-CE1 3.49Å; T220-H244 WeakPolarHBondContact CG2-CE1 3.39Å; T220-H244 WeakPolarHBondContact CG2-NE2 3.14Å; R240-H244 PolarHBondContact O-N 2.91Å; R240-H244 VanDerWaalsContact O-N 3.13Å; R240-H244 PolarHBondContact O-ND1 2.98Å; R241-H244 PolarHBondContact O-N 2.98Å; E242-H244 PolarHBondContact O-N 3.21Å; H244-A246 VanDerWaalsContact C-N 3.34Å; H244-L247 PolarHBondContact O-N 3.31Å; H244-N248 PolarHBondContact O-N 3.48Å |
| 245 | Q | 94.9 | Very high | 94.5 | Very high | 111 Ų | 111 | 54.8 Ų | 54.8 | 52% | 0.519 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.5 | -45.2 | 179.1 | 179.2 | 174.6 | -8.8 | 0 | 0 | 110.6 | R241 E242 L247 N248 E249 | R241-Q245 WeakPolarHBondContact O-CB 3.07Å; R241-Q245 PolarHBondContact O-N 3.41Å; E242-Q245 PolarHBondContact O-N 3.37Å; Q245-L247 VanDerWaalsContact C-N 3.33Å; Q245-L247 PolarHBondContact O-N 3.17Å; Q245-N248 PolarHBondContact O-N 3.45Å; Q245-E249 HydrophobicContact CG-CG 4.34Å; Q245-E249 VanDerWaalsContact CG-OE1 3.29Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.49Å; Q245-E249 PolarHBondContact NE2-OE1 3.26Å; Q245-E249 WeakPolarHBondContact O-CB 3.44Å; Q245-E249 WeakPolarHBondContact O-CG 3.21Å; Q245-E249 PolarHBondContact O-N 3.34Å |
| 246 | A | 93.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.2 | -45 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L21 Y216 E242 H244 E249 H250 | L21-A246 HydrophobicContact CD1-CB 3.24Å; L21-A246 HydrophobicContact CD2-CB 3.25Å; L21-A246 HydrophobicContact CG-CB 3.79Å; Y216-A246 HydrophobicContact CD1-CB 3.63Å; Y216-A246 HydrophobicContact CE1-CB 3.53Å; Y216-A246 HydrophobicContact CG-CB 4.22Å; E242-A246 VanDerWaalsContact O-CB 3.28Å; E242-A246 WeakPolarHBondContact O-CB 3.28Å; E242-A246 PolarHBondContact O-N 3.25Å; H244-A246 VanDerWaalsContact C-N 3.34Å; A246-E249 PolarHBondContact O-N 2.94Å; A246-H250 VanDerWaalsContact O-CB 3.23Å; A246-H250 WeakPolarHBondContact O-CB 3.4Å; A246-H250 PolarHBondContact O-N 3.08Å |
| 247 | L | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 176.8 | -178.6 | 61.1 | 0 | 0 | 0 | 110.9 | E213 Y216 L217 A243 H244 Q245 H250 V251 F262 L265 | E213-L247 HydrophobicContact CB-CD1 3.99Å; E213-L247 HydrophobicContact CG-CD1 3.86Å; Y216-L247 HydrophobicContact CD2-CB 4.32Å; Y216-L247 HydrophobicContact CD2-CD1 4.03Å; Y216-L247 HydrophobicContact CG-CB 4.34Å; L217-L247 HydrophobicContact CD2-CD2 3.7Å; L217-L247 HydrophobicContact CG-CD2 4.28Å; A243-L247 PolarHBondContact O-N 3.3Å; A243-L247 VanDerWaalsContact O-N 3.11Å; H244-L247 PolarHBondContact O-N 3.31Å; Q245-L247 VanDerWaalsContact C-N 3.33Å; Q245-L247 PolarHBondContact O-N 3.17Å; L247-H250 PolarHBondContact O-N 2.84Å; L247-V251 HydrophobicContact CD1-CG2 4.37Å; L247-V251 WeakPolarHBondContact O-CB 3.48Å; L247-V251 VanDerWaalsContact O-CG2 3.27Å; L247-V251 WeakPolarHBondContact O-CG2 3.26Å; L247-V251 PolarHBondContact O-N 3.29Å; L247-F262 HydrophobicContact CB-CE2 4.1Å; L247-F262 HydrophobicContact CD2-CD2 4.26Å; L247-F262 HydrophobicContact CD2-CE2 3.95Å; L247-F262 HydrophobicContact CG-CD2 4.03Å; L247-F262 HydrophobicContact CG-CE2 3.91Å; L247-L265 HydrophobicContact CD1-CD1 4Å; L247-L265 HydrophobicContact CD2-CD1 4.5Å; L247-L265 HydrophobicContact CG-CD1 4.44Å |
| 248 | N | 94.7 | Very high | 93.7 | Very high | 41 Ų | 41 | 69.4 Ų | 69.4 | 22% | 0.219 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 179.5 | -172.8 | 33.7 | 0 | 0 | 0 | 112 | H244 Q245 V251 R252 F262 | H244-N248 PolarHBondContact O-N 3.48Å; Q245-N248 PolarHBondContact O-N 3.45Å; N248-V251 PolarHBondContact O-N 3.38Å; N248-R252 WeakPolarHBondContact O-CB 3.43Å; N248-R252 VanDerWaalsContact O-CG 3.28Å; N248-R252 WeakPolarHBondContact O-CG 3.49Å; N248-R252 PolarHBondContact O-N 3.44Å; N248-R252 PolarHBondContact OD1-NE 3.12Å; N248-F262 HydrophobicContact CB-CD2 3.84Å; N248-F262 HydrophobicContact CB-CE2 3.59Å; N248-F262 HydrophobicContact CB-CG 4.44Å; N248-F262 HydrophobicContact CB-CZ 3.98Å |
| 249 | E | 94 | Very high | 93.5 | Very high | 89 Ų | 89 | 73.8 Ų | 73.8 | 42% | 0.416 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 176 | -74 | 174.5 | -173.3 | 0 | 0 | 111.3 | Q245 A246 V251 R252 L253 | Q245-E249 HydrophobicContact CG-CG 4.34Å; Q245-E249 VanDerWaalsContact CG-OE1 3.29Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.49Å; Q245-E249 PolarHBondContact NE2-OE1 3.26Å; Q245-E249 WeakPolarHBondContact O-CB 3.44Å; Q245-E249 WeakPolarHBondContact O-CG 3.21Å; Q245-E249 PolarHBondContact O-N 3.34Å; A246-E249 PolarHBondContact O-N 2.94Å; E249-V251 PolarHBondContact O-N 3.08Å; E249-R252 PolarHBondContact O-N 3.1Å; E249-L253 WeakPolarHBondContact O-CB 3.43Å; E249-L253 VanDerWaalsContact O-CG 3.24Å; E249-L253 WeakPolarHBondContact O-CG 3.44Å; E249-L253 PolarHBondContact O-N 3.14Å |
| 250 | H | 93.4 | Very high | 93.5 | Very high | 22 Ų | 22 | 79 Ų | 79 | 10% | 0.102 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 176.9 | -177 | 69.5 | 0 | 0 | 0 | 112 | Y216 A246 L247 R252 L253 I254 | Y216-H250 HydrophobicContact CD2-CB 4.44Å; Y216-H250 HydrophobicContact CE2-CB 3.75Å; Y216-H250 AromaticContact CE2-CG 3.92Å; A246-H250 VanDerWaalsContact O-CB 3.23Å; A246-H250 WeakPolarHBondContact O-CB 3.4Å; A246-H250 PolarHBondContact O-N 3.08Å; L247-H250 PolarHBondContact O-N 2.84Å; H250-R252 PolarHBondContact O-N 3.39Å; H250-L253 PolarHBondContact O-N 3.23Å; H250-I254 VanDerWaalsContact CE1-CG1 3.43Å; H250-I254 WeakPolarHBondContact CE1-CG1 3.39Å; H250-I254 WeakPolarHBondContact O-CG1 3.27Å; H250-I254 PolarHBondContact O-N 3.09Å |
| 251 | V | 94.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 76.5 Ų | 76.5 | 4% | 0.036 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 176.6 | 166.6 | 0 | 0 | 0 | 0 | 110.9 | L247 N248 E249 L253 H255 R261 F262 L265 | L247-V251 HydrophobicContact CD1-CG2 4.37Å; L247-V251 WeakPolarHBondContact O-CB 3.48Å; L247-V251 VanDerWaalsContact O-CG2 3.27Å; L247-V251 WeakPolarHBondContact O-CG2 3.26Å; L247-V251 PolarHBondContact O-N 3.29Å; N248-V251 PolarHBondContact O-N 3.38Å; E249-V251 PolarHBondContact O-N 3.08Å; V251-L253 VanDerWaalsContact C-N 3.26Å; V251-L253 PolarHBondContact O-N 3.11Å; V251-H255 HydrophobicContact CG1-CB 4.46Å; V251-H255 CarbonylContact O-C 3.5Å; V251-H255 WeakPolarHBondContact O-CA 3.31Å; V251-H255 WeakPolarHBondContact O-CB 3.29Å; V251-H255 PolarHBondContact O-N 2.96Å; V251-R261 HydrophobicContact CG1-CB 3.74Å; V251-R261 HydrophobicContact CG1-CG 4.12Å; V251-R261 HydrophobicContact CG2-CG 4.31Å; V251-F262 HydrophobicContact CG1-CB 4.21Å; V251-L265 HydrophobicContact CG2-CD1 3.72Å |
| 252 | R | 93.4 | Very high | 93.5 | Very high | 172 Ų | 172 | 71.8 Ų | 71.8 | 65% | 0.649 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.6 | -32.9 | 178.1 | -75.3 | 175.2 | 176.8 | -169.3 | -4.3 | 113 | N248 E249 H250 R256 | N248-R252 WeakPolarHBondContact O-CB 3.43Å; N248-R252 VanDerWaalsContact O-CG 3.28Å; N248-R252 WeakPolarHBondContact O-CG 3.49Å; N248-R252 PolarHBondContact O-N 3.44Å; N248-R252 PolarHBondContact OD1-NE 3.12Å; E249-R252 PolarHBondContact O-N 3.1Å; H250-R252 PolarHBondContact O-N 3.39Å; R252-R256 VanDerWaalsContact O-CG 3.26Å; R252-R256 WeakPolarHBondContact O-CG 3.4Å |
| 253 | L | 93.4 | Very high | 93.6 | Very high | 108 Ų | 108 | 70.9 Ų | 70.9 | 57% | 0.565 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -78.7 | -44.6 | -178.8 | -73 | 170.9 | 0 | 0 | 0 | 112.5 | E249 H250 V251 R256 | E249-L253 WeakPolarHBondContact O-CB 3.43Å; E249-L253 VanDerWaalsContact O-CG 3.24Å; E249-L253 WeakPolarHBondContact O-CG 3.44Å; E249-L253 PolarHBondContact O-N 3.14Å; H250-L253 PolarHBondContact O-N 3.23Å; V251-L253 VanDerWaalsContact C-N 3.26Å; V251-L253 PolarHBondContact O-N 3.11Å; L253-R256 PolarHBondContact O-NE 2.76Å |
| 254 | I | 93.9 | Very high | 93.8 | Very high | 106 Ų | 106 | 74.5 Ų | 74.5 | 54% | 0.544 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -91.6 | -37.1 | -172.6 | -57.5 | -55.1 | 0 | 0 | 0 | 112.4 | H250 | H250-I254 VanDerWaalsContact CE1-CG1 3.43Å; H250-I254 WeakPolarHBondContact CE1-CG1 3.39Å; H250-I254 WeakPolarHBondContact O-CG1 3.27Å; H250-I254 PolarHBondContact O-N 3.09Å |
| 255 | H | 91.1 | Very high | 94 | Very high | 54 Ų | 54 | 71.9 Ų | 71.9 | 25% | 0.25 | 35% | 0.351 | C | S | . | . | trans | -115.5 | 55.6 | -173.9 | -60.3 | -80.4 | 0 | 0 | 0 | 111.2 | E213 V251 D257 D258 R261 | E213-H255 IonicContact OE1-CD2 2.82Å; E213-H255 IonicContact OE1-NE2 3.68Å; V251-H255 HydrophobicContact CG1-CB 4.46Å; V251-H255 CarbonylContact O-C 3.5Å; V251-H255 WeakPolarHBondContact O-CA 3.31Å; V251-H255 WeakPolarHBondContact O-CB 3.29Å; V251-H255 PolarHBondContact O-N 2.96Å; H255-D257 PolarHBondContact O-N 2.97Å; H255-D258 HydrophobicContact CB-CB 4.49Å; H255-D258 PolarHBondContact O-N 2.94Å; H255-D258 VanDerWaalsContact O-N 3.13Å; H255-R261 WeakPolarHBondContact CD2-CD 3.33Å; H255-R261 PolarHBondContact CD2-NE 3.05Å; H255-R261 PolarHBondContact NE2-NE 3.11Å; H255-R261 VanDerWaalsContact NE2-NE 3.13Å | ||
| 256 | R | 88.4 | Confident | 94.1 | Very high | 190 Ų | 190 | 69.2 Ų | 69.2 | 72% | 0.717 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -33.8 | -175.8 | -67.4 | 178.9 | -175.6 | -148.5 | 0.6 | 113.3 | R252 L253 | R252-R256 VanDerWaalsContact O-CG 3.26Å; R252-R256 WeakPolarHBondContact O-CG 3.4Å; L253-R256 PolarHBondContact O-NE 2.76Å |
| 257 | D | 92.7 | Very high | 94.2 | Very high | 167 Ų | 167 | 73.6 Ų | 73.6 | 89% | 0.893 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -11.5 | -176 | -53.4 | -47.7 | 0 | 0 | 0 | 113.5 | H255 | H255-D257 PolarHBondContact O-N 2.97Š|
| 258 | D | 91.9 | Very high | 94.3 | Very high | 44 Ų | 44 | 73.7 Ų | 73.7 | 24% | 0.235 | 36% | 0.363 | C | S | . | . | trans | -107.2 | 76 | 176.1 | -170.5 | 2.6 | 0 | 0 | 0 | 110.6 | H255 M260 R261 K264 | H255-D258 HydrophobicContact CB-CB 4.49Å; H255-D258 PolarHBondContact O-N 2.94Å; H255-D258 VanDerWaalsContact O-N 3.13Å; D258-M260 PolarHBondContact O-N 3.2Å; D258-M260 PolarHBondContact OD1-N 3.4Å; D258-R261 HydrophobicContact CB-CB 4.04Å; D258-R261 WeakPolarHBondContact O-CB 3.47Å; D258-R261 PolarHBondContact O-N 3.47Å; D258-R261 PolarHBondContact OD1-N 2.86Å; D258-K264 IonicContact OD1-NZ 3.6Å; D258-K264 PolarHBondContact OD1-NZ 3.47Å; D258-K264 IonicContact OD2-NZ 2.87Å; D258-K264 PolarHBondContact OD2-NZ 2.96Å | ||
| 259 | S | 90.4 | Very high | 94.4 | Very high | 110 Ų | 110 | 72.9 Ų | 72.9 | 77% | 0.769 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -21.4 | 177.9 | 61 | 0 | 0 | 0 | 0 | 113.6 | ||
| 260 | M | 95 | Very high | 94.6 | Very high | 110 Ų | 110 | 71.6 Ų | 71.6 | 54% | 0.542 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -4.8 | 180 | -64.8 | -58.2 | -65.2 | 0 | 0 | 113.6 | D258 F262 A263 K264 | D258-M260 PolarHBondContact O-N 3.2Å; D258-M260 PolarHBondContact OD1-N 3.4Å; M260-F262 PolarHBondContact O-N 3.18Å; M260-A263 HydrophobicContact CE-CB 4.17Å; M260-A263 PolarHBondContact O-N 3.45Å; M260-A263 VanDerWaalsContact O-N 3.16Å; M260-K264 WeakPolarHBondContact O-CG 3.45Å; M260-K264 PolarHBondContact O-N 3.29Å |
| 261 | R | 96.2 | Very high | 94.7 | Very high | 16 Ų | 16 | 73.4 Ų | 73.4 | 6% | 0.06 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.6 | -45.4 | -175.3 | -173.8 | 171.9 | -178.2 | 84.3 | -3.2 | 112.8 | V207 D208 E213 V251 H255 D258 A263 K264 L265 | V207-R261 PolarHBondContact O-NH1 2.84Å; V207-R261 VanDerWaalsContact O-NH1 3.09Å; D208-R261 PolarHBondContact O-NH2 3.44Å; E213-R261 VanDerWaalsContact CD-NH2 3.32Å; E213-R261 IonicContact OE1-CZ 2.7Å; E213-R261 IonicContact OE1-NE 3.81Å; E213-R261 PolarHBondContact OE1-NE 3Å; E213-R261 IonicContact OE1-NH2 2.68Å; E213-R261 PolarHBondContact OE1-NH2 3.48Å; E213-R261 IonicContact OE2-CZ 3.81Å; E213-R261 IonicContact OE2-NE 3.35Å; E213-R261 IonicContact OE2-NH2 2.86Å; E213-R261 PolarHBondContact OE2-NH2 2.71Å; V251-R261 HydrophobicContact CG1-CB 3.74Å; V251-R261 HydrophobicContact CG1-CG 4.12Å; V251-R261 HydrophobicContact CG2-CG 4.31Å; H255-R261 WeakPolarHBondContact CD2-CD 3.33Å; H255-R261 PolarHBondContact CD2-NE 3.05Å; H255-R261 PolarHBondContact NE2-NE 3.11Å; H255-R261 VanDerWaalsContact NE2-NE 3.13Å; D258-R261 HydrophobicContact CB-CB 4.04Å; D258-R261 WeakPolarHBondContact O-CB 3.47Å; D258-R261 PolarHBondContact O-N 3.47Å; D258-R261 PolarHBondContact OD1-N 2.86Å; R261-A263 VanDerWaalsContact C-N 3.3Å; R261-A263 PolarHBondContact O-N 2.92Å; R261-K264 WeakPolarHBondContact O-CB 3.5Å; R261-K264 PolarHBondContact O-N 3.48Å; R261-K264 VanDerWaalsContact O-N 3.13Å; R261-L265 HydrophobicContact CG-CD1 4.08Å; R261-L265 HydrophobicContact CG-CG 4.4Å; R261-L265 VanDerWaalsContact O-CG 3.3Å; R261-L265 WeakPolarHBondContact O-CG 3.47Å; R261-L265 PolarHBondContact O-N 2.79Å |
| 262 | F | 95.9 | Very high | 94.8 | Very high | 48 Ų | 48 | 73.6 Ų | 73.6 | 21% | 0.211 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 178.3 | -175.6 | -106.7 | 0 | 0 | 0 | 111.3 | L247 N248 V251 M260 L265 L266 | L247-F262 HydrophobicContact CB-CE2 4.1Å; L247-F262 HydrophobicContact CD2-CD2 4.26Å; L247-F262 HydrophobicContact CD2-CE2 3.95Å; L247-F262 HydrophobicContact CG-CD2 4.03Å; L247-F262 HydrophobicContact CG-CE2 3.91Å; N248-F262 HydrophobicContact CB-CD2 3.84Å; N248-F262 HydrophobicContact CB-CE2 3.59Å; N248-F262 HydrophobicContact CB-CG 4.44Å; N248-F262 HydrophobicContact CB-CZ 3.98Å; V251-F262 HydrophobicContact CG1-CB 4.21Å; M260-F262 PolarHBondContact O-N 3.18Å; F262-L265 PolarHBondContact O-N 3.13Å; F262-L266 HydrophobicContact CD1-CD1 4.04Å; F262-L266 HydrophobicContact CD1-CG 4.49Å; F262-L266 HydrophobicContact CE1-CD1 3.47Å; F262-L266 VanDerWaalsContact CE1-CD1 3.47Å; F262-L266 HydrophobicContact CE1-CG 4.17Å; F262-L266 HydrophobicContact CZ-CD1 3.82Å; F262-L266 HydrophobicContact CZ-CD2 4.37Å; F262-L266 HydrophobicContact CZ-CG 4.24Å; F262-L266 WeakPolarHBondContact O-CG 3.33Å; F262-L266 PolarHBondContact O-N 2.79Å |
| 263 | A | 96.5 | Very high | 94.8 | Very high | 36 Ų | 36 | 76.1 Ų | 76.1 | 30% | 0.298 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M260 R261 L265 L266 I267 | M260-A263 HydrophobicContact CE-CB 4.17Å; M260-A263 PolarHBondContact O-N 3.45Å; M260-A263 VanDerWaalsContact O-N 3.16Å; R261-A263 VanDerWaalsContact C-N 3.3Å; R261-A263 PolarHBondContact O-N 2.92Å; A263-L265 VanDerWaalsContact C-N 3.29Å; A263-L265 PolarHBondContact O-N 2.84Å; A263-L266 PolarHBondContact O-N 3.18Å; A263-I267 WeakPolarHBondContact O-CB 3.48Å; A263-I267 VanDerWaalsContact O-CG1 3.25Å; A263-I267 WeakPolarHBondContact O-CG1 3.34Å; A263-I267 PolarHBondContact O-N 3.35Å |
| 264 | K | 97.3 | Very high | 94.8 | Very high | 77 Ų | 77 | 74.3 Ų | 74.3 | 34% | 0.335 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.1 | -40.7 | 176.1 | -68.7 | 169.3 | -170.4 | 162.4 | 0 | 111.7 | V207 D258 M260 R261 I267 A268 | V207-K264 HydrophobicContact CG1-CB 4.45Å; V207-K264 HydrophobicContact CG2-CB 4.47Å; D258-K264 IonicContact OD1-NZ 3.6Å; D258-K264 PolarHBondContact OD1-NZ 3.47Å; D258-K264 IonicContact OD2-NZ 2.87Å; D258-K264 PolarHBondContact OD2-NZ 2.96Å; M260-K264 WeakPolarHBondContact O-CG 3.45Å; M260-K264 PolarHBondContact O-N 3.29Å; R261-K264 WeakPolarHBondContact O-CB 3.5Å; R261-K264 PolarHBondContact O-N 3.48Å; R261-K264 VanDerWaalsContact O-N 3.13Å; K264-I267 PolarHBondContact O-N 2.7Å; K264-A268 PolarHBondContact O-N 3.3Å |
| 265 | L | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.3 | -43.5 | 177.8 | -66.6 | 167.9 | 0 | 0 | 0 | 111.8 | V207 I209 E213 L217 L247 V251 R261 F262 A263 I267 A268 L269 | V207-L265 HydrophobicContact CG1-CD2 3.8Å; V207-L265 HydrophobicContact CG1-CG 4.43Å; I209-L265 HydrophobicContact CB-CD2 4.35Å; I209-L265 HydrophobicContact CD1-CD2 3.91Å; I209-L265 HydrophobicContact CG1-CD2 3.65Å; I209-L265 HydrophobicContact CG2-CD2 4.04Å; E213-L265 HydrophobicContact CG-CD1 4.38Å; L217-L265 HydrophobicContact CD1-CD2 4.39Å; L247-L265 HydrophobicContact CD1-CD1 4Å; L247-L265 HydrophobicContact CD2-CD1 4.5Å; L247-L265 HydrophobicContact CG-CD1 4.44Å; V251-L265 HydrophobicContact CG2-CD1 3.72Å; R261-L265 HydrophobicContact CG-CD1 4.08Å; R261-L265 HydrophobicContact CG-CG 4.4Å; R261-L265 VanDerWaalsContact O-CG 3.3Å; R261-L265 WeakPolarHBondContact O-CG 3.47Å; R261-L265 PolarHBondContact O-N 2.79Å; F262-L265 PolarHBondContact O-N 3.13Å; A263-L265 VanDerWaalsContact C-N 3.29Å; A263-L265 PolarHBondContact O-N 2.84Å; L265-I267 VanDerWaalsContact C-N 3.34Å; L265-I267 PolarHBondContact O-N 3.02Å; L265-A268 PolarHBondContact O-N 3.32Å; L265-L269 WeakPolarHBondContact O-CB 3.43Å; L265-L269 PolarHBondContact O-N 2.94Å |
| 266 | L | 96.6 | Very high | 95.1 | Very high | 55 Ų | 55 | 69.9 Ų | 69.9 | 29% | 0.288 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.7 | -34.8 | 176.1 | -65.7 | -173 | 0 | 0 | 0 | 112.7 | F262 A263 L269 S270 | F262-L266 HydrophobicContact CD1-CD1 4.04Å; F262-L266 HydrophobicContact CD1-CG 4.49Å; F262-L266 HydrophobicContact CE1-CD1 3.47Å; F262-L266 VanDerWaalsContact CE1-CD1 3.47Å; F262-L266 HydrophobicContact CE1-CG 4.17Å; F262-L266 HydrophobicContact CZ-CD1 3.82Å; F262-L266 HydrophobicContact CZ-CD2 4.37Å; F262-L266 HydrophobicContact CZ-CG 4.24Å; F262-L266 WeakPolarHBondContact O-CG 3.33Å; F262-L266 PolarHBondContact O-N 2.79Å; A263-L266 PolarHBondContact O-N 3.18Å; L266-L269 PolarHBondContact O-N 3.31Å; L266-S270 PolarHBondContact O-N 2.97Å |
| 267 | I | 96.9 | Very high | 95.4 | Very high | 95 Ų | 95 | 63.3 Ų | 63.3 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 173.1 | -69.4 | 164.2 | 0 | 0 | 0 | 110.6 | A263 K264 L265 L269 S270 M271 | A263-I267 WeakPolarHBondContact O-CB 3.48Å; A263-I267 VanDerWaalsContact O-CG1 3.25Å; A263-I267 WeakPolarHBondContact O-CG1 3.34Å; A263-I267 PolarHBondContact O-N 3.35Å; K264-I267 PolarHBondContact O-N 2.7Å; L265-I267 VanDerWaalsContact C-N 3.34Å; L265-I267 PolarHBondContact O-N 3.02Å; I267-L269 VanDerWaalsContact C-N 3.29Å; I267-L269 PolarHBondContact O-N 3.2Å; I267-S270 PolarHBondContact O-N 3.11Å; I267-S270 PolarHBondContact O-OG 3.41Å; I267-M271 PolarHBondContact O-N 3.46Å |
| 268 | A | 96.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F200 K203 K264 L265 S270 M271 | F200-A268 WeakPolarHBondContact CD2-O 3.18Å; F200-A268 VanDerWaalsContact CE2-O 3.27Å; F200-A268 WeakPolarHBondContact CE2-O 3.39Å; K203-A268 HydrophobicContact CG-CB 3.98Å; K264-A268 PolarHBondContact O-N 3.3Å; L265-A268 PolarHBondContact O-N 3.32Å; A268-S270 PolarHBondContact O-N 3.45Å; A268-M271 WeakPolarHBondContact O-CB 3.45Å; A268-M271 PolarHBondContact O-N 3.48Å |
| 269 | L | 96.7 | Very high | 95.6 | Very high | 24 Ų | 24 | 58.9 Ų | 58.9 | 13% | 0.126 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.6 | -37.4 | 179.3 | -164.1 | 71.9 | 0 | 0 | 0 | 112.9 | L217 T220 V221 L265 L266 I267 M271 L272 | L217-L269 HydrophobicContact CB-CD1 4.26Å; L217-L269 HydrophobicContact CD2-CB 4.28Å; L217-L269 HydrophobicContact CD2-CD1 4.06Å; L217-L269 HydrophobicContact CD2-CD2 4.02Å; L217-L269 HydrophobicContact CD2-CG 4.35Å; T220-L269 HydrophobicContact CG2-CD2 3.63Å; V221-L269 HydrophobicContact CG2-CD1 3.52Å; V221-L269 HydrophobicContact CG2-CD2 4.38Å; V221-L269 HydrophobicContact CG2-CG 4.28Å; L265-L269 WeakPolarHBondContact O-CB 3.43Å; L265-L269 PolarHBondContact O-N 2.94Å; L266-L269 PolarHBondContact O-N 3.31Å; I267-L269 VanDerWaalsContact C-N 3.29Å; I267-L269 PolarHBondContact O-N 3.2Å; L269-M271 VanDerWaalsContact C-N 3.26Å; L269-M271 PolarHBondContact O-N 3.34Å; L269-L272 HydrophobicContact CD1-CD1 3.65Å; L269-L272 HydrophobicContact CG-CD1 4.41Å; L269-L272 VanDerWaalsContact O-CB 3.31Å; L269-L272 WeakPolarHBondContact O-CB 3.24Å; L269-L272 PolarHBondContact O-N 2.9Å |
| 270 | S | 96.8 | Very high | 96 | Very high | 62 Ų | 62 | 53.6 Ų | 53.6 | 43% | 0.434 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.5 | -25.2 | -179.5 | 72.3 | 0 | 0 | 0 | 0 | 113.2 | L266 I267 A268 L272 R273 | L266-S270 PolarHBondContact O-N 2.97Å; I267-S270 PolarHBondContact O-N 3.11Å; I267-S270 PolarHBondContact O-OG 3.41Å; A268-S270 PolarHBondContact O-N 3.45Å; S270-L272 PolarHBondContact O-N 2.97Å; S270-R273 WeakPolarHBondContact O-CB 3.44Å; S270-R273 WeakPolarHBondContact O-CG 3.29Å; S270-R273 PolarHBondContact O-N 3.29Å; S270-R273 VanDerWaalsContact O-N 3.08Å |
| 271 | M | 97.5 | Very high | 96 | Very high | 60 Ų | 60 | 49.2 Ų | 49.2 | 30% | 0.296 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -61.3 | -26 | 173.9 | -65.8 | 175.4 | 68.7 | 0 | 0 | 112.7 | A199 F200 K203 I267 A268 L269 R273 A274 | A199-M271 HydrophobicContact CB-CE 3.99Å; F200-M271 HydrophobicContact CB-CE 4.45Å; F200-M271 HydrophobicContact CD2-CB 4.06Å; K203-M271 HydrophobicContact CB-CE 4.31Å; K203-M271 HydrophobicContact CB-SD 3.85Å; K203-M271 HydrophobicContact CG-SD 3.76Å; I267-M271 PolarHBondContact O-N 3.46Å; A268-M271 WeakPolarHBondContact O-CB 3.45Å; A268-M271 PolarHBondContact O-N 3.48Å; L269-M271 VanDerWaalsContact C-N 3.26Å; L269-M271 PolarHBondContact O-N 3.34Å; M271-R273 PolarHBondContact O-N 2.73Å; M271-R273 VanDerWaalsContact O-N 3.14Å; M271-A274 PolarHBondContact O-N 3.14Å; M271-A274 VanDerWaalsContact O-N 3.1Å |
| 272 | L | 95.7 | Very high | 95.8 | Very high | 11 Ų | 11 | 51.1 Ų | 51.1 | 6% | 0.058 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -58.9 | -25.5 | 175 | -69.9 | 170.8 | 0 | 0 | 0 | 112.5 | P140 V143 F200 V221 L269 S270 A274 I275 | P140-L272 HydrophobicContact CB-CD1 4.26Å; V143-L272 HydrophobicContact CB-CD2 4.08Å; V143-L272 HydrophobicContact CG1-CD2 3.96Å; F200-L272 HydrophobicContact CD1-CD2 4.09Å; F200-L272 HydrophobicContact CD2-CD2 3.91Å; F200-L272 HydrophobicContact CD2-CG 4.02Å; F200-L272 HydrophobicContact CE1-CD2 3.77Å; F200-L272 HydrophobicContact CE2-CD1 4.11Å; F200-L272 HydrophobicContact CE2-CD2 3.56Å; F200-L272 HydrophobicContact CE2-CG 3.51Å; F200-L272 HydrophobicContact CG-CD2 4.15Å; F200-L272 HydrophobicContact CZ-CD1 4.15Å; F200-L272 HydrophobicContact CZ-CD2 3.47Å; F200-L272 VanDerWaalsContact CZ-CD2 3.47Å; F200-L272 HydrophobicContact CZ-CG 3.83Å; V221-L272 HydrophobicContact CG2-CD1 4.2Å; L269-L272 HydrophobicContact CD1-CD1 3.65Å; L269-L272 HydrophobicContact CG-CD1 4.41Å; L269-L272 VanDerWaalsContact O-CB 3.31Å; L269-L272 WeakPolarHBondContact O-CB 3.24Å; L269-L272 PolarHBondContact O-N 2.9Å; S270-L272 PolarHBondContact O-N 2.97Å; L272-A274 PolarHBondContact O-N 2.92Å; L272-I275 HydrophobicContact CD2-CD1 4.3Å; L272-I275 PolarHBondContact O-N 3.35Å; L272-I275 VanDerWaalsContact O-N 3.08Å |
| 273 | R | 93.5 | Very high | 95.8 | Very high | 225 Ų | 225 | 49.1 Ų | 49.1 | 85% | 0.849 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -66.2 | -21.5 | 179.1 | -58 | -177.9 | 81.1 | 162 | 7.1 | 113 | S270 M271 I275 | S270-R273 WeakPolarHBondContact O-CB 3.44Å; S270-R273 WeakPolarHBondContact O-CG 3.29Å; S270-R273 PolarHBondContact O-N 3.29Å; S270-R273 VanDerWaalsContact O-N 3.08Å; M271-R273 PolarHBondContact O-N 2.73Å; M271-R273 VanDerWaalsContact O-N 3.14Å; R273-I275 VanDerWaalsContact C-N 3.32Å |
| 274 | A | 93.3 | Very high | 95.8 | Very high | 70 Ų | 70 | 47.4 Ų | 47.4 | 58% | 0.579 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -83 | -9.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M271 L272 | M271-A274 PolarHBondContact O-N 3.14Å; M271-A274 VanDerWaalsContact O-N 3.1Å; L272-A274 PolarHBondContact O-N 2.92Å |
| 275 | I | 96.1 | Very high | 95.6 | Very high | 17 Ų | 17 | 44 Ų | 44 | 9% | 0.087 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -99.9 | 113.8 | -174.5 | -58.7 | 173.3 | 0 | 0 | 0 | 109.1 | V143 A196 I197 F200 L272 R273 V280 | V143-I275 HydrophobicContact CG1-CD1 3.96Å; V143-I275 HydrophobicContact CG2-CG2 4.4Å; A196-I275 HydrophobicContact CB-CG1 4.42Å; I197-I275 HydrophobicContact CB-CD1 4.48Å; I197-I275 HydrophobicContact CD1-CG2 4.26Å; I197-I275 HydrophobicContact CG1-CD1 4.05Å; I197-I275 HydrophobicContact CG1-CG1 4.18Å; I197-I275 HydrophobicContact CG1-CG2 3.72Å; F200-I275 HydrophobicContact CB-CD1 3.96Å; F200-I275 HydrophobicContact CG-CD1 4.28Å; L272-I275 HydrophobicContact CD2-CD1 4.3Å; L272-I275 PolarHBondContact O-N 3.35Å; L272-I275 VanDerWaalsContact O-N 3.08Å; R273-I275 VanDerWaalsContact C-N 3.32Å; I275-V280 HydrophobicContact CG2-CG2 3.57Å |
| 276 | S | 95.1 | Very high | 95.3 | Very high | 49 Ų | 49 | 48.6 Ų | 48.6 | 34% | 0.343 | 25% | 0.254 | S | S | . | . | trans | -74.6 | 135 | 178.5 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | L278 V279 V280 | S276-L278 PolarHBondContact O-N 3.45Å; S276-L278 PolarHBondContact OG-N 3.25Å; S276-V279 WeakPolarHBondContact O-CB 3.39Å; S276-V279 PolarHBondContact O-N 3.49Å; S276-V279 VanDerWaalsContact O-N 3.1Å; S276-V280 PolarHBondContact O-N 3.44Å; S276-V280 VanDerWaalsContact O-N 3.16Å | ||
| 277 | P | 95.4 | Very high | 94.9 | Very high | 53 Ų | 53 | 49.2 Ų | 49.2 | 34% | 0.344 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55.8 | -33.7 | 171.6 | -25.3 | 34.2 | 0 | 0 | 0 | 113.3 | W138 A139 V280 A281 | W138-P277 HydrophobicContact CZ2-CB 4.06Å; A139-P277 HydrophobicContact CB-CB 3.69Å; A139-P277 HydrophobicContact CB-CG 4.07Å; P277-V280 PolarHBondContact O-N 3.05Å; P277-A281 WeakPolarHBondContact O-CB 3.23Å; P277-A281 PolarHBondContact O-N 3.45Å |
| 278 | L | 94.1 | Very high | 94.5 | Very high | 107 Ų | 107 | 46.2 Ų | 46.2 | 56% | 0.56 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -64.9 | -41.4 | 177.4 | 179.5 | 63 | 0 | 0 | 0 | 111.8 | S276 V280 A281 Q282 | S276-L278 PolarHBondContact O-N 3.45Å; S276-L278 PolarHBondContact OG-N 3.25Å; L278-V280 VanDerWaalsContact C-N 3.34Å; L278-A281 PolarHBondContact O-N 3.44Å; L278-Q282 HydrophobicContact CD1-CG 4.27Å; L278-Q282 HydrophobicContact CG-CG 4.48Å; L278-Q282 WeakPolarHBondContact O-CB 3.27Å; L278-Q282 VanDerWaalsContact O-CG 3.26Å; L278-Q282 WeakPolarHBondContact O-CG 3.43Å; L278-Q282 PolarHBondContact O-N 2.94Å |
| 279 | V | 95 | Very high | 94 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 176.7 | 165.9 | 0 | 0 | 0 | 0 | 109.8 | V189 D193 I197 S276 Q282 L283 | V189-V279 HydrophobicContact CG1-CB 4.3Å; V189-V279 HydrophobicContact CG1-CG1 3.54Å; V189-V279 HydrophobicContact CG1-CG2 4.31Å; D193-V279 HydrophobicContact CB-CB 4.3Å; D193-V279 HydrophobicContact CB-CG1 3.52Å; D193-V279 HydrophobicContact CB-CG2 3.8Å; D193-V279 WeakPolarHBondContact OD2-CG2 3.47Å; I197-V279 HydrophobicContact CD1-CG1 3.87Å; S276-V279 WeakPolarHBondContact O-CB 3.39Å; S276-V279 PolarHBondContact O-N 3.49Å; S276-V279 VanDerWaalsContact O-N 3.1Å; V279-Q282 PolarHBondContact O-N 3.36Å; V279-L283 VanDerWaalsContact O-CB 3.28Å; V279-L283 WeakPolarHBondContact O-CB 3.4Å; V279-L283 PolarHBondContact O-N 2.91Å |
| 280 | V | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 177.3 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | W138 A139 L142 V143 I197 I275 S276 P277 L278 L283 F284 F285 | W138-V280 HydrophobicContact CH2-CB 4.34Å; W138-V280 HydrophobicContact CH2-CG1 4.07Å; W138-V280 HydrophobicContact CZ3-CG1 3.85Å; A139-V280 HydrophobicContact CB-CB 4.26Å; A139-V280 HydrophobicContact CB-CG1 4.3Å; A139-V280 HydrophobicContact CB-CG2 4.35Å; L142-V280 HydrophobicContact CD2-CG1 3.71Å; V143-V280 HydrophobicContact CG2-CG1 4.34Å; V143-V280 HydrophobicContact CG2-CG2 3.76Å; I197-V280 HydrophobicContact CD1-CG2 4.42Å; I275-V280 HydrophobicContact CG2-CG2 3.57Å; S276-V280 PolarHBondContact O-N 3.44Å; S276-V280 VanDerWaalsContact O-N 3.16Å; P277-V280 PolarHBondContact O-N 3.05Å; L278-V280 VanDerWaalsContact C-N 3.34Å; V280-L283 PolarHBondContact O-N 3.34Å; V280-F284 HydrophobicContact CG1-CD2 3.95Å; V280-F284 WeakPolarHBondContact O-CD2 3.39Å; V280-F284 PolarHBondContact O-N 2.76Å; V280-F285 HydrophobicContact CG1-CE2 4.48Å |
| 281 | A | 95.2 | Very high | 92.9 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 14% | 0.14 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | W138 P277 L278 F285 R286 I294 | W138-A281 HydrophobicContact CH2-CB 4.03Å; W138-A281 HydrophobicContact CZ2-CB 4.44Å; P277-A281 WeakPolarHBondContact O-CB 3.23Å; P277-A281 PolarHBondContact O-N 3.45Å; L278-A281 PolarHBondContact O-N 3.44Å; A281-F285 PolarHBondContact O-N 2.72Å; A281-R286 PolarHBondContact O-N 2.9Å; A281-I294 HydrophobicContact CB-CG2 3.91Å |
| 282 | Q | 93.2 | Very high | 92.5 | Very high | 57 Ų | 57 | 50.1 Ų | 50.1 | 27% | 0.266 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | -179.5 | -75 | 178.9 | -8 | 0 | 0 | 112.9 | V189 L278 V279 R286 | V189-Q282 HydrophobicContact CG2-CB 3.66Å; L278-Q282 HydrophobicContact CD1-CG 4.27Å; L278-Q282 HydrophobicContact CG-CG 4.48Å; L278-Q282 WeakPolarHBondContact O-CB 3.27Å; L278-Q282 VanDerWaalsContact O-CG 3.26Å; L278-Q282 WeakPolarHBondContact O-CG 3.43Å; L278-Q282 PolarHBondContact O-N 2.94Å; V279-Q282 PolarHBondContact O-N 3.36Å; Q282-R286 WeakPolarHBondContact O-CB 3.48Å |
| 283 | L | 95.3 | Very high | 92.1 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -77.2 | -48 | -176.6 | -171.6 | 61.7 | 0 | 0 | 0 | 111.7 | L95 F153 V189 I194 I197 V279 V280 | L95-L283 WeakPolarHBondContact CD1-O 3.3Å; L95-L283 HydrophobicContact CD2-CD1 3.86Å; L95-L283 HydrophobicContact CD2-CG 4.1Å; L95-L283 HydrophobicContact CG-CD1 3.83Å; L95-L283 HydrophobicContact CG-CG 4.28Å; F153-L283 HydrophobicContact CE2-CD2 3.91Å; F153-L283 HydrophobicContact CZ-CD2 4.13Å; V189-L283 HydrophobicContact CG2-CB 4.12Å; V189-L283 HydrophobicContact CG2-CD1 4.37Å; I194-L283 HydrophobicContact CD1-CD1 4.43Å; I194-L283 HydrophobicContact CG1-CD1 4.36Å; I194-L283 HydrophobicContact CG1-CD2 4.21Å; I197-L283 HydrophobicContact CD1-CD2 3.99Å; V279-L283 VanDerWaalsContact O-CB 3.28Å; V279-L283 WeakPolarHBondContact O-CB 3.4Å; V279-L283 PolarHBondContact O-N 2.91Å; V280-L283 PolarHBondContact O-N 3.34Å |
| 284 | F | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -101.4 | -20.9 | -167.5 | -63.1 | -69.1 | 0 | 0 | 0 | 115 | T101 C102 A105 L146 F153 I197 V280 | T101-F284 HydrophobicContact CG2-CD1 3.95Å; T101-F284 HydrophobicContact CG2-CE1 3.83Å; C102-F284 VanDerWaalsContact CB-O 3.23Å; C102-F284 WeakPolarHBondContact CB-O 3.2Å; C102-F284 PolarHBondContact SG-O 3.4Å; A105-F284 HydrophobicContact CB-CB 3.89Å; A105-F284 HydrophobicContact CB-CD1 4Å; A105-F284 HydrophobicContact CB-CG 4.12Å; L146-F284 HydrophobicContact CD1-CE1 4.3Å; L146-F284 HydrophobicContact CD1-CE2 4.03Å; L146-F284 HydrophobicContact CD1-CZ 3.89Å; F153-F284 HydrophobicContact CD1-CE1 4.04Å; F153-F284 HydrophobicContact CD1-CZ 4.12Å; F153-F284 HydrophobicContact CE1-CE1 4.06Å; F153-F284 AromaticContact CE1-CZ 3.66Å; F153-F284 HydrophobicContact CE1-CZ 3.66Å; F153-F284 HydrophobicContact CE2-CZ 4.44Å; F153-F284 HydrophobicContact CG-CE1 4.33Å; F153-F284 HydrophobicContact CZ-CE1 4.36Å; F153-F284 AromaticContact CZ-CZ 3.84Å; F153-F284 HydrophobicContact CZ-CZ 3.84Å; I197-F284 HydrophobicContact CD1-CE2 4.2Å; I197-F284 HydrophobicContact CG2-CE2 4.46Å; I197-F284 HydrophobicContact CG2-CZ 4.34Å; V280-F284 HydrophobicContact CG1-CD2 3.95Å; V280-F284 WeakPolarHBondContact O-CD2 3.39Å; V280-F284 PolarHBondContact O-N 2.76Å |
| 285 | F | 93.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -37.9 | -173.9 | -61 | -77.4 | 0 | 0 | 0 | 113.3 | L109 W138 L142 V280 A281 P287 V288 I289 I294 | L109-F285 HydrophobicContact CB-CE1 4.46Å; L109-F285 HydrophobicContact CB-CZ 4.23Å; L109-F285 HydrophobicContact CD2-CE1 3.65Å; L109-F285 HydrophobicContact CD2-CZ 3.7Å; L109-F285 HydrophobicContact CG-CZ 4.43Å; W138-F285 HydrophobicContact CZ3-CD2 4.4Å; W138-F285 AromaticContact CZ3-CE2 3.92Å; W138-F285 HydrophobicContact CZ3-CE2 3.92Å; L142-F285 HydrophobicContact CD1-CZ 4.5Å; L142-F285 HydrophobicContact CD2-CE2 3.31Å; L142-F285 HydrophobicContact CD2-CZ 3.44Å; L142-F285 VanDerWaalsContact CD2-CZ 3.44Å; V280-F285 HydrophobicContact CG1-CE2 4.48Å; A281-F285 PolarHBondContact O-N 2.72Å; F285-P287 VanDerWaalsContact C-N 3.29Å; F285-V288 WeakPolarHBondContact O-CA 3.45Å; F285-V288 PolarHBondContact O-N 2.99Å; F285-I289 HydrophobicContact CB-CD1 4.04Å; F285-I289 HydrophobicContact CB-CG1 4.19Å; F285-I289 WeakPolarHBondContact O-CG1 3.31Å; F285-I289 PolarHBondContact O-N 3.06Å; F285-I294 HydrophobicContact CB-CD1 4.25Å; F285-I294 HydrophobicContact CD1-CD1 3.91Å; F285-I294 HydrophobicContact CD2-CD1 4.32Å; F285-I294 HydrophobicContact CD2-CG1 4.34Å; F285-I294 HydrophobicContact CE1-CD1 4.37Å; F285-I294 HydrophobicContact CG-CD1 3.88Å; F285-I294 HydrophobicContact CG-CG1 4.33Å |
| 286 | R | 91.3 | Very high | 91.6 | Very high | 98 Ų | 98 | 47.5 Ų | 47.5 | 37% | 0.37 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -53.3 | -35.7 | 178.7 | -170.8 | 165.4 | -172.9 | 121.4 | 4.9 | 114.7 | A281 Q282 V288 G290 | A281-R286 PolarHBondContact O-N 2.9Å; Q282-R286 WeakPolarHBondContact O-CB 3.48Å; R286-V288 PolarHBondContact O-N 3.44Å; R286-V288 VanDerWaalsContact O-N 3.09Å; R286-G290 WeakPolarHBondContact CG-O 3.32Å; R286-G290 WeakPolarHBondContact O-CA 3.2Å; R286-G290 PolarHBondContact O-N 3.31Å; R286-G290 VanDerWaalsContact O-N 3.09Å |
| 287 | P | 89.3 | Confident | 91.3 | Very high | 68 Ų | 68 | 45.6 Ų | 45.6 | 44% | 0.442 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.2 | -16 | 173.6 | -25.1 | 36.2 | 0 | 0 | 0 | 114.5 | P98 F285 | P98-P287 HydrophobicContact CB-CB 3.98Å; P98-P287 HydrophobicContact CB-CG 4.47Å; F285-P287 VanDerWaalsContact C-N 3.29Å |
| 288 | V | 87.1 | Confident | 91.1 | Very high | 32 Ų | 32 | 43.1 Ų | 43.1 | 19% | 0.194 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -119.9 | -42.7 | -172.4 | -148.2 | 0 | 0 | 0 | 0 | 113.3 | L53 C102 F285 R286 | L53-V288 HydrophobicContact CB-CG1 3.66Å; L53-V288 HydrophobicContact CD1-CG1 3.77Å; L53-V288 HydrophobicContact CD2-CB 3.37Å; L53-V288 HydrophobicContact CD2-CG1 3.08Å; L53-V288 HydrophobicContact CG-CB 4.39Å; L53-V288 HydrophobicContact CG-CG1 3.59Å; C102-V288 HydrophobicContact CB-CG2 3.25Å; F285-V288 WeakPolarHBondContact O-CA 3.45Å; F285-V288 PolarHBondContact O-N 2.99Å; R286-V288 PolarHBondContact O-N 3.44Å; R286-V288 VanDerWaalsContact O-N 3.09Å |
| 289 | I | 86.1 | Confident | 90.9 | Very high | 21 Ų | 21 | 39.1 Ų | 39.1 | 11% | 0.108 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -93.3 | -2.9 | 177.1 | 67.6 | 174.4 | 0 | 0 | 0 | 113.2 | L53 F285 A291 V292 I294 | L53-I289 HydrophobicContact CD2-CG2 3.38Å; F285-I289 HydrophobicContact CB-CD1 4.04Å; F285-I289 HydrophobicContact CB-CG1 4.19Å; F285-I289 WeakPolarHBondContact O-CG1 3.31Å; F285-I289 PolarHBondContact O-N 3.06Å; I289-A291 PolarHBondContact O-N 2.81Å; I289-V292 HydrophobicContact CB-CB 4.25Å; I289-V292 HydrophobicContact CD1-CB 4.41Å; I289-V292 WeakPolarHBondContact CD1-O 3.44Å; I289-V292 HydrophobicContact CG1-CB 4.45Å; I289-V292 WeakPolarHBondContact O-CB 3.42Å; I289-V292 WeakPolarHBondContact O-CG2 3.26Å; I289-V292 PolarHBondContact O-N 3.33Å; I289-I294 HydrophobicContact CD1-CB 4.09Å; I289-I294 HydrophobicContact CD1-CD1 4.02Å |
| 290 | G | 86.8 | Confident | 90.7 | Very high | 36 Ų | 36 | 43.9 Ų | 43.9 | 37% | 0.371 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | -126.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R286 V292 | R286-G290 WeakPolarHBondContact CG-O 3.32Å; R286-G290 WeakPolarHBondContact O-CA 3.2Å; R286-G290 PolarHBondContact O-N 3.31Å; R286-G290 VanDerWaalsContact O-N 3.09Å; G290-V292 VanDerWaalsContact C-N 3.34Å |
| 291 | A | 84.4 | Confident | 90.2 | Very high | 95 Ų | 95 | 45.1 Ų | 45.1 | 79% | 0.785 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -0.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I289 | I289-A291 PolarHBondContact O-N 2.81Š|
| 292 | V | 88.5 | Confident | 89.9 | Confident | 77 Ų | 77 | 44.8 Ų | 44.8 | 47% | 0.467 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -64.9 | 138.1 | 179.9 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | I289 G290 I294 V297 | I289-V292 HydrophobicContact CB-CB 4.25Å; I289-V292 HydrophobicContact CD1-CB 4.41Å; I289-V292 WeakPolarHBondContact CD1-O 3.44Å; I289-V292 HydrophobicContact CG1-CB 4.45Å; I289-V292 WeakPolarHBondContact O-CB 3.42Å; I289-V292 WeakPolarHBondContact O-CG2 3.26Å; I289-V292 PolarHBondContact O-N 3.33Å; G290-V292 VanDerWaalsContact C-N 3.34Å; V292-I294 PolarHBondContact O-N 3.43Å; V292-V297 HydrophobicContact CG1-CG2 3.64Å |
| 293 | N | 88.3 | Confident | 89.6 | Confident | 71 Ų | 71 | 46.6 Ų | 46.6 | 38% | 0.38 | 25% | 0.253 | S | S | . | . | trans | -71.3 | 119.9 | 176 | -174.7 | -4.2 | 0 | 0 | 0 | 109.9 | E295 E296 V297 | N293-E295 PolarHBondContact O-N 3.09Å; N293-E295 PolarHBondContact OD1-N 3.12Å; N293-E296 HydrophobicContact CB-CB 4.48Å; N293-E296 HydrophobicContact CB-CG 4.08Å; N293-E296 WeakPolarHBondContact O-CB 3.24Å; N293-E296 PolarHBondContact O-N 3.14Å; N293-E296 VanDerWaalsContact O-N 3.09Å; N293-V297 PolarHBondContact O-N 3.36Å | ||
| 294 | I | 91.3 | Very high | 88.6 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 5% | 0.051 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.6 | -33.6 | 178.5 | -173.2 | 59.6 | 0 | 0 | 0 | 111.7 | L109 W138 A281 F285 I289 V292 E296 V297 L298 | L109-I294 HydrophobicContact CD2-CD1 4.26Å; W138-I294 HydrophobicContact CH2-CG1 4.33Å; W138-I294 HydrophobicContact CH2-CG2 3.83Å; W138-I294 HydrophobicContact CZ2-CG2 3.6Å; W138-I294 HydrophobicContact CZ3-CG1 4.37Å; A281-I294 HydrophobicContact CB-CG2 3.91Å; F285-I294 HydrophobicContact CB-CD1 4.25Å; F285-I294 HydrophobicContact CD1-CD1 3.91Å; F285-I294 HydrophobicContact CD2-CD1 4.32Å; F285-I294 HydrophobicContact CD2-CG1 4.34Å; F285-I294 HydrophobicContact CE1-CD1 4.37Å; F285-I294 HydrophobicContact CG-CD1 3.88Å; F285-I294 HydrophobicContact CG-CG1 4.33Å; I289-I294 HydrophobicContact CD1-CB 4.09Å; I289-I294 HydrophobicContact CD1-CD1 4.02Å; V292-I294 PolarHBondContact O-N 3.43Å; I294-E296 VanDerWaalsContact C-N 3.29Å; I294-E296 PolarHBondContact O-N 2.94Å; I294-V297 HydrophobicContact CD1-CB 4.44Å; I294-V297 PolarHBondContact O-N 3.16Å; I294-L298 HydrophobicContact CD1-CG 4.49Å; I294-L298 HydrophobicContact CG1-CD1 4.19Å; I294-L298 HydrophobicContact CG1-CG 4.17Å; I294-L298 WeakPolarHBondContact O-CB 3.32Å; I294-L298 WeakPolarHBondContact O-CG 3.28Å; I294-L298 PolarHBondContact O-N 3.06Å |
| 295 | E | 90.8 | Very high | 86.4 | Confident | 62 Ų | 62 | 59.7 Ų | 59.7 | 29% | 0.29 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.6 | -34.2 | 178.9 | -66.9 | -174.8 | -163.6 | 0 | 0 | 113 | R135 N293 L298 M299 | R135-E295 IonicContact NE-OE2 3.01Å; N293-E295 PolarHBondContact O-N 3.09Å; N293-E295 PolarHBondContact OD1-N 3.12Å; E295-L298 PolarHBondContact O-N 3.36Å; E295-M299 VanDerWaalsContact O-CG 3.31Å; E295-M299 WeakPolarHBondContact O-CG 3.43Å; E295-M299 PolarHBondContact O-N 3.13Å; E295-M299 VanDerWaalsContact O-N 3.08Å |
| 296 | E | 89.9 | Confident | 86 | Confident | 125 Ų | 125 | 62.5 Ų | 62.5 | 58% | 0.584 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67 | -45.9 | 175.3 | -68.5 | 167.6 | -160 | 0 | 0 | 110.5 | N293 I294 L298 M299 E300 | N293-E296 HydrophobicContact CB-CB 4.48Å; N293-E296 HydrophobicContact CB-CG 4.08Å; N293-E296 WeakPolarHBondContact O-CB 3.24Å; N293-E296 PolarHBondContact O-N 3.14Å; N293-E296 VanDerWaalsContact O-N 3.09Å; I294-E296 VanDerWaalsContact C-N 3.29Å; I294-E296 PolarHBondContact O-N 2.94Å; E296-L298 VanDerWaalsContact C-N 3.31Å; E296-L298 PolarHBondContact O-N 2.95Å; E296-M299 PolarHBondContact O-N 3.48Å; E296-E300 PolarHBondContact O-N 2.9Å |
| 297 | V | 89.8 | Confident | 85.7 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 6% | 0.055 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 175.6 | -178.2 | 0 | 0 | 0 | 0 | 111 | V292 N293 I294 M299 E300 M301 | V292-V297 HydrophobicContact CG1-CG2 3.64Å; N293-V297 PolarHBondContact O-N 3.36Å; I294-V297 HydrophobicContact CD1-CB 4.44Å; I294-V297 PolarHBondContact O-N 3.16Å; V297-M299 VanDerWaalsContact C-N 3.32Å; V297-M299 PolarHBondContact O-N 3.32Å; V297-E300 PolarHBondContact O-N 3.36Å; V297-M301 HydrophobicContact CG1-CG 4.37Å; V297-M301 HydrophobicContact CG1-SD 3.98Å; V297-M301 WeakPolarHBondContact O-CB 3.45Å; V297-M301 VanDerWaalsContact O-CG 3.24Å; V297-M301 WeakPolarHBondContact O-CG 3.45Å; V297-M301 PolarHBondContact O-N 3.18Å |
| 298 | L | 90.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 177 | -71.3 | 171.3 | 0 | 0 | 0 | 111.6 | L109 L113 W138 I294 E295 E296 M301 F302 | L109-L298 HydrophobicContact CD1-CD2 3.65Å; L109-L298 HydrophobicContact CD2-CD2 3.62Å; L109-L298 HydrophobicContact CG-CD2 3.88Å; L113-L298 HydrophobicContact CD1-CD2 3.94Å; L113-L298 HydrophobicContact CD2-CD2 4.2Å; L113-L298 HydrophobicContact CG-CD2 4.4Å; W138-L298 HydrophobicContact CB-CD1 3.72Å; W138-L298 HydrophobicContact CD2-CD1 3.56Å; W138-L298 HydrophobicContact CE3-CD1 4.13Å; W138-L298 HydrophobicContact CG-CD1 3.33Å; I294-L298 HydrophobicContact CD1-CG 4.49Å; I294-L298 HydrophobicContact CG1-CD1 4.19Å; I294-L298 HydrophobicContact CG1-CG 4.17Å; I294-L298 WeakPolarHBondContact O-CB 3.32Å; I294-L298 WeakPolarHBondContact O-CG 3.28Å; I294-L298 PolarHBondContact O-N 3.06Å; E295-L298 PolarHBondContact O-N 3.36Å; E296-L298 VanDerWaalsContact C-N 3.31Å; E296-L298 PolarHBondContact O-N 2.95Å; L298-M301 PolarHBondContact O-N 2.82Å; L298-F302 VanDerWaalsContact O-CB 3.32Å; L298-F302 WeakPolarHBondContact O-CB 3.25Å; L298-F302 PolarHBondContact O-N 2.98Å |
| 299 | M | 90.1 | Very high | 85.4 | Confident | 24 Ų | 24 | 61.8 Ų | 61.8 | 12% | 0.118 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.9 | -41.2 | 179.3 | -68.5 | -46.6 | 107.6 | 0 | 0 | 112 | L131 I134 R135 E295 E296 V297 M301 F302 Y303 | L131-M299 HydrophobicContact CD1-CE 4.13Å; L131-M299 HydrophobicContact CD1-CG 3.84Å; L131-M299 HydrophobicContact CD1-SD 3.07Å; L131-M299 WeakPolarHBondContact CD1-SD 3.36Å; I134-M299 HydrophobicContact CB-CE 4.09Å; I134-M299 HydrophobicContact CG2-CE 3.5Å; I134-M299 VanDerWaalsContact CG2-CE 3.5Å; R135-M299 HydrophobicContact CG-CE 4.39Å; E295-M299 VanDerWaalsContact O-CG 3.31Å; E295-M299 WeakPolarHBondContact O-CG 3.43Å; E295-M299 PolarHBondContact O-N 3.13Å; E295-M299 VanDerWaalsContact O-N 3.08Å; E296-M299 PolarHBondContact O-N 3.48Å; V297-M299 VanDerWaalsContact C-N 3.32Å; V297-M299 PolarHBondContact O-N 3.32Å; M299-M301 VanDerWaalsContact C-N 3.31Å; M299-M301 PolarHBondContact O-N 3.13Å; M299-F302 PolarHBondContact O-N 3.03Å; M299-Y303 PolarHBondContact O-N 3.24Å; M299-Y303 HydrophobicContact SD-CD2 4.2Å; M299-Y303 HydrophobicContact SD-CE2 3.84Å |
| 300 | E | 89.2 | Confident | 85.4 | Confident | 109 Ų | 109 | 64.4 Ų | 64.4 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 172.7 | -170.7 | -178.4 | 175.6 | 0 | 0 | 111 | E296 V297 F302 G304 | E296-E300 PolarHBondContact O-N 2.9Å; V297-E300 PolarHBondContact O-N 3.36Å; E300-F302 PolarHBondContact O-N 2.87Å; E300-G304 WeakPolarHBondContact O-CA 3.49Å; E300-G304 PolarHBondContact O-N 3.34Å |
| 301 | M | 87.6 | Confident | 85.3 | Confident | 27 Ų | 27 | 66.3 Ų | 66.3 | 13% | 0.133 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.3 | -33.5 | 177.6 | -71.7 | 176.3 | 69.5 | 0 | 0 | 113.5 | L49 V110 L113 V297 L298 M299 | L49-M301 HydrophobicContact CD1-CE 3.52Å; L49-M301 HydrophobicContact CD1-SD 4.09Å; L49-M301 HydrophobicContact CD2-SD 4.33Å; L49-M301 HydrophobicContact CG-CE 4.07Å; L49-M301 HydrophobicContact CG-SD 4.07Å; V110-M301 HydrophobicContact CG2-CE 3.51Å; L113-M301 HydrophobicContact CD1-CB 3.83Å; L113-M301 HydrophobicContact CD1-CE 4.06Å; L113-M301 HydrophobicContact CD1-SD 4.34Å; V297-M301 HydrophobicContact CG1-CG 4.37Å; V297-M301 HydrophobicContact CG1-SD 3.98Å; V297-M301 WeakPolarHBondContact O-CB 3.45Å; V297-M301 VanDerWaalsContact O-CG 3.24Å; V297-M301 WeakPolarHBondContact O-CG 3.45Å; V297-M301 PolarHBondContact O-N 3.18Å; L298-M301 PolarHBondContact O-N 2.82Å; M299-M301 VanDerWaalsContact C-N 3.31Å; M299-M301 PolarHBondContact O-N 3.13Å |
| 302 | F | 87.6 | Confident | 85.3 | Confident | 9 Ų | 9 | 64.2 Ų | 64.2 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -79.4 | -46.1 | -175.7 | -165.1 | -94.2 | 0 | 0 | 0 | 112.1 | L113 V116 K117 F122 I134 L298 M299 E300 | L113-F302 HydrophobicContact CB-CD2 4.44Å; L113-F302 HydrophobicContact CD2-CD2 4.17Å; V116-F302 HydrophobicContact CB-CE2 4.2Å; V116-F302 HydrophobicContact CG1-CE2 3.93Å; V116-F302 HydrophobicContact CG1-CZ 4.17Å; K117-F302 HydrophobicContact CB-CE2 3.73Å; K117-F302 HydrophobicContact CB-CZ 4.01Å; K117-F302 HydrophobicContact CG-CE2 4.38Å; K117-F302 HydrophobicContact CG-CZ 4.32Å; K117-F302 PolarHBondContact NZ-O 3.47Å; F122-F302 HydrophobicContact CD1-CZ 4.39Å; F122-F302 HydrophobicContact CE1-CE1 4.22Å; F122-F302 AromaticContact CE1-CZ 3.7Å; F122-F302 HydrophobicContact CE1-CZ 3.7Å; I134-F302 HydrophobicContact CD1-CD1 3.71Å; I134-F302 HydrophobicContact CD1-CD2 3.86Å; I134-F302 HydrophobicContact CD1-CE1 3.58Å; I134-F302 HydrophobicContact CD1-CE2 3.74Å; I134-F302 HydrophobicContact CD1-CG 3.84Å; I134-F302 HydrophobicContact CD1-CZ 3.61Å; L298-F302 VanDerWaalsContact O-CB 3.32Å; L298-F302 WeakPolarHBondContact O-CB 3.25Å; L298-F302 PolarHBondContact O-N 2.98Å; M299-F302 PolarHBondContact O-N 3.03Å; E300-F302 PolarHBondContact O-N 2.87Å |
| 303 | Y | 87.8 | Confident | 85.1 | Confident | 95 Ų | 95 | 63.2 Ų | 63.2 | 37% | 0.373 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -100.8 | -16.7 | -176.6 | -63.4 | -70.2 | 0 | 0 | 0 | 114 | M299 | M299-Y303 PolarHBondContact O-N 3.24Å; M299-Y303 HydrophobicContact SD-CD2 4.2Å; M299-Y303 HydrophobicContact SD-CE2 3.84Å |
| 304 | G | 75.2 | Confident | 84.8 | Confident | 28 Ų | 28 | 62.6 Ų | 62.6 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | trans | -62.6 | 144.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E300 | E300-G304 WeakPolarHBondContact O-CA 3.49Å; E300-G304 PolarHBondContact O-N 3.34Å | ||
| 305 | K | 47.9 | Very low | 84.2 | Confident | 253 Ų | 253 | 67.4 Ų | 67.4 | 100% | 1.1 | 32% | 0.317 | S | S | * | . | trans | -76.8 | 0 | -177.8 | -68.6 | -179.1 | 178.1 | 175.4 | 0 | 111.3 | Q41 | Q41-K305 PolarHBondContact NE2-OXT 2.9Š|
Retrieved 305 of 305 residues in 219.1 ms
(Link to these results)