| 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 | 43.1 | Very low | 60.5 | Low | 211 Ų | 211 | 115.5 Ų | 115.5 | 100% | 1.039 | 59% | 0.591 | S | S | * | * | 0 | 88.9 | 0 | -83.2 | 172.2 | 157.2 | 0 | 0 | 105.2 | D3 | M1-D3 PolarHBondContact O-N 2.86Å; M1-D3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | D | 53.8 | Low | 62.1 | Low | 137 Ų | 137 | 113.8 Ų | 113.8 | 73% | 0.733 | 58% | 0.577 | S | S | * | * | trans | -87.3 | 63.7 | -174.4 | -53.1 | -82.7 | 0 | 0 | 0 | 108.3 | K4 T5 | D2-K4 PolarHBondContact O-N 2.72Å; D2-T5 PolarHBondContact O-N 3.03Å | ||
| 3 | D | 58.3 | Low | 63.3 | Low | 101 Ų | 101 | 110.5 Ų | 110.5 | 54% | 0.54 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.6 | -17.3 | -176.1 | -75.3 | -79.6 | 0 | 0 | 0 | 113.3 | M1 | M1-D3 PolarHBondContact O-N 2.86Å; M1-D3 VanDerWaalsContact O-N 3.1Å |
| 4 | K | 57.5 | Low | 64.6 | Low | 128 Ų | 128 | 114.9 Ų | 114.9 | 56% | 0.557 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.5 | -42.1 | 175.7 | -87.9 | -169.5 | 163.8 | -162.1 | 0 | 112.6 | D2 Q6 R7 D8 | D2-K4 PolarHBondContact O-N 2.72Å; K4-Q6 PolarHBondContact O-N 3.08Å; K4-Q6 VanDerWaalsContact O-N 3.17Å; K4-R7 WeakPolarHBondContact O-CB 3.34Å; K4-R7 PolarHBondContact O-N 3.17Å; K4-D8 PolarHBondContact O-N 3.29Å |
| 5 | T | 56 | Low | 65.8 | Low | 109 Ų | 109 | 114.3 Ų | 114.3 | 67% | 0.669 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.8 | -28.1 | -174.4 | -44.8 | 0 | 0 | 0 | 0 | 112.5 | D2 | D2-T5 PolarHBondContact O-N 3.03Å |
| 6 | Q | 55.2 | Low | 66.9 | Low | 142 Ų | 142 | 110.2 Ų | 110.2 | 66% | 0.664 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.6 | -33.1 | 175.3 | -166.7 | 177 | -90.4 | 0 | 0 | 112.2 | K4 D8 S9 F12 | K4-Q6 PolarHBondContact O-N 3.08Å; K4-Q6 VanDerWaalsContact O-N 3.17Å; Q6-D8 VanDerWaalsContact C-N 3.35Å; Q6-S9 WeakPolarHBondContact O-CB 3.31Å; Q6-S9 PolarHBondContact O-N 3.11Å; Q6-F12 HydrophobicContact CG-CE2 4.49Å; Q6-F12 VanDerWaalsContact O-CD2 3.25Å; Q6-F12 WeakPolarHBondContact O-CD2 3.44Å; Q6-F12 WeakPolarHBondContact O-CE2 3.08Å |
| 7 | R | 58.3 | Low | 67.8 | Low | 142 Ų | 142 | 104.7 Ų | 104.7 | 54% | 0.536 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.6 | -33.5 | 178.2 | -69 | -176 | 175.9 | 146.5 | 4.1 | 112 | K4 S9 L36 | K4-R7 WeakPolarHBondContact O-CB 3.34Å; K4-R7 PolarHBondContact O-N 3.17Å; R7-S9 PolarHBondContact O-N 3.4Å; R7-L36 WeakPolarHBondContact O-CD2 3.49Å |
| 8 | D | 61.7 | Low | 68.8 | Low | 51 Ų | 51 | 104.6 Ų | 104.6 | 27% | 0.273 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 12.7 | 176.4 | -68.7 | -53.8 | 0 | 0 | 0 | 114.5 | K4 Q6 P10 L36 | K4-D8 PolarHBondContact O-N 3.29Å; Q6-D8 VanDerWaalsContact C-N 3.35Å; D8-P10 WeakPolarHBondContact O-CD 3.46Å; D8-L36 PolarHBondContact OD1-N 2.91Å |
| 9 | S | 67.6 | Low | 69.6 | Low | 37 Ų | 37 | 110.3 Ų | 110.3 | 26% | 0.259 | 53% | 0.527 | S | S | . | . | trans | -60.1 | 129.9 | 172.3 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | Q6 R7 L11 F12 R13 | Q6-S9 WeakPolarHBondContact O-CB 3.31Å; Q6-S9 PolarHBondContact O-N 3.11Å; R7-S9 PolarHBondContact O-N 3.4Å; S9-L11 PolarHBondContact O-N 3.46Å; S9-F12 PolarHBondContact O-N 3Å; S9-R13 PolarHBondContact O-N 3.43Å | ||
| 10 | P | 73.9 | Confident | 70.3 | Confident | 96 Ų | 96 | 105.9 Ų | 105.9 | 62% | 0.623 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -51.4 | -25.1 | 177.6 | -28.3 | 34.2 | 0 | 0 | 0 | 113.9 | D8 R14 | D8-P10 WeakPolarHBondContact O-CD 3.46Å; P10-R14 WeakPolarHBondContact O-CB 3.33Å; P10-R14 PolarHBondContact O-N 3.1Å |
| 11 | L | 79.8 | Confident | 70.9 | Confident | 117 Ų | 117 | 104.1 Ų | 104.1 | 61% | 0.613 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.1 | -46.8 | 173.5 | -66.3 | 172.9 | 0 | 0 | 0 | 112.5 | S9 R13 R14 M15 | S9-L11 PolarHBondContact O-N 3.46Å; L11-R13 VanDerWaalsContact C-N 3.35Å; L11-R14 PolarHBondContact O-N 3.41Å; L11-M15 WeakPolarHBondContact O-CG 3.49Å; L11-M15 PolarHBondContact O-N 3.4Å |
| 12 | F | 80.2 | Confident | 72.8 | Confident | 95 Ų | 95 | 97.2 Ų | 97.2 | 42% | 0.417 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 178 | -74.9 | -68.4 | 0 | 0 | 0 | 111.2 | Q6 S9 R14 M15 F16 L36 | Q6-F12 HydrophobicContact CG-CE2 4.49Å; Q6-F12 VanDerWaalsContact O-CD2 3.25Å; Q6-F12 WeakPolarHBondContact O-CD2 3.44Å; Q6-F12 WeakPolarHBondContact O-CE2 3.08Å; S9-F12 PolarHBondContact O-N 3Å; F12-R14 VanDerWaalsContact C-N 3.29Å; F12-R14 PolarHBondContact O-N 2.87Å; F12-M15 PolarHBondContact O-N 2.8Å; F12-F16 VanDerWaalsContact O-CB 3.3Å; F12-F16 WeakPolarHBondContact O-CB 3.21Å; F12-F16 PolarHBondContact O-N 2.94Å; F12-L36 HydrophobicContact CB-CD2 3.8Å |
| 13 | R | 77.4 | Confident | 74.1 | Confident | 70 Ų | 70 | 94 Ų | 94 | 26% | 0.264 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 173.2 | -169.2 | -175.1 | -64.8 | 151.5 | 9.7 | 111.7 | S9 L11 F16 L17 T34 L36 M39 | S9-R13 PolarHBondContact O-N 3.43Å; L11-R13 VanDerWaalsContact C-N 3.35Å; R13-F16 PolarHBondContact O-N 2.98Å; R13-L17 HydrophobicContact CG-CD1 4.28Å; R13-L17 WeakPolarHBondContact O-CG 3.47Å; R13-L17 PolarHBondContact O-N 3.16Å; R13-T34 PolarHBondContact NH2-O 3.36Å; R13-L36 HydrophobicContact CB-CD1 4.19Å; R13-L36 HydrophobicContact CG-CD1 4.3Å; R13-M39 HydrophobicContact CG-CE 3.96Å; R13-M39 HydrophobicContact CG-SD 3.63Å |
| 14 | R | 81.6 | Confident | 75.3 | Confident | 172 Ų | 172 | 89.1 Ų | 89.1 | 65% | 0.649 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.1 | -47.8 | 175.6 | -177.5 | 175 | 175.7 | 166.5 | -0.2 | 111.9 | P10 L11 F12 F16 L17 D18 | P10-R14 WeakPolarHBondContact O-CB 3.33Å; P10-R14 PolarHBondContact O-N 3.1Å; L11-R14 PolarHBondContact O-N 3.41Å; F12-R14 VanDerWaalsContact C-N 3.29Å; F12-R14 PolarHBondContact O-N 2.87Å; R14-F16 VanDerWaalsContact C-N 3.26Å; R14-F16 PolarHBondContact O-N 3.44Å; R14-L17 PolarHBondContact O-N 3.16Å; R14-D18 IonicContact NE-OD2 3.98Å; R14-D18 WeakPolarHBondContact O-CB 3.45Å; R14-D18 PolarHBondContact O-N 3.33Å |
| 15 | M | 83.1 | Confident | 76.6 | Confident | 107 Ų | 107 | 84.9 Ų | 84.9 | 53% | 0.527 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.2 | -35.7 | 177.2 | -69.4 | -168.5 | -163 | 0 | 0 | 112.7 | L11 F12 R19 | L11-M15 WeakPolarHBondContact O-CG 3.49Å; L11-M15 PolarHBondContact O-N 3.4Å; F12-M15 PolarHBondContact O-N 2.8Å; M15-R19 WeakPolarHBondContact O-CG 3.36Å; M15-R19 PolarHBondContact O-N 2.96Å |
| 16 | F | 83.1 | Confident | 77.8 | Confident | 48 Ų | 48 | 86.3 Ų | 86.3 | 21% | 0.211 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65.7 | -50.4 | 176 | 179.9 | -105.3 | 0 | 0 | 0 | 110.9 | F12 R13 R14 D18 R19 L20 L28 L36 M39 A40 A43 | F12-F16 VanDerWaalsContact O-CB 3.3Å; F12-F16 WeakPolarHBondContact O-CB 3.21Å; F12-F16 PolarHBondContact O-N 2.94Å; R13-F16 PolarHBondContact O-N 2.98Å; R14-F16 VanDerWaalsContact C-N 3.26Å; R14-F16 PolarHBondContact O-N 3.44Å; F16-D18 VanDerWaalsContact C-N 3.32Å; F16-D18 PolarHBondContact O-N 3.02Å; F16-R19 PolarHBondContact O-N 3.18Å; F16-R19 VanDerWaalsContact O-N 3.16Å; F16-L20 HydrophobicContact CD1-CD1 3.86Å; F16-L20 HydrophobicContact CE1-CD1 3.37Å; F16-L20 HydrophobicContact CE1-CG 4.3Å; F16-L20 HydrophobicContact CZ-CD1 3.75Å; F16-L20 HydrophobicContact CZ-CD2 4.29Å; F16-L20 HydrophobicContact CZ-CG 4.28Å; F16-L20 WeakPolarHBondContact O-CG 3.32Å; F16-L20 PolarHBondContact O-N 3.17Å; F16-L28 HydrophobicContact CE1-CD1 4.12Å; F16-L36 HydrophobicContact CB-CD1 3.98Å; F16-L36 HydrophobicContact CD1-CD1 4.14Å; F16-L36 HydrophobicContact CG-CD1 4.11Å; F16-M39 HydrophobicContact CD1-CG 4.12Å; F16-M39 HydrophobicContact CD1-SD 4.2Å; F16-M39 HydrophobicContact CE1-CG 3.96Å; F16-A40 HydrophobicContact CE1-CB 4.33Å; F16-A40 HydrophobicContact CE2-CB 4.03Å; F16-A40 VanDerWaalsContact CZ-CA 3.45Å; F16-A40 HydrophobicContact CZ-CB 3.79Å; F16-A43 HydrophobicContact CE1-CB 3.82Å; F16-A43 HydrophobicContact CZ-CB 3.56Å |
| 17 | L | 82.6 | Confident | 79 | Confident | 17 Ų | 17 | 84.1 Ų | 84.1 | 9% | 0.089 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 175.6 | -71 | 169.1 | 0 | 0 | 0 | 111.7 | R13 R14 R19 L20 Q25 L28 K29 M39 | R13-L17 HydrophobicContact CG-CD1 4.28Å; R13-L17 WeakPolarHBondContact O-CG 3.47Å; R13-L17 PolarHBondContact O-N 3.16Å; R14-L17 PolarHBondContact O-N 3.16Å; L17-R19 PolarHBondContact O-N 2.92Å; L17-R19 VanDerWaalsContact O-N 3.16Å; L17-L20 HydrophobicContact CD2-CD1 4.46Å; L17-L20 WeakPolarHBondContact O-CB 3.45Å; L17-L20 PolarHBondContact O-N 3.41Å; L17-Q25 HydrophobicContact CB-CG 4.47Å; L17-Q25 WeakPolarHBondContact O-CG 3.32Å; L17-Q25 PolarHBondContact O-NE2 2.73Å; L17-L28 HydrophobicContact CD2-CB 3.86Å; L17-L28 HydrophobicContact CD2-CD1 3.95Å; L17-K29 HydrophobicContact CD1-CG 4.39Å; L17-M39 HydrophobicContact CD1-SD 4.45Å; L17-M39 HydrophobicContact CD2-SD 4.01Å; L17-M39 HydrophobicContact CG-SD 4.15Å |
| 18 | D | 85.7 | Confident | 80.1 | Confident | 102 Ų | 102 | 77.5 Ų | 77.5 | 55% | 0.545 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.3 | -22.7 | -179.4 | -71 | -15.8 | 0 | 0 | 0 | 113.1 | R14 F16 | R14-D18 IonicContact NE-OD2 3.98Å; R14-D18 WeakPolarHBondContact O-CB 3.45Å; R14-D18 PolarHBondContact O-N 3.33Å; F16-D18 VanDerWaalsContact C-N 3.32Å; F16-D18 PolarHBondContact O-N 3.02Å |
| 19 | R | 84.3 | Confident | 80.9 | Confident | 214 Ų | 214 | 81.9 Ų | 81.9 | 81% | 0.808 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -83.2 | -17.3 | 174.6 | -71.3 | 171.6 | -177.2 | -96.2 | 0.4 | 113.5 | M15 F16 L17 | M15-R19 WeakPolarHBondContact O-CG 3.36Å; M15-R19 PolarHBondContact O-N 2.96Å; F16-R19 PolarHBondContact O-N 3.18Å; F16-R19 VanDerWaalsContact O-N 3.16Å; L17-R19 PolarHBondContact O-N 2.92Å; L17-R19 VanDerWaalsContact O-N 3.16Å |
| 20 | L | 82.5 | Confident | 81.5 | Confident | 22 Ų | 22 | 83.9 Ų | 83.9 | 12% | 0.115 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -87.7 | 151.3 | -176.8 | -69.6 | 169.6 | 0 | 0 | 0 | 111.6 | F16 L17 V24 Q25 L28 A43 T47 | F16-L20 HydrophobicContact CD1-CD1 3.86Å; F16-L20 HydrophobicContact CE1-CD1 3.37Å; F16-L20 HydrophobicContact CE1-CG 4.3Å; F16-L20 HydrophobicContact CZ-CD1 3.75Å; F16-L20 HydrophobicContact CZ-CD2 4.29Å; F16-L20 HydrophobicContact CZ-CG 4.28Å; F16-L20 WeakPolarHBondContact O-CG 3.32Å; F16-L20 PolarHBondContact O-N 3.17Å; L17-L20 HydrophobicContact CD2-CD1 4.46Å; L17-L20 WeakPolarHBondContact O-CB 3.45Å; L17-L20 PolarHBondContact O-N 3.41Å; L20-V24 HydrophobicContact CB-CB 4.34Å; L20-V24 HydrophobicContact CB-CG1 4.39Å; L20-V24 HydrophobicContact CD1-CG1 3.91Å; L20-V24 HydrophobicContact CD2-CG1 4.22Å; L20-V24 HydrophobicContact CG-CG1 4.43Å; L20-Q25 HydrophobicContact CB-CG 4.05Å; L20-Q25 PolarHBondContact O-NE2 3.03Å; L20-L28 HydrophobicContact CD1-CD1 3.35Å; L20-A43 HydrophobicContact CD1-CB 3.78Å; L20-A43 HydrophobicContact CD2-CB 3.88Å; L20-T47 HydrophobicContact CD2-CG2 4.48Å |
| 21 | P | 83.6 | Confident | 81.3 | Confident | 68 Ų | 68 | 81.2 Ų | 81.2 | 44% | 0.442 | 41% | 0.406 | S | S | . | . | trans | -64.9 | 150.3 | 172.4 | 24.7 | -29.9 | 0 | 0 | 0 | 111.4 | N23 V24 Q25 | P21-N23 VanDerWaalsContact CB-OD1 3.31Å; P21-N23 WeakPolarHBondContact CB-OD1 3.47Å; P21-N23 WeakPolarHBondContact CG-OD1 3.32Å; P21-N23 PolarHBondContact O-N 3.22Å; P21-N23 VanDerWaalsContact O-N 3.11Å; P21-N23 PolarHBondContact O-OD1 3.26Å; P21-V24 HydrophobicContact CG-CB 4.41Å; P21-V24 HydrophobicContact CG-CG2 3.95Å; P21-V24 PolarHBondContact O-N 2.93Å; P21-Q25 PolarHBondContact O-N 3.35Å | ||
| 22 | A | 81.9 | Confident | 81 | Confident | 67 Ų | 67 | 83.9 Ų | 83.9 | 55% | 0.554 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -56.6 | -33.8 | -169 | 0 | 0 | 0 | 0 | 0 | 114 | Q25 M26 | A22-Q25 PolarHBondContact O-N 3.01Å; A22-M26 WeakPolarHBondContact O-CG 3.33Å; A22-M26 PolarHBondContact O-N 2.88Å |
| 23 | N | 81.2 | Confident | 80.7 | Confident | 68 Ų | 68 | 80.8 Ų | 80.8 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 174.9 | 61.8 | -28.7 | 0 | 0 | 0 | 111.9 | P21 L27 | P21-N23 VanDerWaalsContact CB-OD1 3.31Å; P21-N23 WeakPolarHBondContact CB-OD1 3.47Å; P21-N23 WeakPolarHBondContact CG-OD1 3.32Å; P21-N23 PolarHBondContact O-N 3.22Å; P21-N23 VanDerWaalsContact O-N 3.11Å; P21-N23 PolarHBondContact O-OD1 3.26Å; N23-L27 WeakPolarHBondContact O-CD1 3.35Å; N23-L27 WeakPolarHBondContact O-CG 3.39Å; N23-L27 PolarHBondContact O-N 3.08Å |
| 24 | V | 83.5 | Confident | 80.4 | Confident | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -70.5 | -41.1 | 178.5 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | L20 P21 M26 L27 L28 A43 M46 T47 | L20-V24 HydrophobicContact CB-CB 4.34Å; L20-V24 HydrophobicContact CB-CG1 4.39Å; L20-V24 HydrophobicContact CD1-CG1 3.91Å; L20-V24 HydrophobicContact CD2-CG1 4.22Å; L20-V24 HydrophobicContact CG-CG1 4.43Å; P21-V24 HydrophobicContact CG-CB 4.41Å; P21-V24 HydrophobicContact CG-CG2 3.95Å; P21-V24 PolarHBondContact O-N 2.93Å; V24-M26 VanDerWaalsContact C-N 3.32Å; V24-M26 PolarHBondContact O-N 3.3Å; V24-L27 PolarHBondContact O-N 3.07Å; V24-L28 HydrophobicContact CG1-CD1 3.72Å; V24-L28 HydrophobicContact CG1-CG 4.04Å; V24-L28 WeakPolarHBondContact O-CB 3.48Å; V24-L28 WeakPolarHBondContact O-CG 3.3Å; V24-L28 PolarHBondContact O-N 3.21Å; V24-A43 HydrophobicContact CG1-CB 3.98Å; V24-M46 HydrophobicContact CG1-CB 4.4Å; V24-M46 HydrophobicContact CG2-CB 4.27Å; V24-T47 HydrophobicContact CG2-CG2 3.82Å |
| 25 | Q | 85.5 | Confident | 80.4 | Confident | 38 Ų | 38 | 76.2 Ų | 76.2 | 18% | 0.178 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -56.6 | -44.8 | 175.5 | -67.5 | -173.8 | 28 | 0 | 0 | 112.7 | L17 L20 P21 A22 L27 K29 | L17-Q25 HydrophobicContact CB-CG 4.47Å; L17-Q25 WeakPolarHBondContact O-CG 3.32Å; L17-Q25 PolarHBondContact O-NE2 2.73Å; L20-Q25 HydrophobicContact CB-CG 4.05Å; L20-Q25 PolarHBondContact O-NE2 3.03Å; P21-Q25 PolarHBondContact O-N 3.35Å; A22-Q25 PolarHBondContact O-N 3.01Å; Q25-L27 VanDerWaalsContact C-N 3.34Å; Q25-K29 VanDerWaalsContact O-CB 3.32Å; Q25-K29 WeakPolarHBondContact O-CB 3.4Å; Q25-K29 WeakPolarHBondContact O-CG 3.24Å; Q25-K29 PolarHBondContact O-N 3.27Å |
| 26 | M | 80.6 | Confident | 80.2 | Confident | 140 Ų | 140 | 72.1 Ų | 72.1 | 69% | 0.69 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64 | -41.7 | 180 | -74.5 | -177.6 | 69.1 | 0 | 0 | 111.7 | A22 V24 K29 A30 | A22-M26 WeakPolarHBondContact O-CG 3.33Å; A22-M26 PolarHBondContact O-N 2.88Å; V24-M26 VanDerWaalsContact C-N 3.32Å; V24-M26 PolarHBondContact O-N 3.3Å; M26-K29 PolarHBondContact O-N 2.96Å; M26-A30 WeakPolarHBondContact O-CB 3.35Å; M26-A30 PolarHBondContact O-N 3.37Å |
| 27 | L | 81.4 | Confident | 80.2 | Confident | 96 Ų | 96 | 73.5 Ų | 73.5 | 50% | 0.503 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -73.5 | -36.4 | -178 | -70.4 | 160.8 | 0 | 0 | 0 | 112.1 | N23 V24 Q25 A30 S31 M46 | N23-L27 WeakPolarHBondContact O-CD1 3.35Å; N23-L27 WeakPolarHBondContact O-CG 3.39Å; N23-L27 PolarHBondContact O-N 3.08Å; V24-L27 PolarHBondContact O-N 3.07Å; Q25-L27 VanDerWaalsContact C-N 3.34Å; L27-A30 PolarHBondContact O-N 3.34Å; L27-S31 PolarHBondContact O-N 3.49Å; L27-M46 HydrophobicContact CB-CE 3.1Å; L27-M46 HydrophobicContact CB-SD 4Å; L27-M46 HydrophobicContact CD1-CE 3.03Å; L27-M46 HydrophobicContact CD2-CE 4.36Å; L27-M46 HydrophobicContact CG-CE 3.55Å |
| 28 | L | 81.1 | Confident | 80.2 | Confident | 3 Ų | 3 | 77.9 Ų | 77.9 | 2% | 0.016 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -71.3 | -29.9 | 172.3 | -67 | 175.9 | 0 | 0 | 0 | 113.2 | F16 L17 L20 V24 A30 S31 M39 K42 A43 M46 | F16-L28 HydrophobicContact CE1-CD1 4.12Å; L17-L28 HydrophobicContact CD2-CB 3.86Å; L17-L28 HydrophobicContact CD2-CD1 3.95Å; L20-L28 HydrophobicContact CD1-CD1 3.35Å; V24-L28 HydrophobicContact CG1-CD1 3.72Å; V24-L28 HydrophobicContact CG1-CG 4.04Å; V24-L28 WeakPolarHBondContact O-CB 3.48Å; V24-L28 WeakPolarHBondContact O-CG 3.3Å; V24-L28 PolarHBondContact O-N 3.21Å; L28-A30 VanDerWaalsContact C-N 3.3Å; L28-S31 WeakPolarHBondContact CA-OG 3.41Å; L28-S31 PolarHBondContact O-N 3.28Å; L28-S31 VanDerWaalsContact O-O 3.11Å; L28-S31 PolarHBondContact O-OG 3.01Å; L28-M39 HydrophobicContact CB-CG 4.29Å; L28-M39 HydrophobicContact CB-SD 4.49Å; L28-M39 HydrophobicContact CD1-CG 3.82Å; L28-M39 HydrophobicContact CD2-CG 3.99Å; L28-M39 HydrophobicContact CG-CG 4.26Å; L28-K42 HydrophobicContact CD2-CB 3.82Å; L28-A43 HydrophobicContact CD1-CB 3.76Å; L28-M46 HydrophobicContact CD2-SD 4.36Å |
| 29 | K | 79.4 | Confident | 80.1 | Confident | 143 Ų | 143 | 73.3 Ų | 73.3 | 62% | 0.622 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -71.5 | -28.8 | 171 | -77.2 | 172.7 | 177.8 | 171.8 | 0 | 112.2 | L17 Q25 M26 | L17-K29 HydrophobicContact CD1-CG 4.39Å; Q25-K29 VanDerWaalsContact O-CB 3.32Å; Q25-K29 WeakPolarHBondContact O-CB 3.4Å; Q25-K29 WeakPolarHBondContact O-CG 3.24Å; Q25-K29 PolarHBondContact O-N 3.27Å; M26-K29 PolarHBondContact O-N 2.96Å |
| 30 | A | 78.3 | Confident | 80 | Confident | 79 Ų | 79 | 64.4 Ų | 64.4 | 65% | 0.653 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -77.8 | -24.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M26 L27 L28 | M26-A30 WeakPolarHBondContact O-CB 3.35Å; M26-A30 PolarHBondContact O-N 3.37Å; L27-A30 PolarHBondContact O-N 3.34Å; L28-A30 VanDerWaalsContact C-N 3.3Å |
| 31 | S | 70.4 | Confident | 80.1 | Confident | 40 Ų | 40 | 69.2 Ų | 69.2 | 28% | 0.28 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -78.2 | 129.5 | 172.5 | 72.9 | 0 | 0 | 0 | 0 | 109.7 | L27 L28 I33 | L27-S31 PolarHBondContact O-N 3.49Å; L28-S31 WeakPolarHBondContact CA-OG 3.41Å; L28-S31 PolarHBondContact O-N 3.28Å; L28-S31 VanDerWaalsContact O-O 3.11Å; L28-S31 PolarHBondContact O-OG 3.01Å; S31-I33 PolarHBondContact O-N 3.38Å; S31-I33 VanDerWaalsContact OG-CD1 3.23Å; S31-I33 WeakPolarHBondContact OG-CD1 3.09Å; S31-I33 WeakPolarHBondContact OG-CG1 3.46Å |
| 32 | L | 73.7 | Confident | 80.1 | Confident | 172 Ų | 172 | 70.1 Ų | 70.1 | 90% | 0.901 | 38% | 0.382 | S | S | * | . | trans | -74.2 | 30.3 | 178.9 | -65.6 | 170 | 0 | 0 | 0 | 112.2 | T34 | L32-T34 PolarHBondContact O-N 2.8Š| ||
| 33 | I | 73.2 | Confident | 80.2 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 16% | 0.159 | 36% | 0.355 | C | S | . | . | trans | -74.9 | 118.8 | -173.7 | -60.8 | 174.4 | 0 | 0 | 0 | 108.8 | S31 D35 E38 M39 K42 | S31-I33 PolarHBondContact O-N 3.38Å; S31-I33 VanDerWaalsContact OG-CD1 3.23Å; S31-I33 WeakPolarHBondContact OG-CD1 3.09Å; S31-I33 WeakPolarHBondContact OG-CG1 3.46Å; I33-D35 WeakPolarHBondContact CG2-O 3.4Å; I33-E38 HydrophobicContact CG2-CB 3.64Å; I33-M39 HydrophobicContact CB-CE 4.5Å; I33-M39 HydrophobicContact CG2-CB 4.06Å; I33-K42 HydrophobicContact CD1-CB 4.24Å; I33-K42 HydrophobicContact CD1-CG 3.76Å | ||
| 34 | T | 72.4 | Confident | 80.3 | Confident | 107 Ų | 107 | 68.6 Ų | 68.6 | 66% | 0.656 | 36% | 0.364 | S | S | * | . | trans | -93.3 | -20.4 | 177.3 | 54.6 | 0 | 0 | 0 | 0 | 112.8 | R13 L32 | R13-T34 PolarHBondContact NH2-O 3.36Å; L32-T34 PolarHBondContact O-N 2.8Å | ||
| 35 | D | 80.1 | Confident | 80.3 | Confident | 38 Ų | 38 | 72.8 Ų | 72.8 | 20% | 0.203 | 38% | 0.384 | C | S | . | . | trans | -92 | 129.6 | -178.7 | -169.1 | -60 | 0 | 0 | 0 | 110.3 | I33 D37 E38 M39 | I33-D35 WeakPolarHBondContact CG2-O 3.4Å; D35-D37 VanDerWaalsContact C-N 3.34Å; D35-D37 WeakPolarHBondContact OD1-CA 3.4Å; D35-D37 VanDerWaalsContact OD1-CB 3.29Å; D35-D37 WeakPolarHBondContact OD1-CB 3.48Å; D35-D37 PolarHBondContact OD1-N 3.26Å; D35-E38 HydrophobicContact CB-CB 4.15Å; D35-E38 HydrophobicContact CB-CG 4.03Å; D35-E38 PolarHBondContact OD1-N 3.23Å; D35-M39 WeakPolarHBondContact O-CB 3.44Å; D35-M39 PolarHBondContact O-N 2.99Å | ||
| 36 | L | 79.8 | Confident | 80 | Confident | 21 Ų | 21 | 72.9 Ų | 72.9 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.1 | -35.3 | -180 | -175.6 | 61.8 | 0 | 0 | 0 | 112.5 | R7 D8 F12 R13 F16 M39 A40 | R7-L36 WeakPolarHBondContact O-CD2 3.49Å; D8-L36 PolarHBondContact OD1-N 2.91Å; F12-L36 HydrophobicContact CB-CD2 3.8Å; R13-L36 HydrophobicContact CB-CD1 4.19Å; R13-L36 HydrophobicContact CG-CD1 4.3Å; F16-L36 HydrophobicContact CB-CD1 3.98Å; F16-L36 HydrophobicContact CD1-CD1 4.14Å; F16-L36 HydrophobicContact CG-CD1 4.11Å; L36-M39 PolarHBondContact O-N 3.39Å; L36-A40 WeakPolarHBondContact O-CB 3.32Å; L36-A40 PolarHBondContact O-N 3.28Å |
| 37 | D | 82.3 | Confident | 79.8 | Confident | 78 Ų | 78 | 68.5 Ų | 68.5 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 179.9 | -67.3 | -25.1 | 0 | 0 | 0 | 109.9 | D35 M39 A40 Q41 | D35-D37 VanDerWaalsContact C-N 3.34Å; D35-D37 WeakPolarHBondContact OD1-CA 3.4Å; D35-D37 VanDerWaalsContact OD1-CB 3.29Å; D35-D37 WeakPolarHBondContact OD1-CB 3.48Å; D35-D37 PolarHBondContact OD1-N 3.26Å; D37-M39 VanDerWaalsContact C-N 3.35Å; D37-A40 PolarHBondContact O-N 2.85Å; D37-Q41 PolarHBondContact O-N 3.32Å |
| 38 | E | 84 | Confident | 79.5 | Confident | 108 Ų | 108 | 66.4 Ų | 66.4 | 51% | 0.505 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 173.6 | -70.4 | -172.8 | 173.9 | 0 | 0 | 111.9 | I33 D35 A40 Q41 K42 | I33-E38 HydrophobicContact CG2-CB 3.64Å; D35-E38 HydrophobicContact CB-CB 4.15Å; D35-E38 HydrophobicContact CB-CG 4.03Å; D35-E38 PolarHBondContact OD1-N 3.23Å; E38-A40 VanDerWaalsContact C-N 3.3Å; E38-A40 PolarHBondContact O-N 2.98Å; E38-Q41 PolarHBondContact O-N 3.49Å; E38-K42 WeakPolarHBondContact O-CG 3.15Å; E38-K42 PolarHBondContact O-N 3.02Å |
| 39 | M | 82.1 | Confident | 78.9 | Confident | 6 Ų | 6 | 72.3 Ų | 72.3 | 3% | 0.03 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 176.5 | -178.5 | 173.2 | -65.3 | 0 | 0 | 111 | R13 F16 L17 L28 I33 D35 L36 D37 K42 A43 | R13-M39 HydrophobicContact CG-CE 3.96Å; R13-M39 HydrophobicContact CG-SD 3.63Å; F16-M39 HydrophobicContact CD1-CG 4.12Å; F16-M39 HydrophobicContact CD1-SD 4.2Å; F16-M39 HydrophobicContact CE1-CG 3.96Å; L17-M39 HydrophobicContact CD1-SD 4.45Å; L17-M39 HydrophobicContact CD2-SD 4.01Å; L17-M39 HydrophobicContact CG-SD 4.15Å; L28-M39 HydrophobicContact CB-CG 4.29Å; L28-M39 HydrophobicContact CB-SD 4.49Å; L28-M39 HydrophobicContact CD1-CG 3.82Å; L28-M39 HydrophobicContact CD2-CG 3.99Å; L28-M39 HydrophobicContact CG-CG 4.26Å; I33-M39 HydrophobicContact CB-CE 4.5Å; I33-M39 HydrophobicContact CG2-CB 4.06Å; D35-M39 WeakPolarHBondContact O-CB 3.44Å; D35-M39 PolarHBondContact O-N 2.99Å; L36-M39 PolarHBondContact O-N 3.39Å; D37-M39 VanDerWaalsContact C-N 3.35Å; M39-K42 PolarHBondContact O-N 3.36Å; M39-A43 WeakPolarHBondContact O-CB 3.22Å; M39-A43 PolarHBondContact O-N 3.4Å |
| 40 | A | 82.8 | Confident | 78.2 | Confident | 27 Ų | 27 | 67.8 Ų | 67.8 | 22% | 0.223 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | F16 L36 D37 E38 K42 A43 D44 | F16-A40 HydrophobicContact CE1-CB 4.33Å; F16-A40 HydrophobicContact CE2-CB 4.03Å; F16-A40 VanDerWaalsContact CZ-CA 3.45Å; F16-A40 HydrophobicContact CZ-CB 3.79Å; L36-A40 WeakPolarHBondContact O-CB 3.32Å; L36-A40 PolarHBondContact O-N 3.28Å; D37-A40 PolarHBondContact O-N 2.85Å; E38-A40 VanDerWaalsContact C-N 3.3Å; E38-A40 PolarHBondContact O-N 2.98Å; A40-K42 VanDerWaalsContact C-N 3.31Å; A40-K42 PolarHBondContact O-N 2.98Å; A40-A43 WeakPolarHBondContact O-CB 3.23Å; A40-A43 PolarHBondContact O-N 3.02Å; A40-A43 VanDerWaalsContact O-N 3.11Å; A40-D44 PolarHBondContact O-N 2.9Å |
| 41 | Q | 85.1 | Confident | 77.3 | Confident | 123 Ų | 123 | 70.8 Ų | 70.8 | 58% | 0.575 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.8 | -43.4 | 176.1 | -174 | 173 | 22.8 | 0 | 0 | 111.8 | D37 E38 D44 E45 | D37-Q41 PolarHBondContact O-N 3.32Å; E38-Q41 PolarHBondContact O-N 3.49Å; Q41-D44 PolarHBondContact O-N 3.31Å; Q41-E45 WeakPolarHBondContact O-CG 3.42Å; Q41-E45 PolarHBondContact O-N 3.46Å; Q41-E45 VanDerWaalsContact O-N 3.07Å |
| 42 | K | 83.1 | Confident | 76.6 | Confident | 87 Ų | 87 | 75.6 Ų | 75.6 | 38% | 0.378 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 174.9 | -71.9 | -50.5 | -173.9 | -161.5 | 0 | 112.8 | L28 I33 E38 M39 A40 D44 E45 M46 | L28-K42 HydrophobicContact CD2-CB 3.82Å; I33-K42 HydrophobicContact CD1-CB 4.24Å; I33-K42 HydrophobicContact CD1-CG 3.76Å; E38-K42 WeakPolarHBondContact O-CG 3.15Å; E38-K42 PolarHBondContact O-N 3.02Å; M39-K42 PolarHBondContact O-N 3.36Å; A40-K42 VanDerWaalsContact C-N 3.31Å; A40-K42 PolarHBondContact O-N 2.98Å; K42-D44 VanDerWaalsContact C-N 3.29Å; K42-D44 PolarHBondContact O-N 2.85Å; K42-E45 WeakPolarHBondContact CD-OE2 3.49Å; K42-E45 VanDerWaalsContact NZ-CD 3.31Å; K42-E45 IonicContact NZ-OE1 2.71Å; K42-E45 PolarHBondContact NZ-OE1 3.29Å; K42-E45 VanDerWaalsContact NZ-OE1 3.09Å; K42-E45 IonicContact NZ-OE2 3.09Å; K42-E45 PolarHBondContact NZ-OE2 3.03Å; K42-E45 PolarHBondContact O-N 3.46Å; K42-M46 WeakPolarHBondContact O-CB 3.25Å; K42-M46 WeakPolarHBondContact O-CG 3.5Å; K42-M46 PolarHBondContact O-N 2.94Å |
| 43 | A | 84 | Confident | 75.6 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F16 L20 V24 L28 M39 A40 M46 T47 | F16-A43 HydrophobicContact CE1-CB 3.82Å; F16-A43 HydrophobicContact CZ-CB 3.56Å; L20-A43 HydrophobicContact CD1-CB 3.78Å; L20-A43 HydrophobicContact CD2-CB 3.88Å; V24-A43 HydrophobicContact CG1-CB 3.98Å; L28-A43 HydrophobicContact CD1-CB 3.76Å; M39-A43 WeakPolarHBondContact O-CB 3.22Å; M39-A43 PolarHBondContact O-N 3.4Å; A40-A43 WeakPolarHBondContact O-CB 3.23Å; A40-A43 PolarHBondContact O-N 3.02Å; A40-A43 VanDerWaalsContact O-N 3.11Å; A43-M46 PolarHBondContact O-N 3.38Å; A43-T47 WeakPolarHBondContact O-CB 3.5Å; A43-T47 WeakPolarHBondContact O-CG2 3.29Å; A43-T47 PolarHBondContact O-N 3.07Å; A43-T47 PolarHBondContact O-OG1 2.86Å |
| 44 | D | 83.2 | Confident | 74.7 | Confident | 103 Ų | 103 | 76.1 Ų | 76.1 | 55% | 0.551 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.9 | -44.4 | 179.3 | -72.9 | -15.2 | 0 | 0 | 0 | 111.7 | A40 Q41 K42 M46 T47 S48 | A40-D44 PolarHBondContact O-N 2.9Å; Q41-D44 PolarHBondContact O-N 3.31Å; K42-D44 VanDerWaalsContact C-N 3.29Å; K42-D44 PolarHBondContact O-N 2.85Å; D44-M46 VanDerWaalsContact C-N 3.25Å; D44-M46 PolarHBondContact O-N 2.63Å; D44-T47 WeakPolarHBondContact CA-OG1 3.44Å; D44-T47 PolarHBondContact O-N 2.87Å; D44-T47 PolarHBondContact O-OG1 3.31Å; D44-S48 VanDerWaalsContact O-CB 3.24Å; D44-S48 WeakPolarHBondContact O-CB 3.46Å; D44-S48 PolarHBondContact O-N 2.95Å |
| 45 | E | 84.3 | Confident | 73.7 | Confident | 88 Ų | 88 | 76.9 Ų | 76.9 | 41% | 0.411 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.4 | -42.8 | 173.2 | -72.7 | 174.5 | -153.6 | 0 | 0 | 111.3 | Q41 K42 S48 L49 | Q41-E45 WeakPolarHBondContact O-CG 3.42Å; Q41-E45 PolarHBondContact O-N 3.46Å; Q41-E45 VanDerWaalsContact O-N 3.07Å; K42-E45 WeakPolarHBondContact CD-OE2 3.49Å; K42-E45 VanDerWaalsContact NZ-CD 3.31Å; K42-E45 IonicContact NZ-OE1 2.71Å; K42-E45 PolarHBondContact NZ-OE1 3.29Å; K42-E45 VanDerWaalsContact NZ-OE1 3.09Å; K42-E45 IonicContact NZ-OE2 3.09Å; K42-E45 PolarHBondContact NZ-OE2 3.03Å; K42-E45 PolarHBondContact O-N 3.46Å; E45-S48 WeakPolarHBondContact O-CB 3.41Å; E45-L49 VanDerWaalsContact O-CG 3.32Å; E45-L49 WeakPolarHBondContact O-CG 3.37Å; E45-L49 PolarHBondContact O-N 3.38Å; E45-L49 VanDerWaalsContact O-N 3.08Å |
| 46 | M | 79.6 | Confident | 72.2 | Confident | 40 Ų | 40 | 78.5 Ų | 78.5 | 20% | 0.197 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -75.1 | -40.4 | -176.1 | -68.8 | -179 | 72.7 | 0 | 0 | 113.8 | V24 L27 L28 K42 A43 D44 S48 L49 T50 | V24-M46 HydrophobicContact CG1-CB 4.4Å; V24-M46 HydrophobicContact CG2-CB 4.27Å; L27-M46 HydrophobicContact CB-CE 3.1Å; L27-M46 HydrophobicContact CB-SD 4Å; L27-M46 HydrophobicContact CD1-CE 3.03Å; L27-M46 HydrophobicContact CD2-CE 4.36Å; L27-M46 HydrophobicContact CG-CE 3.55Å; L28-M46 HydrophobicContact CD2-SD 4.36Å; K42-M46 WeakPolarHBondContact O-CB 3.25Å; K42-M46 WeakPolarHBondContact O-CG 3.5Å; K42-M46 PolarHBondContact O-N 2.94Å; A43-M46 PolarHBondContact O-N 3.38Å; D44-M46 VanDerWaalsContact C-N 3.25Å; D44-M46 PolarHBondContact O-N 2.63Å; M46-S48 VanDerWaalsContact C-N 3.3Å; M46-L49 PolarHBondContact O-N 3.37Å; M46-T50 PolarHBondContact O-N 3.11Å; M46-T50 PolarHBondContact O-OG1 2.96Å |
| 47 | T | 75.6 | Confident | 70.5 | Confident | 48 Ų | 48 | 86.6 Ų | 86.6 | 29% | 0.294 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 174.2 | 50.9 | 0 | 0 | 0 | 0 | 110.7 | L20 V24 A43 D44 T50 Q51 | L20-T47 HydrophobicContact CD2-CG2 4.48Å; V24-T47 HydrophobicContact CG2-CG2 3.82Å; A43-T47 WeakPolarHBondContact O-CB 3.5Å; A43-T47 WeakPolarHBondContact O-CG2 3.29Å; A43-T47 PolarHBondContact O-N 3.07Å; A43-T47 PolarHBondContact O-OG1 2.86Å; D44-T47 WeakPolarHBondContact CA-OG1 3.44Å; D44-T47 PolarHBondContact O-N 2.87Å; D44-T47 PolarHBondContact O-OG1 3.31Å; T47-T50 PolarHBondContact O-N 3.47Å; T47-Q51 PolarHBondContact O-N 2.9Å |
| 48 | S | 74.7 | Confident | 69.1 | Low | 53 Ų | 53 | 88.6 Ų | 88.6 | 37% | 0.371 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.8 | -49.2 | 172.7 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | D44 E45 M46 T50 Q51 H52 | D44-S48 VanDerWaalsContact O-CB 3.24Å; D44-S48 WeakPolarHBondContact O-CB 3.46Å; D44-S48 PolarHBondContact O-N 2.95Å; E45-S48 WeakPolarHBondContact O-CB 3.41Å; M46-S48 VanDerWaalsContact C-N 3.3Å; S48-T50 VanDerWaalsContact C-N 3.28Å; S48-T50 PolarHBondContact O-N 3.33Å; S48-Q51 PolarHBondContact O-N 3.09Å; S48-H52 PolarHBondContact O-CD2 2.99Å; S48-H52 PolarHBondContact O-N 3.36Å |
| 49 | L | 69.1 | Low | 67.2 | Low | 126 Ų | 126 | 88.6 Ų | 88.6 | 66% | 0.66 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.1 | -38.2 | 175.5 | -70.4 | 171.2 | 0 | 0 | 0 | 112.7 | E45 M46 H52 | E45-L49 VanDerWaalsContact O-CG 3.32Å; E45-L49 WeakPolarHBondContact O-CG 3.37Å; E45-L49 PolarHBondContact O-N 3.38Å; E45-L49 VanDerWaalsContact O-N 3.08Å; M46-L49 PolarHBondContact O-N 3.37Å; L49-H52 PolarHBondContact O-N 3.24Å |
| 50 | T | 63.9 | Low | 65.4 | Low | 49 Ų | 49 | 94.5 Ų | 94.5 | 30% | 0.301 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.1 | -37.2 | 179.3 | -38 | 0 | 0 | 0 | 0 | 111.4 | M46 T47 S48 H52 S53 | M46-T50 PolarHBondContact O-N 3.11Å; M46-T50 PolarHBondContact O-OG1 2.96Å; T47-T50 PolarHBondContact O-N 3.47Å; S48-T50 VanDerWaalsContact C-N 3.28Å; S48-T50 PolarHBondContact O-N 3.33Å; T50-H52 VanDerWaalsContact C-N 3.29Å; T50-H52 PolarHBondContact O-N 3.06Å; T50-S53 PolarHBondContact O-N 3Å; T50-S53 VanDerWaalsContact O-N 3.1Å |
| 51 | Q | 60.3 | Low | 63.6 | Low | 141 Ų | 141 | 96.7 Ų | 96.7 | 66% | 0.659 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.5 | -36.8 | 178.6 | -165.2 | 170.6 | 34.3 | 0 | 0 | 111.5 | T47 S48 S53 I54 | T47-Q51 PolarHBondContact O-N 2.9Å; S48-Q51 PolarHBondContact O-N 3.09Å; Q51-S53 VanDerWaalsContact C-N 3.26Å; Q51-S53 PolarHBondContact O-N 2.71Å; Q51-I54 PolarHBondContact O-N 3.21Å |
| 52 | H | 55.6 | Low | 61.8 | Low | 141 Ų | 141 | 97.9 Ų | 97.9 | 65% | 0.653 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67 | -24.9 | 174.8 | -71.3 | -64.4 | 0 | 0 | 0 | 113.6 | S48 L49 T50 | S48-H52 PolarHBondContact O-CD2 2.99Å; S48-H52 PolarHBondContact O-N 3.36Å; L49-H52 PolarHBondContact O-N 3.24Å; T50-H52 VanDerWaalsContact C-N 3.29Å; T50-H52 PolarHBondContact O-N 3.06Å |
| 53 | S | 52.7 | Low | 60.5 | Low | 90 Ų | 90 | 99.2 Ų | 99.2 | 63% | 0.629 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -79 | -21.7 | -179.2 | -167.2 | 0 | 0 | 0 | 0 | 113.9 | T50 Q51 | T50-S53 PolarHBondContact O-N 3Å; T50-S53 VanDerWaalsContact O-N 3.1Å; Q51-S53 VanDerWaalsContact C-N 3.26Å; Q51-S53 PolarHBondContact O-N 2.71Å |
| 54 | I | 53.3 | Low | 59.1 | Low | 125 Ų | 125 | 107 Ų | 107 | 64% | 0.641 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -94.4 | -18.3 | -174.1 | -55 | 172 | 0 | 0 | 0 | 112 | Q51 A56 K57 | Q51-I54 PolarHBondContact O-N 3.21Å; I54-A56 PolarHBondContact O-N 2.79Å; I54-K57 PolarHBondContact O-N 3.37Å; I54-K57 VanDerWaalsContact O-N 3.17Å |
| 55 | V | 52 | Low | 57.8 | Low | 123 Ų | 123 | 109.7 Ų | 109.7 | 75% | 0.745 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -76.7 | -6 | 176.1 | -170.8 | 0 | 0 | 0 | 0 | 112.2 | K57 | V55-K57 PolarHBondContact O-N 3.17Å; V55-K57 VanDerWaalsContact O-N 3.08Å |
| 56 | A | 48.5 | Very low | 56.6 | Low | 71 Ų | 71 | 113.6 Ų | 113.6 | 59% | 0.587 | 64% | 0.64 | S | S | * | * | trans | -79 | 42.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I54 V58 | I54-A56 PolarHBondContact O-N 2.79Å; A56-V58 PolarHBondContact O-N 3.06Å | ||
| 57 | K | 45.6 | Very low | 55.6 | Low | 192 Ų | 192 | 116.1 Ų | 116.1 | 84% | 0.835 | 66% | 0.661 | S | S | * | * | trans | -64.3 | 84.9 | 155.7 | -175.6 | 175.3 | 179.4 | -179.2 | 0 | 105.7 | I54 V55 T59 | I54-K57 PolarHBondContact O-N 3.37Å; I54-K57 VanDerWaalsContact O-N 3.17Å; V55-K57 PolarHBondContact O-N 3.17Å; V55-K57 VanDerWaalsContact O-N 3.08Å; K57-T59 PolarHBondContact O-N 3.2Å | ||
| 58 | V | 51.4 | Low | 54.7 | Low | 120 Ų | 120 | 120.4 Ų | 120.4 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | -36.6 | 109.7 | 169.7 | 164.3 | 0 | 0 | 0 | 0 | 107.7 | A56 | A56-V58 PolarHBondContact O-N 3.06Š| ||
| 59 | T | 44.3 | Very low | 53.4 | Low | 108 Ų | 108 | 129.3 Ų | 129.3 | 66% | 0.663 | 73% | 0.725 | S | S | * | * | trans | -20.4 | 137.5 | 147.5 | 38.1 | 0 | 0 | 0 | 0 | 112.9 | K57 | K57-T59 PolarHBondContact O-N 3.2Š| ||
| 60 | T | 45 | Very low | 52.6 | Low | 130 Ų | 130 | 129.5 Ų | 129.5 | 80% | 0.798 | 73% | 0.728 | S | S | * | * | 151.7 | 119.6 | 116.3 | 53 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 61 | G | 45.3 | Very low | 52 | Low | 73 Ų | 73 | 133.7 Ų | 133.7 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | 53.2 | 97.3 | 139.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 62 | N | 46.4 | Very low | 51.6 | Low | 147 Ų | 147 | 133.3 Ų | 133.3 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | trans | -155.5 | 118.6 | 151.8 | -108 | 75.2 | 0 | 0 | 0 | 103.8 | ||||
| 63 | D | 55.6 | Low | 51.3 | Low | 116 Ų | 116 | 132.9 Ų | 132.9 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | cis | -151.9 | 141.6 | -1.6 | -77.2 | -74.6 | 0 | 0 | 0 | 104.7 | H65 | D63-H65 VanDerWaalsContact C-N 3.3Å; D63-H65 PolarHBondContact O-N 3.1Å | ||
| 64 | D | 55.8 | Low | 51.3 | Low | 164 Ų | 164 | 135.6 Ų | 135.6 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -51.9 | 96.1 | 158.1 | -68.7 | -79.2 | 0 | 0 | 0 | 109.2 | ||||
| 65 | H | 55.4 | Low | 51.1 | Low | 159 Ų | 159 | 136.3 Ų | 136.3 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -130.8 | 64.9 | 176.4 | -137.4 | -45 | 0 | 0 | 0 | 110.4 | D63 | D63-H65 VanDerWaalsContact C-N 3.3Å; D63-H65 PolarHBondContact O-N 3.1Å | ||
| 66 | D | 58.2 | Low | 51.1 | Low | 170 Ų | 170 | 137.2 Ų | 137.2 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -148.3 | 61.5 | 141.9 | -96.7 | -46.3 | 0 | 0 | 0 | 107.7 | ||||
| 67 | S | 58.6 | Low | 51.3 | Low | 92 Ų | 92 | 142.3 Ų | 142.3 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | trans | -80.9 | 114.3 | 150.7 | -64.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 68 | D | 57 | Low | 51.7 | Low | 139 Ų | 139 | 138.2 Ų | 138.2 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | 165.3 | 128.8 | 104.8 | -114.6 | -76.1 | 0 | 0 | 0 | 109.2 | |||||
| 69 | L | 47.9 | Very low | 51.8 | Low | 240 Ų | 240 | 139.8 Ų | 139.8 | 100% | 1.257 | 80% | 0.799 | S | S | * | * | trans | 33.7 | 0 | 152.5 | -98.5 | 76.6 | 0 | 0 | 0 | 119.9 |
Retrieved 69 of 69 residues in 64.8 ms
(Link to these results)