| 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 | 46.3 | Very low | 57.1 | Low | 154 Ų | 154 | 71.9 Ų | 71.9 | 76% | 0.759 | 40% | 0.403 | S | S | * | . | 0 | -78.1 | 0 | -149.4 | 166.4 | -163.6 | 0 | 0 | 110.6 | A3 N4 F5 | M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.37Å; M1-N4 PolarHBondContact N-OD1 3.25Å; M1-N4 PolarHBondContact O-N 3.4Å; M1-F5 WeakPolarHBondContact O-CB 3.47Å; M1-F5 PolarHBondContact O-N 2.78Å | |||
| 2 | V | 55.1 | Low | 56.7 | Low | 60 Ų | 60 | 78.8 Ų | 78.8 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -55 | -43.2 | 178.7 | -177.8 | 0 | 0 | 0 | 0 | 113 | N4 F5 L6 L53 L56 | V2-N4 PolarHBondContact O-N 3.25Å; V2-F5 WeakPolarHBondContact O-CB 3.49Å; V2-F5 PolarHBondContact O-N 3.44Å; V2-L6 HydrophobicContact CG1-CD1 4.1Å; V2-L6 WeakPolarHBondContact O-CG 3.48Å; V2-L6 PolarHBondContact O-N 3.28Å; V2-L53 HydrophobicContact CG1-CD2 4.49Å; V2-L56 HydrophobicContact CG1-CD2 3.98Å |
| 3 | A | 54 | Low | 56.3 | Low | 21 Ų | 21 | 85.8 Ų | 85.8 | 17% | 0.174 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -57.6 | -50.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1 F5 L6 T7 A66 | M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.37Å; A3-F5 VanDerWaalsContact C-N 3.28Å; A3-F5 PolarHBondContact O-N 3.06Å; A3-L6 PolarHBondContact O-N 3Å; A3-T7 PolarHBondContact O-N 2.88Å; A3-T7 PolarHBondContact O-OG1 2.91Å; A3-A66 HydrophobicContact CB-CB 3.98Å |
| 4 | N | 58.1 | Low | 55.6 | Low | 98 Ų | 98 | 90.4 Ų | 90.4 | 52% | 0.524 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.9 | -32.4 | 176.7 | -48.7 | 72 | 0 | 0 | 0 | 112.9 | M1 V2 T7 N8 | M1-N4 PolarHBondContact N-OD1 3.25Å; M1-N4 PolarHBondContact O-N 3.4Å; V2-N4 PolarHBondContact O-N 3.25Å; N4-T7 WeakPolarHBondContact CA-OG1 3.41Å; N4-T7 PolarHBondContact O-OG1 3.46Å; N4-T7 VanDerWaalsContact O-OG1 3.12Å; N4-N8 WeakPolarHBondContact O-CB 3.43Å; N4-N8 PolarHBondContact O-N 3.38Å; N4-N8 PolarHBondContact O-OD1 3.11Å |
| 5 | F | 65.4 | Low | 55.5 | Low | 13 Ų | 13 | 90.9 Ų | 90.9 | 6% | 0.057 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -66.4 | -44.8 | 176.2 | 176.8 | -92.9 | 0 | 0 | 0 | 110.6 | M1 V2 A3 N8 L9 I29 Q32 L33 L36 F49 L53 | M1-F5 WeakPolarHBondContact O-CB 3.47Å; M1-F5 PolarHBondContact O-N 2.78Å; V2-F5 WeakPolarHBondContact O-CB 3.49Å; V2-F5 PolarHBondContact O-N 3.44Å; A3-F5 VanDerWaalsContact C-N 3.28Å; A3-F5 PolarHBondContact O-N 3.06Å; F5-N8 PolarHBondContact O-N 2.88Å; F5-L9 HydrophobicContact CD1-CD1 3.75Å; F5-L9 HydrophobicContact CE1-CD1 3.52Å; F5-L9 HydrophobicContact CE1-CG 4.48Å; F5-L9 HydrophobicContact CZ-CD1 4.19Å; F5-L9 WeakPolarHBondContact O-CB 3.37Å; F5-L9 WeakPolarHBondContact O-CG 3.45Å; F5-L9 PolarHBondContact O-N 3.16Å; F5-I29 HydrophobicContact CZ-CG2 4.39Å; F5-Q32 HydrophobicContact CD2-CB 4.21Å; F5-Q32 HydrophobicContact CD2-CG 3.33Å; F5-Q32 HydrophobicContact CE2-CB 3.58Å; F5-Q32 HydrophobicContact CE2-CG 3.22Å; F5-Q32 HydrophobicContact CG-CG 4.13Å; F5-Q32 HydrophobicContact CZ-CB 3.97Å; F5-Q32 HydrophobicContact CZ-CG 3.94Å; F5-Q32 PolarHBondContact O-NE2 2.95Å; F5-L33 HydrophobicContact CE2-CD2 3.66Å; F5-L33 HydrophobicContact CE2-CG 3.85Å; F5-L33 HydrophobicContact CZ-CD2 4.04Å; F5-L33 HydrophobicContact CZ-CG 3.98Å; F5-L36 HydrophobicContact CD2-CD1 3.68Å; F5-L36 HydrophobicContact CE2-CD1 4.21Å; F5-F49 HydrophobicContact CE1-CE1 4.07Å; F5-F49 HydrophobicContact CE1-CZ 4.25Å; F5-F49 AromaticContact CZ-CE1 3.93Å; F5-F49 HydrophobicContact CZ-CE1 3.93Å; F5-F49 HydrophobicContact CZ-CZ 4.34Å; F5-L53 HydrophobicContact CE1-CD1 4.01Å |
| 6 | L | 63.1 | Low | 55.3 | Low | 16 Ų | 16 | 94.5 Ų | 94.5 | 8% | 0.084 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 175.7 | -67.9 | 169.5 | 0 | 0 | 0 | 112.7 | V2 A3 L9 F24 W62 | V2-L6 HydrophobicContact CG1-CD1 4.1Å; V2-L6 WeakPolarHBondContact O-CG 3.48Å; V2-L6 PolarHBondContact O-N 3.28Å; A3-L6 PolarHBondContact O-N 3Å; L6-L9 HydrophobicContact CD2-CD1 4.37Å; L6-L9 PolarHBondContact O-N 3.41Å; L6-F24 HydrophobicContact CD2-CE2 3.79Å; L6-F24 HydrophobicContact CD2-CZ 4.02Å; L6-W62 HydrophobicContact CD1-CB 4.1Å; L6-W62 HydrophobicContact CD1-CE3 4.24Å |
| 7 | T | 60.8 | Low | 54.7 | Low | 86 Ų | 86 | 98.5 Ų | 98.5 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.5 | -36.3 | 175 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | A3 N4 L9 R10 | A3-T7 PolarHBondContact O-N 2.88Å; A3-T7 PolarHBondContact O-OG1 2.91Å; N4-T7 WeakPolarHBondContact CA-OG1 3.41Å; N4-T7 PolarHBondContact O-OG1 3.46Å; N4-T7 VanDerWaalsContact O-OG1 3.12Å; T7-L9 VanDerWaalsContact C-N 3.32Å; T7-R10 VanDerWaalsContact O-O 3.04Å |
| 8 | N | 60.6 | Low | 54.4 | Low | 115 Ų | 115 | 96.1 Ų | 96.1 | 62% | 0.615 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -80.5 | -13.1 | 179.9 | -67.4 | 11.5 | 0 | 0 | 0 | 112.9 | N4 F5 Q32 | N4-N8 WeakPolarHBondContact O-CB 3.43Å; N4-N8 PolarHBondContact O-N 3.38Å; N4-N8 PolarHBondContact O-OD1 3.11Å; F5-N8 PolarHBondContact O-N 2.88Å; N8-Q32 PolarHBondContact O-NE2 3.03Å |
| 9 | L | 62.8 | Low | 54.4 | Low | 24 Ų | 24 | 95 Ų | 95 | 13% | 0.126 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -69 | -37.6 | 174.6 | -93.4 | 162.8 | 0 | 0 | 0 | 110.7 | F5 L6 T7 F24 E28 Q32 | F5-L9 HydrophobicContact CD1-CD1 3.75Å; F5-L9 HydrophobicContact CE1-CD1 3.52Å; F5-L9 HydrophobicContact CE1-CG 4.48Å; F5-L9 HydrophobicContact CZ-CD1 4.19Å; F5-L9 WeakPolarHBondContact O-CB 3.37Å; F5-L9 WeakPolarHBondContact O-CG 3.45Å; F5-L9 PolarHBondContact O-N 3.16Å; L6-L9 HydrophobicContact CD2-CD1 4.37Å; L6-L9 PolarHBondContact O-N 3.41Å; T7-L9 VanDerWaalsContact C-N 3.32Å; L9-F24 HydrophobicContact CB-CE1 3.89Å; L9-F24 HydrophobicContact CD1-CD1 4.13Å; L9-F24 HydrophobicContact CD1-CE1 3.9Å; L9-F24 HydrophobicContact CD1-CZ 4.2Å; L9-F24 HydrophobicContact CG-CE1 4.35Å; L9-E28 HydrophobicContact CD2-CG 3.77Å; L9-Q32 HydrophobicContact CD2-CB 3.78Å; L9-Q32 HydrophobicContact CD2-CG 4.2Å; L9-Q32 HydrophobicContact CG-CB 4.19Å; L9-Q32 HydrophobicContact CG-CG 4.05Å |
| 10 | R | 55.5 | Low | 54.3 | Low | 138 Ų | 138 | 98.1 Ų | 98.1 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -127.1 | 106 | -177.4 | -152.6 | 178.8 | -155.6 | -153.5 | 11.7 | 110.6 | T7 | T7-R10 VanDerWaalsContact O-O 3.04Š|
| 11 | G | 46.8 | Very low | 54.2 | Low | 66 Ų | 66 | 99.5 Ų | 99.5 | 68% | 0.68 | 52% | 0.52 | S | S | * | . | trans | -52.9 | 155.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 12 | E | 52 | Low | 55.1 | Low | 154 Ų | 154 | 93.6 Ų | 93.6 | 72% | 0.72 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -41.7 | 149.6 | -174.7 | -65.1 | -73 | 162.1 | 0 | 0 | 115.1 | ||
| 13 | H | 51.2 | Low | 55.6 | Low | 170 Ų | 170 | 97.6 Ų | 97.6 | 79% | 0.787 | 51% | 0.511 | S | S | * | . | S | Bend | trans | 77.1 | 46.3 | 169.3 | -47.5 | -68.1 | 0 | 0 | 0 | 119.8 | ||
| 14 | K | 46.6 | Very low | 56.5 | Low | 150 Ų | 150 | 97.1 Ų | 97.1 | 65% | 0.652 | 51% | 0.505 | S | S | * | . | trans | -151.4 | 48.2 | 152.2 | -146 | 168.4 | -172.6 | 179.9 | 0 | 115.8 | I18 | K14-I18 HydrophobicContact CD-CD1 3.74Å; K14-I18 HydrophobicContact CG-CD1 3.97Å | ||
| 15 | I | 53.7 | Low | 57.6 | Low | 98 Ų | 98 | 95.2 Ų | 95.2 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | trans | -80.1 | -57.7 | -166.9 | -60.5 | 177.6 | 0 | 0 | 0 | 112.8 | N17 I18 M19 | I15-N17 PolarHBondContact O-N 3.01Å; I15-I18 PolarHBondContact O-N 2.84Å; I15-M19 HydrophobicContact CG2-CE 4.1Å; I15-M19 HydrophobicContact CG2-SD 3.89Å; I15-M19 WeakPolarHBondContact O-CG 3.35Å | ||
| 16 | D | 52.6 | Low | 58.4 | Low | 149 Ų | 149 | 96.2 Ų | 96.2 | 80% | 0.797 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 7.5 | -153.6 | -52.8 | -23.4 | 0 | 0 | 0 | 117.8 | ||
| 17 | N | 46.3 | Very low | 59.3 | Low | 162 Ų | 162 | 100.7 Ų | 100.7 | 87% | 0.866 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.1 | 15.8 | 178.8 | -123.8 | -42.1 | 0 | 0 | 0 | 114.6 | I15 | I15-N17 PolarHBondContact O-N 3.01Š|
| 18 | I | 48.3 | Very low | 60.4 | Low | 56 Ų | 56 | 99.7 Ų | 99.7 | 29% | 0.287 | 52% | 0.515 | S | S | . | . | trans | -140.6 | 52.1 | 175.7 | -40.9 | 178.3 | 0 | 0 | 0 | 109.5 | K14 I15 L22 | K14-I18 HydrophobicContact CD-CD1 3.74Å; K14-I18 HydrophobicContact CG-CD1 3.97Å; I15-I18 PolarHBondContact O-N 2.84Å; I18-L22 VanDerWaalsContact O-CD1 3.26Å; I18-L22 WeakPolarHBondContact O-CD1 3.27Å | ||
| 19 | M | 53.7 | Low | 61.7 | Low | 75 Ų | 75 | 94.2 Ų | 94.2 | 37% | 0.369 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -103.7 | -18.1 | -178.7 | -56.6 | -169.3 | 75.6 | 0 | 0 | 113.9 | I15 W62 | I15-M19 HydrophobicContact CG2-CE 4.1Å; I15-M19 HydrophobicContact CG2-SD 3.89Å; I15-M19 WeakPolarHBondContact O-CG 3.35Å; M19-W62 HydrophobicContact CE-CH2 3.46Å; M19-W62 VanDerWaalsContact CE-CH2 3.46Å; M19-W62 HydrophobicContact CE-CZ2 4.09Å; M19-W62 HydrophobicContact CE-CZ3 4.32Å |
| 20 | D | 53.8 | Low | 62.8 | Low | 157 Ų | 157 | 97.1 Ų | 97.1 | 84% | 0.84 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -93.6 | -13.3 | -175.4 | -57.3 | -41.9 | 0 | 0 | 0 | 113.5 | ||
| 21 | N | 51.6 | Low | 64.2 | Low | 127 Ų | 127 | 96.9 Ų | 96.9 | 68% | 0.679 | 50% | 0.503 | S | S | * | . | trans | -117.1 | 70.1 | 176.8 | -66.1 | -32.9 | 0 | 0 | 0 | 110.1 | ||||
| 22 | L | 64.4 | Low | 66.1 | Low | 30 Ų | 30 | 94.6 Ų | 94.6 | 16% | 0.157 | 48% | 0.475 | C | S | . | . | trans | -100.6 | 59.4 | 179.1 | -107.5 | 63.4 | 0 | 0 | 0 | 111.3 | I18 F24 I57 | I18-L22 VanDerWaalsContact O-CD1 3.26Å; I18-L22 WeakPolarHBondContact O-CD1 3.27Å; L22-F24 HydrophobicContact CB-CE2 4.01Å; L22-F24 HydrophobicContact CB-CZ 4.46Å; L22-F24 HydrophobicContact CD2-CE2 3.89Å; L22-F24 HydrophobicContact CD2-CZ 3.88Å; L22-F24 HydrophobicContact CG-CE2 3.97Å; L22-F24 HydrophobicContact CG-CZ 3.94Å; L22-F24 WeakPolarHBondContact O-CD2 3.13Å; L22-F24 PolarHBondContact O-N 3.32Å; L22-I57 HydrophobicContact CB-CD1 4.34Å; L22-I57 HydrophobicContact CB-CG2 4.1Å | ||
| 23 | D | 65.8 | Low | 67.8 | Low | 144 Ų | 144 | 88.2 Ų | 88.2 | 77% | 0.77 | 45% | 0.445 | S | S | * | . | trans | -76.8 | 85 | 176.7 | -69 | -30.4 | 0 | 0 | 0 | 111.2 | ||||
| 24 | F | 74.3 | Confident | 69.5 | Low | 11 Ų | 11 | 81.7 Ų | 81.7 | 5% | 0.048 | 42% | 0.421 | C | S | . | . | trans | -74.4 | 139.8 | 176.4 | -66.1 | -70 | 0 | 0 | 0 | 112.1 | L6 L9 L22 I29 K50 I57 | L6-F24 HydrophobicContact CD2-CE2 3.79Å; L6-F24 HydrophobicContact CD2-CZ 4.02Å; L9-F24 HydrophobicContact CB-CE1 3.89Å; L9-F24 HydrophobicContact CD1-CD1 4.13Å; L9-F24 HydrophobicContact CD1-CE1 3.9Å; L9-F24 HydrophobicContact CD1-CZ 4.2Å; L9-F24 HydrophobicContact CG-CE1 4.35Å; L22-F24 HydrophobicContact CB-CE2 4.01Å; L22-F24 HydrophobicContact CB-CZ 4.46Å; L22-F24 HydrophobicContact CD2-CE2 3.89Å; L22-F24 HydrophobicContact CD2-CZ 3.88Å; L22-F24 HydrophobicContact CG-CE2 3.97Å; L22-F24 HydrophobicContact CG-CZ 3.94Å; L22-F24 WeakPolarHBondContact O-CD2 3.13Å; L22-F24 PolarHBondContact O-N 3.32Å; F24-I29 HydrophobicContact CB-CD1 3.93Å; F24-I29 HydrophobicContact CB-CG1 3.95Å; F24-K50 WeakPolarHBondContact O-CE 3.48Å; F24-K50 PolarHBondContact O-NZ 2.97Å; F24-I57 HydrophobicContact CD2-CD1 3.92Å; F24-I57 HydrophobicContact CE2-CD1 3.69Å | ||
| 25 | S | 80.4 | Confident | 71.4 | Confident | 59 Ų | 59 | 80.1 Ų | 80.1 | 41% | 0.413 | 42% | 0.418 | S | S | . | . | trans | -84 | 156.1 | 177.6 | -150.8 | 0 | 0 | 0 | 0 | 113.1 | E27 E28 I29 | S25-E27 WeakPolarHBondContact CB-OE2 3.21Å; S25-E27 PolarHBondContact O-N 3.07Å; S25-E27 PolarHBondContact OG-OE2 2.97Å; S25-E28 PolarHBondContact N-OE2 3.39Å; S25-E28 PolarHBondContact O-N 3.44Å; S25-I29 VanDerWaalsContact O-CG1 3.31Å; S25-I29 WeakPolarHBondContact O-CG1 3.3Å; S25-I29 PolarHBondContact O-N 3.06Å; S25-I29 VanDerWaalsContact O-N 3.1Å | ||
| 26 | E | 82.3 | Confident | 72.9 | Confident | 34 Ų | 34 | 79.3 Ų | 79.3 | 16% | 0.159 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -55.3 | -42.2 | 177 | -176.8 | 178.7 | 141.1 | 0 | 0 | 110.6 | Q30 K43 L46 | E26-Q30 WeakPolarHBondContact O-CB 3.41Å; E26-Q30 PolarHBondContact O-N 2.98Å; E26-K43 IonicContact OE1-NZ 2.83Å; E26-K43 PolarHBondContact OE1-NZ 3.28Å; E26-L46 HydrophobicContact CG-CD2 3.38Å; E26-L46 HydrophobicContact CG-CG 3.82Å |
| 27 | E | 82 | Confident | 74.4 | Confident | 110 Ų | 110 | 74.6 Ų | 74.6 | 51% | 0.514 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69 | -37.1 | -178.9 | -57.6 | 73 | -159.9 | 0 | 0 | 112.8 | S25 Q30 Q31 | S25-E27 WeakPolarHBondContact CB-OE2 3.21Å; S25-E27 PolarHBondContact O-N 3.07Å; S25-E27 PolarHBondContact OG-OE2 2.97Å; E27-Q30 PolarHBondContact O-N 3.38Å; E27-Q31 WeakPolarHBondContact O-CB 3.49Å; E27-Q31 PolarHBondContact O-N 3.21Å |
| 28 | E | 84.6 | Confident | 76.2 | Confident | 65 Ų | 65 | 73.2 Ų | 73.2 | 30% | 0.304 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.1 | -45 | -179.4 | -165.7 | -167.6 | 168.7 | 0 | 0 | 110.3 | L9 S25 Q30 Q31 Q32 | L9-E28 HydrophobicContact CD2-CG 3.77Å; S25-E28 PolarHBondContact N-OE2 3.39Å; S25-E28 PolarHBondContact O-N 3.44Å; E28-Q30 VanDerWaalsContact C-N 3.34Å; E28-Q31 PolarHBondContact O-N 2.82Å; E28-Q32 PolarHBondContact O-N 2.79Å |
| 29 | I | 86.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.3 | -45 | 171.5 | -62.9 | 168.6 | 0 | 0 | 0 | 109.8 | F5 F24 S25 Q31 Q32 L33 L46 F49 K50 L53 | F5-I29 HydrophobicContact CZ-CG2 4.39Å; F24-I29 HydrophobicContact CB-CD1 3.93Å; F24-I29 HydrophobicContact CB-CG1 3.95Å; S25-I29 VanDerWaalsContact O-CG1 3.31Å; S25-I29 WeakPolarHBondContact O-CG1 3.3Å; S25-I29 PolarHBondContact O-N 3.06Å; S25-I29 VanDerWaalsContact O-N 3.1Å; I29-Q31 PolarHBondContact O-N 2.81Å; I29-Q32 PolarHBondContact O-N 2.99Å; I29-L33 HydrophobicContact CG2-CD1 3.83Å; I29-L33 HydrophobicContact CG2-CG 4.49Å; I29-L33 WeakPolarHBondContact O-CB 3.36Å; I29-L33 VanDerWaalsContact O-CG 3.26Å; I29-L33 WeakPolarHBondContact O-CG 3.24Å; I29-L33 PolarHBondContact O-N 3.04Å; I29-L46 HydrophobicContact CB-CD1 4.3Å; I29-L46 HydrophobicContact CG2-CD1 3.68Å; I29-F49 HydrophobicContact CG2-CD1 3.62Å; I29-F49 HydrophobicContact CG2-CE1 3.75Å; I29-K50 HydrophobicContact CD1-CB 3.86Å; I29-K50 HydrophobicContact CD1-CD 4.18Å; I29-K50 HydrophobicContact CD1-CG 4.03Å; I29-L53 HydrophobicContact CD1-CD1 4.31Å; I29-L53 HydrophobicContact CG1-CD1 4.48Å |
| 30 | Q | 86.2 | Confident | 79.2 | Confident | 84 Ų | 84 | 80.9 Ų | 80.9 | 39% | 0.393 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 176.7 | -168 | 179.8 | -21 | 0 | 0 | 112.3 | E26 E27 E28 L33 A34 L46 | E26-Q30 WeakPolarHBondContact O-CB 3.41Å; E26-Q30 PolarHBondContact O-N 2.98Å; E27-Q30 PolarHBondContact O-N 3.38Å; E28-Q30 VanDerWaalsContact C-N 3.34Å; Q30-L33 PolarHBondContact O-N 3.43Å; Q30-A34 VanDerWaalsContact O-CB 3.31Å; Q30-A34 WeakPolarHBondContact O-CB 3.32Å; Q30-A34 PolarHBondContact O-N 3.28Å; Q30-L46 HydrophobicContact CB-CD1 4.41Å; Q30-L46 HydrophobicContact CB-CD2 3.84Å; Q30-L46 HydrophobicContact CG-CD2 4.18Å |
| 31 | Q | 85.3 | Confident | 80.6 | Confident | 134 Ų | 134 | 75.5 Ų | 75.5 | 63% | 0.626 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.6 | -45.9 | 179.2 | -177.6 | 174.3 | -3.3 | 0 | 0 | 111 | E27 E28 I29 A34 I35 | E27-Q31 WeakPolarHBondContact O-CB 3.49Å; E27-Q31 PolarHBondContact O-N 3.21Å; E28-Q31 PolarHBondContact O-N 2.82Å; I29-Q31 PolarHBondContact O-N 2.81Å; Q31-A34 PolarHBondContact O-N 3.42Å; Q31-I35 HydrophobicContact CG-CD1 4.35Å; Q31-I35 WeakPolarHBondContact O-CG1 3.43Å; Q31-I35 PolarHBondContact O-N 2.92Å |
| 32 | Q | 86.5 | Confident | 82.4 | Confident | 18 Ų | 18 | 72.8 Ų | 72.8 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.1 | -37.7 | 177.7 | -168.6 | 74.7 | -70.6 | 0 | 0 | 112.3 | F5 N8 L9 E28 I29 A34 I35 L36 | F5-Q32 HydrophobicContact CD2-CB 4.21Å; F5-Q32 HydrophobicContact CD2-CG 3.33Å; F5-Q32 HydrophobicContact CE2-CB 3.58Å; F5-Q32 HydrophobicContact CE2-CG 3.22Å; F5-Q32 HydrophobicContact CG-CG 4.13Å; F5-Q32 HydrophobicContact CZ-CB 3.97Å; F5-Q32 HydrophobicContact CZ-CG 3.94Å; F5-Q32 PolarHBondContact O-NE2 2.95Å; N8-Q32 PolarHBondContact O-NE2 3.03Å; L9-Q32 HydrophobicContact CD2-CB 3.78Å; L9-Q32 HydrophobicContact CD2-CG 4.2Å; L9-Q32 HydrophobicContact CG-CB 4.19Å; L9-Q32 HydrophobicContact CG-CG 4.05Å; E28-Q32 PolarHBondContact O-N 2.79Å; I29-Q32 PolarHBondContact O-N 2.99Å; Q32-A34 VanDerWaalsContact C-N 3.35Å; Q32-I35 WeakPolarHBondContact O-CB 3.2Å; Q32-I35 PolarHBondContact O-N 2.78Å; Q32-L36 PolarHBondContact O-N 3.19Å |
| 33 | L | 88.1 | Confident | 83.4 | Confident | 19 Ų | 19 | 77.9 Ų | 77.9 | 10% | 0.099 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67 | -35.7 | 174 | -70.5 | 171.7 | 0 | 0 | 0 | 112 | F5 I29 Q30 L36 G37 Y38 I41 L46 F49 | F5-L33 HydrophobicContact CE2-CD2 3.66Å; F5-L33 HydrophobicContact CE2-CG 3.85Å; F5-L33 HydrophobicContact CZ-CD2 4.04Å; F5-L33 HydrophobicContact CZ-CG 3.98Å; I29-L33 HydrophobicContact CG2-CD1 3.83Å; I29-L33 HydrophobicContact CG2-CG 4.49Å; I29-L33 WeakPolarHBondContact O-CB 3.36Å; I29-L33 VanDerWaalsContact O-CG 3.26Å; I29-L33 WeakPolarHBondContact O-CG 3.24Å; I29-L33 PolarHBondContact O-N 3.04Å; Q30-L33 PolarHBondContact O-N 3.43Å; L33-L36 CarbonylContact O-C 3.41Å; L33-L36 WeakPolarHBondContact O-CA 3.27Å; L33-L36 PolarHBondContact O-N 2.95Å; L33-G37 PolarHBondContact O-N 3.39Å; L33-G37 VanDerWaalsContact O-N 3.14Å; L33-Y38 HydrophobicContact CD2-CD2 4.49Å; L33-Y38 WeakPolarHBondContact O-CA 3.47Å; L33-Y38 WeakPolarHBondContact O-CB 3.49Å; L33-Y38 PolarHBondContact O-N 3.05Å; L33-I41 HydrophobicContact CB-CD1 3.69Å; L33-I41 HydrophobicContact CD1-CD1 3.47Å; L33-I41 VanDerWaalsContact CD1-CD1 3.47Å; L33-I41 HydrophobicContact CG-CD1 4.13Å; L33-L46 HydrophobicContact CD1-CD1 3.95Å; L33-F49 HydrophobicContact CD1-CD1 3.8Å; L33-F49 HydrophobicContact CD1-CE1 3.77Å; L33-F49 HydrophobicContact CD2-CE1 4.16Å; L33-F49 HydrophobicContact CD2-CZ 4.45Å; L33-F49 HydrophobicContact CG-CE1 4.31Å |
| 34 | A | 86.7 | Confident | 84.4 | Confident | 33 Ų | 33 | 76 Ų | 76 | 27% | 0.273 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.6 | -33.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q30 Q31 Q32 G37 K39 | Q30-A34 VanDerWaalsContact O-CB 3.31Å; Q30-A34 WeakPolarHBondContact O-CB 3.32Å; Q30-A34 PolarHBondContact O-N 3.28Å; Q31-A34 PolarHBondContact O-N 3.42Å; Q32-A34 VanDerWaalsContact C-N 3.35Å; A34-G37 WeakPolarHBondContact O-CA 2.99Å; A34-G37 PolarHBondContact O-N 2.88Å; A34-G37 VanDerWaalsContact O-N 3.07Å; A34-K39 HydrophobicContact CB-CG 4.18Å |
| 35 | I | 86.4 | Confident | 85 | Confident | 118 Ų | 118 | 82 Ų | 82 | 61% | 0.605 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.5 | -39.5 | 169.8 | -71.1 | 165 | 0 | 0 | 0 | 110.7 | Q31 Q32 G37 | Q31-I35 HydrophobicContact CG-CD1 4.35Å; Q31-I35 WeakPolarHBondContact O-CG1 3.43Å; Q31-I35 PolarHBondContact O-N 2.92Å; Q32-I35 WeakPolarHBondContact O-CB 3.2Å; Q32-I35 PolarHBondContact O-N 2.78Å; I35-G37 PolarHBondContact O-N 2.9Å |
| 36 | L | 84.7 | Confident | 85.4 | Confident | 81 Ų | 81 | 79.3 Ų | 79.3 | 42% | 0.424 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 2.1 | 170.1 | -66.8 | -176 | 0 | 0 | 0 | 114.2 | F5 Q32 L33 Y38 | F5-L36 HydrophobicContact CD2-CD1 3.68Å; F5-L36 HydrophobicContact CE2-CD1 4.21Å; Q32-L36 PolarHBondContact O-N 3.19Å; L33-L36 CarbonylContact O-C 3.41Å; L33-L36 WeakPolarHBondContact O-CA 3.27Å; L33-L36 PolarHBondContact O-N 2.95Å; L36-Y38 HydrophobicContact CB-CD2 3.95Å; L36-Y38 HydrophobicContact CB-CE2 4.19Å |
| 37 | G | 85.8 | Confident | 85.6 | Confident | 50 Ų | 50 | 81.5 Ų | 81.5 | 52% | 0.515 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | -8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | L33 A34 I35 K39 | L33-G37 PolarHBondContact O-N 3.39Å; L33-G37 VanDerWaalsContact O-N 3.14Å; A34-G37 WeakPolarHBondContact O-CA 2.99Å; A34-G37 PolarHBondContact O-N 2.88Å; A34-G37 VanDerWaalsContact O-N 3.07Å; I35-G37 PolarHBondContact O-N 2.9Å; G37-K39 VanDerWaalsContact C-N 3.33Å; G37-K39 PolarHBondContact O-N 2.95Å |
| 38 | Y | 83.4 | Confident | 86 | Confident | 133 Ų | 133 | 79.9 Ų | 79.9 | 52% | 0.522 | 40% | 0.401 | S | S | . | . | trans | -82.5 | 72.2 | 180 | -58.7 | -83.5 | 0 | 0 | 0 | 111.6 | L33 L36 | L33-Y38 HydrophobicContact CD2-CD2 4.49Å; L33-Y38 WeakPolarHBondContact O-CA 3.47Å; L33-Y38 WeakPolarHBondContact O-CB 3.49Å; L33-Y38 PolarHBondContact O-N 3.05Å; L36-Y38 HydrophobicContact CB-CD2 3.95Å; L36-Y38 HydrophobicContact CB-CE2 4.19Å | ||
| 39 | K | 81.8 | Confident | 86.2 | Confident | 154 Ų | 154 | 80 Ų | 80 | 67% | 0.67 | 40% | 0.401 | S | S | * | . | trans | -81.9 | -13.7 | -172 | -60.7 | -178.6 | -176.5 | -177.1 | 0 | 115 | A34 G37 | A34-K39 HydrophobicContact CB-CG 4.18Å; G37-K39 VanDerWaalsContact C-N 3.33Å; G37-K39 PolarHBondContact O-N 2.95Å | ||
| 40 | T | 82.6 | Confident | 86.3 | Confident | 137 Ų | 137 | 82.6 Ų | 82.6 | 84% | 0.84 | 41% | 0.412 | S | S | * | . | trans | -126.2 | 66 | -173.6 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 41 | I | 83.5 | Confident | 86.4 | Confident | 45 Ų | 45 | 84.8 Ų | 84.8 | 23% | 0.231 | 42% | 0.422 | C | S | . | . | trans | -96.8 | 125.1 | 176.4 | -60.7 | 167.8 | 0 | 0 | 0 | 109 | L33 R45 L46 | L33-I41 HydrophobicContact CB-CD1 3.69Å; L33-I41 HydrophobicContact CD1-CD1 3.47Å; L33-I41 VanDerWaalsContact CD1-CD1 3.47Å; L33-I41 HydrophobicContact CG-CD1 4.13Å; I41-R45 HydrophobicContact CG2-CB 3.95Å; I41-L46 HydrophobicContact CG2-CB 4.02Å | ||
| 42 | P | 90.1 | Very high | 86.5 | Confident | 70 Ų | 70 | 83.7 Ų | 83.7 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | trans | -65 | 138.5 | 171.5 | -21.1 | 33.5 | 0 | 0 | 0 | 111.4 | H44 R45 L46 | P42-H44 PolarHBondContact O-N 2.9Å; P42-R45 WeakPolarHBondContact O-CB 3.34Å; P42-R45 PolarHBondContact O-N 2.92Å; P42-L46 PolarHBondContact O-N 3.34Å | ||
| 43 | K | 86.1 | Confident | 86.5 | Confident | 136 Ų | 136 | 83.1 Ų | 83.1 | 59% | 0.591 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -50.1 | -38.6 | -176.5 | -70.4 | -168.7 | 161.9 | -103.8 | 0 | 114.5 | E26 R45 L46 L47 | E26-K43 IonicContact OE1-NZ 2.83Å; E26-K43 PolarHBondContact OE1-NZ 3.28Å; K43-R45 VanDerWaalsContact C-N 3.32Å; K43-R45 PolarHBondContact O-N 3.27Å; K43-L46 WeakPolarHBondContact O-CB 3.32Å; K43-L46 PolarHBondContact O-N 3.02Å; K43-L46 VanDerWaalsContact O-N 3.12Å; K43-L47 WeakPolarHBondContact O-CG 3.43Å; K43-L47 PolarHBondContact O-N 3.1Å |
| 44 | H | 86.7 | Confident | 86.3 | Confident | 106 Ų | 106 | 83.8 Ų | 83.8 | 49% | 0.491 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.9 | -39.8 | 176.9 | 69.6 | -95.2 | 0 | 0 | 0 | 112.8 | P42 L46 L47 E48 | P42-H44 PolarHBondContact O-N 2.9Å; H44-L46 VanDerWaalsContact C-N 3.34Å; H44-L47 PolarHBondContact O-N 3.15Å; H44-E48 IonicContact CD2-OE1 3.55Å; H44-E48 VanDerWaalsContact O-CG 3.29Å; H44-E48 WeakPolarHBondContact O-CG 3.44Å; H44-E48 PolarHBondContact O-N 3.29Å |
| 45 | R | 86.8 | Confident | 86.2 | Confident | 137 Ų | 137 | 86.9 Ų | 86.9 | 52% | 0.517 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70.7 | -30.2 | 175.4 | -64.7 | -50.4 | -170.4 | 159.4 | 2 | 113.1 | I41 P42 K43 E48 F49 | I41-R45 HydrophobicContact CG2-CB 3.95Å; P42-R45 WeakPolarHBondContact O-CB 3.34Å; P42-R45 PolarHBondContact O-N 2.92Å; K43-R45 VanDerWaalsContact C-N 3.32Å; K43-R45 PolarHBondContact O-N 3.27Å; R45-E48 WeakPolarHBondContact CD-OE2 3.44Å; R45-E48 IonicContact CZ-OE2 2.67Å; R45-E48 IonicContact NE-OE2 3.74Å; R45-E48 IonicContact NH1-OE1 3.92Å; R45-E48 IonicContact NH1-OE2 3.6Å; R45-E48 PolarHBondContact NH1-OE2 3.04Å; R45-F49 VanDerWaalsContact O-CB 3.24Å; R45-F49 WeakPolarHBondContact O-CB 3.38Å; R45-F49 PolarHBondContact O-N 3.12Å |
| 46 | L | 88.1 | Confident | 86 | Confident | 2 Ų | 2 | 83.2 Ų | 83.2 | 1% | 0.01 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -72.5 | -37.3 | 176 | -170.3 | 61 | 0 | 0 | 0 | 111.2 | E26 I29 Q30 L33 I41 P42 K43 H44 K50 | E26-L46 HydrophobicContact CG-CD2 3.38Å; E26-L46 HydrophobicContact CG-CG 3.82Å; I29-L46 HydrophobicContact CB-CD1 4.3Å; I29-L46 HydrophobicContact CG2-CD1 3.68Å; Q30-L46 HydrophobicContact CB-CD1 4.41Å; Q30-L46 HydrophobicContact CB-CD2 3.84Å; Q30-L46 HydrophobicContact CG-CD2 4.18Å; L33-L46 HydrophobicContact CD1-CD1 3.95Å; I41-L46 HydrophobicContact CG2-CB 4.02Å; P42-L46 PolarHBondContact O-N 3.34Å; K43-L46 WeakPolarHBondContact O-CB 3.32Å; K43-L46 PolarHBondContact O-N 3.02Å; K43-L46 VanDerWaalsContact O-N 3.12Å; H44-L46 VanDerWaalsContact C-N 3.34Å; L46-K50 WeakPolarHBondContact O-CB 3.43Å; L46-K50 PolarHBondContact O-N 3.45Å |
| 47 | L | 86.9 | Confident | 85.9 | Confident | 79 Ų | 79 | 80.4 Ų | 80.4 | 41% | 0.414 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69 | -43.6 | 172.6 | -70.1 | 168.9 | 0 | 0 | 0 | 112.4 | K43 H44 K50 Q51 | K43-L47 WeakPolarHBondContact O-CG 3.43Å; K43-L47 PolarHBondContact O-N 3.1Å; H44-L47 PolarHBondContact O-N 3.15Å; L47-K50 PolarHBondContact O-N 3.35Å; L47-Q51 WeakPolarHBondContact O-CG 3.39Å; L47-Q51 PolarHBondContact O-N 3.19Å |
| 48 | E | 89.4 | Confident | 85.7 | Confident | 77 Ų | 77 | 85.7 Ų | 85.7 | 36% | 0.36 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -55.1 | -51.7 | 169.9 | -73.7 | 164.9 | -155.2 | 0 | 0 | 110.8 | H44 R45 K50 Q51 D52 | H44-E48 IonicContact CD2-OE1 3.55Å; H44-E48 VanDerWaalsContact O-CG 3.29Å; H44-E48 WeakPolarHBondContact O-CG 3.44Å; H44-E48 PolarHBondContact O-N 3.29Å; R45-E48 WeakPolarHBondContact CD-OE2 3.44Å; R45-E48 IonicContact CZ-OE2 2.67Å; R45-E48 IonicContact NE-OE2 3.74Å; R45-E48 IonicContact NH1-OE1 3.92Å; R45-E48 IonicContact NH1-OE2 3.6Å; R45-E48 PolarHBondContact NH1-OE2 3.04Å; E48-K50 VanDerWaalsContact C-N 3.32Å; E48-K50 PolarHBondContact O-N 3.13Å; E48-Q51 PolarHBondContact O-N 3.47Å; E48-Q51 VanDerWaalsContact O-N 3.09Å; E48-D52 PolarHBondContact O-N 3.3Å |
| 49 | F | 89.4 | Confident | 85.2 | Confident | 67 Ų | 67 | 85 Ų | 85 | 29% | 0.294 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.5 | -33.3 | -179.7 | -177.4 | -111.4 | 0 | 0 | 0 | 113.1 | F5 I29 L33 R45 L53 | F5-F49 HydrophobicContact CE1-CE1 4.07Å; F5-F49 HydrophobicContact CE1-CZ 4.25Å; F5-F49 AromaticContact CZ-CE1 3.93Å; F5-F49 HydrophobicContact CZ-CE1 3.93Å; F5-F49 HydrophobicContact CZ-CZ 4.34Å; I29-F49 HydrophobicContact CG2-CD1 3.62Å; I29-F49 HydrophobicContact CG2-CE1 3.75Å; L33-F49 HydrophobicContact CD1-CD1 3.8Å; L33-F49 HydrophobicContact CD1-CE1 3.77Å; L33-F49 HydrophobicContact CD2-CE1 4.16Å; L33-F49 HydrophobicContact CD2-CZ 4.45Å; L33-F49 HydrophobicContact CG-CE1 4.31Å; R45-F49 VanDerWaalsContact O-CB 3.24Å; R45-F49 WeakPolarHBondContact O-CB 3.38Å; R45-F49 PolarHBondContact O-N 3.12Å; F49-L53 HydrophobicContact CD1-CD1 3.98Å; F49-L53 HydrophobicContact CD1-CG 4.49Å; F49-L53 HydrophobicContact CE1-CD1 3.52Å; F49-L53 HydrophobicContact CE1-CG 4.15Å; F49-L53 HydrophobicContact CE2-CG 4.38Å; F49-L53 HydrophobicContact CZ-CD1 3.87Å; F49-L53 HydrophobicContact CZ-CD2 4.24Å; F49-L53 HydrophobicContact CZ-CG 4.09Å; F49-L53 WeakPolarHBondContact O-CB 3.46Å; F49-L53 WeakPolarHBondContact O-CG 3.29Å; F49-L53 PolarHBondContact O-N 3.22Å |
| 50 | K | 88.5 | Confident | 84.7 | Confident | 55 Ų | 55 | 78.1 Ų | 78.1 | 24% | 0.239 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 169.6 | 172.5 | 165 | 175.2 | 162 | 0 | 111.1 | F24 I29 L46 L47 E48 D52 L53 D54 | F24-K50 WeakPolarHBondContact O-CE 3.48Å; F24-K50 PolarHBondContact O-NZ 2.97Å; I29-K50 HydrophobicContact CD1-CB 3.86Å; I29-K50 HydrophobicContact CD1-CD 4.18Å; I29-K50 HydrophobicContact CD1-CG 4.03Å; L46-K50 WeakPolarHBondContact O-CB 3.43Å; L46-K50 PolarHBondContact O-N 3.45Å; L47-K50 PolarHBondContact O-N 3.35Å; E48-K50 VanDerWaalsContact C-N 3.32Å; E48-K50 PolarHBondContact O-N 3.13Å; K50-D52 VanDerWaalsContact C-N 3.31Å; K50-D52 PolarHBondContact O-N 2.92Å; K50-L53 PolarHBondContact O-N 2.97Å; K50-L53 VanDerWaalsContact O-N 3.12Å; K50-D54 WeakPolarHBondContact CE-OD2 3.4Å; K50-D54 WeakPolarHBondContact CG-OD2 3.27Å; K50-D54 WeakPolarHBondContact O-CB 3.25Å; K50-D54 PolarHBondContact O-N 3.36Å |
| 51 | Q | 88 | Confident | 83.9 | Confident | 129 Ų | 129 | 76.6 Ų | 76.6 | 60% | 0.603 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.9 | -41.4 | 179.4 | -70.9 | 173.4 | 7.9 | 0 | 0 | 112 | L47 E48 D54 E55 | L47-Q51 WeakPolarHBondContact O-CG 3.39Å; L47-Q51 PolarHBondContact O-N 3.19Å; E48-Q51 PolarHBondContact O-N 3.47Å; E48-Q51 VanDerWaalsContact O-N 3.09Å; Q51-D54 PolarHBondContact O-N 3.24Å; Q51-E55 WeakPolarHBondContact O-CB 3.43Å; Q51-E55 PolarHBondContact O-N 2.96Å |
| 52 | D | 87.2 | Confident | 83.1 | Confident | 112 Ų | 112 | 76.9 Ų | 76.9 | 60% | 0.599 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.9 | -41.8 | 173.7 | -77.1 | -8.8 | 0 | 0 | 0 | 112.3 | E48 K50 L56 | E48-D52 PolarHBondContact O-N 3.3Å; K50-D52 VanDerWaalsContact C-N 3.31Å; K50-D52 PolarHBondContact O-N 2.92Å; D52-L56 VanDerWaalsContact O-CB 3.31Å; D52-L56 WeakPolarHBondContact O-CB 3.41Å; D52-L56 PolarHBondContact O-N 2.89Å |
| 53 | L | 86.3 | Confident | 81.7 | Confident | 6 Ų | 6 | 80.3 Ų | 80.3 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.8 | -49 | 176.1 | -76.7 | 177.9 | 0 | 0 | 0 | 111.7 | V2 F5 I29 F49 K50 E55 L56 I57 | V2-L53 HydrophobicContact CG1-CD2 4.49Å; F5-L53 HydrophobicContact CE1-CD1 4.01Å; I29-L53 HydrophobicContact CD1-CD1 4.31Å; I29-L53 HydrophobicContact CG1-CD1 4.48Å; F49-L53 HydrophobicContact CD1-CD1 3.98Å; F49-L53 HydrophobicContact CD1-CG 4.49Å; F49-L53 HydrophobicContact CE1-CD1 3.52Å; F49-L53 HydrophobicContact CE1-CG 4.15Å; F49-L53 HydrophobicContact CE2-CG 4.38Å; F49-L53 HydrophobicContact CZ-CD1 3.87Å; F49-L53 HydrophobicContact CZ-CD2 4.24Å; F49-L53 HydrophobicContact CZ-CG 4.09Å; F49-L53 WeakPolarHBondContact O-CB 3.46Å; F49-L53 WeakPolarHBondContact O-CG 3.29Å; F49-L53 PolarHBondContact O-N 3.22Å; K50-L53 PolarHBondContact O-N 2.97Å; K50-L53 VanDerWaalsContact O-N 3.12Å; L53-E55 PolarHBondContact O-N 3.27Å; L53-L56 WeakPolarHBondContact O-CB 3.48Å; L53-L56 PolarHBondContact O-N 2.97Å; L53-L56 VanDerWaalsContact O-N 3.14Å; L53-I57 WeakPolarHBondContact O-CB 3.24Å; L53-I57 WeakPolarHBondContact O-CD1 3.47Å; L53-I57 WeakPolarHBondContact O-CG1 3.44Å; L53-I57 PolarHBondContact O-N 3.2Å |
| 54 | D | 83.3 | Confident | 80.5 | Confident | 33 Ų | 33 | 79.1 Ų | 79.1 | 18% | 0.176 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.1 | -40.5 | 177.4 | -63.3 | -16.1 | 0 | 0 | 0 | 109.9 | K50 Q51 I57 R58 | K50-D54 WeakPolarHBondContact CE-OD2 3.4Å; K50-D54 WeakPolarHBondContact CG-OD2 3.27Å; K50-D54 WeakPolarHBondContact O-CB 3.25Å; K50-D54 PolarHBondContact O-N 3.36Å; Q51-D54 PolarHBondContact O-N 3.24Å; D54-I57 PolarHBondContact O-N 3Å; D54-R58 WeakPolarHBondContact O-CB 3.39Å; D54-R58 VanDerWaalsContact O-CG 3.23Å; D54-R58 WeakPolarHBondContact O-CG 3.39Å; D54-R58 PolarHBondContact O-N 3.33Å |
| 55 | E | 85.2 | Confident | 79.1 | Confident | 98 Ų | 98 | 78.9 Ų | 78.9 | 46% | 0.458 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.1 | -45.8 | 174.4 | -170.8 | 156.7 | 133.6 | 0 | 0 | 113.4 | Q51 L53 I57 R58 H59 | Q51-E55 WeakPolarHBondContact O-CB 3.43Å; Q51-E55 PolarHBondContact O-N 2.96Å; L53-E55 PolarHBondContact O-N 3.27Å; E55-I57 PolarHBondContact O-N 2.99Å; E55-R58 VanDerWaalsContact CB-NH2 3.34Å; E55-R58 PolarHBondContact O-N 3.29Å; E55-R58 IonicContact OE2-NH2 3.35Å; E55-R58 PolarHBondContact OE2-NH2 2.95Å; E55-H59 PolarHBondContact O-CD2 3.21Å; E55-H59 VanDerWaalsContact O-CD2 3.32Å; E55-H59 PolarHBondContact O-N 3.48Å |
| 56 | L | 83.5 | Confident | 77.2 | Confident | 40 Ų | 40 | 74.9 Ų | 74.9 | 21% | 0.209 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.6 | -38.4 | 176.9 | -168.2 | 79.4 | 0 | 0 | 0 | 111.5 | V2 D52 L53 G60 Q61 W62 L65 | V2-L56 HydrophobicContact CG1-CD2 3.98Å; D52-L56 VanDerWaalsContact O-CB 3.31Å; D52-L56 WeakPolarHBondContact O-CB 3.41Å; D52-L56 PolarHBondContact O-N 2.89Å; L53-L56 WeakPolarHBondContact O-CB 3.48Å; L53-L56 PolarHBondContact O-N 2.97Å; L53-L56 VanDerWaalsContact O-N 3.14Å; L56-G60 PolarHBondContact O-N 3.15Å; L56-Q61 HydrophobicContact CD1-CB 3.85Å; L56-Q61 HydrophobicContact CG-CB 4.49Å; L56-Q61 PolarHBondContact O-N 2.93Å; L56-Q61 VanDerWaalsContact O-N 3.07Å; L56-W62 HydrophobicContact CD2-CB 3.98Å; L56-W62 HydrophobicContact CG-CB 4.15Å; L56-L65 HydrophobicContact CD2-CD1 4.46Å |
| 57 | I | 81.8 | Confident | 75 | Confident | 23 Ų | 23 | 78 Ų | 78 | 12% | 0.118 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.8 | -55.2 | 176.9 | -67.2 | 159.7 | 0 | 0 | 0 | 110.3 | L22 F24 L53 D54 E55 H59 G60 | L22-I57 HydrophobicContact CB-CD1 4.34Å; L22-I57 HydrophobicContact CB-CG2 4.1Å; F24-I57 HydrophobicContact CD2-CD1 3.92Å; F24-I57 HydrophobicContact CE2-CD1 3.69Å; L53-I57 WeakPolarHBondContact O-CB 3.24Å; L53-I57 WeakPolarHBondContact O-CD1 3.47Å; L53-I57 WeakPolarHBondContact O-CG1 3.44Å; L53-I57 PolarHBondContact O-N 3.2Å; D54-I57 PolarHBondContact O-N 3Å; E55-I57 PolarHBondContact O-N 2.99Å; I57-H59 VanDerWaalsContact C-N 3.31Å; I57-H59 PolarHBondContact O-N 3.05Å; I57-G60 WeakPolarHBondContact O-CA 3.34Å; I57-G60 PolarHBondContact O-N 3.49Å |
| 58 | R | 80.6 | Confident | 73 | Confident | 160 Ų | 160 | 80.7 Ų | 80.7 | 60% | 0.604 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -52.5 | -44.5 | 178 | -76 | -175.4 | -50.5 | -108.4 | 6.5 | 112.9 | D54 E55 G60 | D54-R58 WeakPolarHBondContact O-CB 3.39Å; D54-R58 VanDerWaalsContact O-CG 3.23Å; D54-R58 WeakPolarHBondContact O-CG 3.39Å; D54-R58 PolarHBondContact O-N 3.33Å; E55-R58 VanDerWaalsContact CB-NH2 3.34Å; E55-R58 PolarHBondContact O-N 3.29Å; E55-R58 IonicContact OE2-NH2 3.35Å; E55-R58 PolarHBondContact OE2-NH2 2.95Å; R58-G60 PolarHBondContact O-N 3.15Å |
| 59 | H | 74.1 | Confident | 70.6 | Confident | 118 Ų | 118 | 87.5 Ų | 87.5 | 55% | 0.546 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -0.6 | 178.7 | -69.7 | -61.4 | 0 | 0 | 0 | 114 | E55 I57 Q61 | E55-H59 PolarHBondContact O-CD2 3.21Å; E55-H59 VanDerWaalsContact O-CD2 3.32Å; E55-H59 PolarHBondContact O-N 3.48Å; I57-H59 VanDerWaalsContact C-N 3.31Å; I57-H59 PolarHBondContact O-N 3.05Å; H59-Q61 HydrophobicContact CB-CG 3.84Å; H59-Q61 PolarHBondContact O-N 3.34Å; H59-Q61 VanDerWaalsContact O-N 3.16Å |
| 60 | G | 71.2 | Confident | 68.3 | Low | 11 Ų | 11 | 90 Ų | 90 | 11% | 0.113 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 32.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L56 I57 R58 K63 | L56-G60 PolarHBondContact O-N 3.15Å; I57-G60 WeakPolarHBondContact O-CA 3.34Å; I57-G60 PolarHBondContact O-N 3.49Å; R58-G60 PolarHBondContact O-N 3.15Å; G60-K63 WeakPolarHBondContact O-CE 3.44Å; G60-K63 WeakPolarHBondContact O-CG 3.24Å |
| 61 | Q | 65.7 | Low | 65.8 | Low | 104 Ų | 104 | 94.2 Ų | 94.2 | 49% | 0.486 | 47% | 0.466 | S | S | . | . | trans | -81.2 | -26.6 | -179 | -62.8 | -166.2 | 44.5 | 0 | 0 | 111.4 | L56 H59 K63 N64 | L56-Q61 HydrophobicContact CD1-CB 3.85Å; L56-Q61 HydrophobicContact CG-CB 4.49Å; L56-Q61 PolarHBondContact O-N 2.93Å; L56-Q61 VanDerWaalsContact O-N 3.07Å; H59-Q61 HydrophobicContact CB-CG 3.84Å; H59-Q61 PolarHBondContact O-N 3.34Å; H59-Q61 VanDerWaalsContact O-N 3.16Å; Q61-K63 VanDerWaalsContact C-N 3.33Å; Q61-K63 PolarHBondContact O-N 2.96Å; Q61-N64 VanDerWaalsContact O-CB 3.32Å; Q61-N64 WeakPolarHBondContact O-CB 3.48Å; Q61-N64 PolarHBondContact O-N 2.72Å | ||
| 62 | W | 66.8 | Low | 63.2 | Low | 52 Ų | 52 | 90.6 Ų | 90.6 | 20% | 0.197 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -35.5 | 178.4 | 63.5 | -79 | 0 | 0 | 0 | 114.5 | L6 M19 L56 N64 L65 A66 | L6-W62 HydrophobicContact CD1-CB 4.1Å; L6-W62 HydrophobicContact CD1-CE3 4.24Å; M19-W62 HydrophobicContact CE-CH2 3.46Å; M19-W62 VanDerWaalsContact CE-CH2 3.46Å; M19-W62 HydrophobicContact CE-CZ2 4.09Å; M19-W62 HydrophobicContact CE-CZ3 4.32Å; L56-W62 HydrophobicContact CD2-CB 3.98Å; L56-W62 HydrophobicContact CG-CB 4.15Å; W62-N64 PolarHBondContact O-N 3.25Å; W62-L65 CarbonylContact O-C 3.56Å; W62-L65 WeakPolarHBondContact O-CA 3.18Å; W62-L65 WeakPolarHBondContact O-CB 3.44Å; W62-L65 PolarHBondContact O-N 3.27Å; W62-A66 PolarHBondContact O-N 3.07Å |
| 63 | K | 61 | Low | 61.1 | Low | 141 Ų | 141 | 92.3 Ų | 92.3 | 61% | 0.613 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.7 | -28.2 | 173.7 | 48.2 | 176.9 | 173.7 | -165.8 | 0 | 113.5 | G60 Q61 L65 S67 | G60-K63 WeakPolarHBondContact O-CE 3.44Å; G60-K63 WeakPolarHBondContact O-CG 3.24Å; Q61-K63 VanDerWaalsContact C-N 3.33Å; Q61-K63 PolarHBondContact O-N 2.96Å; K63-L65 VanDerWaalsContact C-N 3.27Å; K63-L65 PolarHBondContact O-N 3.07Å; K63-S67 PolarHBondContact O-N 2.91Å |
| 64 | N | 60.1 | Low | 58.7 | Low | 112 Ų | 112 | 99.9 Ų | 99.9 | 60% | 0.599 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -75 | -17.6 | 173.5 | -54.4 | -45.2 | 0 | 0 | 0 | 112.8 | Q61 W62 | Q61-N64 VanDerWaalsContact O-CB 3.32Å; Q61-N64 WeakPolarHBondContact O-CB 3.48Å; Q61-N64 PolarHBondContact O-N 2.72Å; W62-N64 PolarHBondContact O-N 3.25Å |
| 65 | L | 57 | Low | 56.5 | Low | 100 Ų | 100 | 105.5 Ų | 105.5 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -96.1 | -21.7 | 175.7 | -55.6 | 177.4 | 0 | 0 | 0 | 112.5 | L56 W62 K63 | L56-L65 HydrophobicContact CD2-CD1 4.46Å; W62-L65 CarbonylContact O-C 3.56Å; W62-L65 WeakPolarHBondContact O-CA 3.18Å; W62-L65 WeakPolarHBondContact O-CB 3.44Å; W62-L65 PolarHBondContact O-N 3.27Å; K63-L65 VanDerWaalsContact C-N 3.27Å; K63-L65 PolarHBondContact O-N 3.07Å |
| 66 | A | 48 | Very low | 54.2 | Low | 53 Ų | 53 | 112.4 Ų | 112.4 | 44% | 0.438 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -83.3 | -28.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A3 W62 P68 | A3-A66 HydrophobicContact CB-CB 3.98Å; W62-A66 PolarHBondContact O-N 3.07Å; A66-P68 WeakPolarHBondContact O-CD 3.19Å |
| 67 | S | 41.4 | Very low | 51.7 | Low | 69 Ų | 69 | 121.7 Ų | 121.7 | 48% | 0.483 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -82.3 | 124.7 | 176.1 | -167.5 | 0 | 0 | 0 | 0 | 111.8 | K63 R69 | K63-S67 PolarHBondContact O-N 2.91Å; S67-R69 PolarHBondContact O-N 3.39Å |
| 68 | P | 44.3 | Very low | 49.2 | Very low | 135 Ų | 135 | 125.4 Ų | 125.4 | 88% | 0.877 | 62% | 0.622 | S | S | * | * | trans | -68.2 | 13.3 | 176.8 | -22.3 | 35.1 | 0 | 0 | 0 | 115.8 | A66 | A66-P68 WeakPolarHBondContact O-CD 3.19Š| ||
| 69 | R | 39.7 | Very low | 46.7 | Very low | 220 Ų | 220 | 121.9 Ų | 121.9 | 83% | 0.83 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -114.6 | 102.6 | -174.8 | -80.8 | -174.3 | 171.2 | 170.9 | -0.5 | 113.3 | S67 | S67-R69 PolarHBondContact O-N 3.39Š|
| 70 | H | 40.5 | Very low | 44.8 | Very low | 119 Ų | 119 | 121.2 Ų | 121.2 | 55% | 0.551 | 64% | 0.635 | S | S | * | * | trans | 60.9 | 88.8 | 141 | -172.3 | -67 | 0 | 0 | 0 | 116.3 | S72 F278 | H70-S72 PolarHBondContact O-N 3.33Å; H70-F278 AromaticContact CD2-CE1 3.94Å | ||
| 71 | I | 37 | Very low | 43.6 | Very low | 144 Ų | 144 | 129.9 Ų | 129.9 | 74% | 0.738 | 67% | 0.673 | S | S | * | * | trans | -57.6 | 99.4 | 167.1 | -62.6 | 170 | 0 | 0 | 0 | 109.8 | I73 | I71-I73 HydrophobicContact CG2-CD1 4.27Å; I71-I73 HydrophobicContact CG2-CG1 3.86Å | ||
| 72 | S | 33.3 | Very low | 41.9 | Very low | 52 Ų | 52 | 130.5 Ų | 130.5 | 36% | 0.364 | 69% | 0.688 | S | S | . | * | trans | -100.8 | 80.3 | 176.4 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | H70 H74 R280 | H70-S72 PolarHBondContact O-N 3.33Å; S72-H74 PolarHBondContact O-N 3.38Å; S72-R280 PolarHBondContact OG-NH1 3.16Å; S72-R280 PolarHBondContact OG-NH2 2.91Å | ||
| 73 | I | 42.3 | Very low | 40.8 | Very low | 149 Ų | 149 | 133.5 Ų | 133.5 | 76% | 0.764 | 72% | 0.718 | S | S | * | * | trans | -63.8 | 92.4 | 174.6 | -58.5 | 163.3 | 0 | 0 | 0 | 109.6 | I71 | I71-I73 HydrophobicContact CG2-CD1 4.27Å; I71-I73 HydrophobicContact CG2-CG1 3.86Å | ||
| 74 | H | 36.6 | Very low | 40.1 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | trans | -163.5 | 80.8 | 166.8 | -104.6 | 26.7 | 0 | 0 | 0 | 112 | S72 | S72-H74 PolarHBondContact O-N 3.38Š| ||
| 75 | T | 36.9 | Very low | 39.2 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 93% | 0.926 | 73% | 0.733 | S | S | * | * | trans | -140.5 | 137.1 | 151.8 | 15.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 76 | R | 36.8 | Very low | 38.2 | Very low | 242 Ų | 242 | 134.3 Ų | 134.3 | 91% | 0.913 | 75% | 0.748 | S | S | * | * | trans | -107.5 | 127.8 | -172.6 | -88.8 | -178.9 | 167.7 | -169.7 | -3.8 | 111.2 | ||||
| 77 | R | 30.5 | Very low | 37.6 | Very low | 236 Ų | 236 | 140.7 Ų | 140.7 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | 64.2 | 98.6 | 118.5 | -168.5 | -170 | 175.7 | 94 | -3.8 | 119.7 | |||||
| 78 | A | 29.9 | Very low | 38.1 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -156.6 | 142.9 | 137.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 79 | A | 28.1 | Very low | 37.8 | Very low | 86 Ų | 86 | 143.4 Ų | 143.4 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | cis | -146.7 | -179.9 | -5.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 80 | S | 34.2 | Very low | 37.5 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 23.2 | 114.1 | 156.5 | 52.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 81 | Q | 44.6 | Very low | 37.5 | Very low | 193 Ų | 193 | 143 Ų | 143 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | 49.7 | 111.2 | 133.3 | -58.7 | -178.8 | 2.7 | 0 | 0 | 120.4 | ||||
| 82 | S | 30 | Very low | 37.5 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | -167.2 | 150 | 107.8 | 43.1 | 0 | 0 | 0 | 0 | 111 | |||||
| 83 | S | 45.2 | Very low | 37.4 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -101.4 | 126.5 | 173.5 | 53.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 84 | L | 45 | Very low | 36.9 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -129.2 | 154 | 169.1 | -76.2 | 178.5 | 0 | 0 | 0 | 111.3 | ||||
| 85 | P | 42.5 | Very low | 36.7 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -99.1 | 166.5 | -149.3 | 37.9 | -37.3 | 0 | 0 | 0 | 114.4 | ||||
| 86 | A | 36.3 | Very low | 36.4 | Very low | 101 Ų | 101 | 144.2 Ų | 144.2 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -69.5 | 130.7 | 159 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 87 | Y | 34.1 | Very low | 36.2 | Very low | 187 Ų | 187 | 139.4 Ų | 139.4 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | -128.6 | 152.1 | 164 | -178.5 | -105.4 | 0 | 0 | 0 | 110.2 | K89 | Y87-K89 HydrophobicContact CE1-CD 4.31Š| ||
| 88 | T | 51.8 | Low | 36.3 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | trans | -127.7 | 134 | -166.4 | 55 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 89 | K | 39.1 | Very low | 36.3 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 65% | 0.648 | 76% | 0.762 | S | S | * | * | trans | -160.2 | 152.7 | 159.6 | -112.5 | 171.5 | 175 | -98.5 | 0 | 108.8 | Y87 | Y87-K89 HydrophobicContact CE1-CD 4.31Š| ||
| 90 | E | 33.7 | Very low | 36.7 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 67% | 0.673 | 77% | 0.768 | S | S | * | * | cis | -145.7 | 158.9 | 1.1 | -169 | 134.2 | -149.6 | 0 | 0 | 110.9 | ||||
| 91 | K | 39.4 | Very low | 36.7 | Very low | 188 Ų | 188 | 137 Ų | 137 | 82% | 0.817 | 77% | 0.765 | S | S | * | * | trans | -105.3 | 138.9 | 172 | -175.7 | -175.6 | 178.9 | -172.6 | 0 | 108.8 | S93 | K91-S93 PolarHBondContact O-N 3.04Š| ||
| 92 | V | 36.5 | Very low | 36.3 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -52 | 125.7 | 176.7 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 93 | S | 31.5 | Very low | 36.4 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | -106.2 | 127.3 | 168.8 | 47.3 | 0 | 0 | 0 | 0 | 109.8 | K91 | K91-S93 PolarHBondContact O-N 3.04Š| ||
| 94 | L | 31.5 | Very low | 35.7 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | trans | -101.4 | 137.2 | 169.8 | -140.4 | 74.1 | 0 | 0 | 0 | 108.3 | Y96 | L94-Y96 HydrophobicContact CD2-CE2 4.28Š| ||
| 95 | S | 32.3 | Very low | 35.3 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -85.2 | 130.1 | -171.5 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 96 | Y | 32.1 | Very low | 35 | Very low | 206 Ų | 206 | 140.9 Ų | 140.9 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | trans | -144 | 167.6 | 159.7 | -63.7 | -67 | 0 | 0 | 0 | 110.9 | L94 | L94-Y96 HydrophobicContact CD2-CE2 4.28Š| ||
| 97 | N | 32.6 | Very low | 35 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | -104.3 | 153.5 | -150.6 | -77 | -10.7 | 0 | 0 | 0 | 117.2 | ||||
| 98 | N | 32.6 | Very low | 34.9 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | 58.4 | 137.7 | 138.6 | -61.9 | 3.3 | 0 | 0 | 0 | 123 | ||||
| 99 | N | 30 | Very low | 33.9 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | trans | 61.6 | 143.5 | 152.5 | -57.6 | 7.8 | 0 | 0 | 0 | 117.2 | ||||
| 100 | S | 34.9 | Very low | 33.9 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | cis | -139.7 | 167 | 22.1 | -166 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 101 | G | 34.3 | Very low | 34 | Very low | 66 Ų | 66 | 143.7 Ų | 143.7 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | trans | -100.1 | 128.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 102 | D | 36.3 | Very low | 33.4 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | -168.4 | 152 | 154.6 | -109.4 | -30.8 | 0 | 0 | 0 | 105.3 | ||||
| 103 | G | 32.6 | Very low | 33.5 | Very low | 53 Ų | 53 | 142.3 Ų | 142.3 | 55% | 0.546 | 77% | 0.77 | S | S | . | * | cis | 165.4 | 161.5 | 0.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 104 | F | 30.1 | Very low | 33.4 | Very low | 201 Ų | 201 | 144.1 Ų | 144.1 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | 68.7 | 114.1 | 168.7 | -51.9 | -78.5 | 0 | 0 | 0 | 119.5 | ||||
| 105 | F | 37 | Very low | 33.4 | Very low | 203 Ų | 203 | 143 Ų | 143 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -87.5 | 155.7 | 156.5 | -61.8 | -108.8 | 0 | 0 | 0 | 109.8 | ||||
| 106 | L | 36.9 | Very low | 33.4 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -174.2 | 120.4 | 133.2 | -105.6 | 137.8 | 0 | 0 | 0 | 115.2 | ||||
| 107 | H | 34.8 | Very low | 33.3 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | 43.3 | 104.2 | 141.7 | -70 | -117.9 | 0 | 0 | 0 | 123.5 | ||||
| 108 | K | 32.2 | Very low | 33.2 | Very low | 160 Ų | 160 | 139 Ų | 139 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | 46 | 126 | 96.5 | -171.9 | 173.4 | 175.7 | -178.7 | 0 | 121.9 | |||||
| 109 | E | 30.9 | Very low | 32.8 | Very low | 148 Ų | 148 | 139 Ų | 139 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | 73.3 | 114 | 152.1 | -85.5 | 171.2 | -160.7 | 0 | 0 | 124.4 | ||||
| 110 | V | 39.8 | Very low | 32.7 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | 48 | 114.2 | 118.7 | -178.6 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 111 | T | 35.3 | Very low | 32.5 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 91% | 0.908 | 76% | 0.76 | S | S | * | * | -156.7 | 166.2 | 125 | -2.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 112 | G | 28.2 | Very low | 32.3 | Very low | 64 Ų | 64 | 144.9 Ų | 144.9 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | trans | -161.7 | 161.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 113 | R | 36.8 | Very low | 31.8 | Very low | 229 Ų | 229 | 142 Ų | 142 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -170.1 | 137 | 154.3 | -99 | -174.4 | -150.2 | 111.1 | 6.6 | 110.5 | ||||
| 114 | D | 30.2 | Very low | 31.7 | Very low | 145 Ų | 145 | 147.9 Ų | 147.9 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | trans | 37.4 | 120.1 | 134.3 | -38 | -31.4 | 0 | 0 | 0 | 120.8 | ||||
| 115 | S | 31.8 | Very low | 31.8 | Very low | 114 Ų | 114 | 147 Ų | 147 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | 168.4 | 143.7 | 130.8 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 116 | T | 31.3 | Very low | 31.6 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | cis | -179.7 | 131.5 | -15 | -76.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 117 | L | 30.3 | Very low | 31.3 | Very low | 142 Ų | 142 | 142.5 Ų | 142.5 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | 44.4 | 123.3 | 158.9 | -59.9 | 168.9 | 0 | 0 | 0 | 122.5 | ||||
| 118 | S | 30.3 | Very low | 31 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | -169.5 | 110.3 | 113.2 | -78.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 119 | N | 24.6 | Very low | 31.1 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | 57.1 | 111.8 | 83.4 | -88 | -1.5 | 0 | 0 | 0 | 113.8 | |||||
| 120 | T | 27.7 | Very low | 31.5 | Very low | 107 Ų | 107 | 145.4 Ų | 145.4 | 66% | 0.656 | 79% | 0.786 | S | S | * | * | 114.4 | 136.6 | 90.2 | -77.8 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 121 | Q | 31.7 | Very low | 31.5 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | cis | -148.5 | 144.8 | 1.3 | -113.4 | 160.8 | 11.6 | 0 | 0 | 107.6 | ||||
| 122 | K | 28.5 | Very low | 31.7 | Very low | 196 Ų | 196 | 144.1 Ų | 144.1 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | 65.4 | 153.9 | 90.5 | -68.7 | -161.4 | 173.7 | -169.8 | 0 | 118.6 | |||||
| 123 | S | 26.1 | Very low | 32.5 | Very low | 99 Ų | 99 | 143.8 Ų | 143.8 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | trans | 71.6 | 107 | 177.9 | -138.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 124 | E | 30.4 | Very low | 32.7 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | 63.3 | 111.7 | 54 | -56.1 | -169.8 | 169.2 | 0 | 0 | 114.4 | |||||
| 125 | H | 33.8 | Very low | 33.5 | Very low | 184 Ų | 184 | 137.4 Ų | 137.4 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | -168.3 | 82.9 | 131.9 | -101.2 | -67.3 | 0 | 0 | 0 | 112.6 | ||||
| 126 | N | 31.7 | Very low | 34.2 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | 45.7 | 144.1 | 131.1 | -113.5 | -34.4 | 0 | 0 | 0 | 125.2 | ||||
| 127 | V | 30.3 | Very low | 35.2 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | trans | 91.7 | 118.9 | 149.6 | 174.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 128 | R | 29.9 | Very low | 36.4 | Very low | 240 Ų | 240 | 136.5 Ų | 136.5 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | trans | 49.2 | 121.5 | 154.3 | -78.4 | 177.1 | 171.3 | 165 | -2.5 | 120.5 | ||||
| 129 | S | 33 | Very low | 37.3 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | -150.6 | 139.2 | 92.1 | -165.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 130 | L | 40.4 | Very low | 38.5 | Very low | 173 Ų | 173 | 136.7 Ų | 136.7 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | trans | -114.3 | 117.1 | 173.8 | -137.2 | 83.5 | 0 | 0 | 0 | 107.8 | ||||
| 131 | S | 39.1 | Very low | 39.5 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 166.5 | 105.5 | 149 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | G133 | S131-G133 VanDerWaalsContact C-N 3.28Å; S131-G133 PolarHBondContact O-N 2.97Å | ||
| 132 | C | 39.7 | Very low | 40.8 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 97% | 0.966 | 76% | 0.761 | S | S | * | * | trans | -84.3 | 79.6 | 161.1 | -168 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 133 | G | 44.2 | Very low | 41.5 | Very low | 56 Ų | 56 | 130.3 Ų | 130.3 | 58% | 0.577 | 76% | 0.762 | S | S | * | * | trans | -76.7 | 128.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S131 S135 | S131-G133 VanDerWaalsContact C-N 3.28Å; S131-G133 PolarHBondContact O-N 2.97Å; G133-S135 PolarHBondContact O-N 2.87Å | ||
| 134 | D | 41.2 | Very low | 42.1 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | -64.3 | 125.4 | -179.8 | -165.2 | -12.7 | 0 | 0 | 0 | 111.1 | Y136 A137 | D134-Y136 PolarHBondContact O-N 3.1Å; D134-A137 PolarHBondContact O-N 3.16Å; D134-A137 VanDerWaalsContact O-N 3.15Å | ||
| 135 | S | 47.3 | Very low | 42.9 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -64.1 | -18.6 | -168.3 | -156.4 | 0 | 0 | 0 | 0 | 113 | G133 A137 A138 | G133-S135 PolarHBondContact O-N 2.87Å; S135-A137 VanDerWaalsContact C-N 3.27Å; S135-A137 PolarHBondContact O-N 3.33Å; S135-A138 PolarHBondContact O-N 3.16Å |
| 136 | Y | 46.7 | Very low | 42.9 | Very low | 209 Ų | 209 | 133.1 Ų | 133.1 | 82% | 0.82 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -65 | -25.7 | 177.4 | -151.9 | -102.6 | 0 | 0 | 0 | 113.6 | D134 A138 | D134-Y136 PolarHBondContact O-N 3.1Å; Y136-A138 VanDerWaalsContact C-N 3.26Å; Y136-A138 PolarHBondContact O-N 3.04Å |
| 137 | A | 53.2 | Low | 43.1 | Very low | 60 Ų | 60 | 135.2 Ų | 135.2 | 50% | 0.496 | 76% | 0.762 | S | S | . | * | G | 310 helix | trans | -77.9 | -2.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D134 S135 | D134-A137 PolarHBondContact O-N 3.16Å; D134-A137 VanDerWaalsContact O-N 3.15Å; S135-A137 VanDerWaalsContact C-N 3.27Å; S135-A137 PolarHBondContact O-N 3.33Å |
| 138 | A | 54 | Low | 43.3 | Very low | 76 Ų | 76 | 135.5 Ų | 135.5 | 63% | 0.628 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -78.9 | -15.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S135 Y136 | S135-A138 PolarHBondContact O-N 3.16Å; Y136-A138 VanDerWaalsContact C-N 3.26Å; Y136-A138 PolarHBondContact O-N 3.04Å |
| 139 | L | 50.7 | Low | 43.7 | Very low | 155 Ų | 155 | 129.2 Ų | 129.2 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -113.2 | 7.4 | -169.1 | -61 | 177.3 | 0 | 0 | 0 | 114.9 | V141 | L139-V141 PolarHBondContact O-N 3.19Š|
| 140 | S | 50 | Low | 43.6 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | trans | -76.4 | 110.2 | 179.4 | -70.1 | 0 | 0 | 0 | 0 | 112.5 | G142 | S140-G142 PolarHBondContact O-N 3.22Š| ||
| 141 | V | 47.5 | Very low | 43.7 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 95% | 0.945 | 76% | 0.76 | S | S | * | * | trans | -76.3 | 35.9 | 177.4 | -65 | 0 | 0 | 0 | 0 | 114.3 | L139 | L139-V141 PolarHBondContact O-N 3.19Š| ||
| 142 | G | 59.2 | Low | 43.9 | Very low | 46 Ų | 46 | 124.1 Ų | 124.1 | 47% | 0.474 | 76% | 0.762 | S | S | . | * | S | Bend | trans | -100.5 | 147.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S140 R144 | S140-G142 PolarHBondContact O-N 3.22Å; G142-R144 PolarHBondContact O-N 3.48Å |
| 143 | P | 43.1 | Very low | 43.6 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | trans | -59.6 | 122.6 | 175.3 | -22.3 | 33.4 | 0 | 0 | 0 | 111.5 | L145 | P143-L145 PolarHBondContact O-N 3.38Š| ||
| 144 | R | 39.2 | Very low | 42.9 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | trans | -79.9 | 109.8 | 176.8 | -75.1 | -169.5 | 173.6 | -155.7 | -1.7 | 110.6 | G142 | G142-R144 PolarHBondContact O-N 3.48Š| ||
| 145 | L | 46.5 | Very low | 42.6 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -76.9 | 123 | 159.8 | -65.3 | 176.5 | 0 | 0 | 0 | 108.7 | P143 F147 | P143-L145 PolarHBondContact O-N 3.38Å; L145-F147 PolarHBondContact O-N 3.23Å | ||
| 146 | H | 34.6 | Very low | 41.7 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -83.7 | 109.9 | 179.1 | -78.2 | -115.3 | 0 | 0 | 0 | 110.3 | ||||
| 147 | F | 35.8 | Very low | 40.9 | Very low | 194 Ų | 194 | 136.1 Ų | 136.1 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -85.8 | 121.1 | 163.7 | -76.1 | -84.1 | 0 | 0 | 0 | 109.4 | L145 | L145-F147 PolarHBondContact O-N 3.23Š| ||
| 148 | S | 34.1 | Very low | 40 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -74.7 | 136.9 | 174.4 | -170.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 149 | A | 38.1 | Very low | 39.6 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -98.1 | 94.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 150 | G | 31.7 | Very low | 38.6 | Very low | 70 Ų | 70 | 141.7 Ų | 141.7 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -166.4 | 99.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 151 | A | 41.2 | Very low | 37.9 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -124.5 | 105.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 152 | P | 44.8 | Very low | 37.2 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | -94.2 | 116.9 | 177.7 | 33.2 | -28.4 | 0 | 0 | 0 | 111.3 | ||||
| 153 | N | 31.7 | Very low | 36 | Very low | 172 Ų | 172 | 148.3 Ų | 148.3 | 92% | 0.92 | 80% | 0.803 | S | S | * | * | trans | -102.4 | 93.7 | 164.4 | -100.7 | -10.8 | 0 | 0 | 0 | 109.4 | ||||
| 154 | R | 30.2 | Very low | 35.5 | Very low | 243 Ų | 243 | 148.6 Ų | 148.6 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | -162.7 | 136.8 | 151.4 | -149.7 | 165 | -177.4 | 138.8 | 0.8 | 112 | ||||
| 155 | L | 35.4 | Very low | 35.3 | Very low | 165 Ų | 165 | 146.7 Ų | 146.7 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -83.5 | 143.6 | 173.5 | -69.9 | 145.3 | 0 | 0 | 0 | 111.1 | ||||
| 156 | Q | 29.2 | Very low | 34.7 | Very low | 164 Ų | 164 | 147.1 Ų | 147.1 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | -166.9 | 122.7 | 132.7 | -105.3 | -173 | -85 | 0 | 0 | 111.3 | ||||
| 157 | E | 29.6 | Very low | 34.7 | Very low | 156 Ų | 156 | 144.8 Ų | 144.8 | 73% | 0.729 | 81% | 0.813 | S | S | * | * | trans | 45.7 | 97.7 | 145.8 | -66.2 | 156.8 | 126.2 | 0 | 0 | 120.7 | ||||
| 158 | E | 33.8 | Very low | 34.8 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 73% | 0.729 | 81% | 0.813 | S | S | * | * | 23 | 150.7 | 114 | -67 | -45.1 | 133.2 | 0 | 0 | 121 | D160 | E158-D160 PolarHBondContact OE2-N 3.08Š| |||
| 159 | P | 46.1 | Very low | 35.3 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | cis | -140.7 | 151.5 | 36.4 | 40.4 | -21.6 | 0 | 0 | 0 | 120.8 | ||||
| 160 | D | 29.1 | Very low | 35 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | trans | 36.9 | 130.1 | 137.4 | -78 | -46.6 | 0 | 0 | 0 | 123.2 | E158 | E158-D160 PolarHBondContact OE2-N 3.08Š| ||
| 161 | T | 35.8 | Very low | 35.2 | Very low | 121 Ų | 121 | 151 Ų | 151 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | trans | 157.5 | 134 | 143.6 | 33 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 162 | E | 33.2 | Very low | 35.1 | Very low | 171 Ų | 171 | 151.6 Ų | 151.6 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | cis | -136.2 | 169.2 | 7.5 | -55.9 | -72.7 | -172.1 | 0 | 0 | 110.7 | ||||
| 163 | D | 33.2 | Very low | 34.9 | Very low | 144 Ų | 144 | 156 Ų | 156 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | trans | -65.8 | 147.8 | -177.5 | -75.8 | -66.9 | 0 | 0 | 0 | 117.2 | ||||
| 164 | T | 33.2 | Very low | 35 | Very low | 139 Ų | 139 | 154.1 Ų | 154.1 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | -171.6 | 112.1 | 119.8 | -70.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 165 | L | 35.2 | Very low | 35.3 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 80% | 0.801 | 82% | 0.816 | S | S | * | * | trans | -101.2 | 122.7 | 172.9 | -72.4 | 170.8 | 0 | 0 | 0 | 110.9 | ||||
| 166 | D | 32.3 | Very low | 35 | Very low | 158 Ų | 158 | 147 Ų | 147 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | -173.3 | 117.5 | 146.1 | -110.8 | -25.1 | 0 | 0 | 0 | 111.7 | ||||
| 167 | S | 34.7 | Very low | 35.2 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | trans | 153.3 | 39.2 | 160.3 | -73 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 168 | L | 39 | Very low | 35.8 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -116.2 | 39.5 | -175.5 | -109.8 | 175.8 | 0 | 0 | 0 | 115.2 | ||||
| 169 | L | 43.3 | Very low | 36.1 | Very low | 176 Ų | 176 | 142.5 Ų | 142.5 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -141.9 | 81.4 | 171.3 | -73.9 | 179.6 | 0 | 0 | 0 | 112.6 | ||||
| 170 | S | 32.1 | Very low | 36.4 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -155.3 | 20.3 | 163.3 | -163.4 | 0 | 0 | 0 | 0 | 115.6 | S172 | S170-S172 PolarHBondContact O-N 3.36Š| ||
| 171 | D | 35.8 | Very low | 37.1 | Very low | 166 Ų | 166 | 147.7 Ų | 147.7 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | -88.6 | 82.5 | 176.5 | -101.9 | -27.9 | 0 | 0 | 0 | 111.7 | ||||
| 172 | S | 40 | Very low | 38 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | -171.7 | 90.5 | 160.5 | -87.4 | 0 | 0 | 0 | 0 | 114.3 | S170 | S170-S172 PolarHBondContact O-N 3.36Š| ||
| 173 | Y | 39.6 | Very low | 39 | Very low | 216 Ų | 216 | 156.4 Ų | 156.4 | 85% | 0.847 | 83% | 0.83 | S | S | * | * | -169.4 | 121.2 | 127.6 | 66 | -79.1 | 0 | 0 | 0 | 112.2 | |||||
| 174 | T | 34.8 | Very low | 40.4 | Very low | 133 Ų | 133 | 155 Ų | 155 | 82% | 0.816 | 83% | 0.827 | S | S | * | * | trans | 174.6 | 72.2 | 138.6 | 26 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 175 | S | 35.6 | Very low | 41.9 | Very low | 131 Ų | 131 | 155.4 Ų | 155.4 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | -68.7 | 130.8 | 162.1 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 176 | C | 28.9 | Very low | 43.9 | Very low | 127 Ų | 127 | 154.6 Ų | 154.6 | 86% | 0.858 | 81% | 0.812 | S | S | * | * | trans | -145 | 140.1 | 172 | -159.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 177 | S | 33.8 | Very low | 45.9 | Very low | 85 Ų | 85 | 157 Ų | 157 | 59% | 0.594 | 81% | 0.81 | S | S | * | * | trans | -70.3 | 143 | -157.2 | -169.3 | 0 | 0 | 0 | 0 | 115.1 | H179 | S177-H179 PolarHBondContact O-N 3.32Å; S177-H179 VanDerWaalsContact O-N 3.15Å; S177-H179 PolarHBondContact OG-CE1 3.37Å | ||
| 178 | D | 42.6 | Very low | 48.2 | Very low | 137 Ų | 137 | 159.4 Ų | 159.4 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | -74.7 | 100.3 | 170.3 | 178.7 | 10.6 | 0 | 0 | 0 | 111.1 | Q180 | D178-Q180 PolarHBondContact OD1-N 2.84Å; D178-Q180 VanDerWaalsContact OD1-N 3.14Å | ||
| 179 | H | 40.2 | Very low | 50.3 | Low | 160 Ų | 160 | 155 Ų | 155 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | -120.7 | 64.7 | 169.1 | -70.1 | -15.3 | 0 | 0 | 0 | 111.9 | S177 Q181 | S177-H179 PolarHBondContact O-N 3.32Å; S177-H179 VanDerWaalsContact O-N 3.15Å; S177-H179 PolarHBondContact OG-CE1 3.37Å; H179-Q181 PolarHBondContact O-N 2.88Å | ||
| 180 | Q | 51.7 | Low | 52.4 | Low | 176 Ų | 176 | 152.1 Ų | 152.1 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | 48.5 | 47.4 | 152.5 | -60.1 | -172.4 | 3.3 | 0 | 0 | 115.4 | D178 R182 | D178-Q180 PolarHBondContact OD1-N 2.84Å; D178-Q180 VanDerWaalsContact OD1-N 3.14Å; Q180-R182 PolarHBondContact O-N 2.93Å | ||
| 181 | Q | 43.2 | Very low | 54.8 | Low | 184 Ų | 184 | 152.2 Ų | 152.2 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | -67.3 | 103.4 | -171.6 | -163 | 167.6 | 60.8 | 0 | 0 | 111.9 | H179 R183 | H179-Q181 PolarHBondContact O-N 2.88Å; Q181-R183 PolarHBondContact O-N 3.03Å | ||
| 182 | R | 54.8 | Low | 57.5 | Low | 222 Ų | 222 | 152.1 Ų | 152.1 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | -49.1 | 135.5 | 169.4 | -74.3 | -176.6 | 174.1 | -172.2 | -0.2 | 109.2 | Q180 V184 | Q180-R182 PolarHBondContact O-N 2.93Å; R182-V184 VanDerWaalsContact C-N 3.26Å; R182-V184 PolarHBondContact O-N 3.15Å | ||
| 183 | R | 55.7 | Low | 59.5 | Low | 254 Ų | 254 | 154.9 Ų | 154.9 | 96% | 0.958 | 74% | 0.735 | S | S | * | * | trans | -71.1 | 77.7 | 177.7 | -63.4 | -173.5 | -177.5 | -160.2 | 0.4 | 111.1 | Q181 | Q181-R183 PolarHBondContact O-N 3.03Š| ||
| 184 | V | 61.1 | Low | 61.2 | Low | 115 Ų | 115 | 154.1 Ų | 154.1 | 70% | 0.697 | 74% | 0.736 | S | S | * | * | trans | -72.4 | 128.3 | 176.9 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | R182 K186 | R182-V184 VanDerWaalsContact C-N 3.26Å; R182-V184 PolarHBondContact O-N 3.15Å; V184-K186 PolarHBondContact O-N 2.79Å | ||
| 185 | I | 66.5 | Low | 63.6 | Low | 147 Ų | 147 | 150.7 Ų | 150.7 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | trans | -73 | 95.3 | 178.8 | -58.3 | 173.7 | 0 | 0 | 0 | 109.1 | R187 | I185-R187 PolarHBondContact O-N 3Š| ||
| 186 | K | 76.8 | Confident | 65.4 | Low | 136 Ų | 136 | 152.5 Ų | 152.5 | 59% | 0.591 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 117.6 | 174.2 | -60.5 | -161.7 | -176.7 | -162.2 | 0 | 110 | V184 S203 | V184-K186 PolarHBondContact O-N 2.79Å; K186-S203 PolarHBondContact NZ-OG 3.07Å |
| 187 | R | 74.4 | Confident | 68.2 | Low | 209 Ų | 209 | 150.4 Ų | 150.4 | 79% | 0.789 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 132.6 | 171.8 | -69.8 | 178.6 | 173.5 | 144.1 | -2.5 | 109.5 | I185 | I185-R187 PolarHBondContact O-N 3Š|
| 188 | K | 83.1 | Confident | 70.5 | Confident | 175 Ų | 175 | 150.8 Ų | 150.8 | 76% | 0.761 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 125.2 | 171.8 | -77.2 | -176.5 | 175.9 | -174.8 | 0 | 109 | I199 | K188-I199 HydrophobicContact CB-CG2 3.66Å; K188-I199 HydrophobicContact CD-CG2 4.1Å; K188-I199 HydrophobicContact CG-CG2 3.96Å |
| 189 | V | 82.9 | Confident | 72.2 | Confident | 70 Ų | 70 | 149.4 Ų | 149.4 | 42% | 0.424 | 69% | 0.688 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.7 | 123.9 | 179.2 | -177 | 0 | 0 | 0 | 0 | 109.6 | R191 I199 C200 | V189-R191 HydrophobicContact CG1-CG 4.17Å; V189-R191 PolarHBondContact O-N 3.44Å; V189-I199 WeakPolarHBondContact O-CA 3.48Å; V189-C200 PolarHBondContact N-O 3.41Å; V189-C200 VanDerWaalsContact N-O 3.15Å; V189-C200 PolarHBondContact O-N 3.49Å |
| 190 | L | 86.9 | Confident | 73.7 | Confident | 116 Ų | 116 | 143.4 Ų | 143.4 | 61% | 0.607 | 66% | 0.663 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.1 | 115.7 | 171.8 | -174.3 | 66.9 | 0 | 0 | 0 | 109 | I199 | L190-I199 HydrophobicContact CD1-CG1 3.7Å |
| 191 | R | 82.5 | Confident | 74.6 | Confident | 123 Ų | 123 | 138.8 Ų | 138.8 | 46% | 0.464 | 65% | 0.65 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.7 | 160.8 | 172.2 | -61.5 | -172.2 | -173.8 | -114.9 | 18.4 | 109.5 | V189 S197 F198 E202 | V189-R191 HydrophobicContact CG1-CG 4.17Å; V189-R191 PolarHBondContact O-N 3.44Å; R191-S197 WeakPolarHBondContact O-CA 3.39Å; R191-F198 HydrophobicContact CB-CE1 4.24Å; R191-F198 HydrophobicContact CB-CZ 4.37Å; R191-F198 PolarHBondContact N-O 3.43Å; R191-F198 WeakPolarHBondContact O-CD1 3.38Å; R191-F198 PolarHBondContact O-N 2.82Å; R191-E202 IonicContact CZ-OE1 3.18Å; R191-E202 IonicContact CZ-OE2 2.91Å; R191-E202 VanDerWaalsContact CZ-OE2 3.29Å; R191-E202 IonicContact NE-OE2 2.77Å; R191-E202 PolarHBondContact NE-OE2 3.4Å; R191-E202 VanDerWaalsContact NE-OE2 3.07Å; R191-E202 IonicContact NH2-OE1 3.48Å; R191-E202 PolarHBondContact NH2-OE1 3.02Å; R191-E202 IonicContact NH2-OE2 3.93Å; R191-E202 PolarHBondContact NH2-OE2 3.14Å |
| 192 | K | 91.9 | Very high | 75.1 | Confident | 164 Ų | 164 | 135.8 Ų | 135.8 | 71% | 0.713 | 64% | 0.636 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -126.4 | 119.4 | 178.8 | -170.1 | -178.6 | -176.8 | -178.5 | 0 | 109.9 | G195 K196 | K192-G195 WeakPolarHBondContact CE-O 3.42Å; K192-K196 CarbonylContact C-O 3.53Å; K192-K196 VanDerWaalsContact CA-O 3.32Å; K192-K196 WeakPolarHBondContact CA-O 3.05Å |
| 193 | R | 81.6 | Confident | 74.8 | Confident | 172 Ų | 172 | 128.8 Ų | 128.8 | 65% | 0.649 | 62% | 0.622 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -129.1 | 134.8 | 178 | -171.5 | -178.5 | -170.8 | -165.5 | 6.4 | 108.4 | G195 K196 F198 | R193-G195 VanDerWaalsContact C-N 3.29Å; R193-G195 PolarHBondContact O-N 2.71Å; R193-K196 PolarHBondContact N-O 3.21Å; R193-K196 PolarHBondContact O-N 2.95Å; R193-K196 VanDerWaalsContact O-N 3.12Å; R193-F198 HydrophobicContact CB-CE1 3.62Å; R193-F198 HydrophobicContact CB-CZ 4.21Å |
| 194 | K | 75.4 | Confident | 74.3 | Confident | 201 Ų | 201 | 123.4 Ų | 123.4 | 87% | 0.874 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45.4 | 50.5 | -178.1 | -64.3 | -176.8 | 177.1 | -177 | 0 | 112.7 | K196 | K194-K196 PolarHBondContact O-N 3.4Š|
| 195 | G | 85.6 | Confident | 73.5 | Confident | 60 Ų | 60 | 129.2 Ų | 129.2 | 62% | 0.619 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78 | -28.2 | 179 | 0 | 0 | 0 | 0 | 0 | 116.3 | K192 R193 | K192-G195 WeakPolarHBondContact CE-O 3.42Å; R193-G195 VanDerWaalsContact C-N 3.29Å; R193-G195 PolarHBondContact O-N 2.71Å |
| 196 | K | 74.6 | Confident | 72.6 | Confident | 169 Ų | 169 | 127.5 Ų | 127.5 | 74% | 0.735 | 62% | 0.618 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 141.5 | -177.1 | -64.4 | -179.9 | 179.8 | 179.5 | 0 | 111.8 | K192 R193 K194 | K192-K196 CarbonylContact C-O 3.53Å; K192-K196 VanDerWaalsContact CA-O 3.32Å; K192-K196 WeakPolarHBondContact CA-O 3.05Å; R193-K196 PolarHBondContact N-O 3.21Å; R193-K196 PolarHBondContact O-N 2.95Å; R193-K196 VanDerWaalsContact O-N 3.12Å; K194-K196 PolarHBondContact O-N 3.4Å |
| 197 | S | 87.6 | Confident | 71.1 | Confident | 84 Ų | 84 | 128.1 Ų | 128.1 | 59% | 0.587 | 63% | 0.628 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96 | 140 | 174.8 | 47.9 | 0 | 0 | 0 | 0 | 111.3 | R191 | R191-S197 WeakPolarHBondContact O-CA 3.39Å |
| 198 | F | 80.8 | Confident | 69.8 | Low | 92 Ų | 92 | 123.1 Ų | 123.1 | 40% | 0.404 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -147.7 | 153.1 | -179.4 | 65.2 | -68.4 | 0 | 0 | 0 | 110.3 | R191 R193 C200 | R191-F198 HydrophobicContact CB-CE1 4.24Å; R191-F198 HydrophobicContact CB-CZ 4.37Å; R191-F198 PolarHBondContact N-O 3.43Å; R191-F198 WeakPolarHBondContact O-CD1 3.38Å; R191-F198 PolarHBondContact O-N 2.82Å; R193-F198 HydrophobicContact CB-CE1 3.62Å; R193-F198 HydrophobicContact CB-CZ 4.21Å; F198-C200 WeakPolarHBondContact CE2-SG 3.21Å |
| 199 | I | 78.9 | Confident | 68.2 | Low | 109 Ų | 109 | 118.5 Ų | 118.5 | 56% | 0.559 | 61% | 0.607 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.1 | 111.6 | -174.6 | -62.3 | 171.8 | 0 | 0 | 0 | 109 | K188 V189 L190 | K188-I199 HydrophobicContact CB-CG2 3.66Å; K188-I199 HydrophobicContact CD-CG2 4.1Å; K188-I199 HydrophobicContact CG-CG2 3.96Å; V189-I199 WeakPolarHBondContact O-CA 3.48Å; L190-I199 HydrophobicContact CD1-CG1 3.7Å |
| 200 | C | 71.5 | Confident | 66.8 | Low | 33 Ų | 33 | 122.3 Ų | 122.3 | 22% | 0.223 | 63% | 0.625 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.4 | 140 | 173.7 | -74 | 0 | 0 | 0 | 0 | 111.5 | V189 F198 E202 | V189-C200 PolarHBondContact N-O 3.41Å; V189-C200 VanDerWaalsContact N-O 3.15Å; V189-C200 PolarHBondContact O-N 3.49Å; F198-C200 WeakPolarHBondContact CE2-SG 3.21Å; C200-E202 HydrophobicContact CB-CB 4.4Å |
| 201 | S | 69.8 | Low | 65.2 | Low | 79 Ų | 79 | 120.5 Ų | 120.5 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | trans | -108.3 | 73.9 | 159.3 | 56.4 | 0 | 0 | 0 | 0 | 108.4 | S203 | S201-S203 PolarHBondContact O-N 2.92Š| ||
| 202 | E | 54.6 | Low | 63.5 | Low | 121 Ų | 121 | 117.8 Ų | 117.8 | 57% | 0.565 | 63% | 0.626 | S | S | * | * | trans | -72.9 | 107.4 | -164.2 | -152.2 | 164.6 | 139.1 | 0 | 0 | 111.7 | R191 C200 | R191-E202 IonicContact CZ-OE1 3.18Å; R191-E202 IonicContact CZ-OE2 2.91Å; R191-E202 VanDerWaalsContact CZ-OE2 3.29Å; R191-E202 IonicContact NE-OE2 2.77Å; R191-E202 PolarHBondContact NE-OE2 3.4Å; R191-E202 VanDerWaalsContact NE-OE2 3.07Å; R191-E202 IonicContact NH2-OE1 3.48Å; R191-E202 PolarHBondContact NH2-OE1 3.02Å; R191-E202 IonicContact NH2-OE2 3.93Å; R191-E202 PolarHBondContact NH2-OE2 3.14Å; C200-E202 HydrophobicContact CB-CB 4.4Å | ||
| 203 | S | 49 | Very low | 61.6 | Low | 76 Ų | 76 | 113.2 Ų | 113.2 | 53% | 0.531 | 62% | 0.615 | S | S | . | * | trans | -157.4 | 36.1 | 167.7 | 76.3 | 0 | 0 | 0 | 0 | 111.2 | K186 S201 | K186-S203 PolarHBondContact NZ-OG 3.07Å; S201-S203 PolarHBondContact O-N 2.92Å | ||
| 204 | I | 44.6 | Very low | 60.2 | Low | 140 Ų | 140 | 109.1 Ų | 109.1 | 72% | 0.718 | 61% | 0.611 | S | S | * | * | trans | -139.2 | 121.8 | 177 | -58.7 | 178 | 0 | 0 | 0 | 105 | ||||
| 205 | Y | 43.8 | Very low | 59.3 | Low | 238 Ų | 238 | 105.3 Ų | 105.3 | 93% | 0.933 | 60% | 0.6 | S | S | * | * | trans | -73.3 | 120.7 | 161.1 | -81.6 | -94.6 | 0 | 0 | 0 | 106.6 | ||||
| 206 | T | 47.3 | Very low | 58.3 | Low | 110 Ų | 110 | 109.5 Ų | 109.5 | 68% | 0.675 | 60% | 0.603 | S | S | * | * | trans | -84.7 | 129.5 | 167 | -51.1 | 0 | 0 | 0 | 0 | 107.7 | D208 | T206-D208 PolarHBondContact O-N 2.89Š| ||
| 207 | D | 46.4 | Very low | 57.5 | Low | 149 Ų | 149 | 108.3 Ų | 108.3 | 80% | 0.797 | 60% | 0.6 | S | S | * | * | trans | -80.4 | 67.5 | -175.9 | -161.3 | 19.3 | 0 | 0 | 0 | 110.9 | S209 | D207-S209 PolarHBondContact O-N 3.39Š| ||
| 208 | D | 46.1 | Very low | 56.2 | Low | 105 Ų | 105 | 112.7 Ų | 112.7 | 56% | 0.561 | 60% | 0.604 | S | S | * | * | trans | -74.5 | 75.6 | 173.8 | -80.1 | -1.1 | 0 | 0 | 0 | 108.8 | T206 D210 A211 | T206-D208 PolarHBondContact O-N 2.89Å; D208-D210 PolarHBondContact O-N 3.18Å; D208-A211 PolarHBondContact O-N 3.05Å | ||
| 209 | S | 50.8 | Low | 55.2 | Low | 78 Ų | 78 | 113.8 Ų | 113.8 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -51.6 | -23.8 | -172.3 | -173.5 | 0 | 0 | 0 | 0 | 115.5 | D207 A211 S212 | D207-S209 PolarHBondContact O-N 3.39Å; S209-A211 PolarHBondContact O-N 3.06Å; S209-S212 PolarHBondContact O-N 3.46Å; S209-S212 PolarHBondContact O-OG 3.33Å |
| 210 | D | 52.8 | Low | 54.4 | Low | 150 Ų | 150 | 111.5 Ų | 111.5 | 80% | 0.802 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -67.7 | -15.4 | 179.1 | -58.2 | -32.4 | 0 | 0 | 0 | 113.6 | D208 | D208-D210 PolarHBondContact O-N 3.18Š|
| 211 | A | 52.8 | Low | 53.7 | Low | 78 Ų | 78 | 116.9 Ų | 116.9 | 65% | 0.645 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -82.4 | -17.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D208 S209 | D208-A211 PolarHBondContact O-N 3.05Å; S209-A211 PolarHBondContact O-N 3.06Å |
| 212 | S | 48.2 | Very low | 53.1 | Low | 66 Ų | 66 | 118.8 Ų | 118.8 | 46% | 0.462 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.1 | -46 | -172.6 | -40.6 | 0 | 0 | 0 | 0 | 112.7 | S209 C214 L215 E216 | S209-S212 PolarHBondContact O-N 3.46Å; S209-S212 PolarHBondContact O-OG 3.33Å; S212-C214 VanDerWaalsContact C-N 3.33Å; S212-C214 PolarHBondContact O-N 2.93Å; S212-L215 WeakPolarHBondContact O-CB 3.25Å; S212-L215 PolarHBondContact O-N 3.23Å; S212-E216 PolarHBondContact O-N 3.02Å |
| 213 | S | 50.5 | Low | 53 | Low | 68 Ų | 68 | 119.8 Ų | 119.8 | 48% | 0.476 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -60.9 | -39.1 | -172.4 | 51 | 0 | 0 | 0 | 0 | 113.1 | L215 E216 E217 | S213-L215 PolarHBondContact O-N 2.93Å; S213-L215 VanDerWaalsContact O-N 3.16Å; S213-E216 PolarHBondContact O-N 3.47Å; S213-E216 VanDerWaalsContact O-N 3.1Å; S213-E217 WeakPolarHBondContact O-CB 3.43Å; S213-E217 PolarHBondContact O-N 2.85Å |
| 214 | C | 52.1 | Low | 53 | Low | 85 Ų | 85 | 123.3 Ų | 123.3 | 57% | 0.574 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -62.8 | -18.2 | 177.1 | -176.3 | 0 | 0 | 0 | 0 | 113.8 | S212 | S212-C214 VanDerWaalsContact C-N 3.33Å; S212-C214 PolarHBondContact O-N 2.93Å |
| 215 | L | 57.6 | Low | 52.9 | Low | 121 Ų | 121 | 122.7 Ų | 122.7 | 63% | 0.634 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -87.4 | -41 | 171.7 | -174.4 | 65.7 | 0 | 0 | 0 | 111.4 | S212 S213 R218 M219 | S212-L215 WeakPolarHBondContact O-CB 3.25Å; S212-L215 PolarHBondContact O-N 3.23Å; S213-L215 PolarHBondContact O-N 2.93Å; S213-L215 VanDerWaalsContact O-N 3.16Å; L215-R218 PolarHBondContact O-N 3.48Å; L215-M219 WeakPolarHBondContact O-CG 3.27Å; L215-M219 PolarHBondContact O-N 3.19Å |
| 216 | E | 65.6 | Low | 52.8 | Low | 148 Ų | 148 | 117 Ų | 117 | 69% | 0.692 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67.9 | -47.5 | -177.3 | -171.8 | 169 | -170.1 | 0 | 0 | 112.2 | S212 S213 R218 M219 A220 | S212-E216 PolarHBondContact O-N 3.02Å; S213-E216 PolarHBondContact O-N 3.47Å; S213-E216 VanDerWaalsContact O-N 3.1Å; E216-R218 PolarHBondContact O-N 2.6Å; E216-M219 PolarHBondContact O-N 2.88Å; E216-A220 PolarHBondContact O-N 3.19Å; E216-A220 VanDerWaalsContact O-N 3.16Å |
| 217 | E | 56 | Low | 52.6 | Low | 144 Ų | 144 | 118.5 Ų | 118.5 | 67% | 0.673 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -52.2 | -41.2 | 172.8 | -177.1 | 174.6 | -145.3 | 0 | 0 | 111.5 | S213 M219 A220 E221 | S213-E217 WeakPolarHBondContact O-CB 3.43Å; S213-E217 PolarHBondContact O-N 2.85Å; E217-M219 PolarHBondContact O-N 2.88Å; E217-A220 PolarHBondContact O-N 3.44Å; E217-E221 PolarHBondContact O-N 2.93Å |
| 218 | R | 60.2 | Low | 52.2 | Low | 176 Ų | 176 | 121.3 Ų | 121.3 | 66% | 0.664 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -77.4 | -16.7 | -178.3 | -161.3 | 177.1 | -170 | 164.5 | 7 | 114.5 | L215 E216 | L215-R218 PolarHBondContact O-N 3.48Å; E216-R218 PolarHBondContact O-N 2.6Å |
| 219 | M | 60.3 | Low | 51.7 | Low | 116 Ų | 116 | 123.8 Ų | 123.8 | 57% | 0.571 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -82 | -39.4 | 170.4 | -67.1 | -67.5 | -66.9 | 0 | 0 | 110.1 | L215 E216 E217 E221 L222 | L215-M219 WeakPolarHBondContact O-CG 3.27Å; L215-M219 PolarHBondContact O-N 3.19Å; E216-M219 PolarHBondContact O-N 2.88Å; E217-M219 PolarHBondContact O-N 2.88Å; M219-E221 VanDerWaalsContact C-N 3.28Å; M219-E221 PolarHBondContact O-N 3.33Å; M219-L222 WeakPolarHBondContact O-CB 3.23Å; M219-L222 PolarHBondContact O-N 2.84Å; M219-L222 VanDerWaalsContact O-N 3.08Å |
| 220 | A | 63.4 | Low | 50.7 | Low | 61 Ų | 61 | 125.5 Ų | 125.5 | 50% | 0.504 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -62.9 | -29.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E216 E217 L222 | E216-A220 PolarHBondContact O-N 3.19Å; E216-A220 VanDerWaalsContact O-N 3.16Å; E217-A220 PolarHBondContact O-N 3.44Å; A220-L222 PolarHBondContact O-N 2.98Å |
| 221 | E | 56.2 | Low | 50.1 | Low | 145 Ų | 145 | 128.5 Ų | 128.5 | 68% | 0.678 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -19.1 | 173.5 | -71.7 | -170.1 | 132.5 | 0 | 0 | 114.1 | E217 M219 | E217-E221 PolarHBondContact O-N 2.93Å; M219-E221 VanDerWaalsContact C-N 3.28Å; M219-E221 PolarHBondContact O-N 3.33Å |
| 222 | L | 57.2 | Low | 49.3 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 62% | 0.623 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -22.2 | -174.2 | -62.9 | 175 | 0 | 0 | 0 | 114.1 | M219 A220 L224 | M219-L222 WeakPolarHBondContact O-CB 3.23Å; M219-L222 PolarHBondContact O-N 2.84Å; M219-L222 VanDerWaalsContact O-N 3.08Å; A220-L222 PolarHBondContact O-N 2.98Å; L222-L224 VanDerWaalsContact C-N 3.33Å; L222-L224 PolarHBondContact O-N 2.79Å |
| 223 | D | 51.7 | Low | 48.8 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 77% | 0.765 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -1.5 | -172.1 | -69.9 | -30.1 | 0 | 0 | 0 | 113.9 | ||
| 224 | L | 50.3 | Low | 48.2 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 10.8 | -172.3 | -68.9 | 176.2 | 0 | 0 | 0 | 115.7 | L222 | L222-L224 VanDerWaalsContact C-N 3.33Å; L222-L224 PolarHBondContact O-N 2.79Å |
| 225 | T | 42.5 | Very low | 47.7 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | trans | -120.6 | 62.2 | 179.5 | 62.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 226 | S | 41 | Very low | 46.7 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 84% | 0.839 | 71% | 0.714 | S | S | * | * | trans | -149 | 34 | 165.8 | -148 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 227 | D | 43.2 | Very low | 45.2 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | trans | -82.2 | 112.8 | 163.1 | 170.9 | 37.2 | 0 | 0 | 0 | 110.5 | ||||
| 228 | R | 37.9 | Very low | 44.5 | Very low | 208 Ų | 208 | 138.8 Ų | 138.8 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | 175.3 | 123.4 | 126.6 | -97.2 | 167.2 | 176.5 | -149 | -3.8 | 113.7 | |||||
| 229 | K | 34.5 | Very low | 43.3 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | 44.9 | 134.5 | 125.5 | -64 | -164.6 | 129.3 | -65.6 | 0 | 119.9 | |||||
| 230 | D | 31.1 | Very low | 41.9 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 60% | 0.604 | 74% | 0.736 | S | S | * | * | cis | -141.3 | -157.7 | -8.3 | -73.8 | -46.5 | 0 | 0 | 0 | 105.8 | ||||
| 231 | Y | 40 | Very low | 40.5 | Very low | 214 Ų | 214 | 140 Ų | 140 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | cis | -159 | -175.3 | 11.9 | 31.4 | -115.6 | 0 | 0 | 0 | 110.2 | ||||
| 232 | D | 35.8 | Very low | 39.8 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | -75.6 | 157.9 | -158.5 | -41 | -86 | 0 | 0 | 0 | 117.4 | ||||
| 233 | T | 36.9 | Very low | 38.9 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | -179.6 | 112.7 | 112.2 | -63.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 234 | D | 39 | Very low | 38.2 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | 30.4 | 143.6 | 137 | -48.2 | -7.3 | 0 | 0 | 0 | 121.4 | ||||
| 235 | E | 41.9 | Very low | 37.9 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | cis | -169.1 | 176.3 | -5.7 | -112.6 | -71.1 | -158.9 | 0 | 0 | 109.4 | ||||
| 236 | N | 36.8 | Very low | 37.8 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | 91.6 | 82.4 | 146.9 | -143.9 | 75.1 | 0 | 0 | 0 | 120.9 | ||||
| 237 | D | 32.8 | Very low | 38 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | 95.5 | 119.9 | 112.9 | -139.8 | 3.3 | 0 | 0 | 0 | 123.3 | |||||
| 238 | S | 41 | Very low | 38.1 | Very low | 88 Ų | 88 | 136 Ų | 136 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | trans | 86.9 | 113.9 | 136.2 | -86 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 239 | Q | 35.7 | Very low | 38.8 | Very low | 196 Ų | 196 | 131.2 Ų | 131.2 | 92% | 0.916 | 72% | 0.72 | S | S | * | * | trans | 70.6 | 125 | 143.4 | -58.9 | -172.2 | -1.1 | 0 | 0 | 121.8 | ||||
| 240 | G | 30.5 | Very low | 39.4 | Very low | 81 Ų | 81 | 127.9 Ų | 127.9 | 84% | 0.835 | 72% | 0.722 | S | S | * | * | trans | 154.2 | 110 | 153.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 241 | S | 35.3 | Very low | 40.2 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | trans | -56.1 | 150.4 | -176.7 | -123.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 242 | E | 40.2 | Very low | 40.7 | Very low | 163 Ų | 163 | 126.9 Ų | 126.9 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | trans | 43 | 99 | 139.1 | -63.4 | 163.9 | 107.7 | 0 | 0 | 119.6 | ||||
| 243 | T | 38.8 | Very low | 41.5 | Very low | 135 Ų | 135 | 124 Ų | 124 | 83% | 0.828 | 70% | 0.703 | S | S | * | * | -175.9 | 119.7 | 96.6 | 22.9 | 0 | 0 | 0 | 0 | 110.2 | A245 | T243-A245 PolarHBondContact O-N 2.88Š| |||
| 244 | D | 37.8 | Very low | 42.1 | Very low | 148 Ų | 148 | 122.2 Ų | 122.2 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | trans | -79.4 | 72.6 | -179.4 | -169.3 | 14.1 | 0 | 0 | 0 | 111.9 | V246 | D244-V246 VanDerWaalsContact C-N 3.34Å; D244-V246 PolarHBondContact O-N 2.95Å | ||
| 245 | A | 42.9 | Very low | 42.7 | Very low | 83 Ų | 83 | 120.7 Ų | 120.7 | 69% | 0.686 | 69% | 0.686 | S | S | * | * | trans | -81.5 | 82.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | T243 D247 | T243-A245 PolarHBondContact O-N 2.88Å; A245-D247 PolarHBondContact O-N 2.64Å | ||
| 246 | V | 41.5 | Very low | 42.9 | Very low | 88 Ų | 88 | 117.1 Ų | 117.1 | 53% | 0.533 | 67% | 0.672 | S | S | . | * | trans | -52.8 | 93.5 | -177.9 | -166.6 | 0 | 0 | 0 | 0 | 111.3 | D244 F248 | D244-V246 VanDerWaalsContact C-N 3.34Å; D244-V246 PolarHBondContact O-N 2.95Å; V246-F248 HydrophobicContact CB-CE2 4.11Å; V246-F248 HydrophobicContact CG1-CD2 4.28Å; V246-F248 HydrophobicContact CG1-CE2 3.81Å; V246-F248 HydrophobicContact CG1-CZ 4.12Å; V246-F248 WeakPolarHBondContact O-CD2 3.44Å; V246-F248 PolarHBondContact O-N 3.39Å | ||
| 247 | D | 44.7 | Very low | 43.5 | Very low | 97 Ų | 97 | 116.2 Ų | 116.2 | 52% | 0.519 | 67% | 0.671 | S | S | . | * | trans | -82.5 | 82 | -167 | -159.7 | 45.7 | 0 | 0 | 0 | 110.6 | A245 P249 R252 | A245-D247 PolarHBondContact O-N 2.64Å; D247-P249 WeakPolarHBondContact O-CD 3.4Å; D247-R252 IonicContact OD1-CZ 3.07Å; D247-R252 VanDerWaalsContact OD1-CZ 3.3Å; D247-R252 IonicContact OD1-NE 2.67Å; D247-R252 PolarHBondContact OD1-NE 2.94Å; D247-R252 IonicContact OD1-NH2 2.91Å; D247-R252 PolarHBondContact OD1-NH2 2.89Å; D247-R252 IonicContact OD2-CZ 3.94Å; D247-R252 IonicContact OD2-NE 3.3Å; D247-R252 PolarHBondContact OD2-NE 3.14Å; D247-R252 IonicContact OD2-NH2 2.6Å | ||
| 248 | F | 44.1 | Very low | 44.4 | Very low | 147 Ų | 147 | 115.8 Ų | 115.8 | 65% | 0.645 | 67% | 0.673 | S | S | * | * | trans | -60 | 106.3 | 179.1 | -74.5 | -88.1 | 0 | 0 | 0 | 111.3 | V246 A250 F251 | V246-F248 HydrophobicContact CB-CE2 4.11Å; V246-F248 HydrophobicContact CG1-CD2 4.28Å; V246-F248 HydrophobicContact CG1-CE2 3.81Å; V246-F248 HydrophobicContact CG1-CZ 4.12Å; V246-F248 WeakPolarHBondContact O-CD2 3.44Å; V246-F248 PolarHBondContact O-N 3.39Å; F248-A250 PolarHBondContact O-N 2.74Å; F248-A250 VanDerWaalsContact O-N 3.12Å; F248-F251 PolarHBondContact O-N 3.25Å | ||
| 249 | P | 53.3 | Low | 44.8 | Very low | 107 Ų | 107 | 116.5 Ų | 116.5 | 70% | 0.695 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -67.1 | -25.3 | -169.9 | 27.1 | -35.2 | 0 | 0 | 0 | 112.5 | D247 F251 S253 | D247-P249 WeakPolarHBondContact O-CD 3.4Å; P249-F251 PolarHBondContact O-N 2.95Å; P249-S253 PolarHBondContact O-N 3.23Å |
| 250 | A | 47.3 | Very low | 45.1 | Very low | 87 Ų | 87 | 114.1 Ų | 114.1 | 72% | 0.719 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -62.2 | -27.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | F248 | F248-A250 PolarHBondContact O-N 2.74Å; F248-A250 VanDerWaalsContact O-N 3.12Å |
| 251 | F | 47 | Very low | 46.1 | Very low | 147 Ų | 147 | 115.8 Ų | 115.8 | 65% | 0.645 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -81.6 | -46.9 | -176.9 | -168.3 | -107.4 | 0 | 0 | 0 | 112.2 | F248 P249 S253 C254 I255 | F248-F251 PolarHBondContact O-N 3.25Å; P249-F251 PolarHBondContact O-N 2.95Å; F251-S253 VanDerWaalsContact C-N 3.27Å; F251-S253 PolarHBondContact O-N 3.49Å; F251-C254 WeakPolarHBondContact O-CB 3.37Å; F251-C254 PolarHBondContact O-N 3.4Å; F251-I255 HydrophobicContact CD1-CD1 4.41Å; F251-I255 HydrophobicContact CE1-CD1 3.93Å; F251-I255 HydrophobicContact CZ-CD1 4.48Å |
| 252 | R | 51.7 | Low | 46.5 | Very low | 159 Ų | 159 | 117.1 Ų | 117.1 | 60% | 0.6 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -59 | -38.5 | 177.2 | -69.6 | -171.7 | -176.5 | -101 | -1.7 | 112.3 | D247 C254 I255 D256 | D247-R252 IonicContact OD1-CZ 3.07Å; D247-R252 VanDerWaalsContact OD1-CZ 3.3Å; D247-R252 IonicContact OD1-NE 2.67Å; D247-R252 PolarHBondContact OD1-NE 2.94Å; D247-R252 IonicContact OD1-NH2 2.91Å; D247-R252 PolarHBondContact OD1-NH2 2.89Å; D247-R252 IonicContact OD2-CZ 3.94Å; D247-R252 IonicContact OD2-NE 3.3Å; D247-R252 PolarHBondContact OD2-NE 3.14Å; D247-R252 IonicContact OD2-NH2 2.6Å; R252-C254 PolarHBondContact O-N 3.46Å; R252-C254 VanDerWaalsContact O-N 3.09Å; R252-I255 PolarHBondContact O-N 2.71Å; R252-I255 VanDerWaalsContact O-N 3.07Å; R252-D256 PolarHBondContact O-N 3.28Å |
| 253 | S | 51.6 | Low | 46.9 | Very low | 82 Ų | 82 | 119.2 Ų | 119.2 | 57% | 0.573 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -57.2 | -23.2 | 176.1 | -175.2 | 0 | 0 | 0 | 0 | 114 | P249 F251 V257 | P249-S253 PolarHBondContact O-N 3.23Å; F251-S253 VanDerWaalsContact C-N 3.27Å; F251-S253 PolarHBondContact O-N 3.49Å; S253-V257 WeakPolarHBondContact O-CG2 3.5Å |
| 254 | C | 50.5 | Low | 47.1 | Very low | 89 Ų | 89 | 121.9 Ų | 121.9 | 60% | 0.601 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -78.9 | -34 | 176.9 | -169.8 | 0 | 0 | 0 | 0 | 113.2 | F251 R252 | F251-C254 WeakPolarHBondContact O-CB 3.37Å; F251-C254 PolarHBondContact O-N 3.4Å; R252-C254 PolarHBondContact O-N 3.46Å; R252-C254 VanDerWaalsContact O-N 3.09Å |
| 255 | I | 51.9 | Low | 48 | Very low | 103 Ų | 103 | 121.4 Ų | 121.4 | 53% | 0.528 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -81.6 | -38.6 | -173.7 | -55.3 | -178.9 | 0 | 0 | 0 | 110.8 | F251 R252 V257 V258 | F251-I255 HydrophobicContact CD1-CD1 4.41Å; F251-I255 HydrophobicContact CE1-CD1 3.93Å; F251-I255 HydrophobicContact CZ-CD1 4.48Å; R252-I255 PolarHBondContact O-N 2.71Å; R252-I255 VanDerWaalsContact O-N 3.07Å; I255-V257 PolarHBondContact O-N 2.83Å; I255-V258 WeakPolarHBondContact O-CB 3.17Å; I255-V258 PolarHBondContact O-N 2.94Å |
| 256 | D | 45.2 | Very low | 48.4 | Very low | 95 Ų | 95 | 128.2 Ų | 128.2 | 51% | 0.508 | 68% | 0.675 | S | S | . | * | G | 310 helix | trans | -65.1 | -22.1 | -178.4 | -145.9 | 45.1 | 0 | 0 | 0 | 113.2 | R252 V258 T259 Q260 | R252-D256 PolarHBondContact O-N 3.28Å; D256-V258 PolarHBondContact O-N 2.79Å; D256-T259 PolarHBondContact O-OG1 3.26Å; D256-Q260 PolarHBondContact OD2-NE2 3.02Å |
| 257 | V | 49.7 | Very low | 49.3 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 69% | 0.691 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -73.2 | -13.3 | 174.7 | 171.8 | 0 | 0 | 0 | 0 | 112.9 | S253 I255 | S253-V257 WeakPolarHBondContact O-CG2 3.5Å; I255-V257 PolarHBondContact O-N 2.83Å |
| 258 | V | 51.4 | Low | 50.2 | Low | 122 Ų | 122 | 133.5 Ų | 133.5 | 74% | 0.739 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -85.4 | -24.3 | -177.9 | -175.2 | 0 | 0 | 0 | 0 | 112.4 | I255 D256 | I255-V258 WeakPolarHBondContact O-CB 3.17Å; I255-V258 PolarHBondContact O-N 2.94Å; D256-V258 PolarHBondContact O-N 2.79Å |
| 259 | T | 49 | Very low | 51.1 | Low | 104 Ų | 104 | 131.3 Ų | 131.3 | 64% | 0.638 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -21.4 | -172.9 | 48.5 | 0 | 0 | 0 | 0 | 114.3 | D256 S261 | D256-T259 PolarHBondContact O-OG1 3.26Å; T259-S261 PolarHBondContact O-N 3.4Å; T259-S261 VanDerWaalsContact O-N 3.15Å |
| 260 | Q | 43.5 | Very low | 51.6 | Low | 145 Ų | 145 | 136.6 Ų | 136.6 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | trans | -80.2 | 98.3 | -176.3 | -66.3 | -172.1 | 23.6 | 0 | 0 | 112.8 | D256 | D256-Q260 PolarHBondContact OD2-NE2 3.02Š| ||
| 261 | S | 50.6 | Low | 52.9 | Low | 117 Ų | 117 | 137.3 Ų | 137.3 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | -104.1 | 86.2 | 173.4 | 63.5 | 0 | 0 | 0 | 0 | 113.1 | T259 | T259-S261 PolarHBondContact O-N 3.4Å; T259-S261 VanDerWaalsContact O-N 3.15Å | ||
| 262 | D | 44.8 | Very low | 54.2 | Low | 127 Ų | 127 | 138.4 Ų | 138.4 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -160.9 | -176.1 | 132.3 | -151.3 | 1.5 | 0 | 0 | 0 | 111.7 | ||
| 263 | R | 47.4 | Very low | 55.5 | Low | 207 Ų | 207 | 138 Ų | 138 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | trans | -58.1 | 132.4 | -169.2 | -38.2 | 105.3 | -158 | -92.9 | -1.4 | 114.3 | ||||
| 264 | E | 43.3 | Very low | 56.3 | Low | 192 Ų | 192 | 143.5 Ų | 143.5 | 90% | 0.897 | 73% | 0.732 | S | S | * | * | -154.4 | 169.7 | 109.7 | -122.8 | -169.8 | 157.5 | 0 | 0 | 114.3 | R266 | E264-R266 PolarHBondContact O-N 3.13Š| |||
| 265 | V | 57 | Low | 57.3 | Low | 137 Ų | 137 | 143.7 Ų | 143.7 | 83% | 0.83 | 73% | 0.732 | S | S | * | * | trans | -96.8 | 85.8 | -161.3 | -173.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 266 | R | 52 | Low | 58.1 | Low | 226 Ų | 226 | 143.8 Ų | 143.8 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | trans | -83.7 | 123.6 | 165.4 | -145.2 | 174.2 | -167.6 | -173.9 | 4.6 | 110.6 | E264 K268 | E264-R266 PolarHBondContact O-N 3.13Å; R266-K268 PolarHBondContact O-N 3.46Å | ||
| 267 | P | 60 | Low | 58.7 | Low | 120 Ų | 120 | 145.9 Ų | 145.9 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | trans | -68.6 | 107.3 | -176.8 | 26.3 | -33.9 | 0 | 0 | 0 | 111.3 | ||||
| 268 | K | 62.4 | Low | 59 | Low | 177 Ų | 177 | 147.1 Ų | 147.1 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | -70.6 | 139.3 | -179.9 | -74.4 | 156.3 | -179 | 160 | 0 | 110.8 | R266 K270 | R266-K268 PolarHBondContact O-N 3.46Å; K268-K270 PolarHBondContact O-N 2.67Å | ||
| 269 | P | 62.8 | Low | 59.2 | Low | 101 Ų | 101 | 150 Ų | 150 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | trans | -63.5 | 127 | -177.1 | 24.8 | -33.8 | 0 | 0 | 0 | 111.4 | S271 | P269-S271 PolarHBondContact O-N 3.42Å; P269-S271 VanDerWaalsContact O-N 3.07Å | ||
| 270 | K | 65.1 | Low | 59.8 | Low | 217 Ų | 217 | 153.1 Ų | 153.1 | 94% | 0.943 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -7.2 | -174 | -67.3 | 179.6 | 178 | 175.7 | 0 | 114.8 | K268 | K268-K270 PolarHBondContact O-N 2.67Š|
| 271 | S | 73.3 | Confident | 60.5 | Low | 102 Ų | 102 | 150.5 Ų | 150.5 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -26 | -176.3 | 49.6 | 0 | 0 | 0 | 0 | 114.5 | P269 I273 | P269-S271 PolarHBondContact O-N 3.42Å; P269-S271 VanDerWaalsContact O-N 3.07Å; S271-I273 PolarHBondContact O-N 3.21Å; S271-I273 VanDerWaalsContact O-N 3.16Å |
| 272 | F | 74.4 | Confident | 61.1 | Low | 170 Ų | 170 | 151.8 Ų | 151.8 | 75% | 0.746 | 75% | 0.747 | S | S | * | * | trans | -90.8 | 83.5 | -172.7 | -140.8 | -82.8 | 0 | 0 | 0 | 112.3 | R274 | F272-R274 PolarHBondContact O-N 3.34Š| ||
| 273 | I | 78.9 | Confident | 62.5 | Low | 152 Ų | 152 | 153.8 Ų | 153.8 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | -63.8 | 98.5 | 169.5 | -56.9 | 176.6 | 0 | 0 | 0 | 108.2 | S271 | S271-I273 PolarHBondContact O-N 3.21Å; S271-I273 VanDerWaalsContact O-N 3.16Å | ||
| 274 | R | 69.5 | Low | 64 | Low | 196 Ų | 196 | 154.2 Ų | 154.2 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | trans | -62 | 133.9 | 167.2 | -63.7 | -173.5 | -177 | -149.6 | -3.2 | 107.9 | F272 V276 | F272-R274 PolarHBondContact O-N 3.34Å; R274-V276 PolarHBondContact O-N 3.2Å | ||
| 275 | P | 70.6 | Confident | 65.6 | Low | 93 Ų | 93 | 148.9 Ų | 148.9 | 60% | 0.604 | 74% | 0.735 | S | S | * | * | trans | -58.9 | 118.1 | 171.6 | 24.8 | -32.8 | 0 | 0 | 0 | 108.3 | M277 | P275-M277 VanDerWaalsContact C-N 3.25Å; P275-M277 HydrophobicContact CB-CE 4.42Å; P275-M277 HydrophobicContact CG-CE 4.11Å; P275-M277 PolarHBondContact O-N 3.4Å | ||
| 276 | V | 68.4 | Low | 67.2 | Low | 106 Ų | 106 | 145.7 Ų | 145.7 | 64% | 0.642 | 71% | 0.713 | S | S | * | * | trans | -69.3 | 92.6 | 172.1 | 178.8 | 0 | 0 | 0 | 0 | 106.6 | R274 F278 | R274-V276 PolarHBondContact O-N 3.2Å; V276-F278 VanDerWaalsContact C-N 3.33Å; V276-F278 HydrophobicContact CB-CE2 4.31Å; V276-F278 HydrophobicContact CG1-CD1 4.46Å; V276-F278 HydrophobicContact CG1-CD2 4.29Å; V276-F278 HydrophobicContact CG1-CE1 4.31Å; V276-F278 HydrophobicContact CG1-CE2 4.13Å; V276-F278 HydrophobicContact CG1-CG 4.45Å; V276-F278 HydrophobicContact CG1-CZ 4.15Å; V276-F278 VanDerWaalsContact O-CD2 3.23Å; V276-F278 WeakPolarHBondContact O-CD2 3.31Å; V276-F278 PolarHBondContact O-N 2.88Å | ||
| 277 | M | 58.5 | Low | 69.2 | Low | 138 Ų | 138 | 140.1 Ų | 140.1 | 68% | 0.68 | 71% | 0.706 | S | S | * | * | trans | -62.2 | 99.5 | 168.6 | -63.4 | -61.8 | -176.4 | 0 | 0 | 106.6 | P275 Q279 | P275-M277 VanDerWaalsContact C-N 3.25Å; P275-M277 HydrophobicContact CB-CE 4.42Å; P275-M277 HydrophobicContact CG-CE 4.11Å; P275-M277 PolarHBondContact O-N 3.4Å; M277-Q279 PolarHBondContact O-N 3.24Å | ||
| 278 | F | 55.6 | Low | 70.8 | Confident | 140 Ų | 140 | 138.5 Ų | 138.5 | 61% | 0.614 | 69% | 0.694 | S | S | * | * | trans | -68 | 87.1 | 176.8 | -76.8 | -85 | 0 | 0 | 0 | 108.9 | H70 V276 R280 | H70-F278 AromaticContact CD2-CE1 3.94Å; V276-F278 VanDerWaalsContact C-N 3.33Å; V276-F278 HydrophobicContact CB-CE2 4.31Å; V276-F278 HydrophobicContact CG1-CD1 4.46Å; V276-F278 HydrophobicContact CG1-CD2 4.29Å; V276-F278 HydrophobicContact CG1-CE1 4.31Å; V276-F278 HydrophobicContact CG1-CE2 4.13Å; V276-F278 HydrophobicContact CG1-CG 4.45Å; V276-F278 HydrophobicContact CG1-CZ 4.15Å; V276-F278 VanDerWaalsContact O-CD2 3.23Å; V276-F278 WeakPolarHBondContact O-CD2 3.31Å; V276-F278 PolarHBondContact O-N 2.88Å; F278-R280 PolarHBondContact O-N 2.98Å | ||
| 279 | Q | 55.9 | Low | 72.2 | Confident | 183 Ų | 183 | 133.8 Ų | 133.8 | 86% | 0.855 | 68% | 0.68 | S | S | * | * | trans | -68.6 | 20.3 | -179.2 | -69 | 179.1 | -2.2 | 0 | 0 | 114 | M277 A281 | M277-Q279 PolarHBondContact O-N 3.24Å; Q279-A281 PolarHBondContact O-N 2.77Å | ||
| 280 | R | 61.3 | Low | 73.6 | Confident | 169 Ų | 169 | 133.1 Ų | 133.1 | 64% | 0.638 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -60.9 | 98.6 | 150.7 | -96.3 | -173.7 | 172 | 161.6 | 1.1 | 105.9 | S72 F278 I282 | S72-R280 PolarHBondContact OG-NH1 3.16Å; S72-R280 PolarHBondContact OG-NH2 2.91Å; F278-R280 PolarHBondContact O-N 2.98Å; R280-I282 PolarHBondContact O-N 3.18Å |
| 281 | A | 59.7 | Low | 75 | Confident | 90 Ų | 90 | 129.5 Ų | 129.5 | 74% | 0.744 | 65% | 0.646 | S | S | * | * | trans | -46.7 | 104.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q279 K283 | Q279-A281 PolarHBondContact O-N 2.77Å; A281-K283 PolarHBondContact O-N 3.31Å | ||
| 282 | I | 62.9 | Low | 76 | Confident | 144 Ų | 144 | 130.4 Ų | 130.4 | 74% | 0.738 | 64% | 0.637 | S | S | * | * | trans | -69.6 | 93.5 | 178.4 | -58.6 | 178.1 | 0 | 0 | 0 | 105 | R280 K284 | R280-I282 PolarHBondContact O-N 3.18Å; I282-K284 PolarHBondContact O-N 3.04Å | ||
| 283 | K | 73.1 | Confident | 77 | Confident | 170 Ų | 170 | 126.5 Ų | 126.5 | 74% | 0.739 | 62% | 0.621 | S | S | * | * | trans | -48.9 | 131.8 | 175.8 | -66.3 | -172.2 | 177.5 | -172.8 | 0 | 107 | A281 N285 | A281-K283 PolarHBondContact O-N 3.31Å; K283-N285 PolarHBondContact O-N 3.01Å; K283-N285 PolarHBondContact O-OD1 3.12Å | ||
| 284 | K | 78.5 | Confident | 77.7 | Confident | 215 Ų | 215 | 125.2 Ų | 125.2 | 94% | 0.935 | 61% | 0.607 | S | S | * | * | trans | -70.1 | 69.9 | 179.7 | -67.1 | -178.8 | -179.9 | 177.9 | 0 | 109 | I282 | I282-K284 PolarHBondContact O-N 3.04Š| ||
| 285 | N | 78.6 | Confident | 78.9 | Confident | 80 Ų | 80 | 120.3 Ų | 120.3 | 43% | 0.428 | 59% | 0.591 | S | S | . | * | trans | -64.5 | 135.6 | 173.5 | -64.2 | -5.4 | 0 | 0 | 0 | 107.6 | K283 R290 | K283-N285 PolarHBondContact O-N 3.01Å; K283-N285 PolarHBondContact O-OD1 3.12Å; N285-R290 HydrophobicContact CB-CG 3.67Å | ||
| 286 | D | 89.6 | Confident | 80 | Confident | 71 Ų | 71 | 122.9 Ų | 122.9 | 38% | 0.38 | 60% | 0.596 | S | S | . | * | trans | -54.3 | 139.1 | -180 | 135.6 | 63.4 | 0 | 0 | 0 | 111.1 | V288 T289 R290 | D286-V288 PolarHBondContact O-N 3.37Å; D286-V288 WeakPolarHBondContact OD1-CB 3.14Å; D286-V288 PolarHBondContact OD1-N 3.26Å; D286-V288 PolarHBondContact OD2-N 2.8Å; D286-T289 PolarHBondContact O-N 3.38Å; D286-T289 VanDerWaalsContact OD2-CB 3.25Å; D286-T289 WeakPolarHBondContact OD2-CB 3.42Å; D286-T289 PolarHBondContact OD2-N 3.06Å; D286-T289 PolarHBondContact OD2-OG1 3.11Å; D286-R290 WeakPolarHBondContact O-CB 3.36Å; D286-R290 VanDerWaalsContact O-CG 3.27Å; D286-R290 WeakPolarHBondContact O-CG 3.24Å; D286-R290 PolarHBondContact O-N 2.83Å | ||
| 287 | P | 93.6 | Very high | 81.1 | Confident | 108 Ų | 108 | 122.1 Ų | 122.1 | 70% | 0.701 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -52.5 | -33.4 | 177.7 | -28.3 | 36.1 | 0 | 0 | 0 | 115 | Y291 | P287-Y291 WeakPolarHBondContact O-CB 3.37Å; P287-Y291 PolarHBondContact O-N 3.32Å |
| 288 | V | 93.3 | Very high | 82.6 | Confident | 86 Ų | 86 | 125.4 Ų | 125.4 | 52% | 0.521 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -73.1 | -46.9 | 179.9 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | D286 R290 Y291 F292 | D286-V288 PolarHBondContact O-N 3.37Å; D286-V288 WeakPolarHBondContact OD1-CB 3.14Å; D286-V288 PolarHBondContact OD1-N 3.26Å; D286-V288 PolarHBondContact OD2-N 2.8Å; V288-R290 VanDerWaalsContact C-N 3.28Å; V288-R290 PolarHBondContact O-N 2.94Å; V288-Y291 WeakPolarHBondContact O-CB 3.32Å; V288-Y291 PolarHBondContact O-N 3.12Å; V288-Y291 VanDerWaalsContact O-N 3.14Å; V288-F292 HydrophobicContact CG1-CD2 3.86Å; V288-F292 HydrophobicContact CG1-CE2 3.52Å; V288-F292 VanDerWaalsContact O-CD2 3.23Å; V288-F292 WeakPolarHBondContact O-CD2 3.37Å; V288-F292 PolarHBondContact O-N 3.05Å |
| 289 | T | 92.3 | Very high | 84 | Confident | 79 Ų | 79 | 122.7 Ų | 122.7 | 49% | 0.485 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -57.7 | -41.7 | 171.3 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | D286 F292 Q293 | D286-T289 PolarHBondContact O-N 3.38Å; D286-T289 VanDerWaalsContact OD2-CB 3.25Å; D286-T289 WeakPolarHBondContact OD2-CB 3.42Å; D286-T289 PolarHBondContact OD2-N 3.06Å; D286-T289 PolarHBondContact OD2-OG1 3.11Å; T289-F292 PolarHBondContact O-N 3.01Å; T289-Q293 WeakPolarHBondContact O-CB 3.09Å; T289-Q293 PolarHBondContact O-N 2.92Å |
| 290 | R | 92.1 | Very high | 85.5 | Confident | 86 Ų | 86 | 117.7 Ų | 117.7 | 33% | 0.325 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.7 | -40.1 | 175.1 | -72.8 | -90 | -80.2 | 144.8 | 4.3 | 112.1 | N285 D286 V288 Y294 | N285-R290 HydrophobicContact CB-CG 3.67Å; D286-R290 WeakPolarHBondContact O-CB 3.36Å; D286-R290 VanDerWaalsContact O-CG 3.27Å; D286-R290 WeakPolarHBondContact O-CG 3.24Å; D286-R290 PolarHBondContact O-N 2.83Å; V288-R290 VanDerWaalsContact C-N 3.28Å; V288-R290 PolarHBondContact O-N 2.94Å; R290-Y294 VanDerWaalsContact NH1-CE2 3.28Å; R290-Y294 PolarHBondContact NH1-OH 2.77Å; R290-Y294 PolarHBondContact NH2-OH 2.83Å; R290-Y294 WeakPolarHBondContact O-CB 3.23Å; R290-Y294 WeakPolarHBondContact O-CD2 3.17Å; R290-Y294 PolarHBondContact O-N 3.07Å |
| 291 | Y | 94.3 | Very high | 86.5 | Confident | 141 Ų | 141 | 117.5 Ų | 117.5 | 55% | 0.553 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.6 | -48.4 | 173.4 | 166.8 | -96.4 | 0 | 0 | 0 | 111.4 | P287 V288 Q293 Y294 K295 | P287-Y291 WeakPolarHBondContact O-CB 3.37Å; P287-Y291 PolarHBondContact O-N 3.32Å; V288-Y291 WeakPolarHBondContact O-CB 3.32Å; V288-Y291 PolarHBondContact O-N 3.12Å; V288-Y291 VanDerWaalsContact O-N 3.14Å; Y291-Q293 PolarHBondContact O-N 3.16Å; Y291-Y294 PolarHBondContact O-N 3.09Å; Y291-K295 HydrophobicContact CE1-CD 4.43Å; Y291-K295 WeakPolarHBondContact O-CB 3.37Å; Y291-K295 PolarHBondContact O-N 3.2Å |
| 292 | F | 96.1 | Very high | 87.5 | Confident | 121 Ų | 121 | 117.7 Ų | 117.7 | 53% | 0.531 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.2 | -41.4 | 178.8 | -74.5 | -61.7 | 0 | 0 | 0 | 112.7 | V288 T289 Y294 K295 E296 | V288-F292 HydrophobicContact CG1-CD2 3.86Å; V288-F292 HydrophobicContact CG1-CE2 3.52Å; V288-F292 VanDerWaalsContact O-CD2 3.23Å; V288-F292 WeakPolarHBondContact O-CD2 3.37Å; V288-F292 PolarHBondContact O-N 3.05Å; T289-F292 PolarHBondContact O-N 3.01Å; F292-Y294 PolarHBondContact O-N 3.38Å; F292-K295 PolarHBondContact O-N 3.19Å; F292-E296 PolarHBondContact O-N 3.3Å |
| 293 | Q | 93.9 | Very high | 88.2 | Confident | 88 Ų | 88 | 115.6 Ų | 115.6 | 41% | 0.411 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58.3 | -46.5 | 173.4 | -175.4 | -176.6 | 20.9 | 0 | 0 | 111.8 | T289 Y291 M297 | T289-Q293 WeakPolarHBondContact O-CB 3.09Å; T289-Q293 PolarHBondContact O-N 2.92Å; Y291-Q293 PolarHBondContact O-N 3.16Å; Q293-M297 HydrophobicContact CG-SD 4.44Å; Q293-M297 VanDerWaalsContact O-CG 3.32Å; Q293-M297 WeakPolarHBondContact O-CG 3.41Å; Q293-M297 PolarHBondContact O-N 2.86Å; Q293-M297 VanDerWaalsContact O-N 3.12Å |
| 294 | Y | 94.1 | Very high | 88.3 | Confident | 125 Ų | 125 | 113.5 Ų | 113.5 | 49% | 0.49 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.1 | -34.9 | 177.5 | -78.1 | -50.4 | 0 | 0 | 0 | 112.7 | R290 Y291 F292 M297 W298 | R290-Y294 VanDerWaalsContact NH1-CE2 3.28Å; R290-Y294 PolarHBondContact NH1-OH 2.77Å; R290-Y294 PolarHBondContact NH2-OH 2.83Å; R290-Y294 WeakPolarHBondContact O-CB 3.23Å; R290-Y294 WeakPolarHBondContact O-CD2 3.17Å; R290-Y294 PolarHBondContact O-N 3.07Å; Y291-Y294 PolarHBondContact O-N 3.09Å; F292-Y294 PolarHBondContact O-N 3.38Å; Y294-M297 HydrophobicContact CD1-SD 4.42Å; Y294-W298 VanDerWaalsContact O-CB 3.31Å; Y294-W298 WeakPolarHBondContact O-CB 3.44Å; Y294-W298 PolarHBondContact O-N 3.43Å |
| 295 | K | 94.3 | Very high | 88.2 | Confident | 93 Ų | 93 | 105.3 Ų | 105.3 | 40% | 0.404 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 174.8 | -172.1 | -169.2 | 172.3 | -163.3 | 0 | 111 | Y291 F292 M297 W298 D299 | Y291-K295 HydrophobicContact CE1-CD 4.43Å; Y291-K295 WeakPolarHBondContact O-CB 3.37Å; Y291-K295 PolarHBondContact O-N 3.2Å; F292-K295 PolarHBondContact O-N 3.19Å; K295-M297 VanDerWaalsContact C-N 3.34Å; K295-M297 PolarHBondContact O-N 2.89Å; K295-W298 PolarHBondContact O-N 2.91Å; K295-W298 VanDerWaalsContact O-N 3.13Å; K295-D299 WeakPolarHBondContact CE-OD2 3.32Å; K295-D299 WeakPolarHBondContact O-CB 3.43Å; K295-D299 PolarHBondContact O-N 3.2Å |
| 296 | E | 93.6 | Very high | 88.2 | Confident | 148 Ų | 148 | 104.1 Ų | 104.1 | 69% | 0.692 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -57.3 | -46 | 176.7 | -176.5 | -176.4 | -170 | 0 | 0 | 111.6 | F292 W298 A300 | F292-E296 PolarHBondContact O-N 3.3Å; E296-W298 PolarHBondContact O-N 2.85Å; E296-A300 WeakPolarHBondContact O-CB 3.42Å; E296-A300 PolarHBondContact O-N 3.33Å |
| 297 | M | 92.3 | Very high | 87.7 | Confident | 90 Ų | 90 | 104.9 Ų | 104.9 | 44% | 0.443 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 174.6 | -69.3 | 175.1 | 67.2 | 0 | 0 | 112 | Q293 Y294 K295 A300 F301 | Q293-M297 HydrophobicContact CG-SD 4.44Å; Q293-M297 VanDerWaalsContact O-CG 3.32Å; Q293-M297 WeakPolarHBondContact O-CG 3.41Å; Q293-M297 PolarHBondContact O-N 2.86Å; Q293-M297 VanDerWaalsContact O-N 3.12Å; Y294-M297 HydrophobicContact CD1-SD 4.42Å; K295-M297 VanDerWaalsContact C-N 3.34Å; K295-M297 PolarHBondContact O-N 2.89Å; M297-A300 PolarHBondContact O-N 3.07Å; M297-F301 WeakPolarHBondContact O-CD2 2.99Å; M297-F301 PolarHBondContact O-N 2.8Å; M297-F301 VanDerWaalsContact O-N 3.11Å |
| 298 | W | 88.9 | Confident | 87 | Confident | 207 Ų | 207 | 104.9 Ų | 104.9 | 78% | 0.784 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.7 | -39.2 | -178.4 | -163.1 | -84.4 | 0 | 0 | 0 | 112.8 | Y294 K295 E296 A300 F301 | Y294-W298 VanDerWaalsContact O-CB 3.31Å; Y294-W298 WeakPolarHBondContact O-CB 3.44Å; Y294-W298 PolarHBondContact O-N 3.43Å; K295-W298 PolarHBondContact O-N 2.91Å; K295-W298 VanDerWaalsContact O-N 3.13Å; E296-W298 PolarHBondContact O-N 2.85Å; W298-A300 PolarHBondContact O-N 3.15Å; W298-F301 PolarHBondContact O-N 3.26Å |
| 299 | D | 86 | Confident | 86.6 | Confident | 83 Ų | 83 | 108.7 Ų | 108.7 | 44% | 0.444 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.8 | -22.6 | 175.7 | -73.4 | -18.3 | 0 | 0 | 0 | 112 | K295 Q302 | K295-D299 WeakPolarHBondContact CE-OD2 3.32Å; K295-D299 WeakPolarHBondContact O-CB 3.43Å; K295-D299 PolarHBondContact O-N 3.2Å; D299-Q302 WeakPolarHBondContact O-CG 3.41Å; D299-Q302 PolarHBondContact O-NE2 2.94Å |
| 300 | A | 86.5 | Confident | 86.3 | Confident | 77 Ų | 77 | 109.1 Ų | 109.1 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -80 | -36.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E296 M297 W298 Q302 | E296-A300 WeakPolarHBondContact O-CB 3.42Å; E296-A300 PolarHBondContact O-N 3.33Å; M297-A300 PolarHBondContact O-N 3.07Å; W298-A300 PolarHBondContact O-N 3.15Å; A300-Q302 PolarHBondContact O-N 3.18Å |
| 301 | F | 82.4 | Confident | 86.2 | Confident | 166 Ų | 166 | 108 Ų | 108 | 73% | 0.728 | 54% | 0.541 | S | S | * | . | trans | -80.7 | 57.7 | 178.2 | -73.3 | -60.7 | 0 | 0 | 0 | 113.2 | M297 W298 | M297-F301 WeakPolarHBondContact O-CD2 2.99Å; M297-F301 PolarHBondContact O-N 2.8Å; M297-F301 VanDerWaalsContact O-N 3.11Å; W298-F301 PolarHBondContact O-N 3.26Å | ||
| 302 | Q | 81 | Confident | 86.1 | Confident | 94 Ų | 94 | 105.5 Ų | 105.5 | 44% | 0.439 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 127.4 | 176.1 | -53.2 | -172.5 | 12.3 | 0 | 0 | 110.8 | D299 A300 N307 | D299-Q302 WeakPolarHBondContact O-CG 3.41Å; D299-Q302 PolarHBondContact O-NE2 2.94Å; A300-Q302 PolarHBondContact O-N 3.18Å; Q302-N307 PolarHBondContact OE1-ND2 2.86Å; Q302-N307 PolarHBondContact OE1-OD1 2.88Å |
| 303 | V | 77.6 | Confident | 86 | Confident | 100 Ų | 100 | 108.6 Ų | 108.6 | 61% | 0.606 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -63 | 133.1 | 176.6 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | G305 D306 | V303-G305 PolarHBondContact O-N 3.29Å; V303-D306 HydrophobicContact CB-CB 4.41Å; V303-D306 VanDerWaalsContact O-CB 3.24Å; V303-D306 WeakPolarHBondContact O-CB 3.49Å; V303-D306 PolarHBondContact O-N 2.91Å |
| 304 | P | 74.9 | Confident | 85.9 | Confident | 126 Ų | 126 | 112.4 Ų | 112.4 | 82% | 0.818 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | 124.7 | 177.9 | -30.4 | 36.6 | 0 | 0 | 0 | 112.8 | ||
| 305 | G | 76.2 | Confident | 85.9 | Confident | 42 Ų | 42 | 110.4 Ų | 110.4 | 43% | 0.433 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 87.7 | -3.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | V303 N307 V308 R309 | V303-G305 PolarHBondContact O-N 3.29Å; G305-N307 VanDerWaalsContact C-N 3.31Å; G305-N307 PolarHBondContact O-N 3.07Å; G305-V308 PolarHBondContact O-N 3Å; G305-R309 PolarHBondContact O-N 3.01Å; G305-R309 VanDerWaalsContact O-N 3.16Å |
| 306 | D | 80.3 | Confident | 85.8 | Confident | 55 Ų | 55 | 109.9 Ų | 109.9 | 29% | 0.294 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.9 | -32.7 | -177.9 | -166.2 | 55.2 | 0 | 0 | 0 | 113 | V303 R309 K310 | V303-D306 HydrophobicContact CB-CB 4.41Å; V303-D306 VanDerWaalsContact O-CB 3.24Å; V303-D306 WeakPolarHBondContact O-CB 3.49Å; V303-D306 PolarHBondContact O-N 2.91Å; D306-R309 WeakPolarHBondContact O-CB 3.35Å; D306-R309 PolarHBondContact O-N 3.36Å; D306-K310 WeakPolarHBondContact O-CG 3.5Å; D306-K310 PolarHBondContact O-N 2.67Å; D306-K310 WeakPolarHBondContact OD2-CE 3.48Å; D306-K310 IonicContact OD2-NZ 2.72Å; D306-K310 PolarHBondContact OD2-NZ 3.27Å |
| 307 | N | 78.4 | Confident | 85.8 | Confident | 87 Ų | 87 | 108.5 Ų | 108.5 | 47% | 0.465 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68 | -35.1 | 175 | -66.9 | -27.3 | 0 | 0 | 0 | 113.3 | Q302 G305 R309 K310 A311 | Q302-N307 PolarHBondContact OE1-ND2 2.86Å; Q302-N307 PolarHBondContact OE1-OD1 2.88Å; G305-N307 VanDerWaalsContact C-N 3.31Å; G305-N307 PolarHBondContact O-N 3.07Å; N307-R309 VanDerWaalsContact C-N 3.32Å; N307-K310 PolarHBondContact O-N 3.25Å; N307-A311 PolarHBondContact O-N 3.48Å |
| 308 | V | 78.6 | Confident | 85.8 | Confident | 108 Ų | 108 | 109.1 Ų | 109.1 | 66% | 0.655 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.9 | -40.9 | 172.6 | -177.1 | 0 | 0 | 0 | 0 | 110 | G305 A311 L312 | G305-V308 PolarHBondContact O-N 3Å; V308-A311 PolarHBondContact O-N 2.95Å; V308-L312 WeakPolarHBondContact O-CB 3.45Å; V308-L312 PolarHBondContact O-N 3.3Å |
| 309 | R | 84.4 | Confident | 85.8 | Confident | 166 Ų | 166 | 105.5 Ų | 105.5 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.5 | -37 | 175.2 | -68.5 | 175 | 171.8 | -177.5 | -2.1 | 112.6 | G305 D306 N307 R313 | G305-R309 PolarHBondContact O-N 3.01Å; G305-R309 VanDerWaalsContact O-N 3.16Å; D306-R309 WeakPolarHBondContact O-CB 3.35Å; D306-R309 PolarHBondContact O-N 3.36Å; N307-R309 VanDerWaalsContact C-N 3.32Å; R309-R313 WeakPolarHBondContact O-CB 3.33Å; R309-R313 WeakPolarHBondContact O-CD 3.03Å; R309-R313 WeakPolarHBondContact O-CG 3.04Å; R309-R313 PolarHBondContact O-N 2.91Å |
| 310 | K | 87.4 | Confident | 85.8 | Confident | 89 Ų | 89 | 108 Ų | 108 | 39% | 0.387 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.7 | -49.3 | 173 | -76.4 | 157.9 | 170 | 154.4 | 0 | 111.1 | D306 N307 R313 W314 | D306-K310 WeakPolarHBondContact O-CG 3.5Å; D306-K310 PolarHBondContact O-N 2.67Å; D306-K310 WeakPolarHBondContact OD2-CE 3.48Å; D306-K310 IonicContact OD2-NZ 2.72Å; D306-K310 PolarHBondContact OD2-NZ 3.27Å; N307-K310 PolarHBondContact O-N 3.25Å; K310-R313 PolarHBondContact O-N 3.48Å; K310-W314 PolarHBondContact O-N 3.28Å |
| 311 | A | 88.8 | Confident | 85.5 | Confident | 62 Ų | 62 | 108.5 Ų | 108.5 | 51% | 0.512 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -57.8 | -50.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N307 V308 R313 W314 E315 | N307-A311 PolarHBondContact O-N 3.48Å; V308-A311 PolarHBondContact O-N 2.95Å; A311-R313 VanDerWaalsContact C-N 3.31Å; A311-R313 PolarHBondContact O-N 3.07Å; A311-W314 PolarHBondContact O-N 2.99Å; A311-E315 PolarHBondContact O-N 3.14Å |
| 312 | L | 92.5 | Very high | 85.3 | Confident | 88 Ų | 88 | 108.6 Ų | 108.6 | 46% | 0.461 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.2 | -38.2 | 176.7 | 179.5 | 62.9 | 0 | 0 | 0 | 112.8 | V308 W314 E315 I316 | V308-L312 WeakPolarHBondContact O-CB 3.45Å; V308-L312 PolarHBondContact O-N 3.3Å; L312-W314 VanDerWaalsContact C-N 3.35Å; L312-E315 PolarHBondContact O-N 3.25Å; L312-I316 HydrophobicContact CD1-CD1 3.9Å; L312-I316 HydrophobicContact CD1-CG1 4.19Å; L312-I316 HydrophobicContact CG-CD1 3.85Å; L312-I316 WeakPolarHBondContact O-CB 3.31Å; L312-I316 VanDerWaalsContact O-CG1 3.24Å; L312-I316 WeakPolarHBondContact O-CG1 3.5Å; L312-I316 PolarHBondContact O-N 3.07Å |
| 313 | R | 93.6 | Very high | 84.8 | Confident | 187 Ų | 187 | 111.5 Ų | 111.5 | 71% | 0.706 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.5 | -36.3 | 174.9 | -76.7 | 170 | -176.5 | -80.4 | 5.1 | 112.4 | R309 K310 A311 K317 | R309-R313 WeakPolarHBondContact O-CB 3.33Å; R309-R313 WeakPolarHBondContact O-CD 3.03Å; R309-R313 WeakPolarHBondContact O-CG 3.04Å; R309-R313 PolarHBondContact O-N 2.91Å; K310-R313 PolarHBondContact O-N 3.48Å; A311-R313 VanDerWaalsContact C-N 3.31Å; A311-R313 PolarHBondContact O-N 3.07Å; R313-K317 VanDerWaalsContact O-CB 3.25Å; R313-K317 WeakPolarHBondContact O-CB 3.43Å; R313-K317 PolarHBondContact O-N 3.21Å |
| 314 | W | 92.3 | Very high | 84.4 | Confident | 168 Ų | 168 | 111.8 Ų | 111.8 | 64% | 0.636 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.8 | -44.8 | 174.5 | -77.5 | 111.3 | 0 | 0 | 0 | 111.8 | K310 A311 L312 I316 K317 E318 | K310-W314 PolarHBondContact O-N 3.28Å; A311-W314 PolarHBondContact O-N 2.99Å; L312-W314 VanDerWaalsContact C-N 3.35Å; W314-I316 PolarHBondContact O-N 3.21Å; W314-K317 HydrophobicContact CE3-CD 3.97Å; W314-K317 HydrophobicContact CZ3-CD 3.93Å; W314-K317 VanDerWaalsContact CZ3-NZ 3.3Å; W314-K317 WeakPolarHBondContact O-CB 3.47Å; W314-K317 PolarHBondContact O-N 2.86Å; W314-E318 WeakPolarHBondContact O-CB 3.32Å; W314-E318 PolarHBondContact O-N 3.03Å |
| 315 | E | 94 | Very high | 84.3 | Confident | 82 Ų | 82 | 113.5 Ų | 113.5 | 38% | 0.383 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.1 | -43.1 | 175.6 | -170.8 | -161.8 | 158.7 | 0 | 0 | 112.2 | A311 L312 E318 K319 | A311-E315 PolarHBondContact O-N 3.14Å; L312-E315 PolarHBondContact O-N 3.25Å; E315-E318 PolarHBondContact O-N 2.83Å; E315-K319 HydrophobicContact CG-CD 4.33Å; E315-K319 WeakPolarHBondContact O-CB 3.29Å; E315-K319 WeakPolarHBondContact O-CG 3.46Å; E315-K319 PolarHBondContact O-N 3.32Å; E315-K319 WeakPolarHBondContact OE1-CE 3.34Å; E315-K319 IonicContact OE1-NZ 3.29Å; E315-K319 PolarHBondContact OE1-NZ 3.32Å |
| 316 | I | 92.5 | Very high | 84.2 | Confident | 83 Ų | 83 | 116.5 Ų | 116.5 | 43% | 0.426 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.5 | -42.4 | 174.9 | -70.1 | 168.2 | 0 | 0 | 0 | 110.7 | L312 W314 E318 K319 L320 | L312-I316 HydrophobicContact CD1-CD1 3.9Å; L312-I316 HydrophobicContact CD1-CG1 4.19Å; L312-I316 HydrophobicContact CG-CD1 3.85Å; L312-I316 WeakPolarHBondContact O-CB 3.31Å; L312-I316 VanDerWaalsContact O-CG1 3.24Å; L312-I316 WeakPolarHBondContact O-CG1 3.5Å; L312-I316 PolarHBondContact O-N 3.07Å; W314-I316 PolarHBondContact O-N 3.21Å; I316-E318 VanDerWaalsContact C-N 3.34Å; I316-E318 PolarHBondContact O-N 2.99Å; I316-K319 PolarHBondContact O-N 3.36Å; I316-L320 HydrophobicContact CG2-CD1 3.84Å; I316-L320 HydrophobicContact CG2-CG 4.38Å; I316-L320 WeakPolarHBondContact O-CB 3.49Å; I316-L320 VanDerWaalsContact O-CG 3.27Å; I316-L320 WeakPolarHBondContact O-CG 3.24Å; I316-L320 PolarHBondContact O-N 2.99Å |
| 317 | K | 92.9 | Very high | 83.9 | Confident | 119 Ų | 119 | 122.6 Ų | 122.6 | 52% | 0.517 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.5 | -41.3 | 176.7 | 175.5 | -179.2 | 169.2 | -176 | 0 | 111.6 | R313 W314 L320 S321 | R313-K317 VanDerWaalsContact O-CB 3.25Å; R313-K317 WeakPolarHBondContact O-CB 3.43Å; R313-K317 PolarHBondContact O-N 3.21Å; W314-K317 HydrophobicContact CE3-CD 3.97Å; W314-K317 HydrophobicContact CZ3-CD 3.93Å; W314-K317 VanDerWaalsContact CZ3-NZ 3.3Å; W314-K317 WeakPolarHBondContact O-CB 3.47Å; W314-K317 PolarHBondContact O-N 2.86Å; K317-L320 PolarHBondContact O-N 3.35Å; K317-S321 WeakPolarHBondContact O-CB 3.47Å; K317-S321 PolarHBondContact O-N 3.07Å |
| 318 | E | 92.4 | Very high | 83.9 | Confident | 103 Ų | 103 | 124.5 Ų | 124.5 | 48% | 0.481 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -60.8 | -53.6 | 174.3 | 176.7 | 174.8 | -149.5 | 0 | 0 | 110.8 | W314 E315 I316 L320 S321 Y322 | W314-E318 WeakPolarHBondContact O-CB 3.32Å; W314-E318 PolarHBondContact O-N 3.03Å; E315-E318 PolarHBondContact O-N 2.83Å; I316-E318 VanDerWaalsContact C-N 3.34Å; I316-E318 PolarHBondContact O-N 2.99Å; E318-L320 PolarHBondContact O-N 3.16Å; E318-S321 WeakPolarHBondContact CA-OG 3.48Å; E318-S321 WeakPolarHBondContact O-CA 3.47Å; E318-S321 PolarHBondContact O-N 3.33Å; E318-S321 PolarHBondContact O-OG 2.89Å; E318-Y322 HydrophobicContact CG-CD2 4.04Å; E318-Y322 HydrophobicContact CG-CE2 3.67Å; E318-Y322 VanDerWaalsContact O-CD2 3.29Å; E318-Y322 WeakPolarHBondContact O-CD2 3.18Å; E318-Y322 PolarHBondContact O-N 3.48Å |
| 319 | K | 89.1 | Confident | 83.8 | Confident | 131 Ų | 131 | 130.4 Ų | 130.4 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -59.1 | -30.4 | 177.1 | -73.1 | 173.2 | 177.2 | 177.5 | 0 | 113.8 | E315 I316 | E315-K319 HydrophobicContact CG-CD 4.33Å; E315-K319 WeakPolarHBondContact O-CB 3.29Å; E315-K319 WeakPolarHBondContact O-CG 3.46Å; E315-K319 PolarHBondContact O-N 3.32Å; E315-K319 WeakPolarHBondContact OE1-CE 3.34Å; E315-K319 IonicContact OE1-NZ 3.29Å; E315-K319 PolarHBondContact OE1-NZ 3.32Å; I316-K319 PolarHBondContact O-N 3.36Å |
| 320 | L | 85.3 | Confident | 83.5 | Confident | 134 Ų | 134 | 134.3 Ų | 134.3 | 70% | 0.702 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -80.8 | -26.9 | 172.6 | -70.3 | 172.8 | 0 | 0 | 0 | 113.4 | I316 K317 E318 Y322 | I316-L320 HydrophobicContact CG2-CD1 3.84Å; I316-L320 HydrophobicContact CG2-CG 4.38Å; I316-L320 WeakPolarHBondContact O-CB 3.49Å; I316-L320 VanDerWaalsContact O-CG 3.27Å; I316-L320 WeakPolarHBondContact O-CG 3.24Å; I316-L320 PolarHBondContact O-N 2.99Å; K317-L320 PolarHBondContact O-N 3.35Å; E318-L320 PolarHBondContact O-N 3.16Å; L320-Y322 VanDerWaalsContact C-N 3.34Å |
| 321 | S | 81 | Confident | 83.2 | Confident | 88 Ų | 88 | 136.3 Ų | 136.3 | 62% | 0.615 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -74.5 | -25.3 | 174.3 | 73.6 | 0 | 0 | 0 | 0 | 112.8 | K317 E318 Q323 | K317-S321 WeakPolarHBondContact O-CB 3.47Å; K317-S321 PolarHBondContact O-N 3.07Å; E318-S321 WeakPolarHBondContact CA-OG 3.48Å; E318-S321 WeakPolarHBondContact O-CA 3.47Å; E318-S321 PolarHBondContact O-N 3.33Å; E318-S321 PolarHBondContact O-OG 2.89Å; S321-Q323 PolarHBondContact O-N 2.88Å |
| 322 | Y | 77.4 | Confident | 82.9 | Confident | 168 Ų | 168 | 142.3 Ų | 142.3 | 66% | 0.659 | 67% | 0.67 | S | S | * | * | trans | -71.6 | 61.2 | 164.7 | -74.6 | -67.3 | 0 | 0 | 0 | 111.6 | E318 L320 P324 | E318-Y322 HydrophobicContact CG-CD2 4.04Å; E318-Y322 HydrophobicContact CG-CE2 3.67Å; E318-Y322 VanDerWaalsContact O-CD2 3.29Å; E318-Y322 WeakPolarHBondContact O-CD2 3.18Å; E318-Y322 PolarHBondContact O-N 3.48Å; L320-Y322 VanDerWaalsContact C-N 3.34Å; Y322-P324 VanDerWaalsContact O-CD 3.24Å; Y322-P324 WeakPolarHBondContact O-CD 3.26Å | ||
| 323 | Q | 70.9 | Confident | 82.6 | Confident | 156 Ų | 156 | 143.9 Ų | 143.9 | 73% | 0.729 | 68% | 0.683 | S | S | * | * | trans | -69.8 | 114.5 | 168.5 | -177.8 | 171.3 | -4.4 | 0 | 0 | 108.8 | S321 | S321-Q323 PolarHBondContact O-N 2.88Š| ||
| 324 | P | 69.8 | Low | 82.3 | Confident | 106 Ų | 106 | 139 Ų | 139 | 69% | 0.688 | 68% | 0.676 | S | S | * | * | trans | -63.3 | 146.7 | 175.2 | 27.4 | -34.4 | 0 | 0 | 0 | 109.9 | Y322 | Y322-P324 VanDerWaalsContact O-CD 3.24Å; Y322-P324 WeakPolarHBondContact O-CD 3.26Å | ||
| 325 | L | 73.4 | Confident | 81.9 | Confident | 161 Ų | 161 | 137.3 Ų | 137.3 | 84% | 0.843 | 68% | 0.679 | S | S | * | * | trans | -42.7 | 131.5 | -179.6 | -78.7 | 153.8 | 0 | 0 | 0 | 111.2 | K327 | L325-K327 PolarHBondContact O-N 3.14Š| ||
| 326 | P | 73.8 | Confident | 81.3 | Confident | 105 Ų | 105 | 139.8 Ų | 139.8 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | trans | -59.9 | 114.8 | -169.6 | 23.2 | -33.5 | 0 | 0 | 0 | 110.2 | ||||
| 327 | K | 74.3 | Confident | 80.7 | Confident | 183 Ų | 183 | 142.7 Ų | 142.7 | 80% | 0.796 | 71% | 0.706 | S | S | * | * | trans | -48.8 | 134 | 179.9 | -67.5 | -177.9 | 178.3 | -179.6 | 0 | 109.6 | L325 R329 | L325-K327 PolarHBondContact O-N 3.14Å; K327-R329 PolarHBondContact O-N 2.92Å | ||
| 328 | P | 77.7 | Confident | 79.7 | Confident | 127 Ų | 127 | 142.9 Ų | 142.9 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | trans | -55.8 | 115.1 | -175.9 | 21.7 | -32.9 | 0 | 0 | 0 | 109.5 | R330 | P328-R330 PolarHBondContact O-N 3.12Š| ||
| 329 | R | 76.8 | Confident | 78.9 | Confident | 233 Ų | 233 | 143.1 Ų | 143.1 | 88% | 0.879 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 128.7 | -178.3 | -65.9 | -174.9 | 178.9 | -165.6 | 0.2 | 108 | K327 V331 | K327-R329 PolarHBondContact O-N 2.92Å; R329-V331 PolarHBondContact O-N 3.31Å; R329-V331 VanDerWaalsContact O-N 3.13Å |
| 330 | R | 77.9 | Confident | 77.9 | Confident | 248 Ų | 248 | 139.8 Ų | 139.8 | 94% | 0.936 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 120.8 | 171.6 | -80 | -176.9 | 163.3 | -175.6 | -6.5 | 108.5 | P328 Y332 | P328-R330 PolarHBondContact O-N 3.12Å; R330-Y332 PolarHBondContact O-N 3.38Å |
| 331 | V | 81 | Confident | 77 | Confident | 131 Ų | 131 | 138 Ų | 138 | 79% | 0.794 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 135.2 | 174.9 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | R329 V333 | R329-V331 PolarHBondContact O-N 3.31Å; R329-V331 VanDerWaalsContact O-N 3.13Å; V331-V333 PolarHBondContact O-N 3.02Å |
| 332 | Y | 83.4 | Confident | 76.1 | Confident | 187 Ų | 187 | 139.6 Ų | 139.6 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | trans | -68.7 | 113.8 | 177.4 | 177.1 | -98.6 | 0 | 0 | 0 | 109.6 | R330 P334 | R330-Y332 PolarHBondContact O-N 3.38Å; Y332-P334 HydrophobicContact CD1-CG 4.17Å; Y332-P334 HydrophobicContact CE1-CB 4.08Å; Y332-P334 HydrophobicContact CE1-CG 3.89Å | ||
| 333 | V | 85.6 | Confident | 75.3 | Confident | 121 Ų | 121 | 139.5 Ų | 139.5 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | trans | -93.5 | 115.8 | 170 | -179 | 0 | 0 | 0 | 0 | 107.4 | V331 | V331-V333 PolarHBondContact O-N 3.02Š| ||
| 334 | P | 86.5 | Confident | 75.2 | Confident | 86 Ų | 86 | 139.7 Ų | 139.7 | 56% | 0.558 | 71% | 0.711 | S | S | * | * | trans | -60.5 | 144.5 | 176.6 | -22.1 | 33.1 | 0 | 0 | 0 | 111.8 | Y332 T336 | Y332-P334 HydrophobicContact CD1-CG 4.17Å; Y332-P334 HydrophobicContact CE1-CB 4.08Å; Y332-P334 HydrophobicContact CE1-CG 3.89Å; P334-T336 PolarHBondContact O-N 2.96Å | ||
| 335 | N | 84.3 | Confident | 75.3 | Confident | 132 Ų | 132 | 140.9 Ų | 140.9 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | trans | -73.2 | 117.7 | 177.8 | -177.9 | 3.8 | 0 | 0 | 0 | 110.8 | Y337 | N335-Y337 PolarHBondContact O-N 3.49Å; N335-Y337 VanDerWaalsContact O-N 3.1Å; N335-Y337 VanDerWaalsContact OD1-CB 3.27Å; N335-Y337 WeakPolarHBondContact OD1-CB 3.41Å; N335-Y337 PolarHBondContact OD1-N 3.36Å | ||
| 336 | T | 81.7 | Confident | 75.5 | Confident | 134 Ų | 134 | 136 Ų | 136 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | trans | -70.2 | 2.6 | 178 | -24 | 0 | 0 | 0 | 0 | 114.3 | P334 T338 | P334-T336 PolarHBondContact O-N 2.96Å; T336-T338 PolarHBondContact O-N 2.93Å | ||
| 337 | Y | 80.7 | Confident | 75.9 | Confident | 143 Ų | 143 | 137.1 Ų | 137.1 | 56% | 0.561 | 68% | 0.678 | S | S | * | * | trans | -63.6 | 98.1 | 178.7 | -174.3 | -100.7 | 0 | 0 | 0 | 112.2 | N335 V339 P340 | N335-Y337 PolarHBondContact O-N 3.49Å; N335-Y337 VanDerWaalsContact O-N 3.1Å; N335-Y337 VanDerWaalsContact OD1-CB 3.27Å; N335-Y337 WeakPolarHBondContact OD1-CB 3.41Å; N335-Y337 PolarHBondContact OD1-N 3.36Å; Y337-V339 HydrophobicContact CD1-CG2 4.13Å; Y337-V339 HydrophobicContact CE1-CB 4.37Å; Y337-V339 HydrophobicContact CE1-CG2 3.98Å; Y337-V339 PolarHBondContact O-N 3.34Å; Y337-P340 WeakPolarHBondContact OH-CD 3.48Å | ||
| 338 | T | 71.8 | Confident | 76.3 | Confident | 123 Ų | 123 | 133.6 Ų | 133.6 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | trans | -72.5 | 110.8 | 165.3 | 46.7 | 0 | 0 | 0 | 0 | 108.7 | T336 P340 | T336-T338 PolarHBondContact O-N 2.93Å; T338-P340 VanDerWaalsContact O-CD 3.24Å; T338-P340 WeakPolarHBondContact O-CD 3.15Å; T338-P340 VanDerWaalsContact O-N 3.11Å | ||
| 339 | V | 74.2 | Confident | 76.9 | Confident | 109 Ų | 109 | 134.4 Ų | 134.4 | 66% | 0.661 | 65% | 0.653 | S | S | * | * | trans | -54.9 | 118.5 | 173.9 | 180 | 0 | 0 | 0 | 0 | 108.2 | Y337 T341 | Y337-V339 HydrophobicContact CD1-CG2 4.13Å; Y337-V339 HydrophobicContact CE1-CB 4.37Å; Y337-V339 HydrophobicContact CE1-CG2 3.98Å; Y337-V339 PolarHBondContact O-N 3.34Å; V339-T341 PolarHBondContact O-N 2.89Å | ||
| 340 | P | 68.6 | Low | 77.2 | Confident | 61 Ų | 61 | 130.7 Ų | 130.7 | 40% | 0.396 | 64% | 0.639 | S | S | . | * | trans | -59.8 | 108.6 | -176.2 | -26.7 | 35.5 | 0 | 0 | 0 | 109.9 | Y337 T338 Q342 | Y337-P340 WeakPolarHBondContact OH-CD 3.48Å; T338-P340 VanDerWaalsContact O-CD 3.24Å; T338-P340 WeakPolarHBondContact O-CD 3.15Å; T338-P340 VanDerWaalsContact O-N 3.11Å; P340-Q342 PolarHBondContact O-N 3.09Å | ||
| 341 | T | 66.2 | Low | 77.7 | Confident | 95 Ų | 95 | 121.7 Ų | 121.7 | 58% | 0.583 | 61% | 0.612 | S | S | * | * | trans | -57.7 | 136.9 | -167.6 | 58.6 | 0 | 0 | 0 | 0 | 110.2 | V339 K343 K344 | V339-T341 PolarHBondContact O-N 2.89Å; T341-K343 PolarHBondContact O-N 2.97Å; T341-K344 PolarHBondContact O-N 2.88Å | ||
| 342 | Q | 61.7 | Low | 78 | Confident | 122 Ų | 122 | 119.4 Ų | 119.4 | 57% | 0.57 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -53.2 | -26.8 | -172.9 | -167.9 | 76 | -54.5 | 0 | 0 | 112 | P340 K344 R345 S346 | P340-Q342 PolarHBondContact O-N 3.09Å; Q342-K344 PolarHBondContact O-N 3.42Å; Q342-R345 CarbonylContact O-C 3.39Å; Q342-R345 WeakPolarHBondContact O-CA 3.49Å; Q342-R345 PolarHBondContact O-N 2.93Å; Q342-S346 PolarHBondContact O-N 3.36Å; Q342-S346 PolarHBondContact O-OG 3.23Å |
| 343 | K | 61.9 | Low | 78.4 | Confident | 166 Ų | 166 | 117.9 Ų | 117.9 | 72% | 0.722 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -48.6 | -48.7 | 173.1 | -158.2 | 174 | -174.9 | -178.8 | 0 | 113.7 | T341 R345 S346 E347 | T341-K343 PolarHBondContact O-N 2.97Å; K343-R345 VanDerWaalsContact C-N 3.32Å; K343-R345 PolarHBondContact O-N 3.06Å; K343-S346 VanDerWaalsContact CA-OG 3.27Å; K343-S346 WeakPolarHBondContact CA-OG 3.31Å; K343-S346 PolarHBondContact O-N 3.12Å; K343-S346 PolarHBondContact O-OG 3.25Å; K343-E347 WeakPolarHBondContact O-CB 3.23Å; K343-E347 PolarHBondContact O-N 2.94Å |
| 344 | K | 69.2 | Low | 78.6 | Confident | 160 Ų | 160 | 115.4 Ų | 115.4 | 70% | 0.696 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.6 | -29 | 178 | -72.8 | -160.1 | 173.3 | -167.7 | 0 | 112.9 | T341 Q342 L348 | T341-K344 PolarHBondContact O-N 2.88Å; Q342-K344 PolarHBondContact O-N 3.42Å; K344-L348 PolarHBondContact O-N 2.97Å |
| 345 | R | 70.7 | Confident | 78.7 | Confident | 132 Ų | 132 | 114 Ų | 114 | 50% | 0.498 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -78 | -34.5 | 172.9 | -62.6 | -169.3 | -170 | -141.6 | 5.6 | 112.3 | Q342 K343 R349 | Q342-R345 CarbonylContact O-C 3.39Å; Q342-R345 WeakPolarHBondContact O-CA 3.49Å; Q342-R345 PolarHBondContact O-N 2.93Å; K343-R345 VanDerWaalsContact C-N 3.32Å; K343-R345 PolarHBondContact O-N 3.06Å; R345-R349 WeakPolarHBondContact O-CB 3.38Å; R345-R349 WeakPolarHBondContact O-CD 3.36Å; R345-R349 WeakPolarHBondContact O-CG 3.1Å; R345-R349 PolarHBondContact O-N 3.43Å |
| 346 | S | 78.3 | Confident | 78.9 | Confident | 57 Ų | 57 | 112.2 Ų | 112.2 | 40% | 0.399 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.4 | -34.9 | 177.9 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | Q342 K343 W350 | Q342-S346 PolarHBondContact O-N 3.36Å; Q342-S346 PolarHBondContact O-OG 3.23Å; K343-S346 VanDerWaalsContact CA-OG 3.27Å; K343-S346 WeakPolarHBondContact CA-OG 3.31Å; K343-S346 PolarHBondContact O-N 3.12Å; K343-S346 PolarHBondContact O-OG 3.25Å; S346-W350 WeakPolarHBondContact O-CB 3.48Å; S346-W350 PolarHBondContact O-N 3.12Å |
| 347 | E | 81.6 | Confident | 79.1 | Confident | 130 Ų | 130 | 109.7 Ų | 109.7 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.7 | -59.2 | 171.9 | -175.6 | 173.8 | -167.5 | 0 | 0 | 110.5 | K343 R349 W350 T351 | K343-E347 WeakPolarHBondContact O-CB 3.23Å; K343-E347 PolarHBondContact O-N 2.94Å; E347-R349 VanDerWaalsContact C-N 3.3Å; E347-R349 PolarHBondContact O-N 3.37Å; E347-W350 WeakPolarHBondContact O-CA 3.41Å; E347-W350 WeakPolarHBondContact O-CB 3.39Å; E347-W350 PolarHBondContact O-N 3.18Å; E347-T351 PolarHBondContact O-N 3.39Å; E347-T351 PolarHBondContact O-OG1 3.49Å |
| 348 | L | 83.1 | Confident | 79.4 | Confident | 108 Ų | 108 | 107.4 Ų | 107.4 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -54 | -43 | 174.9 | -179.2 | 64.2 | 0 | 0 | 0 | 113 | K344 W350 T351 I352 | K344-L348 PolarHBondContact O-N 2.97Å; L348-W350 VanDerWaalsContact C-N 3.28Å; L348-W350 PolarHBondContact O-N 3.48Å; L348-T351 PolarHBondContact O-N 3.47Å; L348-I352 HydrophobicContact CD1-CD1 3.97Å; L348-I352 HydrophobicContact CD1-CG1 4.37Å; L348-I352 HydrophobicContact CG-CD1 3.91Å; L348-I352 WeakPolarHBondContact O-CB 3.41Å; L348-I352 VanDerWaalsContact O-CG1 3.3Å; L348-I352 WeakPolarHBondContact O-CG1 3.33Å; L348-I352 PolarHBondContact O-N 2.97Å |
| 349 | R | 88.8 | Confident | 79.8 | Confident | 145 Ų | 145 | 112.1 Ų | 112.1 | 55% | 0.547 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66 | -26.1 | 175.3 | -77.7 | 170 | 171.2 | -168.5 | -4.2 | 113.3 | R345 E347 R353 | R345-R349 WeakPolarHBondContact O-CB 3.38Å; R345-R349 WeakPolarHBondContact O-CD 3.36Å; R345-R349 WeakPolarHBondContact O-CG 3.1Å; R345-R349 PolarHBondContact O-N 3.43Å; E347-R349 VanDerWaalsContact C-N 3.3Å; E347-R349 PolarHBondContact O-N 3.37Å; R349-R353 WeakPolarHBondContact O-CG 3.36Å; R349-R353 PolarHBondContact O-N 2.96Å; R349-R353 PolarHBondContact O-NE 3.37Å; R349-R353 PolarHBondContact O-NH2 3.03Å |
| 350 | W | 85 | Confident | 80 | Confident | 154 Ų | 154 | 115.9 Ų | 115.9 | 58% | 0.583 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -78.6 | -47.3 | 175.1 | -178.3 | 88.4 | 0 | 0 | 0 | 110.4 | S346 E347 L348 I352 R353 N354 | S346-W350 WeakPolarHBondContact O-CB 3.48Å; S346-W350 PolarHBondContact O-N 3.12Å; E347-W350 WeakPolarHBondContact O-CA 3.41Å; E347-W350 WeakPolarHBondContact O-CB 3.39Å; E347-W350 PolarHBondContact O-N 3.18Å; L348-W350 VanDerWaalsContact C-N 3.28Å; L348-W350 PolarHBondContact O-N 3.48Å; W350-I352 PolarHBondContact O-N 3.31Å; W350-R353 PolarHBondContact O-N 2.94Å; W350-R353 VanDerWaalsContact O-N 3.11Å; W350-N354 WeakPolarHBondContact O-CB 3.34Å; W350-N354 PolarHBondContact O-N 3.01Å |
| 351 | T | 87.1 | Confident | 80.1 | Confident | 59 Ų | 59 | 119.1 Ų | 119.1 | 36% | 0.362 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -53.7 | -52.5 | 174.8 | -47.1 | 0 | 0 | 0 | 0 | 111.1 | E347 L348 R353 N354 D355 | E347-T351 PolarHBondContact O-N 3.39Å; E347-T351 PolarHBondContact O-OG1 3.49Å; L348-T351 PolarHBondContact O-N 3.47Å; T351-R353 VanDerWaalsContact C-N 3.32Å; T351-R353 PolarHBondContact O-N 3.27Å; T351-N354 WeakPolarHBondContact O-CB 3.26Å; T351-N354 PolarHBondContact O-N 3.29Å; T351-N354 VanDerWaalsContact O-N 3.07Å; T351-D355 PolarHBondContact O-N 2.83Å |
| 352 | I | 88.1 | Confident | 80.1 | Confident | 84 Ų | 84 | 119.8 Ų | 119.8 | 43% | 0.431 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -58.9 | -39.3 | 178.1 | -67.8 | 167.7 | 0 | 0 | 0 | 112.4 | L348 W350 L356 | L348-I352 HydrophobicContact CD1-CD1 3.97Å; L348-I352 HydrophobicContact CD1-CG1 4.37Å; L348-I352 HydrophobicContact CG-CD1 3.91Å; L348-I352 WeakPolarHBondContact O-CB 3.41Å; L348-I352 VanDerWaalsContact O-CG1 3.3Å; L348-I352 WeakPolarHBondContact O-CG1 3.33Å; L348-I352 PolarHBondContact O-N 2.97Å; W350-I352 PolarHBondContact O-N 3.31Å; I352-L356 HydrophobicContact CG2-CD1 3.92Å; I352-L356 HydrophobicContact CG2-CG 4.46Å; I352-L356 WeakPolarHBondContact O-CB 3.42Å; I352-L356 WeakPolarHBondContact O-CG 3.11Å; I352-L356 PolarHBondContact O-N 2.98Å |
| 353 | R | 90.9 | Very high | 80.3 | Confident | 155 Ų | 155 | 121.8 Ų | 121.8 | 59% | 0.585 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.6 | -38.6 | 176.4 | -83.5 | 177.7 | -68.2 | 145.6 | 3.5 | 112.2 | R349 W350 T351 A357 | R349-R353 WeakPolarHBondContact O-CG 3.36Å; R349-R353 PolarHBondContact O-N 2.96Å; R349-R353 PolarHBondContact O-NE 3.37Å; R349-R353 PolarHBondContact O-NH2 3.03Å; W350-R353 PolarHBondContact O-N 2.94Å; W350-R353 VanDerWaalsContact O-N 3.11Å; T351-R353 VanDerWaalsContact C-N 3.32Å; T351-R353 PolarHBondContact O-N 3.27Å; R353-A357 WeakPolarHBondContact O-CB 3.31Å; R353-A357 PolarHBondContact O-N 2.85Å |
| 354 | N | 89.8 | Confident | 80.4 | Confident | 69 Ų | 69 | 122.7 Ų | 122.7 | 37% | 0.369 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.5 | -43.9 | 176.3 | -175 | 66.7 | 0 | 0 | 0 | 111.2 | W350 T351 A357 N358 | W350-N354 WeakPolarHBondContact O-CB 3.34Å; W350-N354 PolarHBondContact O-N 3.01Å; T351-N354 WeakPolarHBondContact O-CB 3.26Å; T351-N354 PolarHBondContact O-N 3.29Å; T351-N354 VanDerWaalsContact O-N 3.07Å; N354-A357 PolarHBondContact O-N 3.41Å; N354-N358 WeakPolarHBondContact O-CB 3.46Å; N354-N358 PolarHBondContact O-N 2.9Å; N354-N358 PolarHBondContact O-ND2 3.1Å; N354-N358 PolarHBondContact OD1-ND2 3.21Å |
| 355 | D | 89.3 | Confident | 80 | Confident | 55 Ų | 55 | 123.8 Ų | 123.8 | 29% | 0.294 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.9 | -43.4 | 177.5 | -67.4 | -30.8 | 0 | 0 | 0 | 111.6 | T351 N358 R359 R360 | T351-D355 PolarHBondContact O-N 2.83Å; D355-N358 CarbonylContact O-C 3.57Å; D355-N358 PolarHBondContact O-N 3.5Å; D355-R359 PolarHBondContact O-N 3.29Å; D355-R360 HydrophobicContact CB-CB 4.29Å; D355-R360 PolarHBondContact O-N 2.83Å |
| 356 | L | 87.5 | Confident | 79.2 | Confident | 95 Ų | 95 | 124.4 Ų | 124.4 | 50% | 0.497 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.1 | -43.1 | 173.8 | -73.3 | 170.8 | 0 | 0 | 0 | 112.7 | I352 N358 R359 L361 | I352-L356 HydrophobicContact CG2-CD1 3.92Å; I352-L356 HydrophobicContact CG2-CG 4.46Å; I352-L356 WeakPolarHBondContact O-CB 3.42Å; I352-L356 WeakPolarHBondContact O-CG 3.11Å; I352-L356 PolarHBondContact O-N 2.98Å; L356-N358 VanDerWaalsContact C-N 3.3Å; L356-N358 PolarHBondContact O-N 2.93Å; L356-R359 PolarHBondContact O-N 2.9Å; L356-L361 HydrophobicContact CD2-CD2 3.83Å |
| 357 | A | 86.9 | Confident | 78 | Confident | 81 Ų | 81 | 126.4 Ų | 126.4 | 67% | 0.669 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.7 | -39.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | R353 N354 R359 | R353-A357 WeakPolarHBondContact O-CB 3.31Å; R353-A357 PolarHBondContact O-N 2.85Å; N354-A357 PolarHBondContact O-N 3.41Å; A357-R359 PolarHBondContact O-N 2.83Å |
| 358 | N | 86.6 | Confident | 76.5 | Confident | 95 Ų | 95 | 128.9 Ų | 128.9 | 51% | 0.508 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.2 | 9.7 | 175.2 | -68.7 | -72.5 | 0 | 0 | 0 | 113.6 | N354 D355 L356 R360 | N354-N358 WeakPolarHBondContact O-CB 3.46Å; N354-N358 PolarHBondContact O-N 2.9Å; N354-N358 PolarHBondContact O-ND2 3.1Å; N354-N358 PolarHBondContact OD1-ND2 3.21Å; D355-N358 CarbonylContact O-C 3.57Å; D355-N358 PolarHBondContact O-N 3.5Å; L356-N358 VanDerWaalsContact C-N 3.3Å; L356-N358 PolarHBondContact O-N 2.93Å; N358-R360 HydrophobicContact CB-CG 4.35Å; N358-R360 PolarHBondContact O-N 3.38Å |
| 359 | R | 80 | Confident | 74.6 | Confident | 223 Ų | 223 | 136.4 Ų | 136.4 | 84% | 0.842 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.2 | 20.2 | -176.3 | -60.2 | -170.6 | 178 | -157.3 | 0.7 | 115.5 | D355 L356 A357 L361 | D355-R359 PolarHBondContact O-N 3.29Å; L356-R359 PolarHBondContact O-N 2.9Å; A357-R359 PolarHBondContact O-N 2.83Å; R359-L361 VanDerWaalsContact C-N 3.27Å; R359-L361 PolarHBondContact O-N 3.31Å |
| 360 | R | 77.8 | Confident | 73.9 | Confident | 187 Ų | 187 | 136 Ų | 136 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | trans | -80.2 | 74.2 | 174.2 | -65.6 | -174.2 | 178.1 | -163.6 | -2 | 109.7 | D355 N358 | D355-R360 HydrophobicContact CB-CB 4.29Å; D355-R360 PolarHBondContact O-N 2.83Å; N358-R360 HydrophobicContact CB-CG 4.35Å; N358-R360 PolarHBondContact O-N 3.38Å | ||
| 361 | L | 72.2 | Confident | 73.3 | Confident | 129 Ų | 129 | 135.1 Ų | 135.1 | 68% | 0.675 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 140.3 | 171.9 | -68.9 | 173.8 | 0 | 0 | 0 | 109.9 | L356 R359 Q363 | L356-L361 HydrophobicContact CD2-CD2 3.83Å; R359-L361 VanDerWaalsContact C-N 3.27Å; R359-L361 PolarHBondContact O-N 3.31Å; L361-Q363 PolarHBondContact O-N 3.05Å |
| 362 | P | 66.3 | Low | 72.6 | Confident | 109 Ų | 109 | 139.3 Ų | 139.3 | 71% | 0.708 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 135.3 | 176.4 | 25.3 | -33.8 | 0 | 0 | 0 | 109.9 | K364 | P362-K364 PolarHBondContact O-N 2.73Š|
| 363 | Q | 64.4 | Low | 71.7 | Confident | 164 Ų | 164 | 142.5 Ų | 142.5 | 77% | 0.766 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 124.3 | 177.2 | -169.3 | 107.1 | -10.3 | 0 | 0 | 109.1 | L361 F365 | L361-Q363 PolarHBondContact O-N 3.05Å; Q363-F365 WeakPolarHBondContact O-CD2 3.39Å; Q363-F365 PolarHBondContact O-N 3.42Å |
| 364 | K | 65.9 | Low | 70.5 | Confident | 186 Ų | 186 | 141.8 Ų | 141.8 | 81% | 0.809 | 70% | 0.696 | S | S | * | * | trans | -65.2 | 104.4 | 174.9 | -70.7 | -173.4 | 179.7 | -177.5 | 0 | 108.6 | P362 N366 | P362-K364 PolarHBondContact O-N 2.73Å; K364-N366 PolarHBondContact O-N 2.88Å; K364-N366 VanDerWaalsContact O-N 3.15Å | ||
| 365 | F | 60 | Low | 69.2 | Low | 182 Ų | 182 | 146.6 Ų | 146.6 | 80% | 0.798 | 72% | 0.717 | S | S | * | * | trans | -66.8 | 110.1 | 166.6 | -59.2 | -75.1 | 0 | 0 | 0 | 107.6 | Q363 S367 | Q363-F365 WeakPolarHBondContact O-CD2 3.39Å; Q363-F365 PolarHBondContact O-N 3.42Å; F365-S367 VanDerWaalsContact C-N 3.27Å; F365-S367 PolarHBondContact O-N 3.36Å | ||
| 366 | N | 54.4 | Low | 67.7 | Low | 146 Ų | 146 | 153.1 Ų | 153.1 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | trans | -70.9 | 87.3 | 172.9 | -74.1 | -15.3 | 0 | 0 | 0 | 108.4 | K364 Q368 | K364-N366 PolarHBondContact O-N 2.88Å; K364-N366 VanDerWaalsContact O-N 3.15Å; N366-Q368 VanDerWaalsContact C-N 3.31Å; N366-Q368 PolarHBondContact O-N 2.61Å | ||
| 367 | S | 52.5 | Low | 66.2 | Low | 98 Ų | 98 | 157.6 Ų | 157.6 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -71.2 | 86.6 | 172.6 | 55.5 | 0 | 0 | 0 | 0 | 109.8 | F365 | F365-S367 VanDerWaalsContact C-N 3.27Å; F365-S367 PolarHBondContact O-N 3.36Å | ||
| 368 | Q | 49.6 | Very low | 64.5 | Low | 182 Ų | 182 | 164 Ų | 164 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | -67.9 | 124.9 | 160.5 | -75 | -179.4 | -73.1 | 0 | 0 | 108.9 | N366 | N366-Q368 VanDerWaalsContact C-N 3.31Å; N366-Q368 PolarHBondContact O-N 2.61Å | ||
| 369 | F | 44.2 | Very low | 62.5 | Low | 267 Ų | 267 | 170.3 Ų | 170.3 | 100% | 1.171 | 80% | 0.799 | S | S | * | * | trans | -144.2 | 0 | 163.6 | -79.6 | -70.3 | 0 | 0 | 0 | 107.1 |
Retrieved 369 of 369 residues in 55.2 ms
(Link to these results)