| 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 | 56 | Low | 62.4 | Low | 226 Ų | 226 | 95.3 Ų | 95.3 | 100% | 1.113 | 61% | 0.605 | S | S | * | * | 0 | -20.6 | 0 | -69.3 | -175.7 | 170.6 | 0 | 0 | 113.7 | |||||
| 2 | S | 59.4 | Low | 63.1 | Low | 106 Ų | 106 | 100.8 Ų | 100.8 | 74% | 0.741 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.2 | -26 | 177.8 | -66.1 | 0 | 0 | 0 | 0 | 116.8 | A4 A5 A6 | S2-A4 PolarHBondContact O-N 2.96Å; S2-A5 PolarHBondContact O-N 3.2Å; S2-A6 PolarHBondContact O-N 3.31Å |
| 3 | T | 58.8 | Low | 63.8 | Low | 123 Ų | 123 | 99 Ų | 99 | 76% | 0.755 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.1 | -28.4 | -175.7 | 48.1 | 0 | 0 | 0 | 0 | 113.5 | A6 A7 | T3-A6 PolarHBondContact O-N 3.46Å; T3-A7 PolarHBondContact O-N 3.22Å |
| 4 | A | 59.2 | Low | 64.7 | Low | 70 Ų | 70 | 98.8 Ų | 98.8 | 58% | 0.579 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.8 | -34 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S2 S8 | S2-A4 PolarHBondContact O-N 2.96Å; A4-S8 PolarHBondContact O-N 3.35Å; A4-S8 PolarHBondContact O-OG 3.37Å |
| 5 | A | 59.5 | Low | 65.5 | Low | 60 Ų | 60 | 94.9 Ų | 94.9 | 50% | 0.496 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -71.7 | -31.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S2 S8 A9 | S2-A5 PolarHBondContact O-N 3.2Å; A5-S8 PolarHBondContact O-OG 3.28Å; A5-S8 VanDerWaalsContact O-OG 3.06Å; A5-A9 PolarHBondContact O-N 3.14Å |
| 6 | A | 61.6 | Low | 66.1 | Low | 60 Ų | 60 | 93.9 Ų | 93.9 | 50% | 0.496 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.9 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S2 T3 A9 V10 | S2-A6 PolarHBondContact O-N 3.31Å; T3-A6 PolarHBondContact O-N 3.46Å; A6-A9 PolarHBondContact O-N 3.46Å; A6-V10 WeakPolarHBondContact O-CG2 3.39Å; A6-V10 PolarHBondContact O-N 3.48Å |
| 7 | A | 62.7 | Low | 66.7 | Low | 45 Ų | 45 | 95.1 Ų | 95.1 | 37% | 0.372 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.4 | -44.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T3 A9 V10 F11 | T3-A7 PolarHBondContact O-N 3.22Å; A7-A9 VanDerWaalsContact C-N 3.32Å; A7-A9 PolarHBondContact O-N 3.41Å; A7-V10 PolarHBondContact O-N 3.35Å; A7-F11 HydrophobicContact CB-CE2 4.47Å; A7-F11 WeakPolarHBondContact O-CD2 3.37Å; A7-F11 PolarHBondContact O-N 3.27Å; A7-F11 VanDerWaalsContact O-N 3.07Å |
| 8 | S | 64.1 | Low | 67.4 | Low | 67 Ų | 67 | 97 Ų | 97 | 47% | 0.469 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.4 | -35 | 178.3 | 57.7 | 0 | 0 | 0 | 0 | 112.8 | A4 A5 F11 F12 | A4-S8 PolarHBondContact O-N 3.35Å; A4-S8 PolarHBondContact O-OG 3.37Å; A5-S8 PolarHBondContact O-OG 3.28Å; A5-S8 VanDerWaalsContact O-OG 3.06Å; S8-F11 PolarHBondContact O-N 3.48Å; S8-F12 WeakPolarHBondContact O-CB 3.32Å; S8-F12 PolarHBondContact O-N 3.37Å |
| 9 | A | 66.4 | Low | 67.9 | Low | 56 Ų | 56 | 95.7 Ų | 95.7 | 46% | 0.463 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.3 | -40.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A5 A6 A7 F12 S13 | A5-A9 PolarHBondContact O-N 3.14Å; A6-A9 PolarHBondContact O-N 3.46Å; A7-A9 VanDerWaalsContact C-N 3.32Å; A7-A9 PolarHBondContact O-N 3.41Å; A9-F12 PolarHBondContact O-N 3.43Å; A9-S13 PolarHBondContact O-N 3.32Å |
| 10 | V | 70 | Confident | 68.3 | Low | 85 Ų | 85 | 94.5 Ų | 94.5 | 52% | 0.515 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.8 | -41.1 | 178.2 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | A6 A7 S13 I14 | A6-V10 WeakPolarHBondContact O-CG2 3.39Å; A6-V10 PolarHBondContact O-N 3.48Å; A7-V10 PolarHBondContact O-N 3.35Å; V10-S13 PolarHBondContact O-N 3.48Å; V10-I14 HydrophobicContact CG1-CD1 3.73Å; V10-I14 HydrophobicContact CG1-CG1 4.36Å; V10-I14 VanDerWaalsContact O-CG1 3.31Å; V10-I14 WeakPolarHBondContact O-CG1 3.43Å; V10-I14 PolarHBondContact O-N 3.03Å |
| 11 | F | 69.1 | Low | 68.7 | Low | 150 Ų | 150 | 95.4 Ų | 95.4 | 66% | 0.658 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.1 | -36.7 | 175.2 | -73.1 | -67 | 0 | 0 | 0 | 112.6 | A7 S8 G15 | A7-F11 HydrophobicContact CB-CE2 4.47Å; A7-F11 WeakPolarHBondContact O-CD2 3.37Å; A7-F11 PolarHBondContact O-N 3.27Å; A7-F11 VanDerWaalsContact O-N 3.07Å; S8-F11 PolarHBondContact O-N 3.48Å; F11-G15 PolarHBondContact O-N 3.36Å |
| 12 | F | 70 | Confident | 69.8 | Low | 162 Ų | 162 | 89.7 Ų | 89.7 | 71% | 0.711 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.1 | -44.5 | 172.8 | -116.5 | -94.1 | 0 | 0 | 0 | 111.4 | S8 A9 G15 T16 | S8-F12 WeakPolarHBondContact O-CB 3.32Å; S8-F12 PolarHBondContact O-N 3.37Å; A9-F12 PolarHBondContact O-N 3.43Å; F12-G15 PolarHBondContact O-N 3.38Å; F12-T16 WeakPolarHBondContact O-CB 3.09Å; F12-T16 PolarHBondContact O-N 3.28Å; F12-T16 PolarHBondContact O-OG1 3.21Å |
| 13 | S | 72.5 | Confident | 70.6 | Confident | 77 Ų | 77 | 91 Ų | 91 | 54% | 0.538 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 177 | -83.7 | 0 | 0 | 0 | 0 | 113 | A9 V10 T16 L17 | A9-S13 PolarHBondContact O-N 3.32Å; V10-S13 PolarHBondContact O-N 3.48Å; S13-T16 PolarHBondContact O-N 3.2Å; S13-L17 PolarHBondContact O-N 3.48Å |
| 14 | I | 76.7 | Confident | 71.4 | Confident | 96 Ų | 96 | 88.6 Ų | 88.6 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 178.3 | -64.3 | 167.6 | 0 | 0 | 0 | 110.4 | V10 T16 L17 F18 | V10-I14 HydrophobicContact CG1-CD1 3.73Å; V10-I14 HydrophobicContact CG1-CG1 4.36Å; V10-I14 VanDerWaalsContact O-CG1 3.31Å; V10-I14 WeakPolarHBondContact O-CG1 3.43Å; V10-I14 PolarHBondContact O-N 3.03Å; I14-T16 VanDerWaalsContact C-N 3.31Å; I14-T16 PolarHBondContact O-N 3.14Å; I14-L17 PolarHBondContact O-N 3.27Å; I14-F18 WeakPolarHBondContact O-CB 3.48Å; I14-F18 PolarHBondContact O-N 3.06Å |
| 15 | G | 76.2 | Confident | 71.8 | Confident | 41 Ų | 41 | 88 Ų | 88 | 42% | 0.423 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -38.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F11 F12 F18 C19 | F11-G15 PolarHBondContact O-N 3.36Å; F12-G15 PolarHBondContact O-N 3.38Å; G15-F18 PolarHBondContact O-N 3.21Å; G15-C19 VanDerWaalsContact O-CB 3.24Å; G15-C19 WeakPolarHBondContact O-CB 3.37Å; G15-C19 PolarHBondContact O-N 3.38Å |
| 16 | T | 75.6 | Confident | 72.4 | Confident | 78 Ų | 78 | 90.7 Ų | 90.7 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.6 | -41 | 176.1 | -44.3 | 0 | 0 | 0 | 0 | 111 | F12 S13 I14 F18 C19 C20 | F12-T16 WeakPolarHBondContact O-CB 3.09Å; F12-T16 PolarHBondContact O-N 3.28Å; F12-T16 PolarHBondContact O-OG1 3.21Å; S13-T16 PolarHBondContact O-N 3.2Å; I14-T16 VanDerWaalsContact C-N 3.31Å; I14-T16 PolarHBondContact O-N 3.14Å; T16-F18 PolarHBondContact O-N 3.5Å; T16-C19 PolarHBondContact O-N 3.47Å; T16-C20 WeakPolarHBondContact O-CB 3.3Å; T16-C20 PolarHBondContact O-N 3.49Å; T16-C20 PolarHBondContact O-SG 3.47Å; T16-C20 VanDerWaalsContact O-SG 3.33Å |
| 17 | L | 75.4 | Confident | 72.6 | Confident | 115 Ų | 115 | 92.3 Ų | 92.3 | 60% | 0.602 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.3 | -42.7 | 174 | -119.6 | 95.6 | 0 | 0 | 0 | 111.9 | S13 I14 C20 L21 | S13-L17 PolarHBondContact O-N 3.48Å; I14-L17 PolarHBondContact O-N 3.27Å; L17-C20 PolarHBondContact O-N 2.97Å; L17-L21 WeakPolarHBondContact O-CB 3.31Å; L17-L21 VanDerWaalsContact O-CG 3.29Å; L17-L21 WeakPolarHBondContact O-CG 3.47Å; L17-L21 PolarHBondContact O-N 3.49Å |
| 18 | F | 79.9 | Confident | 72.8 | Confident | 129 Ų | 129 | 94.3 Ų | 94.3 | 57% | 0.566 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.7 | -38.7 | -179.9 | -142.1 | -100.4 | 0 | 0 | 0 | 111.5 | I14 G15 T16 L21 L22 | I14-F18 WeakPolarHBondContact O-CB 3.48Å; I14-F18 PolarHBondContact O-N 3.06Å; G15-F18 PolarHBondContact O-N 3.21Å; T16-F18 PolarHBondContact O-N 3.5Å; F18-L21 PolarHBondContact O-N 3.49Å; F18-L22 HydrophobicContact CD1-CD1 3.6Å; F18-L22 HydrophobicContact CD1-CG 4.09Å; F18-L22 HydrophobicContact CE1-CD1 3.48Å; F18-L22 VanDerWaalsContact CE1-CD1 3.48Å; F18-L22 HydrophobicContact CE1-CG 4.13Å; F18-L22 WeakPolarHBondContact O-CB 3.04Å; F18-L22 WeakPolarHBondContact O-CG 3.43Å; F18-L22 PolarHBondContact O-N 3.43Å |
| 19 | C | 77.4 | Confident | 72.5 | Confident | 73 Ų | 73 | 97.1 Ų | 97.1 | 49% | 0.493 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 171.2 | -166.2 | 0 | 0 | 0 | 0 | 110.2 | G15 T16 L21 L22 F23 | G15-C19 VanDerWaalsContact O-CB 3.24Å; G15-C19 WeakPolarHBondContact O-CB 3.37Å; G15-C19 PolarHBondContact O-N 3.38Å; T16-C19 PolarHBondContact O-N 3.47Å; C19-L21 PolarHBondContact O-N 2.96Å; C19-L22 PolarHBondContact O-N 3.04Å; C19-F23 WeakPolarHBondContact O-CA 3.24Å; C19-F23 WeakPolarHBondContact O-CB 3.29Å; C19-F23 PolarHBondContact O-N 3.14Å |
| 20 | C | 76.2 | Confident | 72.3 | Confident | 70 Ų | 70 | 102.9 Ų | 102.9 | 47% | 0.473 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 174 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | T16 L17 L22 V24 | T16-C20 WeakPolarHBondContact O-CB 3.3Å; T16-C20 PolarHBondContact O-N 3.49Å; T16-C20 PolarHBondContact O-SG 3.47Å; T16-C20 VanDerWaalsContact O-SG 3.33Å; L17-C20 PolarHBondContact O-N 2.97Å; C20-L22 PolarHBondContact O-N 3.45Å; C20-V24 HydrophobicContact CB-CG2 4.41Å; C20-V24 WeakPolarHBondContact O-CB 3.28Å; C20-V24 WeakPolarHBondContact O-CG2 3.31Å; C20-V24 PolarHBondContact O-N 3.46Å; C20-V24 VanDerWaalsContact O-N 3.11Å |
| 21 | L | 76.5 | Confident | 71.7 | Confident | 115 Ų | 115 | 103.5 Ų | 103.5 | 60% | 0.602 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.2 | -27.6 | -177.7 | -75.4 | 168.6 | 0 | 0 | 0 | 114 | L17 F18 C19 P25 | L17-L21 WeakPolarHBondContact O-CB 3.31Å; L17-L21 VanDerWaalsContact O-CG 3.29Å; L17-L21 WeakPolarHBondContact O-CG 3.47Å; L17-L21 PolarHBondContact O-N 3.49Å; F18-L21 PolarHBondContact O-N 3.49Å; C19-L21 PolarHBondContact O-N 2.96Å; L21-P25 WeakPolarHBondContact O-CD 3.41Å; L21-P25 WeakPolarHBondContact O-CG 3.29Å |
| 22 | L | 79.2 | Confident | 71.1 | Confident | 106 Ų | 106 | 99.5 Ų | 99.5 | 56% | 0.555 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -97.4 | -38.9 | 178.9 | -66.2 | -174.9 | 0 | 0 | 0 | 113.3 | F18 C19 C20 P25 | F18-L22 HydrophobicContact CD1-CD1 3.6Å; F18-L22 HydrophobicContact CD1-CG 4.09Å; F18-L22 HydrophobicContact CE1-CD1 3.48Å; F18-L22 VanDerWaalsContact CE1-CD1 3.48Å; F18-L22 HydrophobicContact CE1-CG 4.13Å; F18-L22 WeakPolarHBondContact O-CB 3.04Å; F18-L22 WeakPolarHBondContact O-CG 3.43Å; F18-L22 PolarHBondContact O-N 3.43Å; C19-L22 PolarHBondContact O-N 3.04Å; C20-L22 PolarHBondContact O-N 3.45Å; L22-P25 WeakPolarHBondContact O-CG 3.48Å |
| 23 | F | 74.9 | Confident | 70.5 | Confident | 133 Ų | 133 | 97.8 Ų | 97.8 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -81.8 | -32.5 | -175.9 | -123.8 | -94.5 | 0 | 0 | 0 | 112.2 | C19 M26 L27 | C19-F23 WeakPolarHBondContact O-CA 3.24Å; C19-F23 WeakPolarHBondContact O-CB 3.29Å; C19-F23 PolarHBondContact O-N 3.14Å; F23-M26 PolarHBondContact O-N 3.31Å; F23-L27 HydrophobicContact CD1-CD1 3.91Å; F23-L27 HydrophobicContact CD1-CG 4.41Å; F23-L27 VanDerWaalsContact O-CB 3.29Å; F23-L27 WeakPolarHBondContact O-CB 3.39Å; F23-L27 PolarHBondContact O-N 3.2Å |
| 24 | V | 75.3 | Confident | 69.6 | Low | 72 Ų | 72 | 97.9 Ų | 97.9 | 44% | 0.436 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 176.6 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | C20 M26 L27 I28 | C20-V24 HydrophobicContact CB-CG2 4.41Å; C20-V24 WeakPolarHBondContact O-CB 3.28Å; C20-V24 WeakPolarHBondContact O-CG2 3.31Å; C20-V24 PolarHBondContact O-N 3.46Å; C20-V24 VanDerWaalsContact O-N 3.11Å; V24-M26 VanDerWaalsContact C-N 3.3Å; V24-M26 PolarHBondContact O-N 3.23Å; V24-L27 PolarHBondContact O-N 3.44Å; V24-I28 HydrophobicContact CG1-CD1 3.6Å; V24-I28 HydrophobicContact CG1-CG1 4.21Å; V24-I28 WeakPolarHBondContact O-CB 3.42Å; V24-I28 WeakPolarHBondContact O-CG1 3.12Å; V24-I28 PolarHBondContact O-N 3.46Å |
| 25 | P | 69.5 | Low | 68.3 | Low | 57 Ų | 57 | 100.3 Ų | 100.3 | 37% | 0.37 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.5 | -32.2 | 176.3 | 22.6 | -31 | 0 | 0 | 0 | 112.8 | L21 L22 I28 Q29 | L21-P25 WeakPolarHBondContact O-CD 3.41Å; L21-P25 WeakPolarHBondContact O-CG 3.29Å; L22-P25 WeakPolarHBondContact O-CG 3.48Å; P25-I28 PolarHBondContact O-N 3.27Å; P25-Q29 WeakPolarHBondContact O-CB 3.49Å; P25-Q29 PolarHBondContact O-N 2.88Å |
| 26 | M | 71.8 | Confident | 66.9 | Low | 117 Ų | 117 | 105.4 Ų | 105.4 | 58% | 0.576 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -72 | -36.4 | 176.7 | -142.8 | -110.4 | 168.3 | 0 | 0 | 112.1 | F23 V24 Q29 R30 | F23-M26 PolarHBondContact O-N 3.31Å; V24-M26 VanDerWaalsContact C-N 3.3Å; V24-M26 PolarHBondContact O-N 3.23Å; M26-Q29 PolarHBondContact O-N 3.07Å; M26-R30 WeakPolarHBondContact O-CB 3.4Å; M26-R30 PolarHBondContact O-N 3.42Å |
| 27 | L | 65.9 | Low | 65.5 | Low | 94 Ų | 94 | 109.2 Ų | 109.2 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.5 | -38.1 | 169.2 | -93.4 | 157.6 | 0 | 0 | 0 | 111.7 | F23 V24 R30 M31 | F23-L27 HydrophobicContact CD1-CD1 3.91Å; F23-L27 HydrophobicContact CD1-CG 4.41Å; F23-L27 VanDerWaalsContact O-CB 3.29Å; F23-L27 WeakPolarHBondContact O-CB 3.39Å; F23-L27 PolarHBondContact O-N 3.2Å; V24-L27 PolarHBondContact O-N 3.44Å; L27-R30 PolarHBondContact O-N 3.19Å; L27-M31 WeakPolarHBondContact O-CB 2.99Å; L27-M31 WeakPolarHBondContact O-CG 3.03Å; L27-M31 PolarHBondContact O-N 3.37Å |
| 28 | I | 65.9 | Low | 64.2 | Low | 87 Ų | 87 | 108.2 Ų | 108.2 | 45% | 0.446 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 173.6 | -69.6 | 165.7 | 0 | 0 | 0 | 109.4 | V24 P25 R30 M31 D32 | V24-I28 HydrophobicContact CG1-CD1 3.6Å; V24-I28 HydrophobicContact CG1-CG1 4.21Å; V24-I28 WeakPolarHBondContact O-CB 3.42Å; V24-I28 WeakPolarHBondContact O-CG1 3.12Å; V24-I28 PolarHBondContact O-N 3.46Å; P25-I28 PolarHBondContact O-N 3.27Å; I28-R30 VanDerWaalsContact C-N 3.32Å; I28-R30 PolarHBondContact O-N 3.41Å; I28-M31 CarbonylContact O-C 3.41Å; I28-M31 PolarHBondContact O-N 3.49Å; I28-M31 VanDerWaalsContact O-N 3.14Å; I28-D32 WeakPolarHBondContact CG2-OD2 3.48Å; I28-D32 WeakPolarHBondContact O-CB 3.17Å; I28-D32 PolarHBondContact O-N 2.98Å; I28-D32 VanDerWaalsContact O-OD2 3.1Å |
| 29 | Q | 58.3 | Low | 62.7 | Low | 126 Ų | 126 | 113 Ų | 113 | 59% | 0.589 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.2 | -35.2 | 174.9 | -96.5 | 164.2 | -50.2 | 0 | 0 | 113.2 | P25 M26 N33 | P25-Q29 WeakPolarHBondContact O-CB 3.49Å; P25-Q29 PolarHBondContact O-N 2.88Å; M26-Q29 PolarHBondContact O-N 3.07Å; Q29-N33 VanDerWaalsContact O-CG 3.27Å; Q29-N33 PolarHBondContact O-N 2.97Å; Q29-N33 VanDerWaalsContact O-N 3.07Å; Q29-N33 PolarHBondContact O-ND2 3.42Å; Q29-N33 VanDerWaalsContact O-ND2 3.1Å |
| 30 | R | 62.6 | Low | 61.4 | Low | 177 Ų | 177 | 114.2 Ų | 114.2 | 67% | 0.668 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -73.1 | -34.9 | 175 | -160.7 | 173.8 | -174.3 | 138.5 | 0.7 | 111.8 | M26 L27 I28 V34 | M26-R30 WeakPolarHBondContact O-CB 3.4Å; M26-R30 PolarHBondContact O-N 3.42Å; L27-R30 PolarHBondContact O-N 3.19Å; I28-R30 VanDerWaalsContact C-N 3.32Å; I28-R30 PolarHBondContact O-N 3.41Å; R30-V34 WeakPolarHBondContact O-CG2 3.29Å; R30-V34 PolarHBondContact O-N 3.44Å |
| 31 | M | 57 | Low | 60 | Low | 98 Ų | 98 | 115.7 Ų | 115.7 | 48% | 0.483 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.1 | -32.8 | 172.7 | -78.6 | -110.9 | 47.3 | 0 | 0 | 111.6 | L27 I28 V34 R35 | L27-M31 WeakPolarHBondContact O-CB 2.99Å; L27-M31 WeakPolarHBondContact O-CG 3.03Å; L27-M31 PolarHBondContact O-N 3.37Å; I28-M31 CarbonylContact O-C 3.41Å; I28-M31 PolarHBondContact O-N 3.49Å; I28-M31 VanDerWaalsContact O-N 3.14Å; M31-V34 CarbonylContact O-C 3.46Å; M31-V34 PolarHBondContact O-N 2.92Å; M31-R35 WeakPolarHBondContact O-CA 3.41Å; M31-R35 WeakPolarHBondContact O-CB 3.16Å; M31-R35 PolarHBondContact O-N 3.46Å |
| 32 | D | 56.3 | Low | 59 | Low | 66 Ų | 66 | 116.5 Ų | 116.5 | 35% | 0.353 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.7 | -36.3 | 174.8 | -68.3 | -29.9 | 0 | 0 | 0 | 111.1 | I28 V34 R35 L36 | I28-D32 WeakPolarHBondContact CG2-OD2 3.48Å; I28-D32 WeakPolarHBondContact O-CB 3.17Å; I28-D32 PolarHBondContact O-N 2.98Å; I28-D32 VanDerWaalsContact O-OD2 3.1Å; D32-V34 VanDerWaalsContact C-N 3.28Å; D32-V34 PolarHBondContact O-N 3.31Å; D32-R35 PolarHBondContact O-N 2.95Å; D32-L36 PolarHBondContact O-N 3.47Å |
| 33 | N | 56.4 | Low | 57.8 | Low | 127 Ų | 127 | 117 Ų | 117 | 68% | 0.679 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.7 | -23.6 | 170.9 | -71.8 | -32.1 | 0 | 0 | 0 | 113.3 | Q29 | Q29-N33 VanDerWaalsContact O-CG 3.27Å; Q29-N33 PolarHBondContact O-N 2.97Å; Q29-N33 VanDerWaalsContact O-N 3.07Å; Q29-N33 PolarHBondContact O-ND2 3.42Å; Q29-N33 VanDerWaalsContact O-ND2 3.1Å |
| 34 | V | 54.7 | Low | 56.9 | Low | 79 Ų | 79 | 116.9 Ų | 116.9 | 48% | 0.479 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -93.9 | -26.9 | 172.9 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | R30 M31 D32 L36 D37 | R30-V34 WeakPolarHBondContact O-CG2 3.29Å; R30-V34 PolarHBondContact O-N 3.44Å; M31-V34 CarbonylContact O-C 3.46Å; M31-V34 PolarHBondContact O-N 2.92Å; D32-V34 VanDerWaalsContact C-N 3.28Å; D32-V34 PolarHBondContact O-N 3.31Å; V34-L36 PolarHBondContact O-N 3.44Å; V34-D37 PolarHBondContact O-N 3.28Å; V34-D37 VanDerWaalsContact O-N 3.13Å |
| 35 | R | 48.5 | Very low | 55.9 | Low | 147 Ų | 147 | 119.6 Ų | 119.6 | 56% | 0.555 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.4 | -13.6 | 176.5 | -111.6 | 178.9 | 167.5 | 155.7 | -2 | 112.7 | M31 D32 D37 I38 | M31-R35 WeakPolarHBondContact O-CA 3.41Å; M31-R35 WeakPolarHBondContact O-CB 3.16Å; M31-R35 PolarHBondContact O-N 3.46Å; D32-R35 PolarHBondContact O-N 2.95Å; R35-D37 PolarHBondContact O-N 3.06Å; R35-I38 CarbonylContact O-C 3.5Å; R35-I38 PolarHBondContact O-N 3.45Å |
| 36 | L | 48 | Very low | 55.2 | Low | 147 Ų | 147 | 121.9 Ų | 121.9 | 77% | 0.77 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -23.8 | 168.4 | -111.1 | 94.5 | 0 | 0 | 0 | 112.6 | D32 V34 | D32-L36 PolarHBondContact O-N 3.47Å; V34-L36 PolarHBondContact O-N 3.44Å |
| 37 | D | 46.8 | Very low | 54.7 | Low | 158 Ų | 158 | 120.9 Ų | 120.9 | 85% | 0.845 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -99.7 | -10.1 | 174.8 | -83.5 | -29.7 | 0 | 0 | 0 | 114 | V34 R35 | V34-D37 PolarHBondContact O-N 3.28Å; V34-D37 VanDerWaalsContact O-N 3.13Å; R35-D37 PolarHBondContact O-N 3.06Å |
| 38 | I | 46.6 | Very low | 54.3 | Low | 94 Ų | 94 | 120.5 Ų | 120.5 | 48% | 0.482 | 59% | 0.586 | S | S | . | * | trans | -119.2 | 67.4 | 175.6 | -40 | 178.4 | 0 | 0 | 0 | 108.6 | R35 I40 | R35-I38 CarbonylContact O-C 3.5Å; R35-I38 PolarHBondContact O-N 3.45Å; I38-I40 HydrophobicContact CG2-CD1 4.15Å; I38-I40 HydrophobicContact CG2-CG1 3.49Å; I38-I40 VanDerWaalsContact CG2-CG1 3.49Å; I38-I40 PolarHBondContact O-N 2.89Å | ||
| 39 | R | 48 | Very low | 54 | Low | 230 Ų | 230 | 118.5 Ų | 118.5 | 87% | 0.868 | 58% | 0.582 | S | S | * | * | trans | -64.6 | 82.9 | 153.9 | -81.1 | -175.2 | 175.8 | 166.3 | -0.2 | 107 | D41 | R39-D41 PolarHBondContact O-N 2.62Š| ||
| 40 | I | 50.6 | Low | 54.2 | Low | 99 Ų | 99 | 118.6 Ų | 118.6 | 51% | 0.508 | 58% | 0.582 | S | S | . | * | trans | -61.9 | 114.9 | 157.7 | -53.6 | -176.1 | 0 | 0 | 0 | 104.3 | I38 M42 F45 | I38-I40 HydrophobicContact CG2-CD1 4.15Å; I38-I40 HydrophobicContact CG2-CG1 3.49Å; I38-I40 VanDerWaalsContact CG2-CG1 3.49Å; I38-I40 PolarHBondContact O-N 2.89Å; I40-M42 PolarHBondContact O-N 2.91Å; I40-F45 HydrophobicContact CG2-CD2 4.31Å; I40-F45 HydrophobicContact CG2-CE2 4.14Å | ||
| 41 | D | 46.6 | Very low | 54.2 | Low | 100 Ų | 100 | 115.2 Ų | 115.2 | 54% | 0.535 | 58% | 0.577 | S | S | . | * | trans | -46 | 106.5 | 177.1 | -92.6 | -58.8 | 0 | 0 | 0 | 109.6 | R39 D43 E44 | R39-D41 PolarHBondContact O-N 2.62Å; D41-D43 HydrophobicContact CB-CB 4.45Å; D41-D43 PolarHBondContact O-N 2.94Å; D41-D43 VanDerWaalsContact O-N 3.13Å; D41-E44 HydrophobicContact CB-CB 4.44Å; D41-E44 PolarHBondContact O-N 3.26Å | ||
| 42 | M | 56 | Low | 54.4 | Low | 132 Ų | 132 | 115.3 Ų | 115.3 | 65% | 0.65 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.7 | -14.8 | 168.2 | -80 | -75.2 | 169.3 | 0 | 0 | 111.1 | I40 N46 | I40-M42 PolarHBondContact O-N 2.91Å; M42-N46 WeakPolarHBondContact O-CB 3.16Å; M42-N46 PolarHBondContact O-N 3.43Å |
| 43 | D | 53.3 | Low | 54.5 | Low | 117 Ų | 117 | 118.4 Ų | 118.4 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67 | -33 | 170.8 | -66.4 | -23.7 | 0 | 0 | 0 | 111.9 | D41 V47 | D41-D43 HydrophobicContact CB-CB 4.45Å; D41-D43 PolarHBondContact O-N 2.94Å; D41-D43 VanDerWaalsContact O-N 3.13Å; D43-V47 VanDerWaalsContact O-CG2 3.29Å; D43-V47 WeakPolarHBondContact O-CG2 3.07Å; D43-V47 PolarHBondContact O-N 3.49Å |
| 44 | E | 56.8 | Low | 54.7 | Low | 130 Ų | 130 | 118.1 Ų | 118.1 | 61% | 0.607 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -78.1 | -36.4 | 178.2 | -161.4 | 170.2 | -171 | 0 | 0 | 111.9 | D41 V47 I48 | D41-E44 HydrophobicContact CB-CB 4.44Å; D41-E44 PolarHBondContact O-N 3.26Å; E44-V47 PolarHBondContact O-N 2.87Å; E44-I48 WeakPolarHBondContact O-CD1 3.47Å; E44-I48 VanDerWaalsContact O-CG1 3.28Å; E44-I48 WeakPolarHBondContact O-CG1 3.06Å; E44-I48 PolarHBondContact O-N 3.33Å |
| 45 | F | 54.6 | Low | 54.8 | Low | 130 Ų | 130 | 120.9 Ų | 120.9 | 57% | 0.57 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.4 | -33.7 | 173.9 | -92.9 | -82.6 | 0 | 0 | 0 | 113.3 | I40 I48 A49 | I40-F45 HydrophobicContact CG2-CD2 4.31Å; I40-F45 HydrophobicContact CG2-CE2 4.14Å; F45-I48 PolarHBondContact O-N 3.41Å; F45-A49 VanDerWaalsContact O-CB 3.31Å; F45-A49 WeakPolarHBondContact O-CB 3.37Å; F45-A49 PolarHBondContact O-N 3.42Å |
| 46 | N | 55.4 | Low | 55 | Low | 104 Ų | 104 | 119 Ų | 119 | 56% | 0.556 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.1 | -32.4 | 175.1 | -87.4 | -13.3 | 0 | 0 | 0 | 112.4 | M42 A49 E50 | M42-N46 WeakPolarHBondContact O-CB 3.16Å; M42-N46 PolarHBondContact O-N 3.43Å; N46-A49 PolarHBondContact O-N 2.87Å; N46-E50 PolarHBondContact O-N 3.45Å |
| 47 | V | 60.2 | Low | 55.3 | Low | 97 Ų | 97 | 119.4 Ų | 119.4 | 59% | 0.588 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.9 | -41 | 173 | 172.1 | 0 | 0 | 0 | 0 | 111 | D43 E44 E50 D51 | D43-V47 VanDerWaalsContact O-CG2 3.29Å; D43-V47 WeakPolarHBondContact O-CG2 3.07Å; D43-V47 PolarHBondContact O-N 3.49Å; E44-V47 PolarHBondContact O-N 2.87Å; V47-E50 PolarHBondContact O-N 2.98Å; V47-D51 PolarHBondContact O-N 3.39Å; V47-D51 VanDerWaalsContact O-N 3.14Å |
| 48 | I | 59 | Low | 55.7 | Low | 86 Ų | 86 | 118.2 Ų | 118.2 | 44% | 0.441 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.7 | -36.2 | 176.7 | -59.8 | 162.3 | 0 | 0 | 0 | 111.2 | E44 F45 D51 I52 | E44-I48 WeakPolarHBondContact O-CD1 3.47Å; E44-I48 VanDerWaalsContact O-CG1 3.28Å; E44-I48 WeakPolarHBondContact O-CG1 3.06Å; E44-I48 PolarHBondContact O-N 3.33Å; F45-I48 PolarHBondContact O-N 3.41Å; I48-D51 PolarHBondContact O-N 3.38Å; I48-I52 HydrophobicContact CG2-CD1 3.9Å; I48-I52 VanDerWaalsContact O-CG1 3.3Å; I48-I52 WeakPolarHBondContact O-CG1 3.37Å; I48-I52 PolarHBondContact O-N 2.96Å |
| 49 | A | 58.7 | Low | 55.9 | Low | 45 Ų | 45 | 124 Ų | 124 | 37% | 0.372 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.4 | -38.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F45 N46 M53 | F45-A49 VanDerWaalsContact O-CB 3.31Å; F45-A49 WeakPolarHBondContact O-CB 3.37Å; F45-A49 PolarHBondContact O-N 3.42Å; N46-A49 PolarHBondContact O-N 2.87Å; A49-M53 WeakPolarHBondContact O-CB 3.16Å; A49-M53 WeakPolarHBondContact O-CG 3.34Å; A49-M53 PolarHBondContact O-N 3.31Å |
| 50 | E | 61.3 | Low | 55.6 | Low | 127 Ų | 127 | 116.3 Ų | 116.3 | 59% | 0.593 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.5 | -34.5 | 174.1 | -78.1 | -155.1 | 168.9 | 0 | 0 | 112.9 | N46 V47 M53 K54 | N46-E50 PolarHBondContact O-N 3.45Å; V47-E50 PolarHBondContact O-N 2.98Å; E50-M53 PolarHBondContact O-N 2.85Å; E50-K54 WeakPolarHBondContact O-CB 3.48Å; E50-K54 WeakPolarHBondContact O-CG 3.37Å; E50-K54 PolarHBondContact O-N 3.43Å |
| 51 | D | 62.9 | Low | 55.4 | Low | 106 Ų | 106 | 121 Ų | 121 | 57% | 0.567 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.6 | -38.8 | 175.4 | -105.2 | 7.3 | 0 | 0 | 0 | 112.4 | V47 I48 K54 E55 | V47-D51 PolarHBondContact O-N 3.39Å; V47-D51 VanDerWaalsContact O-N 3.14Å; I48-D51 PolarHBondContact O-N 3.38Å; D51-K54 PolarHBondContact O-N 3.43Å; D51-E55 PolarHBondContact O-N 2.81Å; D51-E55 VanDerWaalsContact O-N 3.14Å |
| 52 | I | 62.3 | Low | 55.2 | Low | 100 Ų | 100 | 122.1 Ų | 122.1 | 51% | 0.513 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69 | -35.2 | 174.6 | -66.3 | 169.4 | 0 | 0 | 0 | 111.1 | I48 L56 | I48-I52 HydrophobicContact CG2-CD1 3.9Å; I48-I52 VanDerWaalsContact O-CG1 3.3Å; I48-I52 WeakPolarHBondContact O-CG1 3.37Å; I48-I52 PolarHBondContact O-N 2.96Å; I52-L56 HydrophobicContact CG2-CD1 4.25Å; I52-L56 WeakPolarHBondContact O-CG 3.43Å; I52-L56 PolarHBondContact O-N 3.44Å |
| 53 | M | 58.4 | Low | 54.8 | Low | 131 Ų | 131 | 122.7 Ų | 122.7 | 65% | 0.645 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -73.7 | -31.2 | 177.7 | -69 | -74.5 | -79.2 | 0 | 0 | 112.4 | A49 E50 L56 E57 | A49-M53 WeakPolarHBondContact O-CB 3.16Å; A49-M53 WeakPolarHBondContact O-CG 3.34Å; A49-M53 PolarHBondContact O-N 3.31Å; E50-M53 PolarHBondContact O-N 2.85Å; M53-L56 PolarHBondContact O-N 3.11Å; M53-E57 PolarHBondContact O-N 3.33Å |
| 54 | K | 60 | Low | 54 | Low | 122 Ų | 122 | 126.8 Ų | 126.8 | 53% | 0.53 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -70 | -34.9 | 171.9 | -82.2 | 172.8 | -176.8 | 157 | 0 | 113.2 | E50 D51 L56 E57 | E50-K54 WeakPolarHBondContact O-CB 3.48Å; E50-K54 WeakPolarHBondContact O-CG 3.37Å; E50-K54 PolarHBondContact O-N 3.43Å; D51-K54 PolarHBondContact O-N 3.43Å; K54-L56 VanDerWaalsContact C-N 3.32Å; K54-E57 PolarHBondContact O-N 3.13Å |
| 55 | E | 57.7 | Low | 53.4 | Low | 137 Ų | 137 | 129.5 Ų | 129.5 | 64% | 0.64 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.5 | -32 | 171.9 | -95.6 | -71.7 | 157 | 0 | 0 | 112.4 | D51 | D51-E55 PolarHBondContact O-N 2.81Å; D51-E55 VanDerWaalsContact O-N 3.14Å |
| 56 | L | 52.2 | Low | 53 | Low | 106 Ų | 106 | 128.4 Ų | 128.4 | 56% | 0.555 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -78.9 | -17 | 176.7 | -69.2 | 170.9 | 0 | 0 | 0 | 113.7 | I52 M53 K54 I58 R59 | I52-L56 HydrophobicContact CG2-CD1 4.25Å; I52-L56 WeakPolarHBondContact O-CG 3.43Å; I52-L56 PolarHBondContact O-N 3.44Å; M53-L56 PolarHBondContact O-N 3.11Å; K54-L56 VanDerWaalsContact C-N 3.32Å; L56-I58 PolarHBondContact O-N 2.92Å; L56-R59 PolarHBondContact O-N 3.39Å |
| 57 | E | 54.7 | Low | 52.6 | Low | 157 Ų | 157 | 127.7 Ų | 127.7 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -74.2 | -13.2 | 177.2 | -149.4 | 165.7 | -167.5 | 0 | 0 | 113.1 | M53 K54 R59 | M53-E57 PolarHBondContact O-N 3.33Å; K54-E57 PolarHBondContact O-N 3.13Å; E57-R59 PolarHBondContact O-N 3.45Å |
| 58 | I | 55.1 | Low | 51.8 | Low | 132 Ų | 132 | 133 Ų | 133 | 68% | 0.677 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -71.7 | -11.4 | 171.6 | -53.3 | 176.2 | 0 | 0 | 0 | 111.3 | L56 | L56-I58 PolarHBondContact O-N 2.92Š|
| 59 | R | 49.5 | Very low | 51.3 | Low | 216 Ų | 216 | 137.2 Ų | 137.2 | 82% | 0.815 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -107.4 | 46 | 174 | -67.7 | -174.7 | 177.3 | -176.7 | 0.9 | 113.4 | L56 E57 K61 | L56-R59 PolarHBondContact O-N 3.39Å; E57-R59 PolarHBondContact O-N 3.45Å; R59-K61 PolarHBondContact O-N 2.82Å |
| 60 | G | 41.7 | Very low | 50.7 | Low | 68 Ų | 68 | 146.8 Ų | 146.8 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | trans | 54 | 36.6 | 136.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 61 | K | 47.1 | Very low | 49.9 | Very low | 197 Ų | 197 | 146.6 Ų | 146.6 | 86% | 0.857 | 73% | 0.734 | S | S | * | * | trans | -144.1 | 116.5 | 166.4 | -68.7 | -168.3 | -180 | -177.1 | 0 | 112.8 | R59 | R59-K61 PolarHBondContact O-N 2.82Š| ||
| 62 | P | 42.2 | Very low | 49 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | trans | -100.9 | 109.8 | 175.8 | 34.3 | -24.8 | 0 | 0 | 0 | 110.7 | ||||
| 63 | V | 47.1 | Very low | 48.3 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 87% | 0.873 | 75% | 0.754 | S | S | * | * | trans | -150.4 | 95.7 | 163.3 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 64 | Y | 37.8 | Very low | 47.7 | Very low | 203 Ų | 203 | 153.4 Ų | 153.4 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | -178.6 | 114.8 | 129.9 | -165.2 | -106.1 | 0 | 0 | 0 | 109.6 | |||||
| 65 | Q | 43.5 | Very low | 47.2 | Very low | 187 Ų | 187 | 154.4 Ų | 154.4 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -96.5 | 124.9 | 170.8 | -75 | -178.8 | -9.2 | 0 | 0 | 109.3 | ||||
| 66 | P | 47.3 | Very low | 46.8 | Very low | 106 Ų | 106 | 152.2 Ų | 152.2 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | trans | -93.1 | 140 | 155 | 27.2 | -17.3 | 0 | 0 | 0 | 110.8 | ||||
| 67 | A | 46.5 | Very low | 46.6 | Very low | 89 Ų | 89 | 152.7 Ų | 152.7 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | -26.3 | 131.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | H69 | A67-H69 VanDerWaalsContact C-N 3.28Å; A67-H69 PolarHBondContact O-N 3.3Å | ||
| 68 | K | 42.5 | Very low | 46.4 | Very low | 210 Ų | 210 | 152.3 Ų | 152.3 | 91% | 0.913 | 78% | 0.783 | S | S | * | * | trans | -62 | 85.9 | 162.3 | -68.2 | 178.6 | 179.4 | 178 | 0 | 109.7 | R70 | K68-R70 PolarHBondContact O-N 3.38Š| ||
| 69 | H | 48.4 | Very low | 46.1 | Very low | 174 Ų | 174 | 151.3 Ų | 151.3 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | trans | -68.8 | 117.9 | 152.3 | -96.4 | -50.2 | 0 | 0 | 0 | 107.6 | A67 V71 | A67-H69 VanDerWaalsContact C-N 3.28Å; A67-H69 PolarHBondContact O-N 3.3Å; H69-V71 PolarHBondContact O-N 2.82Å | ||
| 70 | R | 46.3 | Very low | 46 | Very low | 246 Ų | 246 | 149.1 Ų | 149.1 | 93% | 0.928 | 79% | 0.786 | S | S | * | * | trans | -59.2 | 81.3 | 172.3 | -150.2 | -178.1 | -157.7 | 178.7 | 4.4 | 107.8 | K68 A72 | K68-R70 PolarHBondContact O-N 3.38Å; R70-A72 PolarHBondContact O-N 2.78Å | ||
| 71 | V | 45.8 | Very low | 46.2 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | trans | -68.5 | 94.6 | 163.5 | -179.9 | 0 | 0 | 0 | 0 | 104.6 | H69 R73 | H69-V71 PolarHBondContact O-N 2.82Å; V71-R73 VanDerWaalsContact C-N 3.28Å; V71-R73 PolarHBondContact O-N 3.37Å | ||
| 72 | A | 44 | Very low | 46.4 | Very low | 80 Ų | 80 | 146.4 Ų | 146.4 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | trans | -52.3 | 105.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | R70 Q74 | R70-A72 PolarHBondContact O-N 2.78Å; A72-Q74 PolarHBondContact O-N 3.34Å | ||
| 73 | R | 47.4 | Very low | 47 | Very low | 225 Ų | 225 | 150 Ų | 150 | 85% | 0.849 | 77% | 0.771 | S | S | * | * | trans | -61.8 | 85.5 | 159.9 | -74 | -175.5 | 176.9 | -176.3 | -1.2 | 105.3 | V71 I75 | V71-R73 VanDerWaalsContact C-N 3.28Å; V71-R73 PolarHBondContact O-N 3.37Å; R73-I75 HydrophobicContact CB-CG1 4.38Å; R73-I75 PolarHBondContact O-N 3.34Å | ||
| 74 | Q | 44.6 | Very low | 47.4 | Very low | 174 Ų | 174 | 150.9 Ų | 150.9 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -58.3 | 94.2 | 144.3 | -84.4 | 178.9 | -53.3 | 0 | 0 | 104.5 | A72 S76 | A72-Q74 PolarHBondContact O-N 3.34Å; Q74-S76 PolarHBondContact O-N 2.74Å | ||
| 75 | I | 49.5 | Very low | 48.2 | Very low | 143 Ų | 143 | 145.9 Ų | 145.9 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | -62.3 | 89.6 | 157.6 | -63.7 | 169.7 | 0 | 0 | 0 | 103.2 | R73 | R73-I75 HydrophobicContact CB-CG1 4.38Å; R73-I75 PolarHBondContact O-N 3.34Å | ||
| 76 | S | 49.2 | Very low | 49.1 | Very low | 92 Ų | 92 | 141.6 Ų | 141.6 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | trans | -50 | 133 | 160.7 | -54.8 | 0 | 0 | 0 | 0 | 106.3 | Q74 L78 | Q74-S76 PolarHBondContact O-N 2.74Å; S76-L78 PolarHBondContact O-N 3.18Å; S76-L78 VanDerWaalsContact O-N 3.12Å | ||
| 77 | P | 49.4 | Very low | 49.8 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 75% | 0.747 | 73% | 0.73 | S | S | * | * | trans | -55.1 | 127.6 | -178.9 | 24.8 | -31.8 | 0 | 0 | 0 | 107.3 | C79 | P77-C79 PolarHBondContact O-N 2.84Š| ||
| 78 | L | 50.2 | Low | 50.7 | Low | 150 Ų | 150 | 137.3 Ų | 137.3 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | -37.7 | 116 | 169 | -76.4 | 145 | 0 | 0 | 0 | 108.6 | S76 Q80 | S76-L78 PolarHBondContact O-N 3.18Å; S76-L78 VanDerWaalsContact O-N 3.12Å; L78-Q80 PolarHBondContact O-N 2.84Å | ||
| 79 | C | 48.4 | Very low | 52 | Low | 110 Ų | 110 | 131.2 Ų | 131.2 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | trans | -60.3 | 94.7 | 167 | -68.2 | 0 | 0 | 0 | 0 | 107.1 | P77 C81 | P77-C79 PolarHBondContact O-N 2.84Å; C79-C81 PolarHBondContact O-N 3.3Å | ||
| 80 | Q | 46.4 | Very low | 53.2 | Low | 171 Ų | 171 | 123.2 Ų | 123.2 | 80% | 0.799 | 67% | 0.665 | S | S | * | * | trans | -70.8 | 88.2 | 165.7 | -75.4 | 169 | -24.2 | 0 | 0 | 106.4 | L78 E82 | L78-Q80 PolarHBondContact O-N 2.84Å; Q80-E82 VanDerWaalsContact C-N 3.28Å; Q80-E82 PolarHBondContact O-N 2.81Å; Q80-E82 VanDerWaalsContact O-N 3.09Å | ||
| 81 | C | 47.1 | Very low | 54.7 | Low | 67 Ų | 67 | 115.6 Ų | 115.6 | 45% | 0.453 | 65% | 0.647 | S | S | . | * | trans | -74.7 | 90.4 | 163.2 | -58.7 | 0 | 0 | 0 | 0 | 106.5 | C79 | C79-C81 PolarHBondContact O-N 3.3Š| ||
| 82 | E | 51.4 | Low | 56.5 | Low | 141 Ų | 141 | 115.6 Ų | 115.6 | 66% | 0.659 | 64% | 0.639 | S | S | * | * | trans | -54 | 140.3 | 161.6 | -112 | 164.5 | 111.8 | 0 | 0 | 108.5 | Q80 D84 N85 | Q80-E82 VanDerWaalsContact C-N 3.28Å; Q80-E82 PolarHBondContact O-N 2.81Å; Q80-E82 VanDerWaalsContact O-N 3.09Å; E82-D84 PolarHBondContact O-N 3.5Å; E82-N85 VanDerWaalsContact CB-ND2 3.29Å; E82-N85 WeakPolarHBondContact CB-ND2 3.29Å; E82-N85 PolarHBondContact O-N 3.14Å | ||
| 83 | E | 54 | Low | 58.2 | Low | 201 Ų | 201 | 112 Ų | 112 | 94% | 0.939 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -8 | -164 | -76.8 | 166.1 | 104.9 | 0 | 0 | 115.8 | ||
| 84 | D | 55.9 | Low | 60 | Low | 161 Ų | 161 | 107.1 Ų | 107.1 | 86% | 0.861 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 0.6 | 176.4 | -66.7 | -45.6 | 0 | 0 | 0 | 114.6 | E82 | E82-D84 PolarHBondContact O-N 3.5Š|
| 85 | N | 54.9 | Low | 61.8 | Low | 99 Ų | 99 | 102.9 Ų | 102.9 | 53% | 0.529 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -98.1 | 119.7 | -174.5 | -71.8 | -46.9 | 0 | 0 | 0 | 111.7 | E82 | E82-N85 VanDerWaalsContact CB-ND2 3.29Å; E82-N85 WeakPolarHBondContact CB-ND2 3.29Å; E82-N85 PolarHBondContact O-N 3.14Å |
| 86 | A | 61.3 | Low | 63.2 | Low | 96 Ų | 96 | 96.5 Ų | 96.5 | 79% | 0.793 | 56% | 0.558 | S | S | * | * | trans | -45.1 | 141.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 87 | C | 62.7 | Low | 64.8 | Low | 29 Ų | 29 | 98.3 Ų | 98.3 | 20% | 0.196 | 56% | 0.556 | C | S | . | * | P | Polyproline II helix | trans | -55.5 | 138.3 | 175 | -73 | 0 | 0 | 0 | 0 | 109.3 | K230 G232 | C87-K230 PolarHBondContact SG-O 3.04Å; C87-G232 VanDerWaalsContact CB-CA 3.5Å |
| 88 | P | 65.7 | Low | 66.4 | Low | 77 Ų | 77 | 97.6 Ų | 97.6 | 50% | 0.5 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -57 | 143 | -179.3 | 24.8 | -33.5 | 0 | 0 | 0 | 109.4 | ||
| 89 | P | 69.2 | Low | 67.7 | Low | 82 Ų | 82 | 90.9 Ų | 90.9 | 53% | 0.532 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 148.5 | 172.5 | -25 | 33.5 | 0 | 0 | 0 | 110.6 | ||
| 90 | G | 72.9 | Confident | 69.3 | Low | 6 Ų | 6 | 90.3 Ų | 90.3 | 6% | 0.062 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 168.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P164 E233 G235 | G90-P164 WeakPolarHBondContact CA-O 3.25Å; G90-E233 PolarHBondContact N-O 3.35Å; G90-G235 WeakPolarHBondContact O-CA 3.44Å |
| 91 | P | 79 | Confident | 71 | Confident | 85 Ų | 85 | 87.2 Ų | 87.2 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 151 | 178.2 | 28.2 | -33.8 | 0 | 0 | 0 | 110.4 | G93 G163 P164 G235 | P91-G93 PolarHBondContact O-N 2.71Å; P91-G163 WeakPolarHBondContact O-CA 3.2Å; P91-P164 HydrophobicContact CG-CG 3.52Å; P91-G235 WeakPolarHBondContact O-CA 3.48Å |
| 92 | Q | 84.3 | Confident | 72.4 | Confident | 123 Ų | 123 | 84.5 Ų | 84.5 | 58% | 0.575 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 140.6 | 178.1 | -176.4 | 174.5 | 29.2 | 0 | 0 | 111.1 | P236 | Q92-P236 HydrophobicContact CB-CG 4.26Å; Q92-P236 HydrophobicContact CG-CG 4.29Å |
| 93 | G | 78.6 | Confident | 73.8 | Confident | 5 Ų | 5 | 84.8 Ų | 84.8 | 5% | 0.052 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 166.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P91 R161 G163 P236 G238 | P91-G93 PolarHBondContact O-N 2.71Å; G93-R161 CarbonylContact C-O 3.6Å; G93-R161 VanDerWaalsContact CA-O 3.26Å; G93-R161 WeakPolarHBondContact CA-O 3.07Å; G93-G163 VanDerWaalsContact CA-N 3.33Å; G93-P236 PolarHBondContact N-O 3.4Å; G93-G238 WeakPolarHBondContact O-CA 3.47Å |
| 94 | L | 84.9 | Confident | 75 | Confident | 122 Ų | 122 | 80.2 Ų | 80.2 | 64% | 0.639 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 139 | -178.6 | -65.6 | 175.6 | 0 | 0 | 0 | 110.3 | G160 R161 | L94-G160 CarbonylContact O-C 3.47Å; L94-G160 WeakPolarHBondContact O-CA 3.42Å; L94-R161 PolarHBondContact O-N 3.09Å |
| 95 | P | 82.7 | Confident | 76 | Confident | 86 Ų | 86 | 73 Ų | 73 | 56% | 0.558 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 147.9 | 170.8 | -26.3 | 34.9 | 0 | 0 | 0 | 111.9 | P239 | P95-P239 HydrophobicContact CB-CG 3.97Å; P95-P239 HydrophobicContact CG-CG 4.07Å |
| 96 | G | 78.5 | Confident | 77.3 | Confident | 9 Ų | 9 | 74.4 Ų | 74.4 | 9% | 0.093 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -59 | 149.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P158 G160 P239 G241 | G96-P158 VanDerWaalsContact CA-O 3.25Å; G96-P158 WeakPolarHBondContact CA-O 3.08Å; G96-G160 VanDerWaalsContact N-CA 3.26Å; G96-P239 PolarHBondContact N-O 3.22Å; G96-G241 WeakPolarHBondContact O-CA 3.03Å |
| 97 | E | 83.8 | Confident | 78.4 | Confident | 130 Ų | 130 | 75.1 Ų | 75.1 | 61% | 0.607 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 144.1 | 174.5 | -64.7 | 179.2 | 117.6 | 0 | 0 | 109.5 | G157 P158 G241 | E97-G157 VanDerWaalsContact O-CA 3.29Å; E97-G157 WeakPolarHBondContact O-CA 3.21Å; E97-P158 HydrophobicContact CB-CG 3.96Å; E97-G241 WeakPolarHBondContact O-CA 3.26Å |
| 98 | P | 81.9 | Confident | 79.1 | Confident | 100 Ų | 100 | 74.4 Ų | 74.4 | 65% | 0.649 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 144.5 | 172.5 | -23.8 | 34.1 | 0 | 0 | 0 | 111.4 | ||
| 99 | G | 77.8 | Confident | 80.1 | Confident | 9 Ų | 9 | 76.4 Ų | 76.4 | 9% | 0.093 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 152.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | P155 K242 | G99-P155 WeakPolarHBondContact CA-O 3.09Å; G99-K242 PolarHBondContact N-O 3.18Å |
| 100 | V | 81.6 | Confident | 80.7 | Confident | 97 Ų | 97 | 75.9 Ų | 75.9 | 59% | 0.588 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -70 | 142.6 | 173.6 | -53.7 | 0 | 0 | 0 | 0 | 109.2 | G154 P155 | V100-G154 VanDerWaalsContact O-CA 3.26Å; V100-G154 WeakPolarHBondContact O-CA 3.09Å; V100-P155 VanDerWaalsContact CG2-CD 3.5Å; V100-P155 HydrophobicContact CG2-CG 3.59Å |
| 101 | D | 83.7 | Confident | 81 | Confident | 106 Ų | 106 | 76 Ų | 76 | 57% | 0.567 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -65 | 154.2 | 177.1 | -64.8 | -33.4 | 0 | 0 | 0 | 111.2 | E245 | D101-E245 PolarHBondContact OD1-N 2.91Š|
| 102 | G | 75.2 | Confident | 81.4 | Confident | 11 Ų | 11 | 77.9 Ų | 77.9 | 11% | 0.113 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 145.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P152 G154 E245 G247 | G102-P152 WeakPolarHBondContact CA-O 3.35Å; G102-G154 VanDerWaalsContact CA-N 3.28Å; G102-E245 PolarHBondContact N-O 3.21Å; G102-G247 WeakPolarHBondContact O-CA 3.29Å |
| 103 | E | 80.8 | Confident | 81.3 | Confident | 146 Ų | 146 | 75.9 Ų | 75.9 | 68% | 0.682 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 144.7 | 174.5 | -64.9 | -171.3 | 116.3 | 0 | 0 | 110.5 | G151 P152 G247 | E103-G151 WeakPolarHBondContact O-CA 3.29Å; E103-P152 HydrophobicContact CB-CG 4.3Å; E103-G247 WeakPolarHBondContact O-CA 3.47Å |
| 104 | P | 80 | Confident | 81.5 | Confident | 105 Ų | 105 | 76.2 Ų | 76.2 | 68% | 0.682 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 145 | 173 | -24.4 | 34.3 | 0 | 0 | 0 | 112 | ||
| 105 | G | 76.2 | Confident | 81.4 | Confident | 11 Ų | 11 | 76.9 Ų | 76.9 | 11% | 0.113 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 158.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | L149 G151 R248 | G105-L149 CarbonylContact C-O 3.6Å; G105-L149 WeakPolarHBondContact CA-O 3.33Å; G105-G151 VanDerWaalsContact CA-CA 3.5Å; G105-G151 VanDerWaalsContact CA-N 3.29Å; G105-R248 PolarHBondContact N-O 3Å |
| 106 | L | 83.5 | Confident | 81.3 | Confident | 127 Ų | 127 | 76.5 Ų | 76.5 | 67% | 0.665 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -76.7 | 132.2 | 175.4 | -60 | 177.8 | 0 | 0 | 0 | 109.6 | G148 L149 | L106-G148 CarbonylContact O-C 3.48Å; L106-G148 VanDerWaalsContact O-CA 3.24Å; L106-G148 WeakPolarHBondContact O-CA 3.34Å; L106-L149 PolarHBondContact O-N 3.1Å |
| 107 | D | 83.9 | Confident | 81.1 | Confident | 112 Ų | 112 | 76.5 Ų | 76.5 | 60% | 0.599 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -61 | 149.4 | 173.7 | -70.6 | -25.3 | 0 | 0 | 0 | 111 | R251 | D107-R251 PolarHBondContact OD1-N 3.07Š|
| 108 | G | 77.9 | Confident | 80.6 | Confident | 14 Ų | 14 | 77.2 Ų | 77.2 | 14% | 0.144 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -68 | 149.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K146 R251 G253 | G108-K146 WeakPolarHBondContact CA-O 3.34Å; G108-R251 PolarHBondContact N-O 3.01Å; G108-G253 WeakPolarHBondContact O-CA 3.24Å |
| 109 | E | 85.1 | Confident | 79.9 | Confident | 119 Ų | 119 | 74.8 Ų | 74.8 | 56% | 0.556 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 139.3 | 176.8 | -63.1 | 178.9 | 115.1 | 0 | 0 | 110.7 | G145 K146 | E109-G145 CarbonylContact O-C 3.39Å; E109-G145 WeakPolarHBondContact O-CA 3.44Å; E109-K146 PolarHBondContact O-N 2.79Å; E109-K146 WeakPolarHBondContact OE2-CD 3.17Å; E109-K146 WeakPolarHBondContact OE2-CE 3.44Å; E109-K146 IonicContact OE2-NZ 3.64Å; E109-K146 PolarHBondContact OE2-NZ 3.07Å |
| 110 | A | 83.3 | Confident | 79.1 | Confident | 70 Ų | 70 | 78 Ų | 78 | 58% | 0.579 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 148 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P254 | A110-P254 HydrophobicContact CB-CG 3.89Š|
| 111 | G | 78.8 | Confident | 78.1 | Confident | 8 Ų | 8 | 79.2 Ų | 79.2 | 8% | 0.082 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 153 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A143 P254 G256 | G111-A143 WeakPolarHBondContact CA-O 3.39Å; G111-P254 PolarHBondContact N-O 3.42Å; G111-G256 VanDerWaalsContact C-CA 3.48Å; G111-G256 WeakPolarHBondContact O-CA 3.39Å |
| 112 | I | 86.4 | Confident | 77 | Confident | 126 Ų | 126 | 77.3 Ų | 77.3 | 65% | 0.646 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 133.4 | 178.1 | -52.6 | 175.1 | 0 | 0 | 0 | 108.3 | G142 A143 | I112-G142 CarbonylContact O-C 3.57Å; I112-G142 WeakPolarHBondContact O-CA 3.15Å; I112-A143 HydrophobicContact CB-CB 4.47Å; I112-A143 PolarHBondContact O-N 3.12Å |
| 113 | P | 83.3 | Confident | 76.1 | Confident | 80 Ų | 80 | 82.5 Ų | 82.5 | 52% | 0.519 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 147.3 | 174 | -27.7 | 35 | 0 | 0 | 0 | 113.3 | P257 | P113-P257 HydrophobicContact CB-CG 3.83Å; P113-P257 HydrophobicContact CG-CG 3.76Å |
| 114 | G | 81.4 | Confident | 75 | Confident | 12 Ų | 12 | 81.9 Ų | 81.9 | 12% | 0.124 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -61 | 152.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P140 G142 P257 G259 | G114-P140 WeakPolarHBondContact CA-O 3.2Å; G114-G142 VanDerWaalsContact N-CA 3.27Å; G114-P257 PolarHBondContact N-O 3.01Å; G114-G259 WeakPolarHBondContact O-CA 3.21Å |
| 115 | L | 83.9 | Confident | 73.9 | Confident | 137 Ų | 137 | 78.6 Ų | 78.6 | 72% | 0.717 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 150 | 170 | -66.7 | 174.3 | 0 | 0 | 0 | 110 | G139 P140 | L115-G139 VanDerWaalsContact O-CA 3.29Å; L115-G139 WeakPolarHBondContact O-CA 3.14Å; L115-P140 WeakPolarHBondContact O-CD 3.24Å |
| 116 | P | 80.4 | Confident | 73 | Confident | 78 Ų | 78 | 84.4 Ų | 84.4 | 51% | 0.506 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 148.3 | 173.5 | -25.3 | 34.5 | 0 | 0 | 0 | 112.5 | D260 | P116-D260 CarbonylContact C-O 3.49Å; P116-D260 VanDerWaalsContact CA-O 3.24Å; P116-D260 WeakPolarHBondContact CA-O 3.4Å |
| 117 | G | 75.5 | Confident | 72.1 | Confident | 9 Ų | 9 | 81.7 Ų | 81.7 | 9% | 0.093 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 146.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P137 D260 G262 | G117-P137 WeakPolarHBondContact CA-O 3.28Å; G117-D260 PolarHBondContact N-O 2.74Å; G117-G262 WeakPolarHBondContact O-CA 3.18Å |
| 118 | N | 71.8 | Confident | 70.9 | Confident | 145 Ų | 145 | 79.7 Ų | 79.7 | 78% | 0.775 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 134.9 | 175.3 | -74.7 | -35 | 0 | 0 | 0 | 110.8 | ||
| 119 | F | 67.4 | Low | 70 | Confident | 48 Ų | 48 | 86 Ų | 86 | 21% | 0.211 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 129.7 | 173.4 | -173 | -108.8 | 0 | 0 | 0 | 110.4 | V122 C133 | F119-V122 HydrophobicContact CE1-CB 4.45Å; F119-V122 HydrophobicContact CE1-CG1 3.5Å; F119-V122 VanDerWaalsContact CE1-CG1 3.5Å; F119-V122 HydrophobicContact CE1-CG2 4.43Å; F119-V122 HydrophobicContact CZ-CG1 3.46Å; F119-V122 VanDerWaalsContact CZ-CG1 3.46Å; F119-C133 HydrophobicContact CE2-CB 4.21Å; F119-C133 HydrophobicContact CZ-CB 3.94Å |
| 120 | P | 61.8 | Low | 68.5 | Low | 76 Ų | 76 | 83.8 Ų | 83.8 | 49% | 0.494 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 142.6 | 173.1 | 27 | -32.6 | 0 | 0 | 0 | 109.9 | V122 | P120-V122 PolarHBondContact O-N 3.44Å; P120-V122 VanDerWaalsContact O-N 3.09Å |
| 121 | P | 60.2 | Low | 67.4 | Low | 123 Ų | 123 | 88.7 Ų | 88.7 | 80% | 0.799 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 121.3 | 173.7 | 23.6 | -31.6 | 0 | 0 | 0 | 109 | P123 | P121-P123 WeakPolarHBondContact O-CD 3.25Š|
| 122 | V | 60.1 | Low | 66.6 | Low | 66 Ų | 66 | 97.5 Ų | 97.5 | 40% | 0.4 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -65 | 124.7 | 177.3 | -82.7 | 0 | 0 | 0 | 0 | 109.5 | F119 P120 V124 | F119-V122 HydrophobicContact CE1-CB 4.45Å; F119-V122 HydrophobicContact CE1-CG1 3.5Å; F119-V122 VanDerWaalsContact CE1-CG1 3.5Å; F119-V122 HydrophobicContact CE1-CG2 4.43Å; F119-V122 HydrophobicContact CZ-CG1 3.46Å; F119-V122 VanDerWaalsContact CZ-CG1 3.46Å; P120-V122 PolarHBondContact O-N 3.44Å; P120-V122 VanDerWaalsContact O-N 3.09Å; V122-V124 PolarHBondContact O-N 3.31Å |
| 123 | P | 56.6 | Low | 65.4 | Low | 120 Ų | 120 | 93 Ų | 93 | 78% | 0.779 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 119.9 | 164.9 | 24.5 | -28.2 | 0 | 0 | 0 | 107.8 | P121 S125 | P121-P123 WeakPolarHBondContact O-CD 3.25Å; P123-S125 PolarHBondContact O-N 3.21Å |
| 124 | V | 57.2 | Low | 64.5 | Low | 134 Ų | 134 | 93.6 Ų | 93.6 | 81% | 0.812 | 54% | 0.537 | S | S | * | . | trans | -57.3 | 114.9 | 173.7 | -173.9 | 0 | 0 | 0 | 0 | 107 | V122 P126 | V122-V124 PolarHBondContact O-N 3.31Å; V124-P126 WeakPolarHBondContact O-CD 3.45Å | ||
| 125 | S | 57.2 | Low | 64 | Low | 36 Ų | 36 | 96.3 Ų | 96.3 | 25% | 0.252 | 55% | 0.552 | S | S | . | * | trans | -61.7 | 119.5 | 175.5 | -86.6 | 0 | 0 | 0 | 0 | 108.7 | P123 D127 G128 | P123-S125 PolarHBondContact O-N 3.21Å; S125-D127 VanDerWaalsContact CB-OD1 3.31Å; S125-D127 WeakPolarHBondContact CB-OD1 3.26Å; S125-D127 PolarHBondContact O-N 3.39Å; S125-D127 VanDerWaalsContact O-N 3.09Å; S125-G128 PolarHBondContact O-N 2.65Å; S125-G128 VanDerWaalsContact O-N 3.09Å | ||
| 126 | P | 58.6 | Low | 63.3 | Low | 133 Ų | 133 | 90 Ų | 90 | 86% | 0.864 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -17.4 | 179.8 | 24.1 | -31.4 | 0 | 0 | 0 | 112.3 | V124 | V124-P126 WeakPolarHBondContact O-CD 3.45Š|
| 127 | D | 63.5 | Low | 63.2 | Low | 69 Ų | 69 | 90.2 Ų | 90.2 | 37% | 0.369 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -0.6 | 177.6 | 46.7 | -51.4 | 0 | 0 | 0 | 114.7 | S125 K129 R131 | S125-D127 VanDerWaalsContact CB-OD1 3.31Å; S125-D127 WeakPolarHBondContact CB-OD1 3.26Å; S125-D127 PolarHBondContact O-N 3.39Å; S125-D127 VanDerWaalsContact O-N 3.09Å; D127-K129 PolarHBondContact O-N 3.34Å; D127-R131 IonicContact OD2-NH2 2.75Å |
| 128 | G | 58.2 | Low | 63.5 | Low | 71 Ų | 71 | 93.7 Ų | 93.7 | 73% | 0.732 | 54% | 0.543 | S | S | * | . | trans | 61.7 | 11.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S125 | S125-G128 PolarHBondContact O-N 2.65Å; S125-G128 VanDerWaalsContact O-N 3.09Å | ||
| 129 | K | 58.7 | Low | 64 | Low | 146 Ų | 146 | 87.2 Ų | 87.2 | 64% | 0.635 | 51% | 0.511 | S | S | * | . | trans | -88.4 | 125.2 | 179 | -71.4 | 176.3 | -175.4 | 172.6 | 0 | 109.9 | D127 R131 | D127-K129 PolarHBondContact O-N 3.34Å; K129-R131 PolarHBondContact O-N 3.13Å; K129-R131 VanDerWaalsContact O-N 3.11Å | ||
| 130 | C | 55.4 | Low | 64.8 | Low | 73 Ų | 73 | 89 Ų | 89 | 49% | 0.493 | 53% | 0.527 | S | S | . | . | trans | -62.2 | 109.5 | 170.1 | -59.8 | 0 | 0 | 0 | 0 | 110.2 | P269 C270 | C130-P269 PolarHBondContact SG-O 3.06Å; C130-P269 VanDerWaalsContact SG-O 3.37Å; C130-C270 HydrophobicContact CB-CB 4.48Å; C130-C270 VanDerWaalsContact CB-SG 3.52Å | ||
| 131 | R | 59.5 | Low | 65.9 | Low | 172 Ų | 172 | 91.4 Ų | 91.4 | 65% | 0.649 | 53% | 0.534 | S | S | * | . | trans | -98.7 | 143.8 | 166.3 | -64.7 | -173.9 | -176.9 | -174.4 | 4.9 | 108.7 | D127 K129 C133 | D127-R131 IonicContact OD2-NH2 2.75Å; K129-R131 PolarHBondContact O-N 3.13Å; K129-R131 VanDerWaalsContact O-N 3.11Å; R131-C133 PolarHBondContact O-N 3.3Å | ||
| 132 | Y | 61.7 | Low | 66.9 | Low | 193 Ų | 193 | 86 Ų | 86 | 76% | 0.757 | 50% | 0.501 | S | S | * | . | trans | -55.6 | 120 | 170.3 | 178.3 | -98.2 | 0 | 0 | 0 | 108.4 | P134 | Y132-P134 WeakPolarHBondContact O-CD 3.39Š| ||
| 133 | C | 61.3 | Low | 67.9 | Low | 32 Ų | 32 | 85.2 Ų | 85.2 | 22% | 0.216 | 50% | 0.501 | C | S | . | . | trans | -72.9 | 115.7 | 171.7 | -58.9 | 0 | 0 | 0 | 0 | 107 | F119 R131 C268 | F119-C133 HydrophobicContact CE2-CB 4.21Å; F119-C133 HydrophobicContact CZ-CB 3.94Å; R131-C133 PolarHBondContact O-N 3.3Å; C133-C268 HydrophobicContact CB-CB 4.44Å; C133-C268 WeakPolarHBondContact CB-SG 3.31Å; C133-C268 WeakPolarHBondContact SG-CB 3.34Å; C133-C268 CovalentContact SG-SG 2.05Å; C133-C268 PolarHBondContact SG-SG 3.16Å | ||
| 134 | P | 65.3 | Low | 69 | Low | 92 Ų | 92 | 84.7 Ų | 84.7 | 60% | 0.597 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 143.4 | 173.4 | 26.9 | -32.8 | 0 | 0 | 0 | 109 | Y132 | Y132-P134 WeakPolarHBondContact O-CD 3.39Š|
| 135 | P | 69.6 | Low | 70.1 | Confident | 69 Ų | 69 | 79.1 Ų | 79.1 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -49.6 | 143.2 | 170.5 | -27 | 34.8 | 0 | 0 | 0 | 110.9 | P261 | P135-P261 HydrophobicContact CB-CB 4.22Š|
| 136 | G | 70.2 | Confident | 71.2 | Confident | 5 Ų | 5 | 83.5 Ų | 83.5 | 5% | 0.052 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 163.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G262 | G136-G262 PolarHBondContact N-O 3.3Š|
| 137 | P | 78.7 | Confident | 72.2 | Confident | 82 Ų | 82 | 81.5 Ų | 81.5 | 53% | 0.532 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 154.4 | 170.4 | 27.2 | -34.4 | 0 | 0 | 0 | 110.5 | G117 | G117-P137 WeakPolarHBondContact CA-O 3.28Š|
| 138 | P | 81.9 | Confident | 72.9 | Confident | 83 Ų | 83 | 79 Ų | 79 | 54% | 0.539 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 151.2 | 169.2 | -24.8 | 34.3 | 0 | 0 | 0 | 111.7 | V258 | P138-V258 HydrophobicContact CB-CG1 3.78Š|
| 139 | G | 81.7 | Confident | 74 | Confident | 9 Ų | 9 | 81.1 Ų | 81.1 | 9% | 0.093 | 45% | 0.453 | C | S | . | . | trans | -65.6 | 174.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L115 V258 G259 | L115-G139 VanDerWaalsContact O-CA 3.29Å; L115-G139 WeakPolarHBondContact O-CA 3.14Å; G139-V258 VanDerWaalsContact O-CG1 3.28Å; G139-V258 WeakPolarHBondContact O-CG1 3.01Å; G139-G259 PolarHBondContact N-O 2.77Å | ||
| 140 | P | 83.9 | Confident | 75 | Confident | 86 Ų | 86 | 78.8 Ų | 78.8 | 56% | 0.558 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 161 | 170.4 | 27 | -35 | 0 | 0 | 0 | 111.9 | G114 L115 G259 | G114-P140 WeakPolarHBondContact CA-O 3.2Å; L115-P140 WeakPolarHBondContact O-CD 3.24Å; P140-G259 PolarHBondContact O-N 2.88Å; P140-G259 VanDerWaalsContact O-N 3.07Å |
| 141 | I | 83.9 | Confident | 75.9 | Confident | 125 Ų | 125 | 75.8 Ų | 75.8 | 64% | 0.641 | 44% | 0.437 | S | S | * | . | B | Isolated β-bridge | trans | -59.2 | 140.6 | 166.4 | -65.4 | 168.3 | 0 | 0 | 0 | 108.5 | V258 | I141-V258 HydrophobicContact CG1-CG2 3.99Å |
| 142 | G | 81 | Confident | 76.9 | Confident | 9 Ų | 9 | 71.3 Ų | 71.3 | 9% | 0.093 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -60 | 169 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I112 G114 G256 P257 | I112-G142 CarbonylContact O-C 3.57Å; I112-G142 WeakPolarHBondContact O-CA 3.15Å; G114-G142 VanDerWaalsContact N-CA 3.27Å; G142-G256 PolarHBondContact N-O 3.19Å; G142-P257 PolarHBondContact N-O 3.39Å; G142-P257 VanDerWaalsContact N-O 3.16Å |
| 143 | A | 82.7 | Confident | 77.8 | Confident | 50 Ų | 50 | 67.3 Ų | 67.3 | 41% | 0.413 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 146.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | G111 I112 G256 | G111-A143 WeakPolarHBondContact CA-O 3.39Å; I112-A143 HydrophobicContact CB-CB 4.47Å; I112-A143 PolarHBondContact O-N 3.12Å; A143-G256 PolarHBondContact O-N 2.94Å |
| 144 | P | 79.6 | Confident | 78.5 | Confident | 110 Ų | 110 | 66 Ų | 66 | 71% | 0.714 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 152.1 | 171.7 | -24 | 33.9 | 0 | 0 | 0 | 112.1 | ||
| 145 | G | 78.7 | Confident | 79.2 | Confident | 16 Ų | 16 | 65.3 Ų | 65.3 | 17% | 0.165 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 160.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E109 P254 | E109-G145 CarbonylContact O-C 3.39Å; E109-G145 WeakPolarHBondContact O-CA 3.44Å; G145-P254 PolarHBondContact N-O 3.49Å |
| 146 | K | 81.7 | Confident | 79.6 | Confident | 129 Ų | 129 | 66.3 Ų | 66.3 | 56% | 0.561 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 147.1 | 172.1 | -64.3 | -174.5 | -163.8 | 153.2 | 0 | 109.3 | G108 E109 G253 | G108-K146 WeakPolarHBondContact CA-O 3.34Å; E109-K146 PolarHBondContact O-N 2.79Å; E109-K146 WeakPolarHBondContact OE2-CD 3.17Å; E109-K146 WeakPolarHBondContact OE2-CE 3.44Å; E109-K146 IonicContact OE2-NZ 3.64Å; E109-K146 PolarHBondContact OE2-NZ 3.07Å; K146-G253 PolarHBondContact O-N 3.26Å |
| 147 | P | 80.1 | Confident | 80 | Confident | 91 Ų | 91 | 66.6 Ų | 66.6 | 59% | 0.591 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 152.1 | 171.4 | -24.5 | 34.8 | 0 | 0 | 0 | 112.1 | D252 | P147-D252 WeakPolarHBondContact CA-OD1 3.15Å; P147-D252 WeakPolarHBondContact CB-OD1 3.44Å |
| 148 | G | 77.6 | Confident | 80.1 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 17% | 0.165 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 154.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L106 R251 | L106-G148 CarbonylContact O-C 3.48Å; L106-G148 VanDerWaalsContact O-CA 3.24Å; L106-G148 WeakPolarHBondContact O-CA 3.34Å; G148-R251 WeakPolarHBondContact CA-O 3.41Å; G148-R251 PolarHBondContact N-O 3.49Å |
| 149 | L | 80 | Confident | 80.1 | Confident | 116 Ų | 116 | 65.9 Ų | 65.9 | 61% | 0.607 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -82.8 | 148 | 173.2 | -64.5 | 178.4 | 0 | 0 | 0 | 109.8 | G105 L106 G250 | G105-L149 CarbonylContact C-O 3.6Å; G105-L149 WeakPolarHBondContact CA-O 3.33Å; L106-L149 PolarHBondContact O-N 3.1Å; L149-G250 PolarHBondContact O-N 2.95Å |
| 150 | S | 80.9 | Confident | 79.9 | Confident | 96 Ų | 96 | 65.6 Ų | 65.6 | 67% | 0.671 | 41% | 0.406 | S | S | * | . | B | Isolated β-bridge | trans | -71.5 | 140.6 | 170.2 | -65.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 151 | G | 74.8 | Confident | 79.8 | Confident | 11 Ų | 11 | 70 Ų | 70 | 11% | 0.113 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 149.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E103 G105 | E103-G151 WeakPolarHBondContact O-CA 3.29Å; G105-G151 VanDerWaalsContact CA-CA 3.5Å; G105-G151 VanDerWaalsContact CA-N 3.29Å |
| 152 | P | 79.8 | Confident | 79.7 | Confident | 77 Ų | 77 | 68.5 Ų | 68.5 | 50% | 0.5 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -61 | 152 | 175 | 28.1 | -34.5 | 0 | 0 | 0 | 110.6 | G102 E103 G247 | G102-P152 WeakPolarHBondContact CA-O 3.35Å; E103-P152 HydrophobicContact CB-CG 4.3Å; P152-G247 PolarHBondContact O-N 3.45Å |
| 153 | K | 80.5 | Confident | 79.5 | Confident | 110 Ų | 110 | 68.4 Ų | 68.4 | 48% | 0.478 | 41% | 0.408 | S | S | . | . | B | Isolated β-bridge | trans | -71 | 135.8 | 171.8 | -173.9 | 164.5 | -175.5 | 175.8 | 0 | 109.8 | K243 G244 | K153-K243 HydrophobicContact CD-CD 4.12Å; K153-K243 VanDerWaalsContact CD-CE 3.41Å; K153-G244 VanDerWaalsContact CE-O 3.28Å; K153-G244 WeakPolarHBondContact CE-O 3.17Å |
| 154 | G | 75.2 | Confident | 79.3 | Confident | 4 Ų | 4 | 69.8 Ų | 69.8 | 4% | 0.041 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 149.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | V100 G102 | V100-G154 VanDerWaalsContact O-CA 3.26Å; V100-G154 WeakPolarHBondContact O-CA 3.09Å; G102-G154 VanDerWaalsContact CA-N 3.28Å |
| 155 | P | 80.1 | Confident | 79.2 | Confident | 78 Ų | 78 | 69.6 Ų | 69.6 | 51% | 0.506 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 154.4 | 177.6 | 28.8 | -35.7 | 0 | 0 | 0 | 111.4 | G99 V100 | G99-P155 WeakPolarHBondContact CA-O 3.09Å; V100-P155 VanDerWaalsContact CG2-CD 3.5Å; V100-P155 HydrophobicContact CG2-CG 3.59Å |
| 156 | P | 79.5 | Confident | 78.7 | Confident | 89 Ų | 89 | 69.1 Ų | 69.1 | 58% | 0.578 | 40% | 0.401 | S | S | * | . | B | Isolated β-bridge | trans | -57.8 | 149.2 | 169.2 | -20 | 32.6 | 0 | 0 | 0 | 111.4 | ||
| 157 | G | 77.7 | Confident | 78.4 | Confident | 12 Ų | 12 | 72 Ų | 72 | 12% | 0.124 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 160.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E97 | E97-G157 VanDerWaalsContact O-CA 3.29Å; E97-G157 WeakPolarHBondContact O-CA 3.21Å |
| 158 | P | 80.6 | Confident | 77.9 | Confident | 65 Ų | 65 | 72 Ų | 72 | 42% | 0.422 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 156 | 176.6 | 27.2 | -34.7 | 0 | 0 | 0 | 111.3 | G96 E97 G241 | G96-P158 VanDerWaalsContact CA-O 3.25Å; G96-P158 WeakPolarHBondContact CA-O 3.08Å; E97-P158 HydrophobicContact CB-CG 3.96Å; P158-G241 PolarHBondContact O-N 2.94Å |
| 159 | P | 81.1 | Confident | 77.3 | Confident | 85 Ų | 85 | 72 Ų | 72 | 55% | 0.552 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 156.6 | 169.7 | -25.3 | 35.8 | 0 | 0 | 0 | 112.5 | Q237 | P159-Q237 VanDerWaalsContact CB-NE2 3.27Š|
| 160 | G | 78.3 | Confident | 76.6 | Confident | 3 Ų | 3 | 71.7 Ų | 71.7 | 3% | 0.031 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -59 | 158.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L94 G96 Q237 | L94-G160 CarbonylContact O-C 3.47Å; L94-G160 WeakPolarHBondContact O-CA 3.42Å; G96-G160 VanDerWaalsContact N-CA 3.26Å; G160-Q237 WeakPolarHBondContact O-CG 3.11Å; G160-Q237 PolarHBondContact O-NE2 3.01Å |
| 161 | R | 81.9 | Confident | 75.9 | Confident | 179 Ų | 179 | 73.7 Ų | 73.7 | 68% | 0.675 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 153.9 | 171.4 | -64.4 | -174.2 | -176.7 | -170.8 | 1.9 | 109.2 | G93 L94 G238 | G93-R161 CarbonylContact C-O 3.6Å; G93-R161 VanDerWaalsContact CA-O 3.26Å; G93-R161 WeakPolarHBondContact CA-O 3.07Å; L94-R161 PolarHBondContact O-N 3.09Å; R161-G238 PolarHBondContact O-N 2.75Å |
| 162 | P | 82.1 | Confident | 75.2 | Confident | 93 Ų | 93 | 74.8 Ų | 74.8 | 60% | 0.604 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 154.5 | 167.5 | -25.1 | 35.5 | 0 | 0 | 0 | 112.2 | ||
| 163 | G | 77.3 | Confident | 74.5 | Confident | 6 Ų | 6 | 79.6 Ų | 79.6 | 6% | 0.062 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 152 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P91 G93 G235 P236 | P91-G163 WeakPolarHBondContact O-CA 3.2Å; G93-G163 VanDerWaalsContact CA-N 3.33Å; G163-G235 PolarHBondContact N-O 2.97Å; G163-G235 VanDerWaalsContact N-O 3.09Å; G163-P236 PolarHBondContact N-O 2.88Å |
| 164 | P | 78.3 | Confident | 73.8 | Confident | 80 Ų | 80 | 79.4 Ų | 79.4 | 52% | 0.519 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 160.5 | 167.1 | 31.1 | -35.1 | 0 | 0 | 0 | 110 | G90 P91 G235 | G90-P164 WeakPolarHBondContact CA-O 3.25Å; P91-P164 HydrophobicContact CG-CG 3.52Å; P164-G235 PolarHBondContact O-N 2.83Å |
| 165 | D | 77.2 | Confident | 72.9 | Confident | 105 Ų | 105 | 80.8 Ų | 80.8 | 56% | 0.561 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 147.6 | 175.8 | -65.3 | -17.1 | 0 | 0 | 0 | 111.5 | T231 P234 | D165-T231 HydrophobicContact CB-CG2 4.06Å; D165-P234 WeakPolarHBondContact OD1-CG 3.35Å |
| 166 | G | 68.9 | Low | 72 | Confident | 6 Ų | 6 | 82.6 Ų | 82.6 | 6% | 0.062 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 143.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | T231 G232 E233 | G166-T231 VanDerWaalsContact O-CG2 3.25Å; G166-T231 WeakPolarHBondContact O-CG2 3.28Å; G166-G232 PolarHBondContact N-O 3.36Å; G166-G232 PolarHBondContact O-N 3.18Å; G166-E233 PolarHBondContact N-O 3.37Å |
| 167 | K | 73.6 | Confident | 71.2 | Confident | 189 Ų | 189 | 84 Ų | 84 | 82% | 0.822 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 144.2 | 176.4 | -67.2 | -172.7 | 177.3 | -173.4 | 0 | 110.1 | G169 | K167-G169 PolarHBondContact O-N 3.28Š|
| 168 | P | 70.4 | Confident | 70.1 | Confident | 91 Ų | 91 | 85.6 Ų | 85.6 | 59% | 0.591 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 136.9 | 172.6 | -25.7 | 34.3 | 0 | 0 | 0 | 111.1 | ||
| 169 | G | 65.1 | Low | 69.3 | Low | 16 Ų | 16 | 92.3 Ų | 92.3 | 17% | 0.165 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 155.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K167 K230 | K167-G169 PolarHBondContact O-N 3.28Å; G169-K230 PolarHBondContact N-O 2.9Å |
| 170 | P | 66.2 | Low | 68.4 | Low | 111 Ų | 111 | 97 Ų | 97 | 72% | 0.721 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 146.3 | 176.4 | 26.6 | -34.2 | 0 | 0 | 0 | 110.4 | G172 | P170-G172 PolarHBondContact O-N 2.94Š|
| 171 | K | 66.1 | Low | 67.1 | Low | 138 Ų | 138 | 100 Ų | 100 | 60% | 0.6 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 132.6 | 173.1 | -173.2 | 174.3 | 179.4 | 179.9 | 0 | 109.2 | V225 | K171-V225 HydrophobicContact CD-CG1 4.39Å; K171-V225 VanDerWaalsContact NZ-CG1 3.27Å |
| 172 | G | 59.6 | Low | 66 | Low | 33 Ų | 33 | 98.9 Ų | 98.9 | 34% | 0.34 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 141.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P170 L227 | P170-G172 PolarHBondContact O-N 2.94Å; G172-L227 PolarHBondContact N-O 2.77Å |
| 173 | Q | 65 | Low | 65.2 | Low | 179 Ų | 179 | 100.2 Ų | 100.2 | 84% | 0.836 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 146.7 | 177.1 | -66.6 | -173.3 | 48.8 | 0 | 0 | 110 | G175 | Q173-G175 PolarHBondContact O-N 2.9Š|
| 174 | P | 64.9 | Low | 64.1 | Low | 105 Ų | 105 | 103.4 Ų | 103.4 | 68% | 0.682 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 136.1 | 171.7 | -23.7 | 33.7 | 0 | 0 | 0 | 110.6 | ||
| 175 | G | 57.1 | Low | 63.3 | Low | 33 Ų | 33 | 109.6 Ų | 109.6 | 34% | 0.34 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 154 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q173 | Q173-G175 PolarHBondContact O-N 2.9Š|
| 176 | P | 62.1 | Low | 62.9 | Low | 116 Ų | 116 | 111 Ų | 111 | 75% | 0.753 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 150.2 | 178.2 | 25.4 | -34.1 | 0 | 0 | 0 | 111 | G178 | P176-G178 PolarHBondContact O-N 2.86Š|
| 177 | P | 62.5 | Low | 62.5 | Low | 119 Ų | 119 | 113.2 Ų | 113.2 | 77% | 0.773 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 140.1 | 173.8 | -25.2 | 33.7 | 0 | 0 | 0 | 111.6 | ||
| 178 | G | 53.7 | Low | 62 | Low | 45 Ų | 45 | 110.4 Ų | 110.4 | 46% | 0.464 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 141.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P176 H180 | P176-G178 PolarHBondContact O-N 2.86Å; G178-H180 PolarHBondContact O-N 3.04Å |
| 179 | K | 63 | Low | 61.9 | Low | 206 Ų | 206 | 114.4 Ų | 114.4 | 90% | 0.896 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -60 | 138.2 | 176.3 | -66.7 | -177.3 | 179.6 | 179.8 | 0 | 109.8 | G181 | K179-G181 PolarHBondContact O-N 3.46Š|
| 180 | H | 62.3 | Low | 61.7 | Low | 183 Ų | 183 | 116.1 Ų | 116.1 | 85% | 0.847 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 136 | 172.1 | -63.4 | 94.6 | 0 | 0 | 0 | 110.2 | G178 | G178-H180 PolarHBondContact O-N 3.04Š|
| 181 | G | 51.7 | Low | 61.4 | Low | 66 Ų | 66 | 116.6 Ų | 116.6 | 68% | 0.68 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 141.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | K179 | K179-G181 PolarHBondContact O-N 3.46Š|
| 182 | N | 59.6 | Low | 61.4 | Low | 156 Ų | 156 | 115.7 Ų | 115.7 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 142.8 | 174.9 | -70 | -39 | 0 | 0 | 0 | 110.2 | G184 | N182-G184 PolarHBondContact O-N 2.8Š|
| 183 | P | 64.6 | Low | 61.3 | Low | 122 Ų | 122 | 117.7 Ų | 117.7 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -52 | 140.6 | 172.6 | -25.2 | 33.6 | 0 | 0 | 0 | 111.5 | ||
| 184 | G | 54.6 | Low | 61 | Low | 73 Ų | 73 | 120.9 Ų | 120.9 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 142.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | N182 V186 | N182-G184 PolarHBondContact O-N 2.8Å; G184-V186 PolarHBondContact O-N 3.09Å |
| 185 | K | 62 | Low | 60.5 | Low | 210 Ų | 210 | 125.1 Ų | 125.1 | 91% | 0.913 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 138.6 | 175.2 | -66.7 | -176.3 | -179.3 | -177.4 | 0 | 109.4 | G187 | K185-G187 PolarHBondContact O-N 3.48Š|
| 186 | V | 68 | Low | 60.2 | Low | 133 Ų | 133 | 127 Ų | 127 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 128.5 | 172.5 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | G184 | G184-V186 PolarHBondContact O-N 3.09Š|
| 187 | G | 59.5 | Low | 59.6 | Low | 54 Ų | 54 | 129.8 Ų | 129.8 | 56% | 0.557 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 151.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K185 | K185-G187 PolarHBondContact O-N 3.48Š|
| 188 | P | 64.6 | Low | 58.6 | Low | 130 Ų | 130 | 132.8 Ų | 132.8 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 146.1 | 178.7 | 25.6 | -33.7 | 0 | 0 | 0 | 111.1 | G190 | P188-G190 PolarHBondContact O-N 3.47Š|
| 189 | M | 68 | Low | 58.3 | Low | 175 Ų | 175 | 133.7 Ų | 133.7 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 132.8 | 172 | -174.9 | 173.2 | 69.1 | 0 | 0 | 109.4 | ||
| 190 | G | 60.3 | Low | 57.4 | Low | 52 Ų | 52 | 135.9 Ų | 135.9 | 54% | 0.536 | 80% | 0.8 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 149.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P188 | P188-G190 PolarHBondContact O-N 3.47Š|
| 191 | P | 60.4 | Low | 56.5 | Low | 121 Ų | 121 | 137.1 Ų | 137.1 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 145.5 | 179.6 | 24.9 | -33.4 | 0 | 0 | 0 | 110.7 | G193 | P191-G193 PolarHBondContact O-N 2.89Š|
| 192 | P | 66.5 | Low | 56.6 | Low | 119 Ų | 119 | 136.4 Ų | 136.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 140.5 | 172.3 | -24.4 | 33.3 | 0 | 0 | 0 | 111.2 | R194 | P192-R194 PolarHBondContact O-N 3.43Š|
| 193 | G | 57.6 | Low | 56.1 | Low | 74 Ų | 74 | 135.3 Ų | 135.3 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 137.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | P191 E195 | P191-G193 PolarHBondContact O-N 2.89Å; G193-E195 PolarHBondContact O-N 3.04Å |
| 194 | R | 57.4 | Low | 55.5 | Low | 247 Ų | 247 | 134 Ų | 134 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 136.9 | 178.1 | -76.3 | -179.5 | 171.1 | -179.9 | -3 | 110.2 | P192 G196 | P192-R194 PolarHBondContact O-N 3.43Å; R194-G196 PolarHBondContact O-N 3.05Å |
| 195 | E | 55.4 | Low | 55.4 | Low | 193 Ų | 193 | 134 Ų | 134 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 125.5 | 171.9 | -81.9 | -178.6 | 147.9 | 0 | 0 | 110.3 | G193 | G193-E195 PolarHBondContact O-N 3.04Š|
| 196 | G | 50.6 | Low | 55.1 | Low | 74 Ų | 74 | 131.8 Ų | 131.8 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 138.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | R194 | R194-G196 PolarHBondContact O-N 3.05Š|
| 197 | I | 49.3 | Very low | 54.7 | Low | 173 Ų | 173 | 135 Ų | 135 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 132.9 | -178.4 | -49.3 | 170.7 | 0 | 0 | 0 | 109.8 | G199 | I197-G199 PolarHBondContact O-N 2.82Š|
| 198 | L | 42.1 | Very low | 54.3 | Low | 182 Ų | 182 | 135.7 Ų | 135.7 | 95% | 0.953 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -16.5 | 98.1 | 177.5 | -158.9 | 75.1 | 0 | 0 | 0 | 116.6 | ||
| 199 | G | 47.1 | Very low | 53.9 | Low | 65 Ų | 65 | 136 Ų | 136 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -171.9 | 142.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | I197 K201 | I197-G199 PolarHBondContact O-N 2.82Å; G199-K201 PolarHBondContact O-N 3.38Å |
| 200 | R | 44.1 | Very low | 53.6 | Low | 251 Ų | 251 | 138.2 Ų | 138.2 | 95% | 0.947 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -28.3 | 122.9 | -170.6 | -76 | 170.4 | 69.4 | -171.1 | 2.9 | 114.6 | G202 | R200-G202 PolarHBondContact O-N 2.79Š|
| 201 | K | 43.3 | Very low | 53.1 | Low | 210 Ų | 210 | 138.8 Ų | 138.8 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | -28.8 | 98.7 | 173.8 | -172.9 | 177.5 | -175.4 | 176.7 | 0 | 112.8 | G199 | G199-K201 PolarHBondContact O-N 3.38Š| ||
| 202 | G | 53.5 | Low | 53.1 | Low | 51 Ų | 51 | 141.9 Ų | 141.9 | 53% | 0.526 | 81% | 0.813 | S | S | . | * | P | Polyproline II helix | trans | -71.3 | 159.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R200 | R200-G202 PolarHBondContact O-N 2.79Š|
| 203 | P | 50.2 | Low | 52.9 | Low | 133 Ų | 133 | 142.1 Ų | 142.1 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 148.4 | 174.2 | 25.3 | -32.6 | 0 | 0 | 0 | 110.7 | G205 | P203-G205 PolarHBondContact O-N 2.85Š|
| 204 | A | 50.7 | Low | 52.8 | Low | 95 Ų | 95 | 141.5 Ų | 141.5 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 131.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 205 | G | 51.9 | Low | 52.9 | Low | 72 Ų | 72 | 135.5 Ų | 135.5 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 142 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P203 K207 | P203-G205 PolarHBondContact O-N 2.85Å; G205-K207 PolarHBondContact O-N 3Å |
| 206 | D | 56.5 | Low | 53.2 | Low | 163 Ų | 163 | 132.4 Ų | 132.4 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 131.3 | 179.4 | -70.1 | -44.3 | 0 | 0 | 0 | 110.5 | G208 | D206-G208 PolarHBondContact O-N 3.49Å; D206-G208 VanDerWaalsContact O-N 3.14Å |
| 207 | K | 58.8 | Low | 53.4 | Low | 201 Ų | 201 | 131.7 Ų | 131.7 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 120.5 | 175.9 | -175.1 | 177 | -172.7 | 174.3 | 0 | 108 | G205 T209 | G205-K207 PolarHBondContact O-N 3Å; K207-T209 PolarHBondContact O-N 2.84Å |
| 208 | G | 52.5 | Low | 54 | Low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 130.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | D206 | D206-G208 PolarHBondContact O-N 3.49Å; D206-G208 VanDerWaalsContact O-N 3.14Å |
| 209 | T | 56.3 | Low | 54.9 | Low | 136 Ų | 136 | 129.7 Ų | 129.7 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 140.4 | 179.5 | 48.3 | 0 | 0 | 0 | 0 | 109.9 | K207 G211 | K207-T209 PolarHBondContact O-N 2.84Å; T209-G211 PolarHBondContact O-N 2.88Å |
| 210 | R | 60.1 | Low | 55.2 | Low | 223 Ų | 223 | 128.6 Ų | 128.6 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 124.8 | 171.6 | -175.1 | 179 | -169.5 | 160.1 | 3 | 108.2 | ||
| 211 | G | 51.6 | Low | 55.9 | Low | 64 Ų | 64 | 125.7 Ų | 125.7 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 140.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | T209 | T209-G211 PolarHBondContact O-N 2.88Š|
| 212 | E | 60.2 | Low | 56.8 | Low | 186 Ų | 186 | 121.3 Ų | 121.3 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 145 | 179.4 | -64.5 | -163.5 | 118.9 | 0 | 0 | 110.7 | G214 | E212-G214 PolarHBondContact O-N 3.02Š|
| 213 | P | 62.2 | Low | 56.9 | Low | 123 Ų | 123 | 120.4 Ų | 120.4 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 136.4 | 170.1 | -23.1 | 33.2 | 0 | 0 | 0 | 110.1 | ||
| 214 | G | 54.2 | Low | 57.4 | Low | 62 Ų | 62 | 122.4 Ų | 122.4 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 153.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | E212 | E212-G214 PolarHBondContact O-N 3.02Š|
| 215 | P | 59.7 | Low | 58 | Low | 120 Ų | 120 | 122.2 Ų | 122.2 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 150.7 | 178.7 | 25.3 | -34.3 | 0 | 0 | 0 | 110.8 | G217 | P215-G217 PolarHBondContact O-N 2.82Š|
| 216 | P | 62.8 | Low | 58.4 | Low | 129 Ų | 129 | 119.9 Ų | 119.9 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 139.3 | 171 | -24.8 | 33.7 | 0 | 0 | 0 | 110.8 | ||
| 217 | G | 55.1 | Low | 58.9 | Low | 58 Ų | 58 | 119.3 Ų | 119.3 | 60% | 0.598 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 156.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P215 | P215-G217 PolarHBondContact O-N 2.82Š|
| 218 | P | 60.6 | Low | 59.3 | Low | 128 Ų | 128 | 114.7 Ų | 114.7 | 83% | 0.831 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 144.7 | 178.5 | 25.5 | -34.1 | 0 | 0 | 0 | 111 | G220 | P218-G220 PolarHBondContact O-N 2.89Š|
| 219 | Q | 62.3 | Low | 59.9 | Low | 185 Ų | 185 | 112.8 Ų | 112.8 | 86% | 0.864 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 130.9 | 172.1 | -176.4 | 176.8 | -17.3 | 0 | 0 | 109.1 | ||
| 220 | G | 53.5 | Low | 60.7 | Low | 43 Ų | 43 | 115 Ų | 115 | 44% | 0.443 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 143.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | P218 | P218-G220 PolarHBondContact O-N 2.89Š|
| 221 | F | 57.5 | Low | 61.3 | Low | 189 Ų | 189 | 108.6 Ų | 108.6 | 83% | 0.829 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 145.5 | 177.6 | -68.5 | -81.9 | 0 | 0 | 0 | 111.1 | G223 | F221-G223 PolarHBondContact O-N 3.06Š|
| 222 | P | 62.4 | Low | 62.2 | Low | 118 Ų | 118 | 105.8 Ų | 105.8 | 77% | 0.766 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 140.7 | 170.1 | -24.2 | 33.5 | 0 | 0 | 0 | 110.8 | ||
| 223 | G | 56.3 | Low | 63 | Low | 32 Ų | 32 | 103.7 Ų | 103.7 | 33% | 0.33 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 145.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | F221 V225 | F221-G223 PolarHBondContact O-N 3.06Å; G223-V225 PolarHBondContact O-N 3.38Å |
| 224 | M | 60.5 | Low | 63.7 | Low | 175 Ų | 175 | 101.4 Ų | 101.4 | 86% | 0.862 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 137.9 | 175.1 | -69.2 | 179.2 | 69.7 | 0 | 0 | 109.7 | G226 | M224-G226 PolarHBondContact O-N 2.79Š|
| 225 | V | 64.1 | Low | 64.8 | Low | 91 Ų | 91 | 98.7 Ų | 98.7 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 127 | 172.2 | 175.9 | 0 | 0 | 0 | 0 | 108.1 | K171 G223 | K171-V225 HydrophobicContact CD-CG1 4.39Å; K171-V225 VanDerWaalsContact NZ-CG1 3.27Å; G223-V225 PolarHBondContact O-N 3.38Å |
| 226 | G | 59.6 | Low | 65.8 | Low | 23 Ų | 23 | 96.7 Ų | 96.7 | 24% | 0.237 | 57% | 0.571 | C | S | . | * | P | Polyproline II helix | trans | -56.4 | 145.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | M224 | M224-G226 PolarHBondContact O-N 2.79Š|
| 227 | L | 66.7 | Low | 66.8 | Low | 152 Ų | 152 | 95.9 Ų | 95.9 | 80% | 0.796 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 149 | 176.1 | -67.3 | 171.9 | 0 | 0 | 0 | 110.4 | G172 | G172-L227 PolarHBondContact N-O 2.77Š|
| 228 | P | 67.3 | Low | 67.9 | Low | 104 Ų | 104 | 93.4 Ų | 93.4 | 68% | 0.675 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 141.5 | 167.9 | -22.3 | 33.3 | 0 | 0 | 0 | 110.7 | ||
| 229 | G | 65.1 | Low | 68.9 | Low | 27 Ų | 27 | 90 Ų | 90 | 28% | 0.278 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 151.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 230 | K | 72.3 | Confident | 69.7 | Low | 184 Ų | 184 | 86.3 Ų | 86.3 | 80% | 0.8 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 151 | 175.2 | -65.8 | -179.2 | 178.9 | 176.4 | 0 | 110.1 | C87 G169 | C87-K230 PolarHBondContact SG-O 3.04Å; G169-K230 PolarHBondContact N-O 2.9Å |
| 231 | T | 73.8 | Confident | 70.8 | Confident | 87 Ų | 87 | 84.9 Ų | 84.9 | 53% | 0.534 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 135.9 | 167 | -51.7 | 0 | 0 | 0 | 0 | 108.7 | D165 G166 | D165-T231 HydrophobicContact CB-CG2 4.06Å; G166-T231 VanDerWaalsContact O-CG2 3.25Å; G166-T231 WeakPolarHBondContact O-CG2 3.28Å |
| 232 | G | 70.5 | Confident | 71.9 | Confident | 5 Ų | 5 | 84.2 Ų | 84.2 | 5% | 0.052 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 153.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | C87 G166 | C87-G232 VanDerWaalsContact CB-CA 3.5Å; G166-G232 PolarHBondContact N-O 3.36Å; G166-G232 PolarHBondContact O-N 3.18Å |
| 233 | E | 77.3 | Confident | 72.7 | Confident | 143 Ų | 143 | 84.1 Ų | 84.1 | 67% | 0.668 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 155.9 | 178 | -65.6 | -163.6 | 137.8 | 0 | 0 | 111.6 | G90 G166 G235 | G90-E233 PolarHBondContact N-O 3.35Å; G166-E233 PolarHBondContact N-O 3.37Å; E233-G235 PolarHBondContact O-N 3.41Å |
| 234 | P | 77.4 | Confident | 73.5 | Confident | 75 Ų | 75 | 82.9 Ų | 82.9 | 49% | 0.487 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 139.6 | 172.2 | -22.3 | 30.3 | 0 | 0 | 0 | 111.4 | D165 | D165-P234 WeakPolarHBondContact OD1-CG 3.35Å |
| 235 | G | 75.9 | Confident | 74.3 | Confident | 4 Ų | 4 | 81.2 Ų | 81.2 | 4% | 0.041 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 159 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G90 P91 G163 P164 E233 | G90-G235 WeakPolarHBondContact O-CA 3.44Å; P91-G235 WeakPolarHBondContact O-CA 3.48Å; G163-G235 PolarHBondContact N-O 2.97Å; G163-G235 VanDerWaalsContact N-O 3.09Å; P164-G235 PolarHBondContact O-N 2.83Å; E233-G235 PolarHBondContact O-N 3.41Å |
| 236 | P | 81.7 | Confident | 75 | Confident | 78 Ų | 78 | 81 Ų | 81 | 51% | 0.506 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 154.1 | -179.7 | 26.3 | -34.5 | 0 | 0 | 0 | 111.5 | Q92 G93 G163 G238 | Q92-P236 HydrophobicContact CB-CG 4.26Å; Q92-P236 HydrophobicContact CG-CG 4.29Å; G93-P236 PolarHBondContact N-O 3.4Å; G163-P236 PolarHBondContact N-O 2.88Å; P236-G238 PolarHBondContact O-N 3.16Å |
| 237 | Q | 83.6 | Confident | 75.6 | Confident | 113 Ų | 113 | 80.5 Ų | 80.5 | 53% | 0.528 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 137.7 | 174.3 | -167.3 | 174.8 | 28.3 | 0 | 0 | 110.7 | P159 G160 | P159-Q237 VanDerWaalsContact CB-NE2 3.27Å; G160-Q237 WeakPolarHBondContact O-CG 3.11Å; G160-Q237 PolarHBondContact O-NE2 3.01Å |
| 238 | G | 77.4 | Confident | 76.2 | Confident | 5 Ų | 5 | 83.5 Ų | 83.5 | 5% | 0.052 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 159.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G93 R161 P236 | G93-G238 WeakPolarHBondContact O-CA 3.47Å; R161-G238 PolarHBondContact O-N 2.75Å; P236-G238 PolarHBondContact O-N 3.16Å |
| 239 | P | 81.3 | Confident | 76.7 | Confident | 56 Ų | 56 | 81.8 Ų | 81.8 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 152.9 | 179.4 | 27.1 | -35 | 0 | 0 | 0 | 111.3 | P95 G96 | P95-P239 HydrophobicContact CB-CG 3.97Å; P95-P239 HydrophobicContact CG-CG 4.07Å; G96-P239 PolarHBondContact N-O 3.22Å |
| 240 | P | 79.9 | Confident | 77.1 | Confident | 109 Ų | 109 | 81.1 Ų | 81.1 | 71% | 0.708 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 147.8 | 174.2 | -23.7 | 33.6 | 0 | 0 | 0 | 112.2 | ||
| 241 | G | 75.6 | Confident | 77.5 | Confident | 12 Ų | 12 | 81.8 Ų | 81.8 | 12% | 0.124 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 150.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G96 E97 P158 | G96-G241 WeakPolarHBondContact O-CA 3.03Å; E97-G241 WeakPolarHBondContact O-CA 3.26Å; P158-G241 PolarHBondContact O-N 2.94Å |
| 242 | K | 81.2 | Confident | 77.8 | Confident | 175 Ų | 175 | 83.6 Ų | 83.6 | 76% | 0.761 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 143.8 | 173.6 | -68.4 | -175.3 | 179 | 179.8 | 0 | 109.6 | G99 | G99-K242 PolarHBondContact N-O 3.18Š|
| 243 | K | 79.2 | Confident | 78 | Confident | 117 Ų | 117 | 83.8 Ų | 83.8 | 51% | 0.509 | 44% | 0.436 | S | S | . | . | B | Isolated β-bridge | trans | -67.7 | 137.7 | 174.2 | -168.2 | 169.3 | -179.2 | -179 | 0 | 109.7 | K153 | K153-K243 HydrophobicContact CD-CD 4.12Å; K153-K243 VanDerWaalsContact CD-CE 3.41Å |
| 244 | G | 73 | Confident | 78.1 | Confident | 5 Ų | 5 | 80.8 Ų | 80.8 | 5% | 0.052 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 155.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K153 | K153-G244 VanDerWaalsContact CE-O 3.28Å; K153-G244 WeakPolarHBondContact CE-O 3.17Å |
| 245 | E | 78.4 | Confident | 78.3 | Confident | 141 Ų | 141 | 81.9 Ų | 81.9 | 66% | 0.659 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -70 | 153.9 | 179 | -63.7 | -156.5 | 127.1 | 0 | 0 | 111.3 | D101 G102 | D101-E245 PolarHBondContact OD1-N 2.91Å; G102-E245 PolarHBondContact N-O 3.21Å |
| 246 | P | 77.5 | Confident | 78.5 | Confident | 87 Ų | 87 | 81.9 Ų | 81.9 | 57% | 0.565 | 44% | 0.436 | S | S | * | . | B | Isolated β-bridge | trans | -59.8 | 143.7 | 169.3 | -20 | 33 | 0 | 0 | 0 | 111.4 | ||
| 247 | G | 72.4 | Confident | 78.6 | Confident | 11 Ų | 11 | 82 Ų | 82 | 11% | 0.113 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 148.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G102 E103 P152 | G102-G247 WeakPolarHBondContact O-CA 3.29Å; E103-G247 WeakPolarHBondContact O-CA 3.47Å; P152-G247 PolarHBondContact O-N 3.45Å |
| 248 | R | 79.6 | Confident | 78.6 | Confident | 215 Ų | 215 | 80.5 Ų | 80.5 | 81% | 0.811 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 145.9 | 175.8 | -67.6 | -176.2 | -179.5 | 176.4 | 1 | 110 | G105 | G105-R248 PolarHBondContact N-O 3Š|
| 249 | A | 77.6 | Confident | 78.6 | Confident | 69 Ų | 69 | 80.4 Ų | 80.4 | 57% | 0.57 | 43% | 0.434 | S | S | * | . | B | Isolated β-bridge | trans | -62.3 | 141.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 250 | G | 73.3 | Confident | 78.6 | Confident | 12 Ų | 12 | 83.4 Ų | 83.4 | 12% | 0.124 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 156.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111 | L149 | L149-G250 PolarHBondContact O-N 2.95Š|
| 251 | R | 80.7 | Confident | 78.4 | Confident | 199 Ų | 199 | 80.7 Ų | 80.7 | 75% | 0.751 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 152.1 | 177.2 | -64.8 | 178.7 | 175.9 | 179.4 | -0 | 110.5 | D107 G108 G148 | D107-R251 PolarHBondContact OD1-N 3.07Å; G108-R251 PolarHBondContact N-O 3.01Å; G148-R251 WeakPolarHBondContact CA-O 3.41Å; G148-R251 PolarHBondContact N-O 3.49Å |
| 252 | D | 79.8 | Confident | 78 | Confident | 124 Ų | 124 | 80.4 Ų | 80.4 | 66% | 0.663 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -64 | 141.7 | 171 | -66.6 | -26.8 | 0 | 0 | 0 | 110.9 | P147 | P147-D252 WeakPolarHBondContact CA-OD1 3.15Å; P147-D252 WeakPolarHBondContact CB-OD1 3.44Å |
| 253 | G | 74.9 | Confident | 77.2 | Confident | 10 Ų | 10 | 77.4 Ų | 77.4 | 10% | 0.103 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 144.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G108 K146 | G108-G253 WeakPolarHBondContact O-CA 3.24Å; K146-G253 PolarHBondContact O-N 3.26Å |
| 254 | P | 81.1 | Confident | 76.3 | Confident | 80 Ų | 80 | 75.8 Ų | 75.8 | 52% | 0.519 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 151.6 | 179.2 | 27.3 | -35 | 0 | 0 | 0 | 111.3 | A110 G111 G145 | A110-P254 HydrophobicContact CB-CG 3.89Å; G111-P254 PolarHBondContact N-O 3.42Å; G145-P254 PolarHBondContact N-O 3.49Å |
| 255 | P | 80.8 | Confident | 75.3 | Confident | 98 Ų | 98 | 80 Ų | 80 | 64% | 0.636 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 147.3 | 171.5 | -23.3 | 33.5 | 0 | 0 | 0 | 112.1 | ||
| 256 | G | 79.6 | Confident | 74.1 | Confident | 4 Ų | 4 | 81.9 Ų | 81.9 | 4% | 0.041 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 146.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | G111 G142 A143 | G111-G256 VanDerWaalsContact C-CA 3.48Å; G111-G256 WeakPolarHBondContact O-CA 3.39Å; G142-G256 PolarHBondContact N-O 3.19Å; A143-G256 PolarHBondContact O-N 2.94Å |
| 257 | P | 83.7 | Confident | 73 | Confident | 79 Ų | 79 | 86.2 Ų | 86.2 | 51% | 0.513 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 158.5 | 179.3 | 27.1 | -34.3 | 0 | 0 | 0 | 111.7 | P113 G114 G142 | P113-P257 HydrophobicContact CB-CG 3.83Å; P113-P257 HydrophobicContact CG-CG 3.76Å; G114-P257 PolarHBondContact N-O 3.01Å; G142-P257 PolarHBondContact N-O 3.39Å; G142-P257 VanDerWaalsContact N-O 3.16Å |
| 258 | V | 83 | Confident | 72.1 | Confident | 82 Ų | 82 | 87.1 Ų | 87.1 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | B | Isolated β-bridge | trans | -60.3 | 136.9 | 172.2 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | P138 G139 I141 | P138-V258 HydrophobicContact CB-CG1 3.78Å; G139-V258 VanDerWaalsContact O-CG1 3.28Å; G139-V258 WeakPolarHBondContact O-CG1 3.01Å; I141-V258 HydrophobicContact CG1-CG2 3.99Å |
| 259 | G | 78.8 | Confident | 71 | Confident | 4 Ų | 4 | 82.4 Ų | 82.4 | 4% | 0.041 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 148.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G114 G139 P140 | G114-G259 WeakPolarHBondContact O-CA 3.21Å; G139-G259 PolarHBondContact N-O 2.77Å; P140-G259 PolarHBondContact O-N 2.88Å; P140-G259 VanDerWaalsContact O-N 3.07Å |
| 260 | D | 80.9 | Confident | 69.8 | Low | 119 Ų | 119 | 82.5 Ų | 82.5 | 64% | 0.636 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 153.8 | -179 | -70.5 | -40.9 | 0 | 0 | 0 | 112.4 | P116 G117 G262 | P116-D260 CarbonylContact C-O 3.49Å; P116-D260 VanDerWaalsContact CA-O 3.24Å; P116-D260 WeakPolarHBondContact CA-O 3.4Å; G117-D260 PolarHBondContact N-O 2.74Å; D260-G262 PolarHBondContact O-N 3.19Å |
| 261 | P | 75.5 | Confident | 68.9 | Low | 52 Ų | 52 | 86.5 Ų | 86.5 | 34% | 0.338 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 138.4 | 168.3 | -24.6 | 35.1 | 0 | 0 | 0 | 111.6 | P135 N263 | P135-P261 HydrophobicContact CB-CB 4.22Å; P261-N263 PolarHBondContact O-N 2.83Å; P261-N263 PolarHBondContact O-ND2 3.09Å; P261-N263 PolarHBondContact O-OD1 2.91Å |
| 262 | G | 67.3 | Low | 67.6 | Low | 5 Ų | 5 | 82.5 Ų | 82.5 | 5% | 0.052 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 120.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G117 G136 D260 | G117-G262 WeakPolarHBondContact O-CA 3.18Å; G136-G262 PolarHBondContact N-O 3.3Å; D260-G262 PolarHBondContact O-N 3.19Å |
| 263 | N | 64.7 | Low | 66.3 | Low | 113 Ų | 113 | 88.1 Ų | 88.1 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | trans | -127.5 | 70.1 | -173.3 | -67.3 | -27.7 | 0 | 0 | 0 | 112 | P261 A265 | P261-N263 PolarHBondContact O-N 2.83Å; P261-N263 PolarHBondContact O-ND2 3.09Å; P261-N263 PolarHBondContact O-OD1 2.91Å; N263-A265 PolarHBondContact O-N 3.11Å | ||
| 264 | D | 59.7 | Low | 65.2 | Low | 83 Ų | 83 | 93.8 Ų | 93.8 | 44% | 0.444 | 53% | 0.53 | S | S | . | . | trans | -90.9 | 75 | 173.1 | -65.8 | -29.7 | 0 | 0 | 0 | 111 | Q266 Y267 | D264-Q266 PolarHBondContact O-N 2.05Å; D264-Y267 HydrophobicContact CB-CD2 4.43Å; D264-Y267 PolarHBondContact O-N 2.75Å; D264-Y267 VanDerWaalsContact O-N 3.16Å | ||
| 265 | A | 53.2 | Low | 63.5 | Low | 92 Ų | 92 | 98.1 Ų | 98.1 | 76% | 0.76 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -13.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N263 | N263-A265 PolarHBondContact O-N 3.11Š|
| 266 | Q | 52.5 | Low | 61.9 | Low | 182 Ų | 182 | 98.3 Ų | 98.3 | 85% | 0.85 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -17.6 | 176.5 | -83.1 | 169.8 | -7.1 | 0 | 0 | 114.4 | D264 | D264-Q266 PolarHBondContact O-N 2.05Š|
| 267 | Y | 54.2 | Low | 60.4 | Low | 178 Ų | 178 | 106.9 Ų | 106.9 | 70% | 0.698 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -106.4 | -0.4 | -178.8 | -89.9 | -85.9 | 0 | 0 | 0 | 114.8 | D264 P269 | D264-Y267 HydrophobicContact CB-CD2 4.43Å; D264-Y267 PolarHBondContact O-N 2.75Å; D264-Y267 VanDerWaalsContact O-N 3.16Å; Y267-P269 WeakPolarHBondContact O-CD 3.34Å |
| 268 | C | 54.1 | Low | 58.9 | Low | 30 Ų | 30 | 112.3 Ų | 112.3 | 20% | 0.203 | 60% | 0.602 | C | S | . | * | S | Bend | trans | -93.6 | 106.1 | 171.1 | -59.4 | 0 | 0 | 0 | 0 | 108.3 | C133 C270 | C133-C268 HydrophobicContact CB-CB 4.44Å; C133-C268 WeakPolarHBondContact CB-SG 3.31Å; C133-C268 WeakPolarHBondContact SG-CB 3.34Å; C133-C268 CovalentContact SG-SG 2.05Å; C133-C268 PolarHBondContact SG-SG 3.16Å; C268-C270 PolarHBondContact O-N 3.02Å |
| 269 | P | 56.1 | Low | 57.3 | Low | 115 Ų | 115 | 118.2 Ų | 118.2 | 75% | 0.747 | 62% | 0.616 | S | S | * | * | trans | -73 | 76.4 | 176.6 | 31.8 | -34.9 | 0 | 0 | 0 | 108.7 | C130 Y267 | C130-P269 PolarHBondContact SG-O 3.06Å; C130-P269 VanDerWaalsContact SG-O 3.37Å; Y267-P269 WeakPolarHBondContact O-CD 3.34Å | ||
| 270 | C | 52.7 | Low | 56.2 | Low | 71 Ų | 71 | 129.3 Ų | 129.3 | 48% | 0.48 | 66% | 0.656 | S | S | . | * | trans | -92.3 | 112.6 | 159 | -66.8 | 0 | 0 | 0 | 0 | 106.5 | C130 C268 | C130-C270 HydrophobicContact CB-CB 4.48Å; C130-C270 VanDerWaalsContact CB-SG 3.52Å; C268-C270 PolarHBondContact O-N 3.02Å | ||
| 271 | P | 53.7 | Low | 55.2 | Low | 96 Ų | 96 | 131.6 Ų | 131.6 | 62% | 0.623 | 66% | 0.66 | S | S | * | * | trans | -56.8 | 141.7 | 166.2 | 25.7 | -30.9 | 0 | 0 | 0 | 107.5 | R273 | P271-R273 PolarHBondContact O-N 3.09Å; P271-R273 VanDerWaalsContact O-N 3.09Å | ||
| 272 | P | 53.6 | Low | 53.9 | Low | 116 Ų | 116 | 138.8 Ų | 138.8 | 75% | 0.753 | 69% | 0.686 | S | S | * | * | trans | -51.6 | 126.7 | 175.7 | 21.7 | -31.6 | 0 | 0 | 0 | 107.6 | T274 | P272-T274 VanDerWaalsContact C-N 3.28Å; P272-T274 PolarHBondContact O-N 3.37Å | ||
| 273 | R | 52.5 | Low | 53 | Low | 241 Ų | 241 | 149.9 Ų | 149.9 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | trans | -54.1 | 100.9 | 170.9 | -97.9 | -173.8 | 176.9 | -160.1 | 1.2 | 106.3 | P271 Q275 | P271-R273 PolarHBondContact O-N 3.09Å; P271-R273 VanDerWaalsContact O-N 3.09Å; R273-Q275 PolarHBondContact O-N 2.97Å | ||
| 274 | T | 51.4 | Low | 52.4 | Low | 129 Ų | 129 | 151.7 Ų | 151.7 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -64 | 94.8 | 160.2 | 44.7 | 0 | 0 | 0 | 0 | 104.9 | P272 S276 | P272-T274 VanDerWaalsContact C-N 3.28Å; P272-T274 PolarHBondContact O-N 3.37Å; T274-S276 PolarHBondContact O-N 3.04Å | ||
| 275 | Q | 45.2 | Very low | 52 | Low | 171 Ų | 171 | 155.3 Ų | 155.3 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | trans | -54.4 | 135.6 | 166.2 | -63.2 | -173.1 | 11.6 | 0 | 0 | 106.9 | R273 | R273-Q275 PolarHBondContact O-N 2.97Š| ||
| 276 | S | 48.1 | Very low | 52 | Low | 102 Ų | 102 | 158.8 Ų | 158.8 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | 76.2 | 130 | 166.1 | 84.7 | 0 | 0 | 0 | 0 | 115.1 | T274 | T274-S276 PolarHBondContact O-N 3.04Š| ||
| 277 | K | 47.9 | Very low | 51.9 | Low | 184 Ų | 184 | 157.5 Ų | 157.5 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | cis | -151.4 | 113.2 | 26.7 | -69.3 | 172.3 | 178.6 | 171.9 | 0 | 108.9 | R279 | K277-R279 VanDerWaalsContact C-N 3.26Å; K277-R279 PolarHBondContact O-N 3.09Å | ||
| 278 | Q | 51.1 | Low | 51.8 | Low | 193 Ų | 193 | 156.2 Ų | 156.2 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | trans | -66.2 | 92.8 | 155.8 | -84.2 | -176.9 | -16.2 | 0 | 0 | 107.9 | R280 | Q278-R280 VanDerWaalsContact C-N 3.26Å; Q278-R280 PolarHBondContact O-N 3.09Å | ||
| 279 | R | 50.7 | Low | 51.7 | Low | 207 Ų | 207 | 164.6 Ų | 164.6 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | trans | -72 | 88.7 | 162.2 | -120.2 | -175.4 | 164.5 | -156.4 | -1.5 | 106.8 | K277 K281 | K277-R279 VanDerWaalsContact C-N 3.26Å; K277-R279 PolarHBondContact O-N 3.09Å; R279-K281 PolarHBondContact O-N 3.18Å | ||
| 280 | R | 55.6 | Low | 51.3 | Low | 237 Ų | 237 | 168.1 Ų | 168.1 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | trans | -58 | 103.1 | 157.5 | -87.7 | -178.3 | 168.8 | -176 | -3.3 | 107.2 | Q278 | Q278-R280 VanDerWaalsContact C-N 3.26Å; Q278-R280 PolarHBondContact O-N 3.09Å | ||
| 281 | K | 58.8 | Low | 51.2 | Low | 166 Ų | 166 | 175.6 Ų | 175.6 | 72% | 0.722 | 83% | 0.832 | S | S | * | * | trans | -103.5 | 104.6 | 156.6 | -102.4 | -173.5 | 172.7 | -169.8 | 0 | 106.7 | R279 | R279-K281 PolarHBondContact O-N 3.18Š| ||
| 282 | K | 49.6 | Very low | 51 | Low | 203 Ų | 203 | 182.3 Ų | 182.3 | 88% | 0.883 | 85% | 0.85 | S | S | * | * | trans | -69.6 | 120.5 | 155.5 | -87.1 | -176.4 | 169.4 | -168.7 | 0 | 106.7 | ||||
| 283 | L | 48 | Very low | 50.8 | Low | 238 Ų | 238 | 188.3 Ų | 188.3 | 100% | 1.246 | 86% | 0.858 | S | S | * | * | trans | -138.1 | 0 | 142.5 | -114.1 | 107.3 | 0 | 0 | 0 | 106.2 |
Retrieved 283 of 283 residues in 660.5 ms
(Link to these results)