| 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 | 52.4 | Low | 63.6 | Low | 217 Ų | 217 | 136.8 Ų | 136.8 | 100% | 1.069 | 67% | 0.667 | S | S | * | * | 0 | -35.1 | 0 | -76.6 | -178.7 | -162.9 | 0 | 0 | 115.2 | |||||
| 2 | R | 52.2 | Low | 64.3 | Low | 236 Ų | 236 | 131.5 Ų | 131.5 | 89% | 0.891 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.9 | -38.7 | -179.8 | -79.5 | -179.2 | 175.8 | 173.5 | -1.8 | 114.7 | L4 K5 S6 | R2-L4 VanDerWaalsContact C-N 3.35Å; R2-L4 PolarHBondContact O-N 3.47Å; R2-K5 PolarHBondContact O-N 3.48Å; R2-S6 PolarHBondContact O-N 3.14Å |
| 3 | A | 54.6 | Low | 65 | Low | 83 Ų | 83 | 128.8 Ų | 128.8 | 69% | 0.686 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.7 | -36.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S6 F7 | A3-S6 PolarHBondContact O-N 3.13Å; A3-F7 PolarHBondContact O-N 3.28Å |
| 4 | L | 55 | Low | 65.3 | Low | 115 Ų | 115 | 124.5 Ų | 124.5 | 60% | 0.602 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71.1 | -32.9 | -178.9 | -153.6 | 77.4 | 0 | 0 | 0 | 112.5 | R2 R8 | R2-L4 VanDerWaalsContact C-N 3.35Å; R2-L4 PolarHBondContact O-N 3.47Å; L4-R8 WeakPolarHBondContact O-CG 3.34Å; L4-R8 PolarHBondContact O-N 3.4Å |
| 5 | K | 57.8 | Low | 65.5 | Low | 162 Ų | 162 | 125 Ų | 125 | 70% | 0.704 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.7 | -42.8 | 172.1 | -83.5 | -173.8 | 173.9 | -175.6 | 0 | 111.3 | R2 F7 R8 V9 | R2-K5 PolarHBondContact O-N 3.48Å; K5-F7 VanDerWaalsContact C-N 3.31Å; K5-F7 PolarHBondContact O-N 3.11Å; K5-R8 PolarHBondContact O-N 3.36Å; K5-V9 WeakPolarHBondContact O-CG2 3.37Å; K5-V9 PolarHBondContact O-N 3.46Å; K5-V9 VanDerWaalsContact O-N 3.08Å |
| 6 | S | 63.5 | Low | 65.6 | Low | 72 Ų | 72 | 122.6 Ų | 122.6 | 50% | 0.503 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -62.5 | -39.1 | 177.3 | -161.5 | 0 | 0 | 0 | 0 | 112.1 | R2 A3 V9 F10 | R2-S6 PolarHBondContact O-N 3.14Å; A3-S6 PolarHBondContact O-N 3.13Å; S6-V9 PolarHBondContact O-N 3.08Å; S6-F10 PolarHBondContact O-N 3.27Å |
| 7 | F | 69.1 | Low | 65.2 | Low | 140 Ų | 140 | 121.4 Ų | 121.4 | 61% | 0.614 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.3 | -42.6 | 177.3 | -172.5 | -101.4 | 0 | 0 | 0 | 112.4 | A3 K5 V9 F10 V11 | A3-F7 PolarHBondContact O-N 3.28Å; K5-F7 VanDerWaalsContact C-N 3.31Å; K5-F7 PolarHBondContact O-N 3.11Å; F7-V9 VanDerWaalsContact C-N 3.34Å; F7-V9 PolarHBondContact O-N 3.32Å; F7-F10 PolarHBondContact O-N 2.92Å; F7-V11 HydrophobicContact CD1-CG2 4.14Å; F7-V11 HydrophobicContact CE1-CG2 3.79Å; F7-V11 HydrophobicContact CE2-CG2 4.42Å; F7-V11 HydrophobicContact CZ-CG2 3.95Å; F7-V11 WeakPolarHBondContact O-CG2 3.3Å; F7-V11 PolarHBondContact O-N 2.9Å |
| 8 | R | 70.1 | Confident | 64.9 | Low | 183 Ų | 183 | 117.7 Ų | 117.7 | 69% | 0.691 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.6 | -38.1 | 175.8 | -75 | -176.7 | 173.5 | -172 | -2.3 | 112.8 | L4 K5 S12 | L4-R8 WeakPolarHBondContact O-CG 3.34Å; L4-R8 PolarHBondContact O-N 3.4Å; K5-R8 PolarHBondContact O-N 3.36Å; R8-S12 WeakPolarHBondContact O-CB 3.35Å; R8-S12 PolarHBondContact O-N 3.13Å |
| 9 | V | 73.8 | Confident | 64.6 | Low | 99 Ų | 99 | 120.5 Ų | 120.5 | 60% | 0.6 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.4 | -42.5 | 175.3 | 173 | 0 | 0 | 0 | 0 | 110.8 | K5 S6 F7 S12 L13 | K5-V9 WeakPolarHBondContact O-CG2 3.37Å; K5-V9 PolarHBondContact O-N 3.46Å; K5-V9 VanDerWaalsContact O-N 3.08Å; S6-V9 PolarHBondContact O-N 3.08Å; F7-V9 VanDerWaalsContact C-N 3.34Å; F7-V9 PolarHBondContact O-N 3.32Å; V9-S12 PolarHBondContact O-N 3.42Å; V9-L13 WeakPolarHBondContact O-CB 3.37Å; V9-L13 PolarHBondContact O-N 3.14Å |
| 10 | F | 73.6 | Confident | 64.1 | Low | 132 Ų | 132 | 118.5 Ų | 118.5 | 58% | 0.579 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.7 | -45 | 176.9 | -119.1 | -87.7 | 0 | 0 | 0 | 112.4 | S6 F7 S12 L13 C14 | S6-F10 PolarHBondContact O-N 3.27Å; F7-F10 PolarHBondContact O-N 2.92Å; F10-S12 VanDerWaalsContact C-N 3.33Å; F10-S12 PolarHBondContact O-N 3.19Å; F10-L13 PolarHBondContact O-N 3.4Å; F10-C14 WeakPolarHBondContact O-CB 3.23Å; F10-C14 PolarHBondContact O-N 3.33Å; F10-C14 PolarHBondContact O-SG 3.18Å |
| 11 | V | 77.3 | Confident | 63.4 | Low | 66 Ų | 66 | 117.6 Ų | 117.6 | 40% | 0.4 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.1 | -40 | 177.5 | 173.4 | 0 | 0 | 0 | 0 | 111 | F7 C14 F15 | F7-V11 HydrophobicContact CD1-CG2 4.14Å; F7-V11 HydrophobicContact CE1-CG2 3.79Å; F7-V11 HydrophobicContact CE2-CG2 4.42Å; F7-V11 HydrophobicContact CZ-CG2 3.95Å; F7-V11 WeakPolarHBondContact O-CG2 3.3Å; F7-V11 PolarHBondContact O-N 2.9Å; V11-C14 PolarHBondContact O-N 3.32Å; V11-F15 WeakPolarHBondContact O-CB 3.44Å; V11-F15 PolarHBondContact O-N 3.44Å |
| 12 | S | 72.9 | Confident | 63.1 | Low | 73 Ų | 73 | 111 Ų | 111 | 51% | 0.51 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.3 | -40 | 175.1 | -170.2 | 0 | 0 | 0 | 0 | 112.3 | R8 V9 F10 F15 V16 | R8-S12 WeakPolarHBondContact O-CB 3.35Å; R8-S12 PolarHBondContact O-N 3.13Å; V9-S12 PolarHBondContact O-N 3.42Å; F10-S12 VanDerWaalsContact C-N 3.33Å; F10-S12 PolarHBondContact O-N 3.19Å; S12-F15 PolarHBondContact O-N 3.39Å; S12-V16 VanDerWaalsContact O-CG2 3.32Å; S12-V16 WeakPolarHBondContact O-CG2 3.32Å; S12-V16 PolarHBondContact O-N 3.37Å |
| 13 | L | 72.3 | Confident | 62.8 | Low | 97 Ų | 97 | 104.4 Ų | 104.4 | 51% | 0.508 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.3 | -42.4 | 176.7 | -166 | 87.7 | 0 | 0 | 0 | 110.9 | V9 F10 F15 V16 L17 | V9-L13 WeakPolarHBondContact O-CB 3.37Å; V9-L13 PolarHBondContact O-N 3.14Å; F10-L13 PolarHBondContact O-N 3.4Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-V16 PolarHBondContact O-N 3.25Å; L13-L17 HydrophobicContact CD2-CD1 4.23Å; L13-L17 HydrophobicContact CG-CD1 4.13Å; L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.32Å; L13-L17 PolarHBondContact O-N 3.16Å |
| 14 | C | 69.4 | Low | 62.4 | Low | 68 Ų | 68 | 104 Ų | 104 | 46% | 0.459 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.8 | -37.2 | 174.7 | -69.4 | 0 | 0 | 0 | 0 | 112.1 | F10 V11 A18 | F10-C14 WeakPolarHBondContact O-CB 3.23Å; F10-C14 PolarHBondContact O-N 3.33Å; F10-C14 PolarHBondContact O-SG 3.18Å; V11-C14 PolarHBondContact O-N 3.32Å; C14-A18 VanDerWaalsContact O-CB 3.26Å; C14-A18 WeakPolarHBondContact O-CB 3.34Å; C14-A18 PolarHBondContact O-N 2.93Å |
| 15 | F | 68.1 | Low | 62.1 | Low | 132 Ų | 132 | 102.3 Ų | 102.3 | 58% | 0.579 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.7 | -50.9 | 173 | -116.9 | -100.2 | 0 | 0 | 0 | 110.5 | V11 S12 L13 L17 A18 Y19 | V11-F15 WeakPolarHBondContact O-CB 3.44Å; V11-F15 PolarHBondContact O-N 3.44Å; S12-F15 PolarHBondContact O-N 3.39Å; L13-F15 VanDerWaalsContact C-N 3.34Å; F15-L17 VanDerWaalsContact C-N 3.33Å; F15-L17 PolarHBondContact O-N 3.14Å; F15-A18 PolarHBondContact O-N 3.21Å; F15-Y19 HydrophobicContact CD1-CD2 4.04Å; F15-Y19 AromaticContact CD1-CE2 3.53Å; F15-Y19 HydrophobicContact CD1-CE2 3.53Å; F15-Y19 AromaticContact CE1-CE2 3.74Å; F15-Y19 HydrophobicContact CE1-CE2 3.74Å; F15-Y19 VanDerWaalsContact O-CD2 3.27Å; F15-Y19 WeakPolarHBondContact O-CD2 3.45Å; F15-Y19 PolarHBondContact O-N 3.48Å |
| 16 | V | 67.7 | Low | 62 | Low | 87 Ų | 87 | 100.2 Ų | 100.2 | 53% | 0.527 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.8 | -43.4 | 178.3 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | S12 L13 A18 Y19 T20 | S12-V16 VanDerWaalsContact O-CG2 3.32Å; S12-V16 WeakPolarHBondContact O-CG2 3.32Å; S12-V16 PolarHBondContact O-N 3.37Å; L13-V16 PolarHBondContact O-N 3.25Å; V16-A18 PolarHBondContact O-N 2.93Å; V16-Y19 PolarHBondContact O-N 3.25Å; V16-T20 WeakPolarHBondContact O-CG2 3.38Å; V16-T20 PolarHBondContact O-N 3.48Å; V16-T20 PolarHBondContact O-OG1 3.21Å |
| 17 | L | 59.5 | Low | 61.4 | Low | 101 Ų | 101 | 102.8 Ų | 102.8 | 53% | 0.529 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.7 | -38.6 | 177.1 | -73.5 | 168.4 | 0 | 0 | 0 | 112.6 | L13 F15 T20 S21 | L13-L17 HydrophobicContact CD2-CD1 4.23Å; L13-L17 HydrophobicContact CG-CD1 4.13Å; L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.32Å; L13-L17 PolarHBondContact O-N 3.16Å; F15-L17 VanDerWaalsContact C-N 3.33Å; F15-L17 PolarHBondContact O-N 3.14Å; L17-T20 WeakPolarHBondContact CA-OG1 3.27Å; L17-T20 PolarHBondContact O-N 3.03Å; L17-T20 PolarHBondContact O-OG1 3.18Å; L17-S21 PolarHBondContact O-N 3.21Å; L17-S21 PolarHBondContact O-OG 3.44Å |
| 18 | A | 59.7 | Low | 60.7 | Low | 56 Ų | 56 | 99.2 Ų | 99.2 | 46% | 0.463 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.3 | -38.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C14 F15 V16 T20 S21 A22 | C14-A18 VanDerWaalsContact O-CB 3.26Å; C14-A18 WeakPolarHBondContact O-CB 3.34Å; C14-A18 PolarHBondContact O-N 2.93Å; F15-A18 PolarHBondContact O-N 3.21Å; V16-A18 PolarHBondContact O-N 2.93Å; A18-T20 VanDerWaalsContact C-N 3.35Å; A18-S21 WeakPolarHBondContact CA-OG 3.36Å; A18-S21 PolarHBondContact O-N 3.5Å; A18-S21 PolarHBondContact O-OG 3.38Å; A18-A22 PolarHBondContact O-N 3.03Å |
| 19 | Y | 58.7 | Low | 60.1 | Low | 170 Ų | 170 | 94.2 Ų | 94.2 | 67% | 0.667 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.6 | -35.4 | 173.5 | -87.7 | -93.8 | 0 | 0 | 0 | 112 | F15 V16 A22 | F15-Y19 HydrophobicContact CD1-CD2 4.04Å; F15-Y19 AromaticContact CD1-CE2 3.53Å; F15-Y19 HydrophobicContact CD1-CE2 3.53Å; F15-Y19 AromaticContact CE1-CE2 3.74Å; F15-Y19 HydrophobicContact CE1-CE2 3.74Å; F15-Y19 VanDerWaalsContact O-CD2 3.27Å; F15-Y19 WeakPolarHBondContact O-CD2 3.45Å; F15-Y19 PolarHBondContact O-N 3.48Å; V16-Y19 PolarHBondContact O-N 3.25Å; Y19-A22 PolarHBondContact O-N 2.99Å |
| 20 | T | 53.8 | Low | 59.2 | Low | 81 Ų | 81 | 93.8 Ų | 93.8 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -75.5 | -25 | 176.1 | 55.3 | 0 | 0 | 0 | 0 | 114 | V16 L17 A18 A22 T23 | V16-T20 WeakPolarHBondContact O-CG2 3.38Å; V16-T20 PolarHBondContact O-N 3.48Å; V16-T20 PolarHBondContact O-OG1 3.21Å; L17-T20 WeakPolarHBondContact CA-OG1 3.27Å; L17-T20 PolarHBondContact O-N 3.03Å; L17-T20 PolarHBondContact O-OG1 3.18Å; A18-T20 VanDerWaalsContact C-N 3.35Å; T20-A22 VanDerWaalsContact C-N 3.29Å; T20-T23 PolarHBondContact O-OG1 3.03Å |
| 21 | S | 49.3 | Very low | 58.7 | Low | 99 Ų | 99 | 88.4 Ų | 88.4 | 69% | 0.692 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -79.2 | -12.2 | 174.5 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | L17 A18 | L17-S21 PolarHBondContact O-N 3.21Å; L17-S21 PolarHBondContact O-OG 3.44Å; A18-S21 WeakPolarHBondContact CA-OG 3.36Å; A18-S21 PolarHBondContact O-N 3.5Å; A18-S21 PolarHBondContact O-OG 3.38Å |
| 22 | A | 46.3 | Very low | 58.1 | Low | 78 Ų | 78 | 85.9 Ų | 85.9 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 4.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A18 Y19 T20 A24 | A18-A22 PolarHBondContact O-N 3.03Å; Y19-A22 PolarHBondContact O-N 2.99Å; T20-A22 VanDerWaalsContact C-N 3.29Å; A22-A24 PolarHBondContact O-N 2.93Å |
| 23 | T | 46.1 | Very low | 58.1 | Low | 99 Ų | 99 | 87.1 Ų | 87.1 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | trans | -79.6 | 67.1 | 166.1 | 62.2 | 0 | 0 | 0 | 0 | 108.9 | T20 D25 | T20-T23 PolarHBondContact O-OG1 3.03Å; T23-D25 PolarHBondContact O-N 3.2Å | ||
| 24 | A | 46.9 | Very low | 58.5 | Low | 75 Ų | 75 | 82.8 Ų | 82.8 | 62% | 0.62 | 50% | 0.499 | S | S | * | . | trans | -55.1 | 132.9 | 146.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | A22 V26 | A22-A24 PolarHBondContact O-N 2.93Å; A24-V26 PolarHBondContact O-N 3.45Å | ||
| 25 | D | 49.2 | Very low | 59.2 | Low | 78 Ų | 78 | 82.1 Ų | 82.1 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | trans | -34.8 | 112.7 | -175.5 | -76.6 | -99.9 | 0 | 0 | 0 | 110.9 | T23 F27 D28 R64 | T23-D25 PolarHBondContact O-N 3.2Å; D25-F27 PolarHBondContact O-N 3.43Å; D25-D28 WeakPolarHBondContact O-CB 3.33Å; D25-D28 PolarHBondContact O-N 2.99Å; D25-R64 IonicContact OD1-CZ 2.71Å; D25-R64 IonicContact OD1-NH1 3.95Å; D25-R64 PolarHBondContact OD1-NH1 3.33Å; D25-R64 IonicContact OD1-NH2 3.99Å; D25-R64 PolarHBondContact OD1-NH2 3.08Å | ||
| 26 | V | 55.1 | Low | 60.2 | Low | 118 Ų | 118 | 78.5 Ų | 78.5 | 72% | 0.715 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -18.7 | -179.7 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | A24 | A24-V26 PolarHBondContact O-N 3.45Š|
| 27 | F | 51.2 | Low | 61.3 | Low | 127 Ų | 127 | 74.3 Ų | 74.3 | 56% | 0.557 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -17.1 | 177.2 | -61.7 | -77.9 | 0 | 0 | 0 | 114.9 | D25 G29 V30 L31 | D25-F27 PolarHBondContact O-N 3.43Å; F27-G29 VanDerWaalsContact C-N 3.25Å; F27-G29 PolarHBondContact O-N 3.34Å; F27-V30 PolarHBondContact O-N 3.44Å; F27-V30 VanDerWaalsContact O-N 3.07Å; F27-L31 HydrophobicContact CB-CD1 3.65Å; F27-L31 HydrophobicContact CB-CG 4.19Å; F27-L31 VanDerWaalsContact O-CB 3.3Å; F27-L31 WeakPolarHBondContact O-CB 3.37Å; F27-L31 WeakPolarHBondContact O-CG 3.24Å; F27-L31 PolarHBondContact O-N 2.92Å |
| 28 | D | 54.5 | Low | 62.8 | Low | 65 Ų | 65 | 71.9 Ų | 71.9 | 35% | 0.348 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.1 | -30.8 | -180 | -91.6 | -4.6 | 0 | 0 | 0 | 112.4 | D25 V30 G32 | D25-D28 WeakPolarHBondContact O-CB 3.33Å; D25-D28 PolarHBondContact O-N 2.99Å; D28-V30 VanDerWaalsContact C-N 3.25Å; D28-V30 PolarHBondContact O-N 2.99Å; D28-G32 PolarHBondContact O-N 3.28Å |
| 29 | G | 56.1 | Low | 64.3 | Low | 77 Ų | 77 | 75.9 Ų | 75.9 | 79% | 0.794 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -68.1 | -23 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F27 | F27-G29 VanDerWaalsContact C-N 3.25Å; F27-G29 PolarHBondContact O-N 3.34Å |
| 30 | V | 56.4 | Low | 65.8 | Low | 91 Ų | 91 | 70.3 Ų | 70.3 | 55% | 0.552 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -107.9 | -38.7 | -174.2 | 179.9 | 0 | 0 | 0 | 0 | 112 | F27 D28 G32 F71 | F27-V30 PolarHBondContact O-N 3.44Å; F27-V30 VanDerWaalsContact O-N 3.07Å; D28-V30 VanDerWaalsContact C-N 3.25Å; D28-V30 PolarHBondContact O-N 2.99Å; V30-G32 VanDerWaalsContact C-N 3.25Å; V30-G32 PolarHBondContact O-N 2.99Å; V30-F71 HydrophobicContact CG1-CD2 4.06Å; V30-F71 HydrophobicContact CG1-CE2 3.6Å; V30-F71 HydrophobicContact CG1-CZ 3.97Å |
| 31 | L | 61.9 | Low | 67.6 | Low | 18 Ų | 18 | 66.4 Ų | 66.4 | 9% | 0.094 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -81.1 | -8.8 | 177.5 | -63.1 | 175.7 | 0 | 0 | 0 | 112.5 | F27 S67 I68 F71 | F27-L31 HydrophobicContact CB-CD1 3.65Å; F27-L31 HydrophobicContact CB-CG 4.19Å; F27-L31 VanDerWaalsContact O-CB 3.3Å; F27-L31 WeakPolarHBondContact O-CB 3.37Å; F27-L31 WeakPolarHBondContact O-CG 3.24Å; F27-L31 PolarHBondContact O-N 2.92Å; L31-S67 WeakPolarHBondContact O-CB 3.48Å; L31-S67 PolarHBondContact O-OG 3.46Å; L31-I68 HydrophobicContact CD1-CD1 4.38Å; L31-I68 HydrophobicContact CD1-CG1 3.76Å; L31-I68 HydrophobicContact CD2-CB 4.37Å; L31-I68 HydrophobicContact CD2-CG1 3.73Å; L31-I68 HydrophobicContact CG-CG1 4.41Å; L31-F71 HydrophobicContact CD2-CB 4.09Å; L31-F71 HydrophobicContact CD2-CG 4.4Å |
| 32 | G | 65.2 | Low | 69.6 | Low | 14 Ų | 14 | 66.9 Ų | 66.9 | 14% | 0.144 | 41% | 0.407 | C | S | . | . | trans | 75.4 | 158.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D28 V30 T34 | D28-G32 PolarHBondContact O-N 3.28Å; V30-G32 VanDerWaalsContact C-N 3.25Å; V30-G32 PolarHBondContact O-N 2.99Å; G32-T34 PolarHBondContact O-N 3.37Å | ||
| 33 | N | 73 | Confident | 71.5 | Confident | 99 Ų | 99 | 70.1 Ų | 70.1 | 53% | 0.529 | 41% | 0.411 | S | S | . | . | trans | -62.9 | 115.1 | -171.8 | -169.1 | -1.3 | 0 | 0 | 0 | 112.8 | A35 R116 | N33-A35 WeakPolarHBondContact OD1-CB 3.34Å; N33-A35 PolarHBondContact OD1-N 3.26Å; N33-R116 PolarHBondContact O-NH2 3.22Å | ||
| 34 | T | 80.8 | Confident | 73.5 | Confident | 6 Ų | 6 | 68.7 Ų | 68.7 | 4% | 0.037 | 40% | 0.402 | C | S | . | . | trans | -93.6 | -1.4 | 174.7 | 57.8 | 0 | 0 | 0 | 0 | 113.3 | G32 S36 C37 H38 | G32-T34 PolarHBondContact O-N 3.37Å; T34-S36 PolarHBondContact O-N 2.88Å; T34-C37 PolarHBondContact O-N 3.36Å; T34-H38 PolarHBondContact O-N 3.37Å; T34-H38 PolarHBondContact OG1-CE1 2.87Å | ||
| 35 | A | 84.1 | Confident | 75.3 | Confident | 53 Ų | 53 | 65.5 Ų | 65.5 | 44% | 0.438 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.4 | -33.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N33 H38 K39 | N33-A35 WeakPolarHBondContact OD1-CB 3.34Å; N33-A35 PolarHBondContact OD1-N 3.26Å; A35-H38 PolarHBondContact O-N 3.26Å; A35-K39 WeakPolarHBondContact O-CB 3.48Å; A35-K39 PolarHBondContact O-N 2.88Å |
| 36 | S | 88.4 | Confident | 76.7 | Confident | 56 Ų | 56 | 63.5 Ų | 63.5 | 39% | 0.392 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 175.3 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | T34 K39 T40 | T34-S36 PolarHBondContact O-N 2.88Å; S36-K39 PolarHBondContact O-N 3.29Å; S36-T40 PolarHBondContact O-N 2.99Å; S36-T40 PolarHBondContact O-OG1 2.95Å |
| 37 | C | 91.1 | Very high | 77.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -71.2 | -39.3 | 177.2 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | T34 K39 T40 C41 C63 G105 | T34-C37 PolarHBondContact O-N 3.36Å; C37-K39 VanDerWaalsContact C-N 3.28Å; C37-K39 PolarHBondContact O-N 3.46Å; C37-T40 WeakPolarHBondContact O-CA 3.43Å; C37-T40 WeakPolarHBondContact O-CB 3.45Å; C37-T40 PolarHBondContact O-N 3.3Å; C37-C41 PolarHBondContact O-N 3.33Å; C37-C63 VanDerWaalsContact C-SG 3.59Å; C37-C63 HydrophobicContact CB-CB 3.69Å; C37-C63 WeakPolarHBondContact CB-SG 3.27Å; C37-C63 WeakPolarHBondContact SG-CB 3.26Å; C37-C63 CovalentContact SG-SG 2.04Å; C37-C63 PolarHBondContact SG-SG 3.01Å; C37-G105 PolarHBondContact SG-O 3.49Å; C37-G105 VanDerWaalsContact SG-O 3.41Å |
| 38 | H | 91.1 | Very high | 78.4 | Confident | 49 Ų | 49 | 66.2 Ų | 66.2 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.6 | -38.8 | 174 | -70 | 162.2 | 0 | 0 | 0 | 112.6 | T34 A35 C41 Q42 Q60 | T34-H38 PolarHBondContact O-N 3.37Å; T34-H38 PolarHBondContact OG1-CE1 2.87Å; A35-H38 PolarHBondContact O-N 3.26Å; H38-C41 PolarHBondContact O-N 2.91Å; H38-Q42 WeakPolarHBondContact O-CG 3.47Å; H38-Q42 PolarHBondContact O-N 3.43Å; H38-Q60 HydrophobicContact CB-CG 4.49Å; H38-Q60 PolarHBondContact NE2-O 2.77Å; H38-Q60 VanDerWaalsContact NE2-O 3.13Å |
| 39 | K | 90.9 | Very high | 79.3 | Confident | 141 Ų | 141 | 68.2 Ų | 68.2 | 61% | 0.613 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.6 | -41.3 | 173.6 | -169.8 | 176.7 | -178 | 178.4 | 0 | 111.7 | A35 S36 C37 Q42 M43 | A35-K39 WeakPolarHBondContact O-CB 3.48Å; A35-K39 PolarHBondContact O-N 2.88Å; S36-K39 PolarHBondContact O-N 3.29Å; C37-K39 VanDerWaalsContact C-N 3.28Å; C37-K39 PolarHBondContact O-N 3.46Å; K39-Q42 PolarHBondContact O-N 2.83Å; K39-M43 VanDerWaalsContact O-CG 3.3Å; K39-M43 WeakPolarHBondContact O-CG 3.39Å; K39-M43 PolarHBondContact O-N 3.33Å; K39-M43 VanDerWaalsContact O-N 3.07Å |
| 40 | T | 90.9 | Very high | 80.1 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 32% | 0.319 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 173.3 | -54.2 | 0 | 0 | 0 | 0 | 111 | S36 C37 Q42 M43 T44 | S36-T40 PolarHBondContact O-N 2.99Å; S36-T40 PolarHBondContact O-OG1 2.95Å; C37-T40 WeakPolarHBondContact O-CA 3.43Å; C37-T40 WeakPolarHBondContact O-CB 3.45Å; C37-T40 PolarHBondContact O-N 3.3Å; T40-Q42 PolarHBondContact O-N 3.39Å; T40-M43 PolarHBondContact O-N 2.95Å; T40-T44 PolarHBondContact O-N 3.37Å; T40-T44 PolarHBondContact O-OG1 3.18Å |
| 41 | C | 91.2 | Very high | 80.6 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 176 | -70.3 | 0 | 0 | 0 | 0 | 112.6 | C37 H38 M43 T44 Y45 L56 C59 Q60 | C37-C41 PolarHBondContact O-N 3.33Å; H38-C41 PolarHBondContact O-N 2.91Å; C41-M43 VanDerWaalsContact C-N 3.31Å; C41-M43 PolarHBondContact O-N 2.71Å; C41-T44 PolarHBondContact O-N 3.34Å; C41-Y45 PolarHBondContact O-N 3.42Å; C41-L56 HydrophobicContact CB-CD1 4.23Å; C41-L56 WeakPolarHBondContact O-CD1 3.24Å; C41-C59 HydrophobicContact CB-CB 3.77Å; C41-C59 WeakPolarHBondContact CB-SG 3.09Å; C41-C59 WeakPolarHBondContact SG-CB 3.1Å; C41-C59 CovalentContact SG-SG 2.05Å; C41-C59 PolarHBondContact SG-SG 3.15Å; C41-Q60 HydrophobicContact CB-CG 4.16Å |
| 42 | Q | 90.8 | Very high | 81.2 | Confident | 108 Ų | 108 | 75.1 Ų | 75.1 | 51% | 0.505 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.8 | -34.7 | 177.5 | -74.2 | 174.7 | -0.5 | 0 | 0 | 113.2 | H38 K39 T40 S46 L56 | H38-Q42 WeakPolarHBondContact O-CG 3.47Å; H38-Q42 PolarHBondContact O-N 3.43Å; K39-Q42 PolarHBondContact O-N 2.83Å; T40-Q42 PolarHBondContact O-N 3.39Å; Q42-S46 PolarHBondContact O-N 3.3Å; Q42-L56 HydrophobicContact CB-CD1 4.48Å; Q42-L56 HydrophobicContact CG-CD1 4.15Å |
| 43 | M | 87.9 | Confident | 82 | Confident | 146 Ų | 146 | 80.8 Ų | 80.8 | 72% | 0.719 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -73.5 | -37.8 | 176.3 | -68.2 | -64.8 | -62.3 | 0 | 0 | 111.7 | K39 T40 C41 | K39-M43 VanDerWaalsContact O-CG 3.3Å; K39-M43 WeakPolarHBondContact O-CG 3.39Å; K39-M43 PolarHBondContact O-N 3.33Å; K39-M43 VanDerWaalsContact O-N 3.07Å; T40-M43 PolarHBondContact O-N 2.95Å; C41-M43 VanDerWaalsContact C-N 3.31Å; C41-M43 PolarHBondContact O-N 2.71Å |
| 44 | T | 86.8 | Confident | 82.7 | Confident | 69 Ų | 69 | 80.7 Ų | 80.7 | 42% | 0.423 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -75.3 | -47.4 | -179.6 | -50.4 | 0 | 0 | 0 | 0 | 112.2 | T40 C41 S46 L104 | T40-T44 PolarHBondContact O-N 3.37Å; T40-T44 PolarHBondContact O-OG1 3.18Å; C41-T44 PolarHBondContact O-N 3.34Å; T44-S46 PolarHBondContact O-N 2.91Å; T44-L104 HydrophobicContact CG2-CD2 3.67Å |
| 45 | Y | 84.1 | Confident | 83 | Confident | 8 Ų | 8 | 80.6 Ų | 80.6 | 3% | 0.031 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 57.3 | 178.6 | -66.5 | -75.3 | 0 | 0 | 0 | 110.6 | C41 Y50 E55 C59 A101 L104 | C41-Y45 PolarHBondContact O-N 3.42Å; Y45-Y50 HydrophobicContact CD1-CD1 4.47Å; Y45-Y50 AromaticContact CD1-CD2 3.75Å; Y45-Y50 HydrophobicContact CD1-CD2 3.75Å; Y45-Y50 HydrophobicContact CD1-CE2 4.02Å; Y45-Y50 AromaticContact CD1-CG 3.97Å; Y45-Y50 HydrophobicContact CD1-CG 3.97Å; Y45-Y50 HydrophobicContact CE1-CD2 4.18Å; Y45-Y50 AromaticContact CE1-CE2 3.96Å; Y45-Y50 HydrophobicContact CE1-CE2 3.96Å; Y45-E55 HydrophobicContact CD1-CB 3.81Å; Y45-E55 HydrophobicContact CE1-CB 3.85Å; Y45-E55 WeakPolarHBondContact CE1-OE2 2.81Å; Y45-E55 HydrophobicContact CG-CB 4.4Å; Y45-C59 HydrophobicContact CD2-CB 4.02Å; Y45-C59 HydrophobicContact CE2-CB 4.04Å; Y45-A101 HydrophobicContact CE1-CB 4.34Å; Y45-A101 HydrophobicContact CE2-CB 3.73Å; Y45-A101 VanDerWaalsContact OH-CA 3.27Å; Y45-A101 WeakPolarHBondContact OH-CA 3.44Å; Y45-A101 WeakPolarHBondContact OH-CB 3.38Å; Y45-L104 HydrophobicContact CD2-CD2 4.48Å; Y45-L104 HydrophobicContact CE2-CD2 3.67Å |
| 46 | S | 79.6 | Confident | 83.3 | Confident | 37 Ų | 37 | 79.5 Ų | 79.5 | 26% | 0.259 | 40% | 0.402 | S | S | . | . | trans | -68.5 | 137.1 | 174.4 | 78.3 | 0 | 0 | 0 | 0 | 110.1 | Q42 T44 H48 T49 Y50 | Q42-S46 PolarHBondContact O-N 3.3Å; T44-S46 PolarHBondContact O-N 2.91Å; S46-H48 PolarHBondContact O-N 3.34Å; S46-T49 PolarHBondContact O-N 3.42Å; S46-T49 PolarHBondContact OG-OG1 3.11Å; S46-Y50 PolarHBondContact O-N 3.35Å | ||
| 47 | L | 72.7 | Confident | 83.4 | Confident | 109 Ų | 109 | 82.8 Ų | 82.8 | 57% | 0.571 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -22.2 | 177.2 | -81.7 | 151.6 | 0 | 0 | 0 | 114.1 | Y50 E53 | L47-Y50 CarbonylContact C-O 3.53Å; L47-Y50 WeakPolarHBondContact CA-O 3.33Å; L47-E53 HydrophobicContact CD2-CG 3.67Å |
| 48 | H | 70 | Confident | 83.5 | Confident | 193 Ų | 193 | 82.8 Ų | 82.8 | 89% | 0.894 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -29.7 | 177.2 | -98.1 | -64.4 | 0 | 0 | 0 | 113.6 | S46 | S46-H48 PolarHBondContact O-N 3.34Š|
| 49 | T | 72.8 | Confident | 83.6 | Confident | 107 Ų | 107 | 80.5 Ų | 80.5 | 66% | 0.656 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -32.4 | -178.6 | -47.5 | 0 | 0 | 0 | 0 | 111.2 | S46 | S46-T49 PolarHBondContact O-N 3.42Å; S46-T49 PolarHBondContact OG-OG1 3.11Å |
| 50 | Y | 72.4 | Confident | 83.6 | Confident | 86 Ų | 86 | 75.9 Ų | 75.9 | 34% | 0.337 | 38% | 0.377 | S | S | . | . | trans | -118.1 | 114 | 177.1 | -96.7 | -82.3 | 0 | 0 | 0 | 110.4 | Y45 S46 L47 R52 E55 | Y45-Y50 HydrophobicContact CD1-CD1 4.47Å; Y45-Y50 AromaticContact CD1-CD2 3.75Å; Y45-Y50 HydrophobicContact CD1-CD2 3.75Å; Y45-Y50 HydrophobicContact CD1-CE2 4.02Å; Y45-Y50 AromaticContact CD1-CG 3.97Å; Y45-Y50 HydrophobicContact CD1-CG 3.97Å; Y45-Y50 HydrophobicContact CE1-CD2 4.18Å; Y45-Y50 AromaticContact CE1-CE2 3.96Å; Y45-Y50 HydrophobicContact CE1-CE2 3.96Å; S46-Y50 PolarHBondContact O-N 3.35Å; L47-Y50 CarbonylContact C-O 3.53Å; L47-Y50 WeakPolarHBondContact CA-O 3.33Å; Y50-R52 PolarHBondContact O-N 3.33Å; Y50-E55 VanDerWaalsContact CD1-CD 3.43Å; Y50-E55 VanDerWaalsContact CD1-OE1 3.24Å; Y50-E55 WeakPolarHBondContact CD1-OE1 3.27Å; Y50-E55 WeakPolarHBondContact CD1-OE2 3.09Å; Y50-E55 WeakPolarHBondContact CE1-OE1 3.11Å; Y50-E55 WeakPolarHBondContact CE1-OE2 3.18Å | ||
| 51 | P | 66.8 | Low | 83.7 | Confident | 120 Ų | 120 | 79.4 Ų | 79.4 | 78% | 0.779 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -75.6 | -9.5 | -180 | 30 | -33.8 | 0 | 0 | 0 | 113.3 | ||
| 52 | R | 75 | Confident | 83.8 | Confident | 124 Ų | 124 | 79.4 Ų | 79.4 | 47% | 0.468 | 38% | 0.384 | S | S | . | . | trans | -101.5 | 121.3 | 179.6 | -66.6 | -167.7 | 176.8 | 173.2 | 0.2 | 111.1 | Y50 E54 E97 | Y50-R52 PolarHBondContact O-N 3.33Å; R52-E54 PolarHBondContact O-N 3.42Å; R52-E97 IonicContact NH1-OE2 2.91Å | ||
| 53 | E | 82.3 | Confident | 83.9 | Confident | 133 Ų | 133 | 74.2 Ų | 74.2 | 62% | 0.621 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -74 | -16.3 | 175.7 | -69.1 | 179.6 | 177.7 | 0 | 0 | 113 | L47 E55 L56 Y57 | L47-E53 HydrophobicContact CD2-CG 3.67Å; E53-E55 VanDerWaalsContact C-N 3.34Å; E53-E55 PolarHBondContact O-N 3.35Å; E53-L56 PolarHBondContact O-N 2.97Å; E53-Y57 PolarHBondContact O-N 2.04Å; E53-Y57 VanDerWaalsContact O-N 3.11Å |
| 54 | E | 86.7 | Confident | 84.1 | Confident | 98 Ų | 98 | 71.5 Ų | 71.5 | 46% | 0.458 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | -177 | -61.8 | 171.2 | -171.9 | 0 | 0 | 111.6 | R52 Y57 A58 | R52-E54 PolarHBondContact O-N 3.42Å; E54-Y57 PolarHBondContact O-N 3.09Å; E54-A58 WeakPolarHBondContact O-CB 3.28Å; E54-A58 PolarHBondContact O-N 3.32Å |
| 55 | E | 87.8 | Confident | 84.3 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.019 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.6 | -40 | 180 | -61.1 | 174.1 | -139.1 | 0 | 0 | 112.3 | Y45 Y50 E53 Y57 A58 C59 E97 A101 | Y45-E55 HydrophobicContact CD1-CB 3.81Å; Y45-E55 HydrophobicContact CE1-CB 3.85Å; Y45-E55 WeakPolarHBondContact CE1-OE2 2.81Å; Y45-E55 HydrophobicContact CG-CB 4.4Å; Y50-E55 VanDerWaalsContact CD1-CD 3.43Å; Y50-E55 VanDerWaalsContact CD1-OE1 3.24Å; Y50-E55 WeakPolarHBondContact CD1-OE1 3.27Å; Y50-E55 WeakPolarHBondContact CD1-OE2 3.09Å; Y50-E55 WeakPolarHBondContact CE1-OE1 3.11Å; Y50-E55 WeakPolarHBondContact CE1-OE2 3.18Å; E53-E55 VanDerWaalsContact C-N 3.34Å; E53-E55 PolarHBondContact O-N 3.35Å; E55-Y57 VanDerWaalsContact C-N 3.29Å; E55-Y57 PolarHBondContact O-N 2.91Å; E55-A58 PolarHBondContact O-N 3.27Å; E55-C59 PolarHBondContact O-N 2.95Å; E55-E97 HydrophobicContact CG-CB 4.42Å; E55-A101 HydrophobicContact CB-CB 4.09Å; E55-A101 VanDerWaalsContact O-CB 3.28Å; E55-A101 WeakPolarHBondContact O-CB 3.12Å |
| 56 | L | 90.3 | Very high | 84.7 | Confident | 30 Ų | 30 | 69.6 Ų | 69.6 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.1 | -44 | 174.9 | 176.8 | 67.1 | 0 | 0 | 0 | 110.6 | C41 Q42 E53 C59 Q60 | C41-L56 HydrophobicContact CB-CD1 4.23Å; C41-L56 WeakPolarHBondContact O-CD1 3.24Å; Q42-L56 HydrophobicContact CB-CD1 4.48Å; Q42-L56 HydrophobicContact CG-CD1 4.15Å; E53-L56 PolarHBondContact O-N 2.97Å; L56-C59 PolarHBondContact O-N 3.47Å; L56-Q60 WeakPolarHBondContact O-CG 3.47Å; L56-Q60 PolarHBondContact O-N 3.03Å; L56-Q60 VanDerWaalsContact O-N 3.08Å |
| 57 | Y | 90 | Very high | 85.2 | Confident | 124 Ų | 124 | 68 Ų | 68 | 49% | 0.486 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.9 | -38.2 | 179.1 | -173.9 | -109.2 | 0 | 0 | 0 | 112.1 | E53 E54 E55 Q60 R61 | E53-Y57 PolarHBondContact O-N 2.04Å; E53-Y57 VanDerWaalsContact O-N 3.11Å; E54-Y57 PolarHBondContact O-N 3.09Å; E55-Y57 VanDerWaalsContact C-N 3.29Å; E55-Y57 PolarHBondContact O-N 2.91Å; Y57-Q60 PolarHBondContact O-N 2.88Å; Y57-R61 HydrophobicContact CE1-CG 4.33Å; Y57-R61 PolarHBondContact O-N 3.4Å; Y57-R61 PolarHBondContact OH-NE 3.45Å; Y57-R61 PolarHBondContact OH-NH2 2.92Å; Y57-R61 VanDerWaalsContact OH-NH2 3.16Å |
| 58 | A | 93.2 | Very high | 85.9 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | E54 E55 R61 G62 Y93 E98 A101 | E54-A58 WeakPolarHBondContact O-CB 3.28Å; E54-A58 PolarHBondContact O-N 3.32Å; E55-A58 PolarHBondContact O-N 3.27Å; A58-R61 WeakPolarHBondContact O-CB 3.05Å; A58-R61 PolarHBondContact O-N 3.42Å; A58-G62 PolarHBondContact O-N 3.46Å; A58-Y93 HydrophobicContact CB-CE1 4.15Å; A58-Y93 HydrophobicContact CB-CE2 4.43Å; A58-E98 HydrophobicContact CB-CB 4.21Å; A58-A101 HydrophobicContact CB-CB 4.14Å |
| 59 | C | 93.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 174.6 | -174 | 0 | 0 | 0 | 0 | 112.3 | C41 Y45 E55 L56 R61 G62 C63 A101 | C41-C59 HydrophobicContact CB-CB 3.77Å; C41-C59 WeakPolarHBondContact CB-SG 3.09Å; C41-C59 WeakPolarHBondContact SG-CB 3.1Å; C41-C59 CovalentContact SG-SG 2.05Å; C41-C59 PolarHBondContact SG-SG 3.15Å; Y45-C59 HydrophobicContact CD2-CB 4.02Å; Y45-C59 HydrophobicContact CE2-CB 4.04Å; E55-C59 PolarHBondContact O-N 2.95Å; L56-C59 PolarHBondContact O-N 3.47Å; C59-R61 VanDerWaalsContact C-N 3.29Å; C59-R61 PolarHBondContact O-N 3.46Å; C59-G62 WeakPolarHBondContact O-CA 3.44Å; C59-G62 PolarHBondContact O-N 3.47Å; C59-G62 VanDerWaalsContact O-N 3.09Å; C59-C63 PolarHBondContact O-N 3.32Å; C59-C63 PolarHBondContact O-SG 3.49Å; C59-A101 VanDerWaalsContact CA-O 3.23Å; C59-A101 WeakPolarHBondContact CA-O 3.47Å; C59-A101 HydrophobicContact CB-CB 4.35Å; C59-A101 WeakPolarHBondContact CB-O 3.47Å |
| 60 | Q | 92.1 | Very high | 87.5 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 21% | 0.206 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -35.1 | 178.3 | -70.2 | 177.3 | 5.6 | 0 | 0 | 112.6 | H38 C41 L56 Y57 C63 R64 | H38-Q60 HydrophobicContact CB-CG 4.49Å; H38-Q60 PolarHBondContact NE2-O 2.77Å; H38-Q60 VanDerWaalsContact NE2-O 3.13Å; C41-Q60 HydrophobicContact CB-CG 4.16Å; L56-Q60 WeakPolarHBondContact O-CG 3.47Å; L56-Q60 PolarHBondContact O-N 3.03Å; L56-Q60 VanDerWaalsContact O-N 3.08Å; Y57-Q60 PolarHBondContact O-N 2.88Å; Q60-C63 PolarHBondContact O-N 2.85Å; Q60-R64 PolarHBondContact O-N 2.98Å |
| 61 | R | 91.8 | Very high | 88.1 | Confident | 126 Ų | 126 | 56.9 Ų | 56.9 | 48% | 0.475 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 170.2 | -88.2 | -179 | 171.2 | 176 | 0.6 | 111.9 | Y57 A58 C59 C63 R64 L65 Y93 | Y57-R61 HydrophobicContact CE1-CG 4.33Å; Y57-R61 PolarHBondContact O-N 3.4Å; Y57-R61 PolarHBondContact OH-NE 3.45Å; Y57-R61 PolarHBondContact OH-NH2 2.92Å; Y57-R61 VanDerWaalsContact OH-NH2 3.16Å; A58-R61 WeakPolarHBondContact O-CB 3.05Å; A58-R61 PolarHBondContact O-N 3.42Å; C59-R61 VanDerWaalsContact C-N 3.29Å; C59-R61 PolarHBondContact O-N 3.46Å; R61-C63 VanDerWaalsContact C-N 3.32Å; R61-C63 PolarHBondContact O-N 2.88Å; R61-R64 PolarHBondContact O-N 2.94Å; R61-R64 VanDerWaalsContact O-N 3.15Å; R61-L65 WeakPolarHBondContact O-CB 3.47Å; R61-L65 PolarHBondContact O-N 3.15Å; R61-Y93 VanDerWaalsContact CD-OH 3.24Å; R61-Y93 WeakPolarHBondContact CD-OH 3.49Å |
| 62 | G | 93.4 | Very high | 89 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.6 | -43.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A58 C59 R64 L65 F66 | A58-G62 PolarHBondContact O-N 3.46Å; C59-G62 WeakPolarHBondContact O-CA 3.44Å; C59-G62 PolarHBondContact O-N 3.47Å; C59-G62 VanDerWaalsContact O-N 3.09Å; G62-R64 VanDerWaalsContact C-N 3.34Å; G62-R64 PolarHBondContact O-N 2.89Å; G62-L65 PolarHBondContact O-N 3.34Å; G62-F66 PolarHBondContact O-N 3.42Å |
| 63 | C | 92.8 | Very high | 89 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.3 | -44.7 | 174.5 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | C37 C59 Q60 R61 | C37-C63 VanDerWaalsContact C-SG 3.59Å; C37-C63 HydrophobicContact CB-CB 3.69Å; C37-C63 WeakPolarHBondContact CB-SG 3.27Å; C37-C63 WeakPolarHBondContact SG-CB 3.26Å; C37-C63 CovalentContact SG-SG 2.04Å; C37-C63 PolarHBondContact SG-SG 3.01Å; C59-C63 PolarHBondContact O-N 3.32Å; C59-C63 PolarHBondContact O-SG 3.49Å; Q60-C63 PolarHBondContact O-N 2.85Å; R61-C63 VanDerWaalsContact C-N 3.32Å; R61-C63 PolarHBondContact O-N 2.88Å |
| 64 | R | 91.9 | Very high | 88.1 | Confident | 88 Ų | 88 | 52 Ų | 52 | 33% | 0.332 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -70.6 | -38 | 178.8 | -176.8 | 176.3 | 176.8 | 156.1 | 2.2 | 111.7 | D25 Q60 R61 G62 S67 I68 | D25-R64 IonicContact OD1-CZ 2.71Å; D25-R64 IonicContact OD1-NH1 3.95Å; D25-R64 PolarHBondContact OD1-NH1 3.33Å; D25-R64 IonicContact OD1-NH2 3.99Å; D25-R64 PolarHBondContact OD1-NH2 3.08Å; Q60-R64 PolarHBondContact O-N 2.98Å; R61-R64 PolarHBondContact O-N 2.94Å; R61-R64 VanDerWaalsContact O-N 3.15Å; G62-R64 VanDerWaalsContact C-N 3.34Å; G62-R64 PolarHBondContact O-N 2.89Å; R64-S67 WeakPolarHBondContact O-CB 3.38Å; R64-S67 PolarHBondContact O-N 3.35Å; R64-I68 HydrophobicContact CG-CD1 4.18Å; R64-I68 WeakPolarHBondContact O-CG1 3.13Å; R64-I68 PolarHBondContact O-N 3.43Å; R64-I68 VanDerWaalsContact O-N 3.16Å |
| 65 | L | 92.1 | Very high | 87.2 | Confident | 38 Ų | 38 | 48.6 Ų | 48.6 | 20% | 0.199 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 179.3 | -176.2 | 63 | 0 | 0 | 0 | 111.3 | R61 G62 S67 I68 C69 T88 | R61-L65 WeakPolarHBondContact O-CB 3.47Å; R61-L65 PolarHBondContact O-N 3.15Å; G62-L65 PolarHBondContact O-N 3.34Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 2.88Å; L65-I68 WeakPolarHBondContact O-CA 3.3Å; L65-I68 WeakPolarHBondContact O-CB 3.38Å; L65-I68 PolarHBondContact O-N 2.91Å; L65-C69 PolarHBondContact O-N 3.17Å; L65-C69 PolarHBondContact O-SG 2.93Å; L65-C69 VanDerWaalsContact O-SG 3.36Å; L65-T88 HydrophobicContact CD1-CG2 3.96Å; L65-T88 HydrophobicContact CD2-CG2 3.86Å; L65-T88 HydrophobicContact CG-CG2 4.44Å |
| 66 | F | 92.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.4 | -46.1 | 176.4 | -176.8 | -83.4 | 0 | 0 | 0 | 111.9 | G62 I68 C69 Q70 T81 K82 C85 C106 Q109 L110 A113 | G62-F66 PolarHBondContact O-N 3.42Å; F66-I68 VanDerWaalsContact C-N 3.26Å; F66-I68 PolarHBondContact O-N 2.98Å; F66-C69 PolarHBondContact O-N 3.27Å; F66-Q70 WeakPolarHBondContact O-CB 3.43Å; F66-Q70 PolarHBondContact O-N 2.99Å; F66-T81 HydrophobicContact CD2-CG2 4.5Å; F66-T81 HydrophobicContact CE2-CG2 4.15Å; F66-T81 HydrophobicContact CZ-CG2 4.15Å; F66-K82 HydrophobicContact CE2-CB 4.06Å; F66-C85 VanDerWaalsContact CA-SG 3.56Å; F66-C85 HydrophobicContact CD2-CB 4.21Å; F66-C85 PolarHBondContact N-SG 3Å; F66-C85 VanDerWaalsContact N-SG 3.42Å; F66-C106 HydrophobicContact CD2-CB 4.45Å; F66-Q109 HydrophobicContact CB-CB 4Å; F66-Q109 HydrophobicContact CB-CG 4Å; F66-Q109 HydrophobicContact CD1-CB 3.88Å; F66-Q109 HydrophobicContact CD1-CG 3.43Å; F66-Q109 VanDerWaalsContact CD1-CG 3.43Å; F66-Q109 HydrophobicContact CE1-CG 4.23Å; F66-Q109 HydrophobicContact CG-CB 3.93Å; F66-Q109 HydrophobicContact CG-CG 3.92Å; F66-L110 HydrophobicContact CE2-CD1 4Å; F66-L110 HydrophobicContact CZ-CB 4.49Å; F66-L110 HydrophobicContact CZ-CD1 3.77Å; F66-A113 HydrophobicContact CE1-CB 3.62Å; F66-A113 HydrophobicContact CZ-CB 4.28Å |
| 67 | S | 89.4 | Confident | 86.3 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61 | -33.9 | 176.1 | -78.8 | 0 | 0 | 0 | 0 | 113.2 | L31 R64 L65 F71 | L31-S67 WeakPolarHBondContact O-CB 3.48Å; L31-S67 PolarHBondContact O-OG 3.46Å; R64-S67 WeakPolarHBondContact O-CB 3.38Å; R64-S67 PolarHBondContact O-N 3.35Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 2.88Å; S67-F71 WeakPolarHBondContact O-CB 3.5Å; S67-F71 PolarHBondContact O-N 2.82Å; S67-F71 VanDerWaalsContact O-N 3.11Å |
| 68 | I | 88.3 | Confident | 86.2 | Confident | 64 Ų | 64 | 54.2 Ų | 54.2 | 33% | 0.328 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -70.8 | -46.5 | 175.7 | -64.6 | 163.9 | 0 | 0 | 0 | 110.1 | L31 R64 L65 F66 Q70 F71 V72 | L31-I68 HydrophobicContact CD1-CD1 4.38Å; L31-I68 HydrophobicContact CD1-CG1 3.76Å; L31-I68 HydrophobicContact CD2-CB 4.37Å; L31-I68 HydrophobicContact CD2-CG1 3.73Å; L31-I68 HydrophobicContact CG-CG1 4.41Å; R64-I68 HydrophobicContact CG-CD1 4.18Å; R64-I68 WeakPolarHBondContact O-CG1 3.13Å; R64-I68 PolarHBondContact O-N 3.43Å; R64-I68 VanDerWaalsContact O-N 3.16Å; L65-I68 WeakPolarHBondContact O-CA 3.3Å; L65-I68 WeakPolarHBondContact O-CB 3.38Å; L65-I68 PolarHBondContact O-N 2.91Å; F66-I68 VanDerWaalsContact C-N 3.26Å; F66-I68 PolarHBondContact O-N 2.98Å; I68-Q70 VanDerWaalsContact C-N 3.26Å; I68-Q70 PolarHBondContact O-N 3.29Å; I68-F71 PolarHBondContact O-N 3.48Å; I68-F71 VanDerWaalsContact O-N 3.1Å; I68-V72 HydrophobicContact CG2-CG2 4.2Å; I68-V72 WeakPolarHBondContact O-CG2 3.08Å; I68-V72 PolarHBondContact O-N 2.9Å |
| 69 | C | 89.6 | Confident | 86.1 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 11% | 0.108 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.2 | -40.5 | 175.7 | -64.7 | 0 | 0 | 0 | 0 | 111 | L65 F66 F71 G73 T81 | L65-C69 PolarHBondContact O-N 3.17Å; L65-C69 PolarHBondContact O-SG 2.93Å; L65-C69 VanDerWaalsContact O-SG 3.36Å; F66-C69 PolarHBondContact O-N 3.27Å; C69-F71 VanDerWaalsContact C-N 3.32Å; C69-F71 PolarHBondContact O-N 3.41Å; C69-G73 WeakPolarHBondContact O-CA 3.06Å; C69-G73 PolarHBondContact O-N 3.42Å; C69-T81 HydrophobicContact CB-CG2 3.65Å |
| 70 | Q | 87.1 | Confident | 86.1 | Confident | 50 Ų | 50 | 63.8 Ų | 63.8 | 23% | 0.234 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.3 | -35.7 | 176.6 | -169.9 | -179.5 | 7.2 | 0 | 0 | 112.4 | F66 I68 L78 T81 | F66-Q70 WeakPolarHBondContact O-CB 3.43Å; F66-Q70 PolarHBondContact O-N 2.99Å; I68-Q70 VanDerWaalsContact C-N 3.26Å; I68-Q70 PolarHBondContact O-N 3.29Å; Q70-L78 HydrophobicContact CG-CD2 4.26Å; Q70-T81 HydrophobicContact CB-CG2 3.86Å; Q70-T81 VanDerWaalsContact N-CG2 3.26Å |
| 71 | F | 83.8 | Confident | 86 | Confident | 133 Ų | 133 | 61.7 Ų | 61.7 | 58% | 0.583 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -77.2 | -36.3 | -179.4 | 178.7 | -98.2 | 0 | 0 | 0 | 112.8 | V30 L31 S67 I68 C69 | V30-F71 HydrophobicContact CG1-CD2 4.06Å; V30-F71 HydrophobicContact CG1-CE2 3.6Å; V30-F71 HydrophobicContact CG1-CZ 3.97Å; L31-F71 HydrophobicContact CD2-CB 4.09Å; L31-F71 HydrophobicContact CD2-CG 4.4Å; S67-F71 WeakPolarHBondContact O-CB 3.5Å; S67-F71 PolarHBondContact O-N 2.82Å; S67-F71 VanDerWaalsContact O-N 3.11Å; I68-F71 PolarHBondContact O-N 3.48Å; I68-F71 VanDerWaalsContact O-N 3.1Å; C69-F71 VanDerWaalsContact C-N 3.32Å; C69-F71 PolarHBondContact O-N 3.41Å |
| 72 | V | 85.3 | Confident | 86.1 | Confident | 109 Ų | 109 | 58 Ų | 58 | 66% | 0.661 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -84.2 | -34.1 | -178.9 | 176 | 0 | 0 | 0 | 0 | 111.7 | I68 D74 | I68-V72 HydrophobicContact CG2-CG2 4.2Å; I68-V72 WeakPolarHBondContact O-CG2 3.08Å; I68-V72 PolarHBondContact O-N 2.9Å; V72-D74 PolarHBondContact O-N 2.97Å |
| 73 | G | 76.1 | Confident | 86.1 | Confident | 21 Ų | 21 | 62.6 Ų | 62.6 | 22% | 0.216 | 32% | 0.324 | C | S | . | . | trans | -69.8 | 124.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | C69 S75 | C69-G73 WeakPolarHBondContact O-CA 3.06Å; C69-G73 PolarHBondContact O-N 3.42Å; G73-S75 PolarHBondContact O-N 3.43Å; G73-S75 VanDerWaalsContact O-N 3.11Å | ||
| 74 | D | 64 | Low | 86.1 | Confident | 145 Ų | 145 | 65.5 Ų | 65.5 | 78% | 0.775 | 34% | 0.338 | S | S | * | . | trans | -70.1 | 7.6 | 165.9 | -93 | -16.3 | 0 | 0 | 0 | 111.6 | V72 K278 | V72-D74 PolarHBondContact O-N 2.97Å; D74-K278 IonicContact OD1-NZ 3.56Å; D74-K278 IonicContact OD2-NZ 3.9Å; D74-K278 PolarHBondContact OD2-NZ 2.73Å | ||
| 75 | S | 66.6 | Low | 86.2 | Confident | 25 Ų | 25 | 61.3 Ų | 61.3 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | trans | -83.8 | 121 | -175.9 | 49.6 | 0 | 0 | 0 | 0 | 111.2 | G73 D77 | G73-S75 PolarHBondContact O-N 3.43Å; G73-S75 VanDerWaalsContact O-N 3.11Å; S75-D77 PolarHBondContact O-N 2.86Å | ||
| 76 | E | 71.4 | Confident | 86.4 | Confident | 154 Ų | 154 | 61.5 Ų | 61.5 | 72% | 0.72 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -70.9 | -16.9 | 170.9 | -149.8 | 172.4 | -166.9 | 0 | 0 | 111.4 | L78 Q117 | E76-L78 PolarHBondContact O-N 2.99Å; E76-Q117 PolarHBondContact O-NE2 2.93Å |
| 77 | D | 87 | Confident | 86.5 | Confident | 110 Ų | 110 | 64.8 Ų | 64.8 | 59% | 0.588 | 35% | 0.346 | S | S | * | . | trans | -86.3 | 100.9 | -177.4 | -70.3 | -36.3 | 0 | 0 | 0 | 112.6 | S75 N79 Q80 T81 | S75-D77 PolarHBondContact O-N 2.86Å; D77-N79 PolarHBondContact O-N 2.84Å; D77-N79 VanDerWaalsContact O-N 3.13Å; D77-Q80 HydrophobicContact CB-CB 4.15Å; D77-Q80 WeakPolarHBondContact O-CB 3.38Å; D77-Q80 PolarHBondContact O-N 3.07Å; D77-T81 PolarHBondContact O-N 3.16Å; D77-T81 PolarHBondContact O-OG1 3.16Å | ||
| 78 | L | 89.1 | Confident | 86.7 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 7% | 0.068 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.3 | -26.3 | 178.2 | -62.7 | 175.1 | 0 | 0 | 0 | 114.2 | Q70 E76 Q80 T81 K82 L110 A113 E114 | Q70-L78 HydrophobicContact CG-CD2 4.26Å; E76-L78 PolarHBondContact O-N 2.99Å; L78-Q80 VanDerWaalsContact C-N 3.32Å; L78-T81 PolarHBondContact O-N 3.07Å; L78-K82 PolarHBondContact O-N 3.38Å; L78-L110 HydrophobicContact CB-CD1 3.67Å; L78-L110 WeakPolarHBondContact O-CD1 3.07Å; L78-A113 HydrophobicContact CD1-CB 4.25Å; L78-A113 HydrophobicContact CD2-CB 4.1Å; L78-E114 HydrophobicContact CD1-CB 4.05Å; L78-E114 HydrophobicContact CD1-CG 3.32Å |
| 79 | N | 91.7 | Very high | 87.1 | Confident | 109 Ų | 109 | 64.1 Ų | 64.1 | 58% | 0.583 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.4 | -34.9 | 174.1 | -74.9 | -45.5 | 0 | 0 | 0 | 112 | D77 K82 V83 | D77-N79 PolarHBondContact O-N 2.84Å; D77-N79 VanDerWaalsContact O-N 3.13Å; N79-K82 PolarHBondContact O-N 3.36Å; N79-V83 WeakPolarHBondContact O-CG2 3.13Å; N79-V83 PolarHBondContact O-N 3.45Å |
| 80 | Q | 91.7 | Very high | 87.3 | Confident | 93 Ų | 93 | 69.3 Ų | 69.3 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.3 | -47 | 174.9 | -177.2 | -177.7 | -21.7 | 0 | 0 | 110 | D77 L78 K82 V83 E84 | D77-Q80 HydrophobicContact CB-CB 4.15Å; D77-Q80 WeakPolarHBondContact O-CB 3.38Å; D77-Q80 PolarHBondContact O-N 3.07Å; L78-Q80 VanDerWaalsContact C-N 3.32Å; Q80-K82 PolarHBondContact O-N 2.04Å; Q80-V83 PolarHBondContact O-N 3.32Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.06Å; Q80-E84 PolarHBondContact NE2-OE1 2.81Å; Q80-E84 PolarHBondContact O-N 3.13Å |
| 81 | T | 91.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -54.7 | -37.7 | 175.2 | -45.2 | 0 | 0 | 0 | 0 | 112.2 | F66 C69 Q70 D77 L78 E84 C85 | F66-T81 HydrophobicContact CD2-CG2 4.5Å; F66-T81 HydrophobicContact CE2-CG2 4.15Å; F66-T81 HydrophobicContact CZ-CG2 4.15Å; C69-T81 HydrophobicContact CB-CG2 3.65Å; Q70-T81 HydrophobicContact CB-CG2 3.86Å; Q70-T81 VanDerWaalsContact N-CG2 3.26Å; D77-T81 PolarHBondContact O-N 3.16Å; D77-T81 PolarHBondContact O-OG1 3.16Å; L78-T81 PolarHBondContact O-N 3.07Å; T81-E84 PolarHBondContact O-N 3.34Å; T81-C85 WeakPolarHBondContact O-CB 3.32Å; T81-C85 PolarHBondContact O-N 3.42Å |
| 82 | K | 93.4 | Very high | 88 | Confident | 47 Ų | 47 | 72.1 Ų | 72.1 | 20% | 0.204 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62 | -47.6 | 174.5 | -173.8 | -163.7 | 169.2 | -171.4 | 0 | 111.9 | F66 L78 N79 Q80 E84 C85 D86 L110 | F66-K82 HydrophobicContact CE2-CB 4.06Å; L78-K82 PolarHBondContact O-N 3.38Å; N79-K82 PolarHBondContact O-N 3.36Å; Q80-K82 PolarHBondContact O-N 2.04Å; K82-E84 VanDerWaalsContact C-N 3.27Å; K82-E84 PolarHBondContact O-N 3.5Å; K82-C85 WeakPolarHBondContact O-CB 3.42Å; K82-C85 PolarHBondContact O-N 2.05Å; K82-C85 VanDerWaalsContact O-N 3.15Å; K82-D86 PolarHBondContact O-N 2.93Å; K82-L110 HydrophobicContact CB-CD1 4.45Å; K82-L110 HydrophobicContact CD-CD2 4.44Å |
| 83 | V | 93.3 | Very high | 88.3 | Confident | 97 Ų | 97 | 68.2 Ų | 68.2 | 59% | 0.588 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.4 | -37.6 | -179.9 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | N79 Q80 D86 S87 | N79-V83 WeakPolarHBondContact O-CG2 3.13Å; N79-V83 PolarHBondContact O-N 3.45Å; Q80-V83 PolarHBondContact O-N 3.32Å; V83-D86 PolarHBondContact O-N 2.99Å; V83-S87 WeakPolarHBondContact O-CB 3.37Å; V83-S87 PolarHBondContact O-N 3.44Å; V83-S87 PolarHBondContact O-OG 2.85Å |
| 84 | E | 93.4 | Very high | 89 | Confident | 62 Ų | 62 | 73.2 Ų | 73.2 | 29% | 0.29 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.1 | -36.6 | 174.1 | -68.5 | 171.9 | -170 | 0 | 0 | 112.3 | Q80 T81 K82 S87 T88 | Q80-E84 WeakPolarHBondContact CG-OE1 3.06Å; Q80-E84 PolarHBondContact NE2-OE1 2.81Å; Q80-E84 PolarHBondContact O-N 3.13Å; T81-E84 PolarHBondContact O-N 3.34Å; K82-E84 VanDerWaalsContact C-N 3.27Å; K82-E84 PolarHBondContact O-N 3.5Å; E84-S87 PolarHBondContact O-OG 3.08Å; E84-T88 WeakPolarHBondContact O-CB 3.41Å; E84-T88 PolarHBondContact O-N 2.91Å; E84-T88 VanDerWaalsContact O-N 3.14Å; E84-T88 PolarHBondContact O-OG1 2.88Å |
| 85 | C | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.1 | -47.3 | 172.6 | -167.2 | 0 | 0 | 0 | 0 | 111.3 | F66 T81 K82 S87 T88 C89 C106 | F66-C85 VanDerWaalsContact CA-SG 3.56Å; F66-C85 HydrophobicContact CD2-CB 4.21Å; F66-C85 PolarHBondContact N-SG 3Å; F66-C85 VanDerWaalsContact N-SG 3.42Å; T81-C85 WeakPolarHBondContact O-CB 3.32Å; T81-C85 PolarHBondContact O-N 3.42Å; K82-C85 WeakPolarHBondContact O-CB 3.42Å; K82-C85 PolarHBondContact O-N 2.05Å; K82-C85 VanDerWaalsContact O-N 3.15Å; C85-S87 VanDerWaalsContact C-N 3.33Å; C85-S87 PolarHBondContact O-N 3.43Å; C85-T88 PolarHBondContact O-N 3.45Å; C85-C89 PolarHBondContact O-N 3.3Å; C85-C89 PolarHBondContact O-SG 2.85Å; C85-C106 HydrophobicContact CB-CB 3.75Å; C85-C106 WeakPolarHBondContact CB-SG 3.49Å; C85-C106 WeakPolarHBondContact SG-CB 3.48Å; C85-C106 CovalentContact SG-SG 2.04Å; C85-C106 PolarHBondContact SG-SG 2.88Å |
| 86 | D | 94.8 | Very high | 91.3 | Very high | 42 Ų | 42 | 73.3 Ų | 73.3 | 23% | 0.225 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 179.8 | -72.7 | -16 | 0 | 0 | 0 | 111.5 | K82 V83 C89 H90 | K82-D86 PolarHBondContact O-N 2.93Å; V83-D86 PolarHBondContact O-N 2.99Å; D86-C89 PolarHBondContact O-N 3.25Å; D86-H90 PolarHBondContact O-N 2.89Å |
| 87 | S | 94.2 | Very high | 92.1 | Very high | 68 Ų | 68 | 70.3 Ų | 70.3 | 48% | 0.476 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 175.9 | 66.4 | 0 | 0 | 0 | 0 | 112 | V83 E84 C85 H90 E91 | V83-S87 WeakPolarHBondContact O-CB 3.37Å; V83-S87 PolarHBondContact O-N 3.44Å; V83-S87 PolarHBondContact O-OG 2.85Å; E84-S87 PolarHBondContact O-OG 3.08Å; C85-S87 VanDerWaalsContact C-N 3.33Å; C85-S87 PolarHBondContact O-N 3.43Å; S87-H90 WeakPolarHBondContact O-CB 3.48Å; S87-H90 PolarHBondContact O-N 3.45Å; S87-E91 PolarHBondContact O-N 2.84Å |
| 88 | T | 94.8 | Very high | 92.3 | Very high | 53 Ų | 53 | 66.6 Ų | 66.6 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.5 | -37.4 | 176.6 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | L65 E84 C85 H90 E91 A92 | L65-T88 HydrophobicContact CD1-CG2 3.96Å; L65-T88 HydrophobicContact CD2-CG2 3.86Å; L65-T88 HydrophobicContact CG-CG2 4.44Å; E84-T88 WeakPolarHBondContact O-CB 3.41Å; E84-T88 PolarHBondContact O-N 2.91Å; E84-T88 VanDerWaalsContact O-N 3.14Å; E84-T88 PolarHBondContact O-OG1 2.88Å; C85-T88 PolarHBondContact O-N 3.45Å; T88-H90 VanDerWaalsContact C-N 3.31Å; T88-H90 PolarHBondContact O-N 3.1Å; T88-E91 PolarHBondContact O-N 3.11Å; T88-A92 VanDerWaalsContact O-CB 3.3Å; T88-A92 WeakPolarHBondContact O-CB 3.23Å; T88-A92 PolarHBondContact O-N 3.36Å |
| 89 | C | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.7 | -39 | 170.6 | -75.2 | 0 | 0 | 0 | 0 | 111.8 | C85 D86 E91 A92 Y93 C102 N103 | C85-C89 PolarHBondContact O-N 3.3Å; C85-C89 PolarHBondContact O-SG 2.85Å; D86-C89 PolarHBondContact O-N 3.25Å; C89-E91 VanDerWaalsContact C-N 3.31Å; C89-E91 PolarHBondContact O-N 3.02Å; C89-A92 PolarHBondContact O-N 3.36Å; C89-Y93 PolarHBondContact O-N 3.42Å; C89-C102 HydrophobicContact CB-CB 3.67Å; C89-C102 WeakPolarHBondContact CB-SG 3.36Å; C89-C102 WeakPolarHBondContact SG-CB 3.36Å; C89-C102 CovalentContact SG-SG 2.04Å; C89-C102 PolarHBondContact SG-SG 3.4Å; C89-N103 WeakPolarHBondContact CB-OD1 3.35Å |
| 90 | H | 94.5 | Very high | 92.5 | Very high | 125 Ų | 125 | 69.7 Ų | 69.7 | 58% | 0.579 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.1 | -33.1 | 175.3 | -171.2 | -53.6 | 0 | 0 | 0 | 112.7 | D86 S87 T88 Q99 | D86-H90 PolarHBondContact O-N 2.89Å; S87-H90 WeakPolarHBondContact O-CB 3.48Å; S87-H90 PolarHBondContact O-N 3.45Å; T88-H90 VanDerWaalsContact C-N 3.31Å; T88-H90 PolarHBondContact O-N 3.1Å; H90-Q99 VanDerWaalsContact CA-NE2 3.33Å; H90-Q99 VanDerWaalsContact CB-NE2 3.3Å; H90-Q99 PolarHBondContact CD2-NE2 3.34Å |
| 91 | E | 93.8 | Very high | 92.6 | Very high | 172 Ų | 172 | 65.3 Ų | 65.3 | 80% | 0.804 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -78 | -37.4 | 176.5 | -171.5 | 177 | 172.3 | 0 | 0 | 112.2 | S87 T88 C89 | S87-E91 PolarHBondContact O-N 2.84Å; T88-E91 PolarHBondContact O-N 3.11Å; C89-E91 VanDerWaalsContact C-N 3.31Å; C89-E91 PolarHBondContact O-N 3.02Å |
| 92 | A | 92.8 | Very high | 92.8 | Very high | 69 Ų | 69 | 65.4 Ų | 65.4 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -75.5 | -31.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T88 C89 | T88-A92 VanDerWaalsContact O-CB 3.3Å; T88-A92 WeakPolarHBondContact O-CB 3.23Å; T88-A92 PolarHBondContact O-N 3.36Å; C89-A92 PolarHBondContact O-N 3.36Å |
| 93 | Y | 91.8 | Very high | 92.9 | Very high | 28 Ų | 28 | 65 Ų | 65 | 11% | 0.11 | 35% | 0.354 | C | S | . | . | trans | -118.4 | 124.3 | -174.8 | -64.1 | -79.1 | 0 | 0 | 0 | 111.5 | A58 R61 C89 E98 C102 | A58-Y93 HydrophobicContact CB-CE1 4.15Å; A58-Y93 HydrophobicContact CB-CE2 4.43Å; R61-Y93 VanDerWaalsContact CD-OH 3.24Å; R61-Y93 WeakPolarHBondContact CD-OH 3.49Å; C89-Y93 PolarHBondContact O-N 3.42Å; Y93-E98 HydrophobicContact CD1-CB 3.66Å; Y93-E98 HydrophobicContact CD1-CG 4.45Å; Y93-E98 WeakPolarHBondContact CD1-OE2 2.97Å; Y93-E98 HydrophobicContact CE1-CB 4.24Å; Y93-E98 HydrophobicContact CG-CB 4.04Å; Y93-C102 HydrophobicContact CD2-CB 3.98Å; Y93-C102 HydrophobicContact CE2-CB 3.84Å | ||
| 94 | S | 89.4 | Confident | 92.9 | Very high | 125 Ų | 125 | 61.6 Ų | 61.6 | 87% | 0.874 | 33% | 0.332 | S | S | * | . | trans | -84.7 | -19 | 174 | 60.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 95 | Q | 90.9 | Very high | 92.9 | Very high | 81 Ų | 81 | 58.7 Ų | 58.7 | 38% | 0.379 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -90 | 135.1 | 178.9 | -61.6 | -169.5 | 24.8 | 0 | 0 | 111 | E97 E98 Q99 | Q95-E97 VanDerWaalsContact C-N 3.34Å; Q95-E97 PolarHBondContact O-N 3.01Å; Q95-E98 HydrophobicContact CB-CB 4.42Å; Q95-E98 HydrophobicContact CB-CG 4.24Å; Q95-Q99 VanDerWaalsContact O-CB 3.23Å; Q95-Q99 WeakPolarHBondContact O-CB 3.45Å; Q95-Q99 PolarHBondContact O-N 3.02Å |
| 96 | S | 88.1 | Confident | 92.9 | Very high | 92 Ų | 92 | 58.7 Ų | 58.7 | 64% | 0.643 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.3 | -31.8 | -176.8 | 56 | 0 | 0 | 0 | 0 | 114 | Y100 | S96-Y100 WeakPolarHBondContact O-CB 3.44Å; S96-Y100 PolarHBondContact O-N 3.36Å |
| 97 | E | 88.7 | Confident | 92.8 | Very high | 91 Ų | 91 | 61.5 Ų | 61.5 | 43% | 0.425 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72 | -47.8 | -179.1 | -65.1 | -178.8 | 166.9 | 0 | 0 | 111.3 | R52 E55 Q95 Q99 Y100 A101 | R52-E97 IonicContact NH1-OE2 2.91Å; E55-E97 HydrophobicContact CG-CB 4.42Å; Q95-E97 VanDerWaalsContact C-N 3.34Å; Q95-E97 PolarHBondContact O-N 3.01Å; E97-Q99 PolarHBondContact O-N 3.27Å; E97-Y100 PolarHBondContact O-N 3.11Å; E97-A101 PolarHBondContact O-N 3.31Å |
| 98 | E | 90.2 | Very high | 92.8 | Very high | 31 Ų | 31 | 59.1 Ų | 59.1 | 15% | 0.145 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 175.2 | -60.9 | -179.7 | 145.5 | 0 | 0 | 112 | A58 Y93 Q95 A101 C102 | A58-E98 HydrophobicContact CB-CB 4.21Å; Y93-E98 HydrophobicContact CD1-CB 3.66Å; Y93-E98 HydrophobicContact CD1-CG 4.45Å; Y93-E98 WeakPolarHBondContact CD1-OE2 2.97Å; Y93-E98 HydrophobicContact CE1-CB 4.24Å; Y93-E98 HydrophobicContact CG-CB 4.04Å; Q95-E98 HydrophobicContact CB-CB 4.42Å; Q95-E98 HydrophobicContact CB-CG 4.24Å; E98-A101 PolarHBondContact O-N 3.25Å; E98-C102 WeakPolarHBondContact O-CB 3.47Å; E98-C102 PolarHBondContact O-N 2.99Å |
| 99 | Q | 93.3 | Very high | 92.6 | Very high | 38 Ų | 38 | 56.7 Ų | 56.7 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 176.7 | -174 | -174.7 | 5.5 | 0 | 0 | 111.2 | H90 Q95 E97 A101 C102 N103 | H90-Q99 VanDerWaalsContact CA-NE2 3.33Å; H90-Q99 VanDerWaalsContact CB-NE2 3.3Å; H90-Q99 PolarHBondContact CD2-NE2 3.34Å; Q95-Q99 VanDerWaalsContact O-CB 3.23Å; Q95-Q99 WeakPolarHBondContact O-CB 3.45Å; Q95-Q99 PolarHBondContact O-N 3.02Å; E97-Q99 PolarHBondContact O-N 3.27Å; Q99-A101 VanDerWaalsContact C-N 3.33Å; Q99-A101 PolarHBondContact O-N 3.46Å; Q99-C102 PolarHBondContact O-N 3.03Å; Q99-N103 VanDerWaalsContact O-CG 3.26Å; Q99-N103 PolarHBondContact O-N 2.71Å; Q99-N103 PolarHBondContact O-OD1 3.45Å |
| 100 | Y | 93 | Very high | 92.3 | Very high | 150 Ų | 150 | 57.7 Ų | 57.7 | 59% | 0.588 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.4 | -42.3 | 175.5 | -179.8 | -100.2 | 0 | 0 | 0 | 111.6 | S96 E97 C102 N103 L104 | S96-Y100 WeakPolarHBondContact O-CB 3.44Å; S96-Y100 PolarHBondContact O-N 3.36Å; E97-Y100 PolarHBondContact O-N 3.11Å; Y100-C102 VanDerWaalsContact C-N 3.34Å; Y100-C102 PolarHBondContact O-N 3.07Å; Y100-N103 PolarHBondContact O-N 3.11Å; Y100-L104 WeakPolarHBondContact O-CB 3.09Å; Y100-L104 PolarHBondContact O-N 3.41Å |
| 101 | A | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y45 E55 A58 C59 E97 E98 Q99 L104 G105 | Y45-A101 HydrophobicContact CE1-CB 4.34Å; Y45-A101 HydrophobicContact CE2-CB 3.73Å; Y45-A101 VanDerWaalsContact OH-CA 3.27Å; Y45-A101 WeakPolarHBondContact OH-CA 3.44Å; Y45-A101 WeakPolarHBondContact OH-CB 3.38Å; E55-A101 HydrophobicContact CB-CB 4.09Å; E55-A101 VanDerWaalsContact O-CB 3.28Å; E55-A101 WeakPolarHBondContact O-CB 3.12Å; A58-A101 HydrophobicContact CB-CB 4.14Å; C59-A101 VanDerWaalsContact CA-O 3.23Å; C59-A101 WeakPolarHBondContact CA-O 3.47Å; C59-A101 HydrophobicContact CB-CB 4.35Å; C59-A101 WeakPolarHBondContact CB-O 3.47Å; E97-A101 PolarHBondContact O-N 3.31Å; E98-A101 PolarHBondContact O-N 3.25Å; Q99-A101 VanDerWaalsContact C-N 3.33Å; Q99-A101 PolarHBondContact O-N 3.46Å; A101-L104 WeakPolarHBondContact O-CB 3.46Å; A101-L104 PolarHBondContact O-N 3.36Å; A101-G105 PolarHBondContact O-N 2.04Å |
| 102 | C | 95.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 174.8 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | C89 Y93 E98 Q99 Y100 L104 G105 C106 | C89-C102 HydrophobicContact CB-CB 3.67Å; C89-C102 WeakPolarHBondContact CB-SG 3.36Å; C89-C102 WeakPolarHBondContact SG-CB 3.36Å; C89-C102 CovalentContact SG-SG 2.04Å; C89-C102 PolarHBondContact SG-SG 3.4Å; Y93-C102 HydrophobicContact CD2-CB 3.98Å; Y93-C102 HydrophobicContact CE2-CB 3.84Å; E98-C102 WeakPolarHBondContact O-CB 3.47Å; E98-C102 PolarHBondContact O-N 2.99Å; Q99-C102 PolarHBondContact O-N 3.03Å; Y100-C102 VanDerWaalsContact C-N 3.34Å; Y100-C102 PolarHBondContact O-N 3.07Å; C102-L104 VanDerWaalsContact C-N 3.28Å; C102-L104 PolarHBondContact O-N 3.45Å; C102-G105 WeakPolarHBondContact O-CA 3.3Å; C102-G105 PolarHBondContact O-N 3.35Å; C102-C106 PolarHBondContact O-N 3.39Å |
| 103 | N | 95 | Very high | 91.4 | Very high | 40 Ų | 40 | 46.5 Ų | 46.5 | 21% | 0.214 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.4 | -37.1 | 177.4 | -66.7 | -9.9 | 0 | 0 | 0 | 111.8 | C89 Q99 Y100 G105 C106 Q107 | C89-N103 WeakPolarHBondContact CB-OD1 3.35Å; Q99-N103 VanDerWaalsContact O-CG 3.26Å; Q99-N103 PolarHBondContact O-N 2.71Å; Q99-N103 PolarHBondContact O-OD1 3.45Å; Y100-N103 PolarHBondContact O-N 3.11Å; N103-G105 VanDerWaalsContact C-N 3.29Å; N103-G105 PolarHBondContact O-N 2.97Å; N103-C106 WeakPolarHBondContact O-CB 3.22Å; N103-C106 PolarHBondContact O-N 2.84Å; N103-Q107 WeakPolarHBondContact O-CB 3.47Å; N103-Q107 PolarHBondContact O-N 2.87Å |
| 104 | L | 93.8 | Very high | 91.3 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 13% | 0.131 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 173.3 | -174 | 77.3 | 0 | 0 | 0 | 111.3 | T44 Y45 Y100 A101 C102 Q107 S108 | T44-L104 HydrophobicContact CG2-CD2 3.67Å; Y45-L104 HydrophobicContact CD2-CD2 4.48Å; Y45-L104 HydrophobicContact CE2-CD2 3.67Å; Y100-L104 WeakPolarHBondContact O-CB 3.09Å; Y100-L104 PolarHBondContact O-N 3.41Å; A101-L104 WeakPolarHBondContact O-CB 3.46Å; A101-L104 PolarHBondContact O-N 3.36Å; C102-L104 VanDerWaalsContact C-N 3.28Å; C102-L104 PolarHBondContact O-N 3.45Å; L104-Q107 PolarHBondContact O-N 2.89Å; L104-S108 VanDerWaalsContact O-CB 3.24Å; L104-S108 WeakPolarHBondContact O-CB 3.24Å; L104-S108 PolarHBondContact O-N 2.84Å; L104-S108 PolarHBondContact O-OG 3.43Å |
| 105 | G | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.2 | -48.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C37 A101 C102 N103 Q107 S108 Q109 | C37-G105 PolarHBondContact SG-O 3.49Å; C37-G105 VanDerWaalsContact SG-O 3.41Å; A101-G105 PolarHBondContact O-N 2.04Å; C102-G105 WeakPolarHBondContact O-CA 3.3Å; C102-G105 PolarHBondContact O-N 3.35Å; N103-G105 VanDerWaalsContact C-N 3.29Å; N103-G105 PolarHBondContact O-N 2.97Å; G105-Q107 PolarHBondContact O-N 3.21Å; G105-S108 PolarHBondContact O-N 3.43Å; G105-Q109 PolarHBondContact O-N 2.9Å; G105-Q109 VanDerWaalsContact O-N 3.11Å |
| 106 | C | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.5 | -47.7 | 174.9 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | F66 C85 C102 N103 S108 Q109 L110 | F66-C106 HydrophobicContact CD2-CB 4.45Å; C85-C106 HydrophobicContact CB-CB 3.75Å; C85-C106 WeakPolarHBondContact CB-SG 3.49Å; C85-C106 WeakPolarHBondContact SG-CB 3.48Å; C85-C106 CovalentContact SG-SG 2.04Å; C85-C106 PolarHBondContact SG-SG 2.88Å; C102-C106 PolarHBondContact O-N 3.39Å; N103-C106 WeakPolarHBondContact O-CB 3.22Å; N103-C106 PolarHBondContact O-N 2.84Å; C106-S108 PolarHBondContact O-N 3.28Å; C106-Q109 PolarHBondContact O-N 3Å; C106-L110 PolarHBondContact O-N 2.96Å |
| 107 | Q | 93.8 | Very high | 90.5 | Very high | 102 Ų | 102 | 45.2 Ų | 45.2 | 48% | 0.477 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.8 | -37.7 | 179.7 | -175.4 | 174.2 | 30.9 | 0 | 0 | 112.8 | N103 L104 G105 Q109 L110 P111 | N103-Q107 WeakPolarHBondContact O-CB 3.47Å; N103-Q107 PolarHBondContact O-N 2.87Å; L104-Q107 PolarHBondContact O-N 2.89Å; G105-Q107 PolarHBondContact O-N 3.21Å; Q107-Q109 VanDerWaalsContact C-N 3.3Å; Q107-Q109 PolarHBondContact O-N 3.28Å; Q107-L110 WeakPolarHBondContact O-CB 3.43Å; Q107-L110 PolarHBondContact O-N 3.49Å; Q107-P111 WeakPolarHBondContact O-CD 3.1Å |
| 108 | S | 92.4 | Very high | 90.3 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.1 | -27.1 | -179 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | L104 G105 C106 F112 | L104-S108 VanDerWaalsContact O-CB 3.24Å; L104-S108 WeakPolarHBondContact O-CB 3.24Å; L104-S108 PolarHBondContact O-N 2.84Å; L104-S108 PolarHBondContact O-OG 3.43Å; G105-S108 PolarHBondContact O-N 3.43Å; C106-S108 PolarHBondContact O-N 3.28Å; S108-F112 WeakPolarHBondContact O-CD2 3.45Å; S108-F112 WeakPolarHBondContact O-CE2 3.45Å |
| 109 | Q | 90.4 | Very high | 90 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -78.4 | -26.9 | 178.5 | -170.3 | 61.6 | 45.6 | 0 | 0 | 112.8 | F66 G105 C106 Q107 F112 A113 | F66-Q109 HydrophobicContact CB-CB 4Å; F66-Q109 HydrophobicContact CB-CG 4Å; F66-Q109 HydrophobicContact CD1-CB 3.88Å; F66-Q109 HydrophobicContact CD1-CG 3.43Å; F66-Q109 VanDerWaalsContact CD1-CG 3.43Å; F66-Q109 HydrophobicContact CE1-CG 4.23Å; F66-Q109 HydrophobicContact CG-CB 3.93Å; F66-Q109 HydrophobicContact CG-CG 3.92Å; G105-Q109 PolarHBondContact O-N 2.9Å; G105-Q109 VanDerWaalsContact O-N 3.11Å; C106-Q109 PolarHBondContact O-N 3Å; Q107-Q109 VanDerWaalsContact C-N 3.3Å; Q107-Q109 PolarHBondContact O-N 3.28Å; Q109-F112 PolarHBondContact O-N 3.4Å; Q109-A113 PolarHBondContact O-N 3.23Å |
| 110 | L | 90.3 | Very high | 89.4 | Confident | 22 Ų | 22 | 54.8 Ų | 54.8 | 12% | 0.115 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -50.2 | -56.1 | -178.5 | -173.5 | 74.7 | 0 | 0 | 0 | 114.6 | F66 L78 K82 C106 Q107 F112 A113 E114 | F66-L110 HydrophobicContact CE2-CD1 4Å; F66-L110 HydrophobicContact CZ-CB 4.49Å; F66-L110 HydrophobicContact CZ-CD1 3.77Å; L78-L110 HydrophobicContact CB-CD1 3.67Å; L78-L110 WeakPolarHBondContact O-CD1 3.07Å; K82-L110 HydrophobicContact CB-CD1 4.45Å; K82-L110 HydrophobicContact CD-CD2 4.44Å; C106-L110 PolarHBondContact O-N 2.96Å; Q107-L110 WeakPolarHBondContact O-CB 3.43Å; Q107-L110 PolarHBondContact O-N 3.49Å; L110-F112 PolarHBondContact O-N 3.17Å; L110-A113 WeakPolarHBondContact O-CB 3.5Å; L110-A113 PolarHBondContact O-N 3.03Å; L110-E114 PolarHBondContact O-N 2.87Å |
| 111 | P | 89.3 | Confident | 88.8 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 42% | 0.422 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.6 | -27.8 | -177.8 | 26 | -36.4 | 0 | 0 | 0 | 113.1 | Q107 Q115 | Q107-P111 WeakPolarHBondContact O-CD 3.1Å; P111-Q115 PolarHBondContact O-N 2.86Å; P111-Q115 VanDerWaalsContact O-N 3.14Å |
| 112 | F | 86.8 | Confident | 88.1 | Confident | 65 Ų | 65 | 56.2 Ų | 56.2 | 29% | 0.285 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -74.8 | -31.4 | 175.2 | -59.9 | -65.9 | 0 | 0 | 0 | 112 | S108 Q109 L110 R116 | S108-F112 WeakPolarHBondContact O-CD2 3.45Å; S108-F112 WeakPolarHBondContact O-CE2 3.45Å; Q109-F112 PolarHBondContact O-N 3.4Å; L110-F112 PolarHBondContact O-N 3.17Å; F112-R116 WeakPolarHBondContact O-CB 3.42Å; F112-R116 PolarHBondContact O-N 2.91Å; F112-R116 VanDerWaalsContact O-N 3.16Å |
| 113 | A | 86.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.6 | -42.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F66 L78 Q109 L110 R116 Q117 | F66-A113 HydrophobicContact CE1-CB 3.62Å; F66-A113 HydrophobicContact CZ-CB 4.28Å; L78-A113 HydrophobicContact CD1-CB 4.25Å; L78-A113 HydrophobicContact CD2-CB 4.1Å; Q109-A113 PolarHBondContact O-N 3.23Å; L110-A113 WeakPolarHBondContact O-CB 3.5Å; L110-A113 PolarHBondContact O-N 3.03Å; A113-R116 PolarHBondContact O-N 3.19Å; A113-Q117 WeakPolarHBondContact O-CB 3.44Å; A113-Q117 PolarHBondContact O-N 3.3Å |
| 114 | E | 88.3 | Confident | 85.7 | Confident | 85 Ų | 85 | 66.5 Ų | 66.5 | 40% | 0.397 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.2 | -53.1 | 173.1 | -76.1 | 176.9 | 165.9 | 0 | 0 | 111.1 | L78 L110 R116 Q117 E118 | L78-E114 HydrophobicContact CD1-CB 4.05Å; L78-E114 HydrophobicContact CD1-CG 3.32Å; L110-E114 PolarHBondContact O-N 2.87Å; E114-R116 VanDerWaalsContact C-N 3.27Å; E114-R116 PolarHBondContact O-N 3.06Å; E114-Q117 WeakPolarHBondContact O-CB 3.49Å; E114-Q117 PolarHBondContact O-N 3.34Å; E114-Q117 VanDerWaalsContact O-N 3.08Å; E114-E118 WeakPolarHBondContact O-CG 3.26Å; E114-E118 PolarHBondContact O-N 3.19Å |
| 115 | Q | 86.9 | Confident | 84 | Confident | 103 Ų | 103 | 70.2 Ų | 70.2 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.6 | -37.7 | 179.8 | -173.2 | 178.6 | 7 | 0 | 0 | 112.4 | P111 Q119 | P111-Q115 PolarHBondContact O-N 2.86Å; P111-Q115 VanDerWaalsContact O-N 3.14Å; Q115-Q119 WeakPolarHBondContact O-CB 3.4Å; Q115-Q119 VanDerWaalsContact O-CG 3.26Å; Q115-Q119 WeakPolarHBondContact O-CG 3.5Å; Q115-Q119 PolarHBondContact O-N 3.07Å |
| 116 | R | 81.9 | Confident | 82.2 | Confident | 63 Ų | 63 | 79.8 Ų | 79.8 | 24% | 0.238 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 176.5 | -175.2 | -172.8 | -66.8 | 150.7 | -0.2 | 111.3 | N33 F112 A113 E114 Q119 L120 | N33-R116 PolarHBondContact O-NH2 3.22Å; F112-R116 WeakPolarHBondContact O-CB 3.42Å; F112-R116 PolarHBondContact O-N 2.91Å; F112-R116 VanDerWaalsContact O-N 3.16Å; A113-R116 PolarHBondContact O-N 3.19Å; E114-R116 VanDerWaalsContact C-N 3.27Å; E114-R116 PolarHBondContact O-N 3.06Å; R116-Q119 PolarHBondContact O-N 3.4Å; R116-L120 HydrophobicContact CG-CD1 4.15Å; R116-L120 WeakPolarHBondContact O-CB 3.47Å; R116-L120 WeakPolarHBondContact O-CG 3.26Å; R116-L120 PolarHBondContact O-N 3.35Å |
| 117 | Q | 82.4 | Confident | 80.5 | Confident | 49 Ų | 49 | 86 Ų | 86 | 23% | 0.229 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 177.5 | -171.2 | 169.5 | -4.8 | 0 | 0 | 110.7 | E76 A113 E114 Q119 L120 L121 | E76-Q117 PolarHBondContact O-NE2 2.93Å; A113-Q117 WeakPolarHBondContact O-CB 3.44Å; A113-Q117 PolarHBondContact O-N 3.3Å; E114-Q117 WeakPolarHBondContact O-CB 3.49Å; E114-Q117 PolarHBondContact O-N 3.34Å; E114-Q117 VanDerWaalsContact O-N 3.08Å; Q117-Q119 VanDerWaalsContact C-N 3.35Å; Q117-Q119 PolarHBondContact O-N 3.45Å; Q117-L120 PolarHBondContact O-N 3Å; Q117-L121 HydrophobicContact CG-CD1 4.29Å; Q117-L121 WeakPolarHBondContact O-CB 3.45Å; Q117-L121 VanDerWaalsContact O-CG 3.26Å; Q117-L121 WeakPolarHBondContact O-CG 3.48Å; Q117-L121 PolarHBondContact O-N 3.18Å |
| 118 | E | 85.5 | Confident | 78.6 | Confident | 136 Ų | 136 | 87.9 Ų | 87.9 | 64% | 0.636 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60.4 | -42.2 | 172.8 | -69.8 | -176.1 | 152 | 0 | 0 | 112.4 | E114 L121 A122 | E114-E118 WeakPolarHBondContact O-CG 3.26Å; E114-E118 PolarHBondContact O-N 3.19Å; E118-L121 CarbonylContact O-C 3.58Å; E118-L121 PolarHBondContact O-N 3.48Å; E118-A122 WeakPolarHBondContact O-CB 3.48Å; E118-A122 PolarHBondContact O-N 3.38Å |
| 119 | Q | 84.6 | Confident | 77 | Confident | 115 Ų | 115 | 94 Ų | 94 | 54% | 0.537 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 175.8 | -76.2 | 174.5 | -4.3 | 0 | 0 | 112.3 | Q115 R116 Q117 A122 M123 | Q115-Q119 WeakPolarHBondContact O-CB 3.4Å; Q115-Q119 VanDerWaalsContact O-CG 3.26Å; Q115-Q119 WeakPolarHBondContact O-CG 3.5Å; Q115-Q119 PolarHBondContact O-N 3.07Å; R116-Q119 PolarHBondContact O-N 3.4Å; Q117-Q119 VanDerWaalsContact C-N 3.35Å; Q117-Q119 PolarHBondContact O-N 3.45Å; Q119-A122 PolarHBondContact O-N 2.73Å; Q119-M123 WeakPolarHBondContact O-CB 3.12Å; Q119-M123 PolarHBondContact O-N 3.13Å |
| 120 | L | 80.3 | Confident | 75.5 | Confident | 109 Ų | 109 | 99.4 Ų | 99.4 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.1 | -43 | 174.2 | -79.6 | 162.4 | 0 | 0 | 0 | 111.3 | R116 Q117 A122 M123 M124 | R116-L120 HydrophobicContact CG-CD1 4.15Å; R116-L120 WeakPolarHBondContact O-CB 3.47Å; R116-L120 WeakPolarHBondContact O-CG 3.26Å; R116-L120 PolarHBondContact O-N 3.35Å; Q117-L120 PolarHBondContact O-N 3Å; L120-A122 VanDerWaalsContact C-N 3.26Å; L120-A122 PolarHBondContact O-N 2.97Å; L120-M123 CarbonylContact O-C 3.6Å; L120-M123 PolarHBondContact O-N 3.18Å; L120-M124 PolarHBondContact O-N 3.05Å |
| 121 | L | 79.1 | Confident | 74.2 | Confident | 94 Ų | 94 | 104.8 Ų | 104.8 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.2 | -24.6 | 174.6 | -70.2 | 174 | 0 | 0 | 0 | 113 | Q117 E118 M124 | Q117-L121 HydrophobicContact CG-CD1 4.29Å; Q117-L121 WeakPolarHBondContact O-CB 3.45Å; Q117-L121 VanDerWaalsContact O-CG 3.26Å; Q117-L121 WeakPolarHBondContact O-CG 3.48Å; Q117-L121 PolarHBondContact O-N 3.18Å; E118-L121 CarbonylContact O-C 3.58Å; E118-L121 PolarHBondContact O-N 3.48Å; L121-M124 HydrophobicContact CD2-SD 3.69Å; L121-M124 WeakPolarHBondContact O-CG 3.45Å |
| 122 | A | 80.8 | Confident | 73.1 | Confident | 86 Ų | 86 | 105.2 Ų | 105.2 | 71% | 0.711 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -82 | -31.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E118 Q119 L120 | E118-A122 WeakPolarHBondContact O-CB 3.48Å; E118-A122 PolarHBondContact O-N 3.38Å; Q119-A122 PolarHBondContact O-N 2.73Å; L120-A122 VanDerWaalsContact C-N 3.26Å; L120-A122 PolarHBondContact O-N 2.97Å |
| 123 | M | 72.3 | Confident | 72.1 | Confident | 162 Ų | 162 | 107.1 Ų | 107.1 | 80% | 0.798 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -86 | -21 | 179.2 | -171.4 | 171.4 | -177.4 | 0 | 0 | 112.9 | Q119 L120 P125 | Q119-M123 WeakPolarHBondContact O-CB 3.12Å; Q119-M123 PolarHBondContact O-N 3.13Å; L120-M123 CarbonylContact O-C 3.6Å; L120-M123 PolarHBondContact O-N 3.18Å; M123-P125 WeakPolarHBondContact O-CD 3.34Å; M123-P125 VanDerWaalsContact O-N 3.13Å |
| 124 | M | 66.4 | Low | 71.2 | Confident | 96 Ų | 96 | 111.2 Ų | 111.2 | 47% | 0.473 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -58.1 | 121.7 | 174 | 57.7 | 174.8 | -89.2 | 0 | 0 | 108.6 | L120 L121 R126 | L120-M124 PolarHBondContact O-N 3.05Å; L121-M124 HydrophobicContact CD2-SD 3.69Å; L121-M124 WeakPolarHBondContact O-CG 3.45Å; M124-R126 PolarHBondContact O-N 2.81Å |
| 125 | P | 59 | Low | 70.3 | Confident | 104 Ų | 104 | 111.5 Ų | 111.5 | 68% | 0.675 | 57% | 0.565 | S | S | * | * | trans | -62.6 | 111.3 | 172 | 25.9 | -30.9 | 0 | 0 | 0 | 105.9 | M123 I127 | M123-P125 WeakPolarHBondContact O-CD 3.34Å; M123-P125 VanDerWaalsContact O-N 3.13Å; P125-I127 PolarHBondContact O-N 3.39Å | ||
| 126 | R | 56.1 | Low | 69.7 | Low | 200 Ų | 200 | 110.5 Ų | 110.5 | 76% | 0.755 | 57% | 0.565 | S | S | * | * | trans | -58.4 | 98.4 | 161.2 | -71.7 | -175.6 | 178.7 | 155.7 | 1.1 | 105.1 | M124 H128 | M124-R126 PolarHBondContact O-N 2.81Å; R126-H128 PolarHBondContact O-N 3.4Å | ||
| 127 | I | 58 | Low | 69.3 | Low | 130 Ų | 130 | 115.5 Ų | 115.5 | 67% | 0.667 | 58% | 0.584 | S | S | * | * | trans | -64 | 76.6 | 172.3 | 34.6 | 163.1 | 0 | 0 | 0 | 107.8 | P125 L129 Y131 | P125-I127 PolarHBondContact O-N 3.39Å; I127-L129 PolarHBondContact O-N 3.47Å; I127-Y131 HydrophobicContact CG2-CD2 4.37Å | ||
| 128 | H | 54.3 | Low | 68.9 | Low | 142 Ų | 142 | 114.9 Ų | 114.9 | 66% | 0.657 | 59% | 0.591 | S | S | * | * | trans | -85.8 | 109.4 | -179.4 | -132.8 | -70.5 | 0 | 0 | 0 | 106.9 | R126 L130 | R126-H128 PolarHBondContact O-N 3.4Å; H128-L130 WeakPolarHBondContact O-CG 3.34Å; H128-L130 PolarHBondContact O-N 3.44Å | ||
| 129 | L | 58.1 | Low | 68.5 | Low | 148 Ų | 148 | 115.6 Ų | 115.6 | 78% | 0.775 | 59% | 0.592 | S | S | * | * | S | Bend | trans | 55.1 | -13.4 | 161.7 | -127.3 | 81.9 | 0 | 0 | 0 | 119.4 | I127 P132 | I127-L129 PolarHBondContact O-N 3.47Å; L129-P132 WeakPolarHBondContact O-CG 3.41Å |
| 130 | L | 58.2 | Low | 68 | Low | 113 Ų | 113 | 118.1 Ų | 118.1 | 59% | 0.592 | 60% | 0.597 | S | S | * | * | trans | -103.4 | -10.9 | -170.4 | -60.9 | 173.1 | 0 | 0 | 0 | 112.5 | H128 L133 T134 | H128-L130 WeakPolarHBondContact O-CG 3.34Å; H128-L130 PolarHBondContact O-N 3.44Å; L130-L133 HydrophobicContact CD2-CD1 3.54Å; L130-L133 CarbonylContact O-C 3.55Å; L130-L133 WeakPolarHBondContact O-CA 3.37Å; L130-L133 WeakPolarHBondContact O-CB 3.31Å; L130-L133 PolarHBondContact O-N 2.86Å; L130-T134 PolarHBondContact O-N 2.94Å | ||
| 131 | Y | 63.1 | Low | 67.7 | Low | 135 Ų | 135 | 116.8 Ų | 116.8 | 53% | 0.529 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -54.3 | -43.3 | 171.1 | -171.1 | -102.9 | 0 | 0 | 0 | 113.3 | I127 L133 T134 L135 | I127-Y131 HydrophobicContact CG2-CD2 4.37Å; Y131-L133 VanDerWaalsContact C-N 3.27Å; Y131-L133 PolarHBondContact O-N 3.47Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.33Å; Y131-T134 PolarHBondContact O-N 3.13Å; Y131-T134 PolarHBondContact O-OG1 3.46Å; Y131-L135 HydrophobicContact CD1-CD1 4.23Å; Y131-L135 HydrophobicContact CE1-CD1 3.88Å; Y131-L135 PolarHBondContact O-N 3.48Å |
| 132 | P | 66.2 | Low | 67.4 | Low | 74 Ų | 74 | 117.4 Ų | 117.4 | 48% | 0.481 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.6 | -32.2 | 171.2 | 22 | -32.3 | 0 | 0 | 0 | 112.7 | L129 L135 V136 | L129-P132 WeakPolarHBondContact O-CG 3.41Å; P132-L135 PolarHBondContact O-N 3Å; P132-V136 VanDerWaalsContact O-CG2 3.29Å; P132-V136 WeakPolarHBondContact O-CG2 3.08Å; P132-V136 PolarHBondContact O-N 3.29Å |
| 133 | L | 65.4 | Low | 67.2 | Low | 105 Ų | 105 | 117.8 Ų | 117.8 | 55% | 0.55 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72.6 | -30.2 | 177.4 | -65.8 | 173.4 | 0 | 0 | 0 | 112.6 | L130 Y131 R137 | L130-L133 HydrophobicContact CD2-CD1 3.54Å; L130-L133 CarbonylContact O-C 3.55Å; L130-L133 WeakPolarHBondContact O-CA 3.37Å; L130-L133 WeakPolarHBondContact O-CB 3.31Å; L130-L133 PolarHBondContact O-N 2.86Å; Y131-L133 VanDerWaalsContact C-N 3.27Å; Y131-L133 PolarHBondContact O-N 3.47Å; L133-R137 VanDerWaalsContact O-CB 3.32Å; L133-R137 WeakPolarHBondContact O-CB 3.33Å; L133-R137 PolarHBondContact O-N 3.2Å |
| 134 | T | 67.9 | Low | 67.4 | Low | 87 Ų | 87 | 114.2 Ų | 114.2 | 53% | 0.534 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.1 | -34.2 | 172.7 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | L130 Y131 G138 | L130-T134 PolarHBondContact O-N 2.94Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.33Å; Y131-T134 PolarHBondContact O-N 3.13Å; Y131-T134 PolarHBondContact O-OG1 3.46Å; T134-G138 PolarHBondContact O-N 3.26Å |
| 135 | L | 68.9 | Low | 67.5 | Low | 91 Ų | 91 | 112.9 Ų | 112.9 | 48% | 0.476 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.6 | -45.7 | 172.8 | -68.9 | 172 | 0 | 0 | 0 | 111.3 | Y131 P132 R137 G138 F139 | Y131-L135 HydrophobicContact CD1-CD1 4.23Å; Y131-L135 HydrophobicContact CE1-CD1 3.88Å; Y131-L135 PolarHBondContact O-N 3.48Å; P132-L135 PolarHBondContact O-N 3Å; L135-R137 VanDerWaalsContact C-N 3.27Å; L135-R137 PolarHBondContact O-N 2.93Å; L135-G138 PolarHBondContact O-N 3.04Å; L135-F139 WeakPolarHBondContact O-CD2 3.42Å; L135-F139 PolarHBondContact O-N 3.16Å; L135-F139 VanDerWaalsContact O-N 3.08Å |
| 136 | V | 74.3 | Confident | 67.7 | Low | 82 Ų | 82 | 114.3 Ų | 114.3 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.2 | -36.2 | 176.6 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | P132 F139 W140 | P132-V136 VanDerWaalsContact O-CG2 3.29Å; P132-V136 WeakPolarHBondContact O-CG2 3.08Å; P132-V136 PolarHBondContact O-N 3.29Å; V136-F139 PolarHBondContact O-N 3.23Å; V136-W140 WeakPolarHBondContact O-CB 3.3Å; V136-W140 PolarHBondContact O-N 3.46Å |
| 137 | R | 73.8 | Confident | 67.9 | Low | 168 Ų | 168 | 106.3 Ų | 106.3 | 63% | 0.634 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.2 | -44.5 | 175 | -172.9 | 179.3 | 177.3 | 98.3 | 5.3 | 112 | L133 L135 F139 W140 D141 | L133-R137 VanDerWaalsContact O-CB 3.32Å; L133-R137 WeakPolarHBondContact O-CB 3.33Å; L133-R137 PolarHBondContact O-N 3.2Å; L135-R137 VanDerWaalsContact C-N 3.27Å; L135-R137 PolarHBondContact O-N 2.93Å; R137-F139 PolarHBondContact O-N 3.14Å; R137-W140 PolarHBondContact O-N 2.99Å; R137-D141 IonicContact NE-OD2 2.79Å; R137-D141 WeakPolarHBondContact O-CB 3.49Å; R137-D141 VanDerWaalsContact O-CG 3.31Å; R137-D141 PolarHBondContact O-N 3.09Å |
| 138 | G | 74.7 | Confident | 68 | Low | 36 Ų | 36 | 106 Ų | 106 | 37% | 0.371 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T134 L135 W140 D141 D142 | T134-G138 PolarHBondContact O-N 3.26Å; L135-G138 PolarHBondContact O-N 3.04Å; G138-W140 VanDerWaalsContact C-N 3.34Å; G138-W140 PolarHBondContact O-N 2.97Å; G138-D141 PolarHBondContact O-N 2.66Å; G138-D142 PolarHBondContact O-N 2.84Å |
| 139 | F | 76.2 | Confident | 68.2 | Low | 151 Ų | 151 | 102.8 Ų | 102.8 | 66% | 0.662 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.1 | -38.4 | 174.5 | -88.5 | -80 | 0 | 0 | 0 | 112.9 | L135 V136 R137 V143 | L135-F139 WeakPolarHBondContact O-CD2 3.42Å; L135-F139 PolarHBondContact O-N 3.16Å; L135-F139 VanDerWaalsContact O-N 3.08Å; V136-F139 PolarHBondContact O-N 3.23Å; R137-F139 PolarHBondContact O-N 3.14Å; F139-V143 WeakPolarHBondContact O-CB 3.21Å; F139-V143 VanDerWaalsContact O-CG2 3.28Å; F139-V143 WeakPolarHBondContact O-CG2 3.26Å; F139-V143 PolarHBondContact O-N 3.33Å |
| 140 | W | 75.1 | Confident | 68 | Low | 167 Ų | 167 | 101.6 Ų | 101.6 | 63% | 0.633 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.7 | -38.6 | -179.8 | -156.6 | -77.7 | 0 | 0 | 0 | 112.3 | V136 R137 G138 D142 V143 M144 | V136-W140 WeakPolarHBondContact O-CB 3.3Å; V136-W140 PolarHBondContact O-N 3.46Å; R137-W140 PolarHBondContact O-N 2.99Å; G138-W140 VanDerWaalsContact C-N 3.34Å; G138-W140 PolarHBondContact O-N 2.97Å; W140-D142 VanDerWaalsContact C-N 3.35Å; W140-V143 PolarHBondContact O-N 3.21Å; W140-M144 WeakPolarHBondContact O-CB 3.45Å; W140-M144 PolarHBondContact O-N 3.39Å |
| 141 | D | 72.9 | Confident | 67.8 | Low | 82 Ų | 82 | 102 Ų | 102 | 44% | 0.439 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 177.4 | -71.4 | -22.1 | 0 | 0 | 0 | 110.5 | R137 G138 M144 S145 | R137-D141 IonicContact NE-OD2 2.79Å; R137-D141 WeakPolarHBondContact O-CB 3.49Å; R137-D141 VanDerWaalsContact O-CG 3.31Å; R137-D141 PolarHBondContact O-N 3.09Å; G138-D141 PolarHBondContact O-N 2.66Å; D141-M144 PolarHBondContact O-N 2.81Å; D141-S145 WeakPolarHBondContact O-CB 3.36Å; D141-S145 PolarHBondContact O-N 3.26Å |
| 142 | D | 74.5 | Confident | 67.3 | Low | 106 Ų | 106 | 99.1 Ų | 99.1 | 57% | 0.567 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.9 | -44.6 | 175.5 | -84 | -8.9 | 0 | 0 | 0 | 112.7 | G138 W140 S145 Q146 | G138-D142 PolarHBondContact O-N 2.84Å; W140-D142 VanDerWaalsContact C-N 3.35Å; D142-S145 PolarHBondContact O-N 2.89Å; D142-S145 PolarHBondContact O-OG 3.44Å; D142-Q146 PolarHBondContact O-N 3.3Å; D142-Q146 VanDerWaalsContact O-N 3.08Å |
| 143 | V | 76.3 | Confident | 66.9 | Low | 94 Ų | 94 | 99.4 Ų | 99.4 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.9 | -40.9 | 176.5 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | F139 W140 S145 Q146 A147 | F139-V143 WeakPolarHBondContact O-CB 3.21Å; F139-V143 VanDerWaalsContact O-CG2 3.28Å; F139-V143 WeakPolarHBondContact O-CG2 3.26Å; F139-V143 PolarHBondContact O-N 3.33Å; W140-V143 PolarHBondContact O-N 3.21Å; V143-S145 VanDerWaalsContact C-N 3.35Å; V143-Q146 PolarHBondContact O-N 2.99Å; V143-A147 WeakPolarHBondContact O-CB 3.47Å; V143-A147 PolarHBondContact O-N 3.26Å |
| 144 | M | 76.3 | Confident | 66.8 | Low | 87 Ų | 87 | 97.7 Ų | 97.7 | 43% | 0.429 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 176.7 | -171.7 | 66.6 | 74.7 | 0 | 0 | 110.9 | W140 D141 Q146 A147 H148 | W140-M144 WeakPolarHBondContact O-CB 3.45Å; W140-M144 PolarHBondContact O-N 3.39Å; D141-M144 PolarHBondContact O-N 2.81Å; M144-Q146 VanDerWaalsContact C-N 3.32Å; M144-Q146 PolarHBondContact O-N 2.9Å; M144-A147 PolarHBondContact O-N 2.64Å; M144-H148 PolarHBondContact O-CD2 3.5Å; M144-H148 PolarHBondContact O-N 2.77Å |
| 145 | S | 68.6 | Low | 66.7 | Low | 68 Ų | 68 | 101.5 Ų | 101.5 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 177 | 79.8 | 0 | 0 | 0 | 0 | 112.4 | D141 D142 V143 | D141-S145 WeakPolarHBondContact O-CB 3.36Å; D141-S145 PolarHBondContact O-N 3.26Å; D142-S145 PolarHBondContact O-N 2.89Å; D142-S145 PolarHBondContact O-OG 3.44Å; V143-S145 VanDerWaalsContact C-N 3.35Å |
| 146 | Q | 63 | Low | 67 | Low | 134 Ų | 134 | 100.2 Ų | 100.2 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -72.8 | -36.1 | 174.9 | -71.9 | -178.9 | 16.5 | 0 | 0 | 112.3 | D142 V143 M144 H148 S149 L150 | D142-Q146 PolarHBondContact O-N 3.3Å; D142-Q146 VanDerWaalsContact O-N 3.08Å; V143-Q146 PolarHBondContact O-N 2.99Å; M144-Q146 VanDerWaalsContact C-N 3.32Å; M144-Q146 PolarHBondContact O-N 2.9Å; Q146-H148 VanDerWaalsContact C-N 3.32Å; Q146-H148 PolarHBondContact O-N 3.08Å; Q146-S149 WeakPolarHBondContact O-CB 3.49Å; Q146-S149 PolarHBondContact O-N 2.96Å; Q146-S149 VanDerWaalsContact O-N 3.09Å; Q146-S149 PolarHBondContact O-OG 2.96Å; Q146-L150 PolarHBondContact O-N 3.37Å |
| 147 | A | 61 | Low | 67.1 | Low | 32 Ų | 32 | 100 Ų | 100 | 26% | 0.264 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -36.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V143 M144 S149 L150 I151 | V143-A147 WeakPolarHBondContact O-CB 3.47Å; V143-A147 PolarHBondContact O-N 3.26Å; M144-A147 PolarHBondContact O-N 2.64Å; A147-S149 PolarHBondContact O-N 3.39Å; A147-L150 PolarHBondContact O-N 2.78Å; A147-I151 HydrophobicContact CB-CD1 4.48Å; A147-I151 WeakPolarHBondContact O-CD1 3.4Å; A147-I151 VanDerWaalsContact O-CG1 3.22Å; A147-I151 WeakPolarHBondContact O-CG1 3.28Å; A147-I151 PolarHBondContact O-N 2.9Å |
| 148 | H | 59.4 | Low | 67.2 | Low | 123 Ų | 123 | 99.1 Ų | 99.1 | 57% | 0.569 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.1 | -31.6 | 173 | -80.2 | -67.4 | 0 | 0 | 0 | 113.1 | M144 Q146 | M144-H148 PolarHBondContact O-CD2 3.5Å; M144-H148 PolarHBondContact O-N 2.77Å; Q146-H148 VanDerWaalsContact C-N 3.32Å; Q146-H148 PolarHBondContact O-N 3.08Å |
| 149 | S | 59.3 | Low | 67.3 | Low | 75 Ų | 75 | 102 Ų | 102 | 52% | 0.524 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -74.8 | -26.2 | 175.8 | 78.9 | 0 | 0 | 0 | 0 | 113.6 | Q146 A147 S152 | Q146-S149 WeakPolarHBondContact O-CB 3.49Å; Q146-S149 PolarHBondContact O-N 2.96Å; Q146-S149 VanDerWaalsContact O-N 3.09Å; Q146-S149 PolarHBondContact O-OG 2.96Å; A147-S149 PolarHBondContact O-N 3.39Å; S149-S152 PolarHBondContact O-OG 3.27Å |
| 150 | L | 53.9 | Low | 67 | Low | 124 Ų | 124 | 102 Ų | 102 | 65% | 0.649 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -84.5 | -32.3 | 176.9 | -64.8 | 173.6 | 0 | 0 | 0 | 111.8 | Q146 A147 S152 S153 | Q146-L150 PolarHBondContact O-N 3.37Å; A147-L150 PolarHBondContact O-N 2.78Å; L150-S152 PolarHBondContact O-N 2.87Å; L150-S153 WeakPolarHBondContact O-CB 3.5Å; L150-S153 PolarHBondContact O-N 2.83Å; L150-S153 PolarHBondContact O-OG 3.04Å |
| 151 | I | 53.9 | Low | 66.8 | Low | 121 Ų | 121 | 96.2 Ų | 96.2 | 62% | 0.621 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.8 | -21.4 | 178.5 | -66.3 | 161.9 | 0 | 0 | 0 | 111.8 | A147 | A147-I151 HydrophobicContact CB-CD1 4.48Å; A147-I151 WeakPolarHBondContact O-CD1 3.4Å; A147-I151 VanDerWaalsContact O-CG1 3.22Å; A147-I151 WeakPolarHBondContact O-CG1 3.28Å; A147-I151 PolarHBondContact O-N 2.9Å |
| 152 | S | 52.8 | Low | 66.7 | Low | 74 Ų | 74 | 101 Ų | 101 | 52% | 0.517 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 3.8 | 175.1 | 67.9 | 0 | 0 | 0 | 0 | 114.4 | S149 L150 S154 | S149-S152 PolarHBondContact O-OG 3.27Å; L150-S152 PolarHBondContact O-N 2.87Å; S152-S154 PolarHBondContact O-N 3.5Å |
| 153 | S | 57.6 | Low | 66.6 | Low | 80 Ų | 80 | 100.5 Ų | 100.5 | 56% | 0.559 | 54% | 0.539 | S | S | * | . | trans | -67 | 103 | -179.1 | 60.8 | 0 | 0 | 0 | 0 | 110.8 | L150 W155 | L150-S153 WeakPolarHBondContact O-CB 3.5Å; L150-S153 PolarHBondContact O-N 2.83Å; L150-S153 PolarHBondContact O-OG 3.04Å; S153-W155 PolarHBondContact O-N 2.98Å | ||
| 154 | S | 62.6 | Low | 66.6 | Low | 70 Ų | 70 | 98.5 Ų | 98.5 | 49% | 0.49 | 54% | 0.538 | S | S | . | . | trans | -71.9 | 114.8 | 166.5 | 51.8 | 0 | 0 | 0 | 0 | 107.8 | S152 T171 | S152-S154 PolarHBondContact O-N 3.5Å; S154-T171 WeakPolarHBondContact CB-O 3.36Å | ||
| 155 | W | 66.5 | Low | 66.2 | Low | 167 Ų | 167 | 100.9 Ų | 100.9 | 63% | 0.633 | 55% | 0.545 | S | S | * | . | trans | -88.2 | 133.9 | 174 | 55.9 | -55.5 | 0 | 0 | 0 | 108.3 | S153 F157 T171 | S153-W155 PolarHBondContact O-N 2.98Å; W155-F157 HydrophobicContact CZ3-CD1 4.5Å; W155-T171 HydrophobicContact CD2-CG2 4.36Å; W155-T171 HydrophobicContact CG-CG2 4.48Å; W155-T171 HydrophobicContact CZ2-CG2 3.96Å; W155-T171 VanDerWaalsContact NE1-CG2 3.25Å; W155-T171 PolarHBondContact NE1-OG1 3.22Å; W155-T171 PolarHBondContact O-N 2.89Å; W155-T171 PolarHBondContact O-OG1 3.06Å | ||
| 156 | T | 74.5 | Confident | 66.7 | Low | 64 Ų | 64 | 102.6 Ų | 102.6 | 39% | 0.393 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.5 | 174.4 | 53.1 | 0 | 0 | 0 | 0 | 108.3 | F169 Q170 | T156-F169 WeakPolarHBondContact CA-O 3.29Å; T156-Q170 HydrophobicContact CG2-CB 3.97Å; T156-Q170 HydrophobicContact CG2-CG 3.86Å |
| 157 | F | 75.4 | Confident | 67.2 | Low | 78 Ų | 78 | 99.4 Ų | 99.4 | 34% | 0.342 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.2 | 175.6 | 75.4 | -95 | 0 | 0 | 0 | 110.7 | W155 L159 F169 | W155-F157 HydrophobicContact CZ3-CD1 4.5Å; F157-L159 HydrophobicContact CD2-CD1 4.18Å; F157-L159 HydrophobicContact CD2-CD2 4.5Å; F157-L159 HydrophobicContact CD2-CG 3.8Å; F157-L159 HydrophobicContact CE2-CD1 3.55Å; F157-L159 HydrophobicContact CE2-CG 3.68Å; F157-F169 HydrophobicContact CD1-CB 3.69Å; F157-F169 HydrophobicContact CD1-CG 4.49Å; F157-F169 HydrophobicContact CD2-CB 4.32Å; F157-F169 AromaticContact CD2-CD2 3.93Å; F157-F169 HydrophobicContact CD2-CD2 3.93Å; F157-F169 HydrophobicContact CD2-CG 4.49Å; F157-F169 HydrophobicContact CE1-CB 3.22Å; F157-F169 HydrophobicContact CE1-CD2 4.07Å; F157-F169 AromaticContact CE1-CG 3.72Å; F157-F169 HydrophobicContact CE1-CG 3.72Å; F157-F169 HydrophobicContact CE2-CB 3.91Å; F157-F169 AromaticContact CE2-CD2 3.14Å; F157-F169 HydrophobicContact CE2-CD2 3.14Å; F157-F169 AromaticContact CE2-CE2 3.76Å; F157-F169 HydrophobicContact CE2-CE2 3.76Å; F157-F169 AromaticContact CE2-CG 3.7Å; F157-F169 HydrophobicContact CE2-CG 3.7Å; F157-F169 HydrophobicContact CG-CB 4.23Å; F157-F169 HydrophobicContact CZ-CB 3.35Å; F157-F169 HydrophobicContact CZ-CD1 4.01Å; F157-F169 AromaticContact CZ-CD2 3.23Å; F157-F169 HydrophobicContact CZ-CD2 3.23Å; F157-F169 AromaticContact CZ-CE2 3.95Å; F157-F169 HydrophobicContact CZ-CE2 3.95Å; F157-F169 AromaticContact CZ-CG 3.25Å; F157-F169 HydrophobicContact CZ-CG 3.25Å; F157-F169 PolarHBondContact N-O 3.43Å; F157-F169 VanDerWaalsContact N-O 3.12Å; F157-F169 PolarHBondContact O-N 2.81Å; F157-F169 VanDerWaalsContact O-N 3.11Å |
| 158 | Y | 77.3 | Confident | 68 | Low | 148 Ų | 148 | 102.6 Ų | 102.6 | 58% | 0.58 | 55% | 0.55 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 115.6 | -177.5 | -60.2 | -85.4 | 0 | 0 | 0 | 108.5 | L166 I168 | Y158-L166 HydrophobicContact CD1-CD1 4.48Å; Y158-L166 HydrophobicContact CD1-CD2 4.14Å; Y158-L166 HydrophobicContact CD1-CG 4.49Å; Y158-I168 HydrophobicContact CD1-CD1 4.4Å; Y158-I168 HydrophobicContact CD1-CG1 3.89Å; Y158-I168 HydrophobicContact CD1-CG2 4.35Å; Y158-I168 HydrophobicContact CE1-CD1 4.07Å; Y158-I168 HydrophobicContact CE1-CG1 3.99Å; Y158-I168 HydrophobicContact CE1-CG2 4.05Å |
| 159 | L | 76.1 | Confident | 68.6 | Low | 98 Ų | 98 | 101.2 Ų | 101.2 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 123.6 | 169.9 | -72.5 | 178.7 | 0 | 0 | 0 | 109.2 | F157 V167 F169 | F157-L159 HydrophobicContact CD2-CD1 4.18Å; F157-L159 HydrophobicContact CD2-CD2 4.5Å; F157-L159 HydrophobicContact CD2-CG 3.8Å; F157-L159 HydrophobicContact CE2-CD1 3.55Å; F157-L159 HydrophobicContact CE2-CG 3.68Å; L159-V167 PolarHBondContact N-O 3.24Å; L159-V167 PolarHBondContact O-N 3.45Å; L159-F169 HydrophobicContact CD1-CE2 4.18Å |
| 160 | Q | 69.9 | Low | 69.2 | Low | 151 Ų | 151 | 104 Ų | 104 | 71% | 0.706 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 110.8 | 167.6 | -170.7 | 171.6 | 7 | 0 | 0 | 107.4 | ||
| 161 | A | 71.5 | Confident | 70.1 | Confident | 45 Ų | 45 | 100.3 Ų | 100.3 | 37% | 0.372 | 53% | 0.53 | S | S | . | . | trans | -76.6 | 158.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | D163 G164 K165 | A161-D163 WeakPolarHBondContact CB-OD1 3.32Å; A161-D163 PolarHBondContact O-N 3.27Å; A161-G164 PolarHBondContact O-N 3.04Å; A161-K165 PolarHBondContact N-O 2.64Å; A161-K165 VanDerWaalsContact N-O 3.12Å | ||
| 162 | D | 70.7 | Confident | 70.3 | Confident | 181 Ų | 181 | 102.1 Ų | 102.1 | 97% | 0.968 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -12.8 | -176.6 | -67.7 | -32.1 | 0 | 0 | 0 | 114.2 | G164 | D162-G164 VanDerWaalsContact C-N 3.32Š|
| 163 | D | 73.3 | Confident | 70.4 | Confident | 96 Ų | 96 | 102.2 Ų | 102.2 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 9.5 | 174.5 | 73.3 | -25 | 0 | 0 | 0 | 114 | A161 K165 | A161-D163 WeakPolarHBondContact CB-OD1 3.32Å; A161-D163 PolarHBondContact O-N 3.27Å; D163-K165 PolarHBondContact O-N 2.82Å; D163-K165 PolarHBondContact OD1-N 3.38Å; D163-K165 WeakPolarHBondContact OD2-CD 3.43Å; D163-K165 WeakPolarHBondContact OD2-CE 3.4Å; D163-K165 IonicContact OD2-NZ 3.33Å; D163-K165 PolarHBondContact OD2-NZ 3.09Å |
| 164 | G | 74.7 | Confident | 69.9 | Low | 53 Ų | 53 | 106.4 Ų | 106.4 | 55% | 0.546 | 55% | 0.545 | S | S | . | . | S | Bend | trans | 75.5 | 7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A161 D162 | A161-G164 PolarHBondContact O-N 3.04Å; D162-G164 VanDerWaalsContact C-N 3.32Å |
| 165 | K | 68.5 | Low | 69.6 | Low | 136 Ų | 136 | 108.8 Ų | 108.8 | 59% | 0.591 | 55% | 0.551 | S | S | * | * | trans | -90.1 | 133.2 | 176.3 | -64.2 | -176.5 | -164.2 | 128.9 | 0 | 110.8 | A161 D163 | A161-K165 PolarHBondContact N-O 2.64Å; A161-K165 VanDerWaalsContact N-O 3.12Å; D163-K165 PolarHBondContact O-N 2.82Å; D163-K165 PolarHBondContact OD1-N 3.38Å; D163-K165 WeakPolarHBondContact OD2-CD 3.43Å; D163-K165 WeakPolarHBondContact OD2-CE 3.4Å; D163-K165 IonicContact OD2-NZ 3.33Å; D163-K165 PolarHBondContact OD2-NZ 3.09Å | ||
| 166 | L | 78.1 | Confident | 68.4 | Low | 105 Ų | 105 | 108.9 Ų | 108.9 | 55% | 0.55 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.3 | 119.5 | 176.3 | -171 | 72.3 | 0 | 0 | 0 | 109.4 | Y158 I168 | Y158-L166 HydrophobicContact CD1-CD1 4.48Å; Y158-L166 HydrophobicContact CD1-CD2 4.14Å; Y158-L166 HydrophobicContact CD1-CG 4.49Å; L166-I168 HydrophobicContact CD2-CD1 4.48Å; L166-I168 HydrophobicContact CD2-CG1 4.33Å; L166-I168 HydrophobicContact CG-CG1 4.39Å |
| 167 | V | 74.7 | Confident | 67.1 | Low | 67 Ų | 67 | 113.8 Ų | 113.8 | 41% | 0.406 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.7 | 172.3 | -172.1 | 0 | 0 | 0 | 0 | 108.5 | L159 F169 | L159-V167 PolarHBondContact N-O 3.24Å; L159-V167 PolarHBondContact O-N 3.45Å; V167-F169 HydrophobicContact CB-CE2 3.95Å; V167-F169 HydrophobicContact CB-CZ 4.5Å; V167-F169 HydrophobicContact CG1-CD2 4.03Å; V167-F169 HydrophobicContact CG1-CE1 4.34Å; V167-F169 HydrophobicContact CG1-CE2 3.4Å; V167-F169 HydrophobicContact CG1-CZ 3.59Å |
| 168 | I | 77.3 | Confident | 65.4 | Low | 98 Ų | 98 | 117.6 Ų | 117.6 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.6 | 120.7 | -179 | -51.8 | 174.9 | 0 | 0 | 0 | 107.6 | Y158 L166 | Y158-I168 HydrophobicContact CD1-CD1 4.4Å; Y158-I168 HydrophobicContact CD1-CG1 3.89Å; Y158-I168 HydrophobicContact CD1-CG2 4.35Å; Y158-I168 HydrophobicContact CE1-CD1 4.07Å; Y158-I168 HydrophobicContact CE1-CG1 3.99Å; Y158-I168 HydrophobicContact CE1-CG2 4.05Å; L166-I168 HydrophobicContact CD2-CD1 4.48Å; L166-I168 HydrophobicContact CD2-CG1 4.33Å; L166-I168 HydrophobicContact CG-CG1 4.39Å |
| 169 | F | 72.3 | Confident | 63.9 | Low | 95 Ų | 95 | 115.5 Ų | 115.5 | 42% | 0.417 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.4 | 116.3 | 173.5 | -66.1 | -90.3 | 0 | 0 | 0 | 108.5 | T156 F157 L159 V167 | T156-F169 WeakPolarHBondContact CA-O 3.29Å; F157-F169 HydrophobicContact CD1-CB 3.69Å; F157-F169 HydrophobicContact CD1-CG 4.49Å; F157-F169 HydrophobicContact CD2-CB 4.32Å; F157-F169 AromaticContact CD2-CD2 3.93Å; F157-F169 HydrophobicContact CD2-CD2 3.93Å; F157-F169 HydrophobicContact CD2-CG 4.49Å; F157-F169 HydrophobicContact CE1-CB 3.22Å; F157-F169 HydrophobicContact CE1-CD2 4.07Å; F157-F169 AromaticContact CE1-CG 3.72Å; F157-F169 HydrophobicContact CE1-CG 3.72Å; F157-F169 HydrophobicContact CE2-CB 3.91Å; F157-F169 AromaticContact CE2-CD2 3.14Å; F157-F169 HydrophobicContact CE2-CD2 3.14Å; F157-F169 AromaticContact CE2-CE2 3.76Å; F157-F169 HydrophobicContact CE2-CE2 3.76Å; F157-F169 AromaticContact CE2-CG 3.7Å; F157-F169 HydrophobicContact CE2-CG 3.7Å; F157-F169 HydrophobicContact CG-CB 4.23Å; F157-F169 HydrophobicContact CZ-CB 3.35Å; F157-F169 HydrophobicContact CZ-CD1 4.01Å; F157-F169 AromaticContact CZ-CD2 3.23Å; F157-F169 HydrophobicContact CZ-CD2 3.23Å; F157-F169 AromaticContact CZ-CE2 3.95Å; F157-F169 HydrophobicContact CZ-CE2 3.95Å; F157-F169 AromaticContact CZ-CG 3.25Å; F157-F169 HydrophobicContact CZ-CG 3.25Å; F157-F169 PolarHBondContact N-O 3.43Å; F157-F169 VanDerWaalsContact N-O 3.12Å; F157-F169 PolarHBondContact O-N 2.81Å; F157-F169 VanDerWaalsContact O-N 3.11Å; L159-F169 HydrophobicContact CD1-CE2 4.18Å; V167-F169 HydrophobicContact CB-CE2 3.95Å; V167-F169 HydrophobicContact CB-CZ 4.5Å; V167-F169 HydrophobicContact CG1-CD2 4.03Å; V167-F169 HydrophobicContact CG1-CE1 4.34Å; V167-F169 HydrophobicContact CG1-CE2 3.4Å; V167-F169 HydrophobicContact CG1-CZ 3.59Å |
| 170 | Q | 72.2 | Confident | 62.2 | Low | 132 Ų | 132 | 115.2 Ų | 115.2 | 62% | 0.617 | 61% | 0.613 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -116 | 127 | 178.1 | 178.2 | 176.4 | -3.9 | 0 | 0 | 108.9 | T156 | T156-Q170 HydrophobicContact CG2-CB 3.97Å; T156-Q170 HydrophobicContact CG2-CG 3.86Å |
| 171 | T | 71.4 | Confident | 60.7 | Low | 48 Ų | 48 | 118.3 Ų | 118.3 | 29% | 0.294 | 63% | 0.625 | S | S | . | * | trans | -97.9 | 130.7 | 171.7 | 65.9 | 0 | 0 | 0 | 0 | 110.5 | S154 W155 | S154-T171 WeakPolarHBondContact CB-O 3.36Å; W155-T171 HydrophobicContact CD2-CG2 4.36Å; W155-T171 HydrophobicContact CG-CG2 4.48Å; W155-T171 HydrophobicContact CZ2-CG2 3.96Å; W155-T171 VanDerWaalsContact NE1-CG2 3.25Å; W155-T171 PolarHBondContact NE1-OG1 3.22Å; W155-T171 PolarHBondContact O-N 2.89Å; W155-T171 PolarHBondContact O-OG1 3.06Å | ||
| 172 | E | 59.1 | Low | 59 | Low | 159 Ų | 159 | 124.8 Ų | 124.8 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | trans | -95.9 | 135.1 | 168.1 | -72.1 | -177.4 | 146.9 | 0 | 0 | 110.5 | Q174 | E172-Q174 PolarHBondContact O-N 3.35Š| ||
| 173 | P | 55 | Low | 57.5 | Low | 75 Ų | 75 | 124.4 Ų | 124.4 | 49% | 0.487 | 65% | 0.645 | S | S | . | * | trans | -72.7 | 110.1 | 174.7 | 28.9 | -31.8 | 0 | 0 | 0 | 109.9 | I175 | P173-I175 PolarHBondContact O-N 3.41Š| ||
| 174 | Q | 47.5 | Very low | 55.6 | Low | 168 Ų | 168 | 127.8 Ų | 127.8 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | trans | -82.9 | 90.6 | 168.9 | -71.9 | -158.8 | 10 | 0 | 0 | 110.3 | E172 Q176 | E172-Q174 PolarHBondContact O-N 3.35Å; Q174-Q176 PolarHBondContact O-N 3.08Å | ||
| 175 | I | 55.5 | Low | 53.9 | Low | 120 Ų | 120 | 134.7 Ų | 134.7 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | trans | -80.7 | 100.7 | 166.9 | 12 | 168.7 | 0 | 0 | 0 | 108.2 | P173 F177 | P173-I175 PolarHBondContact O-N 3.41Å; I175-F177 HydrophobicContact CB-CE2 4.1Å; I175-F177 HydrophobicContact CB-CZ 4.32Å; I175-F177 HydrophobicContact CD1-CE2 3.83Å; I175-F177 HydrophobicContact CD1-CZ 3.84Å; I175-F177 HydrophobicContact CG1-CE2 4.32Å; I175-F177 PolarHBondContact O-N 3.33Å | ||
| 176 | Q | 40.7 | Very low | 52.1 | Low | 169 Ų | 169 | 135 Ų | 135 | 79% | 0.79 | 68% | 0.68 | S | S | * | * | trans | -78.2 | 100.1 | 164.8 | -69.8 | -176 | 13.2 | 0 | 0 | 108.1 | Q174 I178 | Q174-Q176 PolarHBondContact O-N 3.08Å; Q176-I178 PolarHBondContact O-N 2.73Å | ||
| 177 | F | 47 | Very low | 49.8 | Very low | 167 Ų | 167 | 137 Ų | 137 | 73% | 0.732 | 69% | 0.691 | S | S | * | * | trans | -69.3 | 114.2 | 166.4 | -65 | -81.1 | 0 | 0 | 0 | 107.8 | I175 P179 | I175-F177 HydrophobicContact CB-CE2 4.1Å; I175-F177 HydrophobicContact CB-CZ 4.32Å; I175-F177 HydrophobicContact CD1-CE2 3.83Å; I175-F177 HydrophobicContact CD1-CZ 3.84Å; I175-F177 HydrophobicContact CG1-CE2 4.32Å; I175-F177 PolarHBondContact O-N 3.33Å; F177-P179 WeakPolarHBondContact O-CD 3.38Å | ||
| 178 | I | 40.9 | Very low | 47.8 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | trans | -72.2 | 109.4 | 166 | -56.4 | 170.2 | 0 | 0 | 0 | 105.3 | Q176 A180 | Q176-I178 PolarHBondContact O-N 2.73Å; I178-A180 PolarHBondContact O-N 2.92Å | ||
| 179 | P | 44.5 | Very low | 45.4 | Very low | 105 Ų | 105 | 146.2 Ų | 146.2 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | trans | -65 | 130.2 | 178.1 | 27 | -31.1 | 0 | 0 | 0 | 108.3 | F177 F181 | F177-P179 WeakPolarHBondContact O-CD 3.38Å; P179-F181 PolarHBondContact O-N 2.84Å | ||
| 180 | A | 42.4 | Very low | 43.2 | Very low | 91 Ų | 91 | 145.3 Ų | 145.3 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | -52.9 | 129.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | I178 E182 | I178-A180 PolarHBondContact O-N 2.92Å; A180-E182 PolarHBondContact O-N 3.49Å | ||
| 181 | F | 38.1 | Very low | 41 | Very low | 216 Ų | 216 | 147.7 Ų | 147.7 | 95% | 0.947 | 75% | 0.753 | S | S | * | * | trans | -36.6 | 103.1 | -179.3 | -94.7 | -100.7 | 0 | 0 | 0 | 112.4 | P179 L183 | P179-F181 PolarHBondContact O-N 2.84Å; F181-L183 PolarHBondContact O-N 3.18Å | ||
| 182 | E | 34.6 | Very low | 39.5 | Very low | 181 Ų | 181 | 150.2 Ų | 150.2 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -73.5 | 110.1 | 162.7 | -81.8 | -174.5 | 157 | 0 | 0 | 107.5 | A180 Q184 | A180-E182 PolarHBondContact O-N 3.49Å; E182-Q184 VanDerWaalsContact C-N 3.27Å; E182-Q184 PolarHBondContact O-N 3.47Å | ||
| 183 | L | 38.9 | Very low | 37.9 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | trans | -67.5 | 89.4 | 169.1 | -169.6 | 74 | 0 | 0 | 0 | 108 | F181 K185 | F181-L183 PolarHBondContact O-N 3.18Å; L183-K185 PolarHBondContact O-N 3.05Å | ||
| 184 | Q | 34.2 | Very low | 36.4 | Very low | 167 Ų | 167 | 154.9 Ų | 154.9 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | -64.2 | 115.9 | 178.2 | -162.9 | 171.6 | 57.6 | 0 | 0 | 109.5 | E182 | E182-Q184 VanDerWaalsContact C-N 3.27Å; E182-Q184 PolarHBondContact O-N 3.47Å | ||
| 185 | K | 37.9 | Very low | 35.3 | Very low | 198 Ų | 198 | 158.3 Ų | 158.3 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -97.4 | 98.4 | 175.6 | -164.3 | -176.1 | -171.6 | -176.8 | 0 | 106.6 | L183 | L183-K185 PolarHBondContact O-N 3.05Š| ||
| 186 | D | 30.8 | Very low | 33.9 | Very low | 142 Ų | 142 | 163.1 Ų | 163.1 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | trans | -123.9 | 123.5 | 168.6 | -89.3 | -41 | 0 | 0 | 0 | 111.1 | ||||
| 187 | D | 30.3 | Very low | 33.8 | Very low | 146 Ų | 146 | 161.1 Ų | 161.1 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | trans | -92.7 | 114.4 | -175.3 | -146.3 | -30.5 | 0 | 0 | 0 | 108.6 | ||||
| 188 | V | 32.8 | Very low | 33 | Very low | 113 Ų | 113 | 156.4 Ų | 156.4 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | 47.1 | 123.9 | 136.1 | -179.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 189 | R | 27.5 | Very low | 32.5 | Very low | 247 Ų | 247 | 157.6 Ų | 157.6 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | 174.8 | 128.8 | 95.7 | -148.5 | 164.4 | -140.2 | -120.4 | 1.4 | 114.5 | |||||
| 190 | G | 25.4 | Very low | 31.8 | Very low | 75 Ų | 75 | 156.2 Ų | 156.2 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | 146.6 | 81.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 191 | E | 25.8 | Very low | 31.2 | Very low | 183 Ų | 183 | 157.5 Ų | 157.5 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | -76 | -165.6 | 174.7 | -49 | -157.5 | 117 | 0 | 0 | 114.2 | ||||
| 192 | P | 39.5 | Very low | 31.7 | Very low | 101 Ų | 101 | 152.5 Ų | 152.5 | 66% | 0.656 | 81% | 0.806 | S | S | * | * | cis | -146.2 | -179.3 | -3.6 | 28.1 | -1.8 | 0 | 0 | 0 | 119 | ||||
| 193 | Q | 25.5 | Very low | 31.5 | Very low | 157 Ų | 157 | 150.5 Ų | 150.5 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | 111.3 | 126.6 | 153.7 | -68 | -168.8 | 10.8 | 0 | 0 | 114.9 | ||||
| 194 | K | 25.3 | Very low | 31.5 | Very low | 175 Ų | 175 | 152 Ų | 152 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | cis | -156.5 | 154 | 13.4 | -88.6 | 144.6 | 175.5 | 169.1 | 0 | 104.7 | ||||
| 195 | R | 24.6 | Very low | 31.2 | Very low | 240 Ų | 240 | 152.8 Ų | 152.8 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | cis | -177.8 | 132.9 | 49.9 | -152 | 176.6 | -146 | -172 | 4.2 | 108.1 | ||||
| 196 | Y | 25.8 | Very low | 30.9 | Very low | 221 Ų | 221 | 149.1 Ų | 149.1 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -89.7 | 174.3 | 169.8 | -86.7 | -77.7 | 0 | 0 | 0 | 110.6 | ||||
| 197 | P | 37.4 | Very low | 30.9 | Very low | 126 Ų | 126 | 151.3 Ų | 151.3 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | cis | -136.7 | 146.6 | 34.4 | 36.1 | -14.7 | 0 | 0 | 0 | 116.5 | ||||
| 198 | G | 30.6 | Very low | 30.7 | Very low | 69 Ų | 69 | 152 Ų | 152 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | 108.2 | 139.8 | 78.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 199 | L | 29.7 | Very low | 31.1 | Very low | 182 Ų | 182 | 158.4 Ų | 158.4 | 95% | 0.953 | 80% | 0.801 | S | S | * | * | cis | -174.4 | 145.3 | 20.1 | -177.1 | 74.5 | 0 | 0 | 0 | 107.2 | ||||
| 200 | G | 29.8 | Very low | 31.1 | Very low | 76 Ų | 76 | 151.2 Ų | 151.2 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | 104.8 | 103.8 | 149.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 201 | S | 30.5 | Very low | 31.2 | Very low | 118 Ų | 118 | 156.9 Ų | 156.9 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -72.7 | -173.3 | 156.2 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 202 | P | 49 | Very low | 31.7 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | -120.4 | 151.4 | -70 | 35.9 | -20.8 | 0 | 0 | 0 | 110.9 | |||||
| 203 | V | 30 | Very low | 31.3 | Very low | 140 Ų | 140 | 155.4 Ų | 155.4 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -145.1 | 116 | 165.1 | -178.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 204 | Y | 39.3 | Very low | 31.6 | Very low | 205 Ų | 205 | 154.7 Ų | 154.7 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -70.9 | 128.5 | 163.9 | -157 | -86.4 | 0 | 0 | 0 | 108.9 | ||||
| 205 | K | 26.7 | Very low | 32 | Very low | 183 Ų | 183 | 155.9 Ų | 155.9 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | -167.6 | 128 | 147.6 | -115 | 173.4 | -178.8 | 177.9 | 0 | 112.3 | ||||
| 206 | D | 33.1 | Very low | 32.4 | Very low | 121 Ų | 121 | 151.4 Ų | 151.4 | 65% | 0.647 | 77% | 0.774 | S | S | * | * | trans | -39.1 | 158.7 | 156.3 | -70.7 | -71.4 | 0 | 0 | 0 | 113 | ||||
| 207 | Y | 29.7 | Very low | 32.9 | Very low | 188 Ų | 188 | 150.7 Ų | 150.7 | 74% | 0.737 | 77% | 0.77 | S | S | * | * | 179.2 | 130.2 | 114.5 | -105.9 | -91.1 | 0 | 0 | 0 | 112.2 | |||||
| 208 | Q | 26.4 | Very low | 32.5 | Very low | 160 Ų | 160 | 151.3 Ų | 151.3 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | 36.4 | 118.6 | 138.6 | -70.9 | -168.5 | -42.4 | 0 | 0 | 122.8 | ||||
| 209 | R | 41.8 | Very low | 33 | Very low | 248 Ų | 248 | 157.4 Ų | 157.4 | 94% | 0.936 | 78% | 0.778 | S | S | * | * | trans | -23.4 | 116.6 | 132.6 | -165.7 | -177 | -147.7 | 146.5 | 3.7 | 115.6 | ||||
| 210 | S | 26.5 | Very low | 33.2 | Very low | 96 Ų | 96 | 159.1 Ų | 159.1 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | trans | -171.5 | 124.1 | 141.9 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 211 | F | 29.2 | Very low | 33.4 | Very low | 194 Ų | 194 | 160.8 Ų | 160.8 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | 63.9 | 114.6 | 134.3 | -82.5 | -99.5 | 0 | 0 | 0 | 122.3 | ||||
| 212 | V | 34.7 | Very low | 33.4 | Very low | 106 Ų | 106 | 162 Ų | 162 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | 69.5 | 125.5 | 121.2 | 173.7 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 213 | Q | 32.2 | Very low | 32.7 | Very low | 147 Ų | 147 | 168 Ų | 168 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | trans | 51.4 | 124.4 | 153.7 | -91.9 | 167.6 | -86 | 0 | 0 | 119.2 | ||||
| 214 | E | 30.9 | Very low | 32.8 | Very low | 143 Ų | 143 | 165.5 Ų | 165.5 | 67% | 0.668 | 76% | 0.762 | S | S | * | * | -169.4 | 151.6 | 92.8 | -153.8 | 76 | -139.6 | 0 | 0 | 109.3 | |||||
| 215 | R | 34.6 | Very low | 33.2 | Very low | 199 Ų | 199 | 163.1 Ų | 163.1 | 75% | 0.751 | 76% | 0.762 | S | S | * | * | trans | -62.7 | 153.1 | -178.1 | -53.9 | 167.1 | -176.4 | 98.7 | -4.8 | 112.9 | ||||
| 216 | D | 31.6 | Very low | 33.8 | Very low | 146 Ų | 146 | 161.6 Ų | 161.6 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | -159.6 | 150.9 | 108.8 | -142.2 | -8.8 | 0 | 0 | 0 | 113 | |||||
| 217 | R | 36.1 | Very low | 34.4 | Very low | 207 Ų | 207 | 164.4 Ų | 164.4 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | -50 | 169 | -177.5 | -76.5 | 174 | 172.4 | 177 | -0.4 | 117.4 | ||||
| 218 | D | 29.7 | Very low | 35.1 | Very low | 139 Ų | 139 | 160.8 Ų | 160.8 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | cis | -169.2 | 132.2 | -1.4 | -99.2 | -31.4 | 0 | 0 | 0 | 105.9 | ||||
| 219 | M | 41.5 | Very low | 35.7 | Very low | 197 Ų | 197 | 159.5 Ų | 159.5 | 97% | 0.97 | 76% | 0.764 | S | S | * | * | trans | -165.3 | 143.7 | 135 | -142.2 | 176.3 | 75.5 | 0 | 0 | 111.1 | ||||
| 220 | Y | 33 | Very low | 36.2 | Very low | 217 Ų | 217 | 157.4 Ų | 157.4 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | trans | -98.5 | 146.2 | -148.4 | -156.7 | -124 | 0 | 0 | 0 | 112.5 | ||||
| 221 | V | 35.5 | Very low | 37.6 | Very low | 111 Ų | 111 | 157.4 Ų | 157.4 | 67% | 0.673 | 75% | 0.749 | S | S | * | * | trans | 90.9 | 97.1 | 151.3 | -162.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 222 | D | 30.1 | Very low | 39 | Very low | 144 Ų | 144 | 155 Ų | 155 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | 62.4 | 97.6 | 120.9 | -153.6 | 36.9 | 0 | 0 | 0 | 120.6 | |||||
| 223 | R | 33.3 | Very low | 39.9 | Very low | 237 Ų | 237 | 153.2 Ų | 153.2 | 89% | 0.894 | 73% | 0.729 | S | S | * | * | -149.2 | 118.1 | 128.9 | -159.4 | 112.1 | 95.2 | 102.3 | 5.2 | 110.9 | |||||
| 224 | S | 33.5 | Very low | 41.1 | Very low | 87 Ų | 87 | 150.2 Ų | 150.2 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | trans | -42.5 | 131.8 | 174.6 | 42.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 225 | I | 46.1 | Very low | 42.3 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 80% | 0.795 | 73% | 0.727 | S | S | * | * | trans | 40 | 95.7 | 131.1 | -47.9 | 175 | 0 | 0 | 0 | 116.1 | ||||
| 226 | N | 39.2 | Very low | 43.2 | Very low | 151 Ų | 151 | 144.5 Ų | 144.5 | 81% | 0.807 | 72% | 0.719 | S | S | * | * | trans | 174.3 | 85.9 | 132.4 | -104.1 | -8.8 | 0 | 0 | 0 | 111.7 | ||||
| 227 | E | 46.4 | Very low | 44.2 | Very low | 181 Ų | 181 | 139.9 Ų | 139.9 | 85% | 0.846 | 70% | 0.699 | S | S | * | * | trans | -137 | 105.7 | 146.6 | -65.7 | -156.7 | 163.1 | 0 | 0 | 102.5 | ||||
| 228 | D | 43.5 | Very low | 45.1 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 60% | 0.599 | 70% | 0.7 | S | S | * | * | -163.2 | 120.5 | 88.2 | -66.5 | -42.7 | 0 | 0 | 0 | 110.4 | Y230 | D228-Y230 HydrophobicContact CB-CE1 4.18Š| |||
| 229 | N | 40.5 | Very low | 46.6 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | trans | -148.4 | 94.3 | 158.5 | -90.4 | -53.2 | 0 | 0 | 0 | 108.5 | N231 | N229-N231 PolarHBondContact O-N 3.45Å; N229-N231 PolarHBondContact O-ND2 2.92Å | ||
| 230 | Y | 52.9 | Low | 47.3 | Very low | 203 Ų | 203 | 136 Ų | 136 | 80% | 0.796 | 69% | 0.688 | S | S | * | * | trans | -68.2 | 83.9 | 163.9 | 2.7 | -86.3 | 0 | 0 | 0 | 107.8 | D228 L232 | D228-Y230 HydrophobicContact CB-CE1 4.18Å; Y230-L232 PolarHBondContact O-N 2.91Å; Y230-L232 VanDerWaalsContact O-N 3.15Å | ||
| 231 | N | 55.7 | Low | 48.4 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 51% | 0.513 | 69% | 0.689 | S | S | . | * | trans | -74.1 | 103 | 178.8 | -69.5 | -52.6 | 0 | 0 | 0 | 109.4 | N229 F233 S234 | N229-N231 PolarHBondContact O-N 3.45Å; N229-N231 PolarHBondContact O-ND2 2.92Å; N231-F233 PolarHBondContact O-N 3.45Å; N231-S234 VanDerWaalsContact O-CB 3.28Å; N231-S234 WeakPolarHBondContact O-CB 3.4Å; N231-S234 PolarHBondContact O-N 3.49Å | ||
| 232 | L | 56.8 | Low | 49.5 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -47.6 | -25.6 | 169.2 | -170.3 | 109.6 | 0 | 0 | 0 | 112.6 | Y230 S234 | Y230-L232 PolarHBondContact O-N 2.91Å; Y230-L232 VanDerWaalsContact O-N 3.15Å; L232-S234 VanDerWaalsContact C-N 3.34Å; L232-S234 PolarHBondContact O-N 3.43Å |
| 233 | F | 54.3 | Low | 51.6 | Low | 69 Ų | 69 | 133 Ų | 133 | 30% | 0.303 | 67% | 0.669 | S | S | . | * | G | 310 helix | trans | -75.8 | -12.9 | 178.9 | -60.5 | -69.9 | 0 | 0 | 0 | 115.1 | N231 C235 L236 S237 L247 T248 L251 | N231-F233 PolarHBondContact O-N 3.45Å; F233-C235 PolarHBondContact O-N 3.21Å; F233-L236 PolarHBondContact O-N 3.08Å; F233-S237 PolarHBondContact O-N 3.2Å; F233-S237 VanDerWaalsContact O-N 3.1Å; F233-S237 PolarHBondContact O-OG 3.17Å; F233-L247 HydrophobicContact CD1-CD2 3.78Å; F233-L247 HydrophobicContact CE1-CD2 4.11Å; F233-T248 HydrophobicContact CD2-CG2 4.12Å; F233-T248 HydrophobicContact CE2-CG2 4.24Å; F233-T248 HydrophobicContact CG-CG2 4.31Å; F233-L251 HydrophobicContact CE1-CD1 3.87Å; F233-L251 HydrophobicContact CZ-CD1 4.27Å |
| 234 | S | 56.8 | Low | 53.2 | Low | 84 Ų | 84 | 123.3 Ų | 123.3 | 59% | 0.587 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -65.3 | -26 | -178.7 | -170.8 | 0 | 0 | 0 | 0 | 113 | N231 L232 S237 | N231-S234 VanDerWaalsContact O-CB 3.28Å; N231-S234 WeakPolarHBondContact O-CB 3.4Å; N231-S234 PolarHBondContact O-N 3.49Å; L232-S234 VanDerWaalsContact C-N 3.34Å; L232-S234 PolarHBondContact O-N 3.43Å; S234-S237 PolarHBondContact O-OG 3.37Å |
| 235 | C | 57 | Low | 54.9 | Low | 109 Ų | 109 | 129.3 Ų | 129.3 | 74% | 0.736 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -28.9 | 175.8 | -71.7 | 0 | 0 | 0 | 0 | 113.4 | F233 | F233-C235 PolarHBondContact O-N 3.21Š|
| 236 | L | 53.9 | Low | 56.3 | Low | 112 Ų | 112 | 125.7 Ų | 125.7 | 59% | 0.586 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -25.6 | 179.6 | -77.1 | 158.9 | 0 | 0 | 0 | 112.5 | F233 R238 L247 | F233-L236 PolarHBondContact O-N 3.08Å; L236-R238 PolarHBondContact O-N 2.92Å; L236-L247 HydrophobicContact CB-CD1 4.11Å |
| 237 | S | 52.8 | Low | 57.9 | Low | 49 Ų | 49 | 120.7 Ų | 120.7 | 34% | 0.343 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.7 | 14.9 | -180 | 71.3 | 0 | 0 | 0 | 0 | 114.3 | F233 S234 N239 | F233-S237 PolarHBondContact O-N 3.2Å; F233-S237 VanDerWaalsContact O-N 3.1Å; F233-S237 PolarHBondContact O-OG 3.17Å; S234-S237 PolarHBondContact O-OG 3.37Å; S237-N239 PolarHBondContact O-N 2.99Å; S237-N239 VanDerWaalsContact O-N 3.14Å |
| 238 | R | 55.2 | Low | 59.3 | Low | 217 Ų | 217 | 114 Ų | 114 | 82% | 0.819 | 58% | 0.578 | S | S | * | * | trans | -72.3 | -3 | -176.2 | -157.3 | 156.8 | 176.7 | 149.9 | -4.2 | 113.8 | L236 | L236-R238 PolarHBondContact O-N 2.92Š| ||
| 239 | N | 60.7 | Low | 61 | Low | 121 Ų | 121 | 111.9 Ų | 111.9 | 65% | 0.647 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -88.4 | 119.5 | 169.9 | -68.3 | -35.8 | 0 | 0 | 0 | 110 | S237 W241 | S237-N239 PolarHBondContact O-N 2.99Å; S237-N239 VanDerWaalsContact O-N 3.14Å; N239-W241 PolarHBondContact O-N 3.22Å |
| 240 | P | 55.6 | Low | 63.1 | Low | 123 Ų | 123 | 109.2 Ų | 109.2 | 80% | 0.799 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 9 | -169.2 | 23.2 | -30.1 | 0 | 0 | 0 | 116.1 | ||
| 241 | W | 57.5 | Low | 64.5 | Low | 232 Ų | 232 | 102.7 Ų | 102.7 | 88% | 0.879 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | -1.2 | -173.7 | -78 | 81.1 | 0 | 0 | 0 | 114.9 | N239 | N239-W241 PolarHBondContact O-N 3.22Š|
| 242 | L | 58.2 | Low | 65.9 | Low | 105 Ų | 105 | 102.6 Ų | 102.6 | 55% | 0.55 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -126.3 | 108.9 | 179.1 | -102.3 | 138.6 | 0 | 0 | 0 | 110.9 | G244 I246 | L242-G244 PolarHBondContact O-N 2.75Å; L242-I246 HydrophobicContact CD2-CB 4.1Å; L242-I246 HydrophobicContact CD2-CG2 3.76Å |
| 243 | P | 72.8 | Confident | 67.2 | Low | 73 Ų | 73 | 100.6 Ų | 100.6 | 47% | 0.474 | 53% | 0.525 | S | S | . | . | trans | -56.1 | 132.4 | 172.8 | -12.8 | 19.8 | 0 | 0 | 0 | 110.3 | W245 I246 | P243-W245 PolarHBondContact O-N 3.38Å; P243-I246 HydrophobicContact CB-CD1 4.43Å; P243-I246 HydrophobicContact CB-CG1 4.21Å; P243-I246 HydrophobicContact CG-CD1 3.75Å; P243-I246 HydrophobicContact CG-CG1 4.08Å; P243-I246 WeakPolarHBondContact O-CB 3.48Å; P243-I246 PolarHBondContact O-N 2.92Å | ||
| 244 | G | 66.9 | Low | 68.7 | Low | 33 Ų | 33 | 100.2 Ų | 100.2 | 34% | 0.34 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -55.9 | -26.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L242 I246 L247 T248 | L242-G244 PolarHBondContact O-N 2.75Å; G244-I246 VanDerWaalsContact C-N 3.29Å; G244-I246 PolarHBondContact O-N 3.28Å; G244-L247 PolarHBondContact O-N 2.65Å; G244-T248 PolarHBondContact O-N 2.69Å; G244-T248 PolarHBondContact O-OG1 3.23Å |
| 245 | W | 70.2 | Confident | 70.4 | Confident | 214 Ų | 214 | 100 Ų | 100 | 81% | 0.811 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.7 | -30.4 | 172.7 | -59.8 | 90.8 | 0 | 0 | 0 | 113.5 | P243 T248 T249 | P243-W245 PolarHBondContact O-N 3.38Å; W245-T248 WeakPolarHBondContact CA-OG1 3.22Å; W245-T248 PolarHBondContact O-OG1 3.46Å; W245-T248 VanDerWaalsContact O-OG1 3.11Å; W245-T249 WeakPolarHBondContact O-CB 3.42Å; W245-T249 WeakPolarHBondContact O-CG2 3.28Å; W245-T249 PolarHBondContact O-N 2.84Å; W245-T249 PolarHBondContact O-OG1 3.4Å |
| 246 | I | 75.8 | Confident | 71.8 | Confident | 78 Ų | 78 | 99.6 Ų | 99.6 | 40% | 0.4 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.1 | -36.2 | 175.9 | -59.1 | -171.4 | 0 | 0 | 0 | 110 | L242 P243 G244 T249 T250 | L242-I246 HydrophobicContact CD2-CB 4.1Å; L242-I246 HydrophobicContact CD2-CG2 3.76Å; P243-I246 HydrophobicContact CB-CD1 4.43Å; P243-I246 HydrophobicContact CB-CG1 4.21Å; P243-I246 HydrophobicContact CG-CD1 3.75Å; P243-I246 HydrophobicContact CG-CG1 4.08Å; P243-I246 WeakPolarHBondContact O-CB 3.48Å; P243-I246 PolarHBondContact O-N 2.92Å; G244-I246 VanDerWaalsContact C-N 3.29Å; G244-I246 PolarHBondContact O-N 3.28Å; I246-T249 VanDerWaalsContact CA-OG1 3.32Å; I246-T249 WeakPolarHBondContact CA-OG1 3.37Å; I246-T249 PolarHBondContact O-OG1 3.28Å; I246-T249 VanDerWaalsContact O-OG1 3.05Å; I246-T250 HydrophobicContact CG2-CG2 4.22Å; I246-T250 WeakPolarHBondContact O-CB 3.32Å; I246-T250 WeakPolarHBondContact O-CG2 3.5Å; I246-T250 PolarHBondContact O-N 2.95Å; I246-T250 PolarHBondContact O-OG1 2.84Å |
| 247 | L | 71.6 | Confident | 73.5 | Confident | 46 Ų | 46 | 98 Ų | 98 | 24% | 0.241 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -70.1 | -42.8 | 178.3 | -161.3 | 156.6 | 0 | 0 | 0 | 111.1 | F233 L236 G244 T250 L251 | F233-L247 HydrophobicContact CD1-CD2 3.78Å; F233-L247 HydrophobicContact CE1-CD2 4.11Å; L236-L247 HydrophobicContact CB-CD1 4.11Å; G244-L247 PolarHBondContact O-N 2.65Å; L247-T250 WeakPolarHBondContact CA-OG1 3.25Å; L247-T250 PolarHBondContact O-OG1 3.35Å; L247-L251 VanDerWaalsContact O-CB 3.3Å; L247-L251 WeakPolarHBondContact O-CB 3.47Å; L247-L251 PolarHBondContact O-N 3.3Å |
| 248 | T | 76.3 | Confident | 75 | Confident | 40 Ų | 40 | 100.7 Ų | 100.7 | 25% | 0.245 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -66.7 | -42.8 | 176.2 | 56.4 | 0 | 0 | 0 | 0 | 111.8 | F233 G244 W245 L251 I252 | F233-T248 HydrophobicContact CD2-CG2 4.12Å; F233-T248 HydrophobicContact CE2-CG2 4.24Å; F233-T248 HydrophobicContact CG-CG2 4.31Å; G244-T248 PolarHBondContact O-N 2.69Å; G244-T248 PolarHBondContact O-OG1 3.23Å; W245-T248 WeakPolarHBondContact CA-OG1 3.22Å; W245-T248 PolarHBondContact O-OG1 3.46Å; W245-T248 VanDerWaalsContact O-OG1 3.11Å; T248-L251 PolarHBondContact O-N 2.86Å; T248-I252 WeakPolarHBondContact O-CB 3.36Å; T248-I252 WeakPolarHBondContact O-CD1 3.43Å; T248-I252 WeakPolarHBondContact O-CG1 3.43Å; T248-I252 PolarHBondContact O-N 3.33Å |
| 249 | T | 80.3 | Confident | 76.6 | Confident | 69 Ų | 69 | 94.8 Ų | 94.8 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 177.5 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | W245 I246 I252 L253 | W245-T249 WeakPolarHBondContact O-CB 3.42Å; W245-T249 WeakPolarHBondContact O-CG2 3.28Å; W245-T249 PolarHBondContact O-N 2.84Å; W245-T249 PolarHBondContact O-OG1 3.4Å; I246-T249 VanDerWaalsContact CA-OG1 3.32Å; I246-T249 WeakPolarHBondContact CA-OG1 3.37Å; I246-T249 PolarHBondContact O-OG1 3.28Å; I246-T249 VanDerWaalsContact O-OG1 3.05Å; T249-I252 PolarHBondContact O-N 2.93Å; T249-L253 VanDerWaalsContact O-CB 3.28Å; T249-L253 WeakPolarHBondContact O-CB 3.3Å; T249-L253 WeakPolarHBondContact O-CG 3.17Å; T249-L253 PolarHBondContact O-N 3.34Å |
| 250 | T | 84.1 | Confident | 78 | Confident | 76 Ų | 76 | 97.7 Ų | 97.7 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 177 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | I246 L247 L253 S254 | I246-T250 HydrophobicContact CG2-CG2 4.22Å; I246-T250 WeakPolarHBondContact O-CB 3.32Å; I246-T250 WeakPolarHBondContact O-CG2 3.5Å; I246-T250 PolarHBondContact O-N 2.95Å; I246-T250 PolarHBondContact O-OG1 2.84Å; L247-T250 WeakPolarHBondContact CA-OG1 3.25Å; L247-T250 PolarHBondContact O-OG1 3.35Å; T250-L253 PolarHBondContact O-N 3.12Å; T250-S254 WeakPolarHBondContact O-CB 3.37Å; T250-S254 PolarHBondContact O-N 3.04Å |
| 251 | L | 82.2 | Confident | 79.4 | Confident | 67 Ų | 67 | 95.5 Ų | 95.5 | 35% | 0.351 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.9 | -49.3 | 174.1 | -173.6 | 158.7 | 0 | 0 | 0 | 110.8 | F233 L247 T248 L253 S254 I255 | F233-L251 HydrophobicContact CE1-CD1 3.87Å; F233-L251 HydrophobicContact CZ-CD1 4.27Å; L247-L251 VanDerWaalsContact O-CB 3.3Å; L247-L251 WeakPolarHBondContact O-CB 3.47Å; L247-L251 PolarHBondContact O-N 3.3Å; T248-L251 PolarHBondContact O-N 2.86Å; L251-L253 PolarHBondContact O-N 3.44Å; L251-S254 PolarHBondContact O-N 3.11Å; L251-S254 PolarHBondContact O-OG 3.31Å; L251-I255 HydrophobicContact CD2-CD1 3.54Å; L251-I255 HydrophobicContact CD2-CG1 4.35Å; L251-I255 WeakPolarHBondContact O-CG1 3.32Å; L251-I255 PolarHBondContact O-N 2.88Å; L251-I255 VanDerWaalsContact O-N 3.09Å |
| 252 | I | 85.3 | Confident | 80.5 | Confident | 93 Ų | 93 | 88 Ų | 88 | 48% | 0.477 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 178.1 | -68.4 | 165.5 | 0 | 0 | 0 | 110.7 | T248 T249 S254 I255 L256 | T248-I252 WeakPolarHBondContact O-CB 3.36Å; T248-I252 WeakPolarHBondContact O-CD1 3.43Å; T248-I252 WeakPolarHBondContact O-CG1 3.43Å; T248-I252 PolarHBondContact O-N 3.33Å; T249-I252 PolarHBondContact O-N 2.93Å; I252-S254 VanDerWaalsContact C-N 3.3Å; I252-S254 PolarHBondContact O-N 3.49Å; I252-I255 PolarHBondContact O-N 2.95Å; I252-L256 HydrophobicContact CG2-CD1 4.08Å; I252-L256 HydrophobicContact CG2-CG 4.41Å; I252-L256 WeakPolarHBondContact O-CG 3.28Å; I252-L256 PolarHBondContact O-N 3.23Å |
| 253 | L | 83.4 | Confident | 81.4 | Confident | 103 Ų | 103 | 86.7 Ų | 86.7 | 54% | 0.539 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.9 | -39 | 176 | -76.8 | 169.6 | 0 | 0 | 0 | 111.6 | T249 T250 L251 I255 L256 V257 | T249-L253 VanDerWaalsContact O-CB 3.28Å; T249-L253 WeakPolarHBondContact O-CB 3.3Å; T249-L253 WeakPolarHBondContact O-CG 3.17Å; T249-L253 PolarHBondContact O-N 3.34Å; T250-L253 PolarHBondContact O-N 3.12Å; L251-L253 PolarHBondContact O-N 3.44Å; L253-I255 VanDerWaalsContact C-N 3.34Å; L253-I255 PolarHBondContact O-N 2.94Å; L253-L256 PolarHBondContact O-N 2.89Å; L253-V257 WeakPolarHBondContact O-CB 3.33Å; L253-V257 VanDerWaalsContact O-CG2 3.25Å; L253-V257 WeakPolarHBondContact O-CG2 3.47Å; L253-V257 PolarHBondContact O-N 3.26Å |
| 254 | S | 86.6 | Confident | 81.7 | Confident | 60 Ų | 60 | 84.9 Ų | 84.9 | 42% | 0.42 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 175.9 | 86.1 | 0 | 0 | 0 | 0 | 111.9 | T250 L251 I252 V257 L258 | T250-S254 WeakPolarHBondContact O-CB 3.37Å; T250-S254 PolarHBondContact O-N 3.04Å; L251-S254 PolarHBondContact O-N 3.11Å; L251-S254 PolarHBondContact O-OG 3.31Å; I252-S254 VanDerWaalsContact C-N 3.3Å; I252-S254 PolarHBondContact O-N 3.49Å; S254-V257 PolarHBondContact O-N 2.74Å; S254-L258 WeakPolarHBondContact O-CB 3.48Å; S254-L258 VanDerWaalsContact O-CG 3.32Å; S254-L258 WeakPolarHBondContact O-CG 3.46Å; S254-L258 PolarHBondContact O-N 3.05Å |
| 255 | I | 91.1 | Very high | 82.1 | Confident | 80 Ų | 80 | 87 Ų | 87 | 41% | 0.41 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.5 | -44 | 178.1 | -65.6 | 173.4 | 0 | 0 | 0 | 110.2 | L251 I252 L253 V257 L258 I259 | L251-I255 HydrophobicContact CD2-CD1 3.54Å; L251-I255 HydrophobicContact CD2-CG1 4.35Å; L251-I255 WeakPolarHBondContact O-CG1 3.32Å; L251-I255 PolarHBondContact O-N 2.88Å; L251-I255 VanDerWaalsContact O-N 3.09Å; I252-I255 PolarHBondContact O-N 2.95Å; L253-I255 VanDerWaalsContact C-N 3.34Å; L253-I255 PolarHBondContact O-N 2.94Å; I255-V257 VanDerWaalsContact C-N 3.32Å; I255-V257 PolarHBondContact O-N 3.37Å; I255-L258 PolarHBondContact O-N 3.13Å; I255-I259 HydrophobicContact CG2-CD1 3.76Å; I255-I259 HydrophobicContact CG2-CG1 4.4Å; I255-I259 VanDerWaalsContact O-CG1 3.28Å; I255-I259 WeakPolarHBondContact O-CG1 3.38Å; I255-I259 PolarHBondContact O-N 2.9Å |
| 256 | L | 86.3 | Confident | 82.1 | Confident | 101 Ų | 101 | 82.3 Ų | 82.3 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 177.2 | -68.7 | 174.9 | 0 | 0 | 0 | 112 | I252 L253 W260 | I252-L256 HydrophobicContact CG2-CD1 4.08Å; I252-L256 HydrophobicContact CG2-CG 4.41Å; I252-L256 WeakPolarHBondContact O-CG 3.28Å; I252-L256 PolarHBondContact O-N 3.23Å; L253-L256 PolarHBondContact O-N 2.89Å; L256-W260 VanDerWaalsContact O-CB 3.3Å; L256-W260 WeakPolarHBondContact O-CB 3.39Å; L256-W260 PolarHBondContact O-N 3.37Å |
| 257 | V | 90.9 | Very high | 82 | Confident | 77 Ų | 77 | 82.7 Ų | 82.7 | 47% | 0.467 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.9 | -41.9 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L253 S254 I255 W260 I261 | L253-V257 WeakPolarHBondContact O-CB 3.33Å; L253-V257 VanDerWaalsContact O-CG2 3.25Å; L253-V257 WeakPolarHBondContact O-CG2 3.47Å; L253-V257 PolarHBondContact O-N 3.26Å; S254-V257 PolarHBondContact O-N 2.74Å; I255-V257 VanDerWaalsContact C-N 3.32Å; I255-V257 PolarHBondContact O-N 3.37Å; V257-W260 PolarHBondContact O-N 2.94Å; V257-I261 HydrophobicContact CG1-CD1 3.8Å; V257-I261 HydrophobicContact CG1-CG1 4.34Å; V257-I261 WeakPolarHBondContact O-CB 3.45Å; V257-I261 VanDerWaalsContact O-CG1 3.28Å; V257-I261 WeakPolarHBondContact O-CG1 3.3Å; V257-I261 PolarHBondContact O-N 2.92Å |
| 258 | L | 84.2 | Confident | 81.6 | Confident | 107 Ų | 107 | 85.6 Ų | 85.6 | 56% | 0.56 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.9 | -43.8 | 174.8 | -74 | 171.8 | 0 | 0 | 0 | 111.8 | S254 I255 I261 C262 | S254-L258 WeakPolarHBondContact O-CB 3.48Å; S254-L258 VanDerWaalsContact O-CG 3.32Å; S254-L258 WeakPolarHBondContact O-CG 3.46Å; S254-L258 PolarHBondContact O-N 3.05Å; I255-L258 PolarHBondContact O-N 3.13Å; L258-I261 PolarHBondContact O-N 3.44Å; L258-C262 WeakPolarHBondContact O-CB 3.18Å; L258-C262 PolarHBondContact O-N 3.12Å; L258-C262 PolarHBondContact O-SG 3.19Å |
| 259 | I | 87.6 | Confident | 80.2 | Confident | 92 Ų | 92 | 86.6 Ų | 86.6 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 175.5 | -67.9 | 167.8 | 0 | 0 | 0 | 110.4 | I255 C262 C263 | I255-I259 HydrophobicContact CG2-CD1 3.76Å; I255-I259 HydrophobicContact CG2-CG1 4.4Å; I255-I259 VanDerWaalsContact O-CG1 3.28Å; I255-I259 WeakPolarHBondContact O-CG1 3.38Å; I255-I259 PolarHBondContact O-N 2.9Å; I259-C262 PolarHBondContact O-N 3.36Å; I259-C263 WeakPolarHBondContact O-CB 3.28Å; I259-C263 PolarHBondContact O-N 2.97Å; I259-C263 PolarHBondContact O-SG 3.28Å; I259-C263 VanDerWaalsContact O-SG 3.33Å |
| 260 | W | 90.1 | Very high | 78.8 | Confident | 182 Ų | 182 | 89.3 Ų | 89.3 | 69% | 0.689 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.8 | -43.1 | 177.5 | -179.5 | 80.5 | 0 | 0 | 0 | 112.1 | L256 V257 C263 A264 | L256-W260 VanDerWaalsContact O-CB 3.3Å; L256-W260 WeakPolarHBondContact O-CB 3.39Å; L256-W260 PolarHBondContact O-N 3.37Å; V257-W260 PolarHBondContact O-N 2.94Å; W260-C263 PolarHBondContact O-N 3.2Å; W260-A264 VanDerWaalsContact O-CB 3.26Å; W260-A264 WeakPolarHBondContact O-CB 3.22Å; W260-A264 PolarHBondContact O-N 2.77Å |
| 261 | I | 86.9 | Confident | 76.8 | Confident | 78 Ų | 78 | 92.6 Ų | 92.6 | 40% | 0.4 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 175.1 | -67.9 | 170.8 | 0 | 0 | 0 | 110.2 | V257 L258 C263 A264 T265 | V257-I261 HydrophobicContact CG1-CD1 3.8Å; V257-I261 HydrophobicContact CG1-CG1 4.34Å; V257-I261 WeakPolarHBondContact O-CB 3.45Å; V257-I261 VanDerWaalsContact O-CG1 3.28Å; V257-I261 WeakPolarHBondContact O-CG1 3.3Å; V257-I261 PolarHBondContact O-N 2.92Å; L258-I261 PolarHBondContact O-N 3.44Å; I261-C263 VanDerWaalsContact C-N 3.35Å; I261-C263 PolarHBondContact O-N 2.89Å; I261-A264 PolarHBondContact O-N 2.79Å; I261-T265 HydrophobicContact CG2-CG2 4.22Å; I261-T265 WeakPolarHBondContact O-CB 3.32Å; I261-T265 VanDerWaalsContact O-CG2 3.3Å; I261-T265 WeakPolarHBondContact O-CG2 3.39Å; I261-T265 PolarHBondContact O-N 3.18Å; I261-T265 PolarHBondContact O-OG1 3.4Å; I261-T265 VanDerWaalsContact O-OG1 3.06Å |
| 262 | C | 79.5 | Confident | 75.2 | Confident | 75 Ų | 75 | 97.6 Ų | 97.6 | 51% | 0.507 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.7 | -40.4 | 175.9 | -73.7 | 0 | 0 | 0 | 0 | 112.5 | L258 I259 T265 V266 | L258-C262 WeakPolarHBondContact O-CB 3.18Å; L258-C262 PolarHBondContact O-N 3.12Å; L258-C262 PolarHBondContact O-SG 3.19Å; I259-C262 PolarHBondContact O-N 3.36Å; C262-T265 WeakPolarHBondContact CA-OG1 3.18Å; C262-T265 PolarHBondContact O-OG1 3.35Å; C262-V266 WeakPolarHBondContact O-CB 3.33Å; C262-V266 WeakPolarHBondContact O-CG2 3.32Å; C262-V266 PolarHBondContact O-N 3.46Å |
| 263 | C | 77.9 | Confident | 73.2 | Confident | 77 Ų | 77 | 103 Ų | 103 | 52% | 0.52 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.2 | -38.1 | 176 | -71.3 | 0 | 0 | 0 | 0 | 111.9 | I259 W260 I261 V266 A267 | I259-C263 WeakPolarHBondContact O-CB 3.28Å; I259-C263 PolarHBondContact O-N 2.97Å; I259-C263 PolarHBondContact O-SG 3.28Å; I259-C263 VanDerWaalsContact O-SG 3.33Å; W260-C263 PolarHBondContact O-N 3.2Å; I261-C263 VanDerWaalsContact C-N 3.35Å; I261-C263 PolarHBondContact O-N 2.89Å; C263-V266 PolarHBondContact O-N 3.49Å; C263-A267 VanDerWaalsContact O-CB 3.31Å; C263-A267 WeakPolarHBondContact O-CB 3.41Å; C263-A267 PolarHBondContact O-N 3.45Å |
| 264 | A | 78.5 | Confident | 71.5 | Confident | 34 Ų | 34 | 103.3 Ų | 103.3 | 28% | 0.281 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.2 | -41.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | W260 I261 A267 T268 | W260-A264 VanDerWaalsContact O-CB 3.26Å; W260-A264 WeakPolarHBondContact O-CB 3.22Å; W260-A264 PolarHBondContact O-N 2.77Å; I261-A264 PolarHBondContact O-N 2.79Å; A264-A267 PolarHBondContact O-N 2.83Å; A264-T268 WeakPolarHBondContact O-CB 3.17Å; A264-T268 WeakPolarHBondContact O-CG2 3.41Å; A264-T268 PolarHBondContact O-N 3.09Å; A264-T268 PolarHBondContact O-OG1 2.95Å |
| 265 | T | 74.3 | Confident | 69.6 | Low | 77 Ų | 77 | 104.8 Ų | 104.8 | 47% | 0.472 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.2 | -36.6 | 176.2 | 54.9 | 0 | 0 | 0 | 0 | 111.8 | I261 C262 T268 A269 | I261-T265 HydrophobicContact CG2-CG2 4.22Å; I261-T265 WeakPolarHBondContact O-CB 3.32Å; I261-T265 VanDerWaalsContact O-CG2 3.3Å; I261-T265 WeakPolarHBondContact O-CG2 3.39Å; I261-T265 PolarHBondContact O-N 3.18Å; I261-T265 PolarHBondContact O-OG1 3.4Å; I261-T265 VanDerWaalsContact O-OG1 3.06Å; C262-T265 WeakPolarHBondContact CA-OG1 3.18Å; C262-T265 PolarHBondContact O-OG1 3.35Å; T265-T268 PolarHBondContact O-N 2.89Å; T265-A269 WeakPolarHBondContact O-CA 3.45Å; T265-A269 WeakPolarHBondContact O-CB 3.12Å; T265-A269 PolarHBondContact O-N 3.19Å |
| 266 | V | 72.1 | Confident | 67.5 | Low | 116 Ų | 116 | 105.4 Ų | 105.4 | 70% | 0.703 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.5 | -38.7 | 173.8 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | C262 C263 T268 | C262-V266 WeakPolarHBondContact O-CB 3.33Å; C262-V266 WeakPolarHBondContact O-CG2 3.32Å; C262-V266 PolarHBondContact O-N 3.46Å; C263-V266 PolarHBondContact O-N 3.49Å; V266-T268 VanDerWaalsContact C-N 3.33Å |
| 267 | A | 71.8 | Confident | 65.8 | Low | 86 Ų | 86 | 108.9 Ų | 108.9 | 71% | 0.711 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -76.1 | -19.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | C263 A264 | C263-A267 VanDerWaalsContact O-CB 3.31Å; C263-A267 WeakPolarHBondContact O-CB 3.41Å; C263-A267 PolarHBondContact O-N 3.45Å; A264-A267 PolarHBondContact O-N 2.83Å |
| 268 | T | 63.5 | Low | 63.5 | Low | 107 Ų | 107 | 112.3 Ų | 112.3 | 66% | 0.656 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -112.1 | -6.3 | 179.9 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | A264 T265 V266 V270 | A264-T268 WeakPolarHBondContact O-CB 3.17Å; A264-T268 WeakPolarHBondContact O-CG2 3.41Å; A264-T268 PolarHBondContact O-N 3.09Å; A264-T268 PolarHBondContact O-OG1 2.95Å; T265-T268 PolarHBondContact O-N 2.89Å; V266-T268 VanDerWaalsContact C-N 3.33Å; T268-V270 PolarHBondContact O-N 3.27Å |
| 269 | A | 47.3 | Very low | 62 | Low | 62 Ų | 62 | 115.4 Ų | 115.4 | 51% | 0.512 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -61.5 | 107.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | T265 D271 | T265-A269 WeakPolarHBondContact O-CA 3.45Å; T265-A269 WeakPolarHBondContact O-CB 3.12Å; T265-A269 PolarHBondContact O-N 3.19Å; A269-D271 PolarHBondContact O-N 3.34Å; A269-D271 VanDerWaalsContact O-N 3.09Å |
| 270 | V | 50.8 | Low | 60.3 | Low | 126 Ų | 126 | 114.9 Ų | 114.9 | 76% | 0.764 | 65% | 0.646 | S | S | * | * | trans | -51.2 | 120.3 | 164.2 | -177.8 | 0 | 0 | 0 | 0 | 105.2 | T268 Q272 | T268-V270 PolarHBondContact O-N 3.27Å; V270-Q272 PolarHBondContact O-N 3.25Å | ||
| 271 | D | 42.5 | Very low | 58.9 | Low | 144 Ų | 144 | 114.3 Ų | 114.3 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | trans | -53.2 | 92.1 | 174.2 | -85.7 | -44.2 | 0 | 0 | 0 | 107.8 | A269 Y273 | A269-D271 PolarHBondContact O-N 3.34Å; A269-D271 VanDerWaalsContact O-N 3.09Å; D271-Y273 PolarHBondContact O-N 2.74Å | ||
| 272 | Q | 47.8 | Very low | 57.3 | Low | 173 Ų | 173 | 121.7 Ų | 121.7 | 81% | 0.808 | 68% | 0.679 | S | S | * | * | trans | -74.7 | 75.3 | 162.9 | -73.2 | -169.9 | -42.1 | 0 | 0 | 104.9 | V270 V274 | V270-Q272 PolarHBondContact O-N 3.25Å; Q272-V274 PolarHBondContact O-N 3.03Å | ||
| 273 | Y | 44.2 | Very low | 56 | Low | 205 Ų | 205 | 119.3 Ų | 119.3 | 80% | 0.804 | 67% | 0.666 | S | S | * | * | trans | -57.6 | 92.3 | 151.5 | -116.4 | -90.8 | 0 | 0 | 0 | 104.9 | D271 P275 | D271-Y273 PolarHBondContact O-N 2.74Å; Y273-P275 VanDerWaalsContact C-CD 3.48Å; Y273-P275 WeakPolarHBondContact O-CD 3.28Å | ||
| 274 | V | 47.1 | Very low | 54.8 | Low | 111 Ų | 111 | 123 Ų | 123 | 67% | 0.673 | 68% | 0.681 | S | S | * | * | trans | -80 | 97.6 | 156.4 | -178.1 | 0 | 0 | 0 | 0 | 102.9 | Q272 A276 | Q272-V274 PolarHBondContact O-N 3.03Å; V274-A276 PolarHBondContact O-N 3.02Å; V274-A276 VanDerWaalsContact O-N 3.13Å | ||
| 275 | P | 47.7 | Very low | 53.8 | Low | 90 Ų | 90 | 128.8 Ų | 128.8 | 58% | 0.584 | 70% | 0.704 | S | S | * | * | trans | -53.3 | 126.8 | 167.8 | 22.7 | -30.4 | 0 | 0 | 0 | 106 | Y273 E277 | Y273-P275 VanDerWaalsContact C-CD 3.48Å; Y273-P275 WeakPolarHBondContact O-CD 3.28Å; P275-E277 PolarHBondContact O-N 3.47Å | ||
| 276 | A | 47.2 | Very low | 52.8 | Low | 93 Ų | 93 | 132.2 Ų | 132.2 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | trans | -48.9 | 111.8 | 178 | 0 | 0 | 0 | 0 | 0 | 107.5 | V274 K278 | V274-A276 PolarHBondContact O-N 3.02Å; V274-A276 VanDerWaalsContact O-N 3.13Å; A276-K278 PolarHBondContact O-N 3.05Å | ||
| 277 | E | 48.9 | Very low | 51.8 | Low | 175 Ų | 175 | 135.3 Ų | 135.3 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | trans | -60.7 | 101.1 | -176 | -172.3 | 172.8 | 168.4 | 0 | 0 | 106.8 | P275 L279 | P275-E277 PolarHBondContact O-N 3.47Å; E277-L279 PolarHBondContact O-N 2.92Å | ||
| 278 | K | 44 | Very low | 51.1 | Low | 149 Ų | 149 | 134.3 Ų | 134.3 | 65% | 0.648 | 71% | 0.707 | S | S | * | * | trans | -63.6 | 113 | 171.4 | -67.3 | -155.3 | 176 | -163.9 | 0 | 105 | D74 A276 S280 | D74-K278 IonicContact OD1-NZ 3.56Å; D74-K278 IonicContact OD2-NZ 3.9Å; D74-K278 PolarHBondContact OD2-NZ 2.73Å; A276-K278 PolarHBondContact O-N 3.05Å; K278-S280 PolarHBondContact O-N 3.43Å | ||
| 279 | L | 53.3 | Low | 50.5 | Low | 172 Ų | 172 | 136.9 Ų | 136.9 | 90% | 0.901 | 71% | 0.709 | S | S | * | * | trans | -61.6 | 77.4 | 163.6 | -85.1 | 134 | 0 | 0 | 0 | 108.1 | E277 I281 | E277-L279 PolarHBondContact O-N 2.92Å; L279-I281 PolarHBondContact O-N 3.02Å | ||
| 280 | S | 50.7 | Low | 50.7 | Low | 81 Ų | 81 | 138.8 Ų | 138.8 | 57% | 0.566 | 71% | 0.711 | S | S | * | * | trans | -82.9 | 103 | 171.3 | 61.9 | 0 | 0 | 0 | 0 | 107.1 | K278 Y282 | K278-S280 PolarHBondContact O-N 3.43Å; S280-Y282 PolarHBondContact O-N 2.98Å | ||
| 281 | I | 61.4 | Low | 50.6 | Low | 169 Ų | 169 | 140.2 Ų | 140.2 | 87% | 0.867 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -0.6 | 177.4 | -90.1 | 170.1 | 0 | 0 | 0 | 113.2 | L279 | L279-I281 PolarHBondContact O-N 3.02Š|
| 282 | Y | 53 | Low | 50.8 | Low | 234 Ų | 234 | 142.4 Ų | 142.4 | 92% | 0.918 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.8 | 61.8 | 176.5 | -144 | -94.5 | 0 | 0 | 0 | 112.1 | S280 | S280-Y282 PolarHBondContact O-N 2.98Š|
| 283 | G | 52.8 | Low | 50.9 | Low | 24 Ų | 24 | 140.9 Ų | 140.9 | 25% | 0.247 | 71% | 0.708 | C | S | . | * | trans | -134.5 | 7.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | M285 E286 | G283-M285 PolarHBondContact O-N 3.3Å; G283-M285 VanDerWaalsContact O-N 3.08Å; G283-E286 PolarHBondContact O-N 3.3Å | ||
| 284 | D | 52.4 | Low | 50.8 | Low | 154 Ų | 154 | 137.6 Ų | 137.6 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -9.7 | -168.1 | -162.7 | 29.2 | 0 | 0 | 0 | 114.9 | ||
| 285 | M | 56.4 | Low | 50.5 | Low | 156 Ų | 156 | 138 Ų | 138 | 77% | 0.768 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -12.8 | -177 | -75.9 | -59.1 | -41.9 | 0 | 0 | 115.1 | G283 | G283-M285 PolarHBondContact O-N 3.3Å; G283-M285 VanDerWaalsContact O-N 3.08Å |
| 286 | E | 53.7 | Low | 50.5 | Low | 150 Ų | 150 | 139.6 Ų | 139.6 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -29.3 | -177.7 | -71.8 | -179.5 | 158.4 | 0 | 0 | 112.3 | G283 A288 K289 D290 | G283-E286 PolarHBondContact O-N 3.3Å; E286-A288 VanDerWaalsContact C-N 3.33Å; E286-A288 PolarHBondContact O-N 2.91Å; E286-K289 PolarHBondContact O-N 3.3Å; E286-K289 VanDerWaalsContact O-N 3.14Å; E286-D290 PolarHBondContact O-N 2.85Å |
| 287 | Y | 51.7 | Low | 50 | Low | 180 Ų | 180 | 145.8 Ų | 145.8 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -64 | -34.8 | 179.2 | -129.2 | -90.6 | 0 | 0 | 0 | 113.5 | K289 Q291 | Y287-K289 PolarHBondContact O-N 3.22Å; Y287-Q291 PolarHBondContact O-N 3.42Å |
| 288 | A | 57.3 | Low | 49.8 | Very low | 66 Ų | 66 | 142.5 Ų | 142.5 | 55% | 0.545 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -69.9 | -20.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E286 | E286-A288 VanDerWaalsContact C-N 3.33Å; E286-A288 PolarHBondContact O-N 2.91Å |
| 289 | K | 51.1 | Low | 50 | Low | 160 Ų | 160 | 140.6 Ų | 140.6 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -88.5 | -35.7 | -177.9 | -152.8 | 175.8 | -174.5 | -178.8 | 0 | 111.6 | E286 Y287 | E286-K289 PolarHBondContact O-N 3.3Å; E286-K289 VanDerWaalsContact O-N 3.14Å; Y287-K289 PolarHBondContact O-N 3.22Å |
| 290 | D | 51.5 | Low | 49.9 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 55% | 0.545 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -78.4 | -29.5 | 178.9 | -69.8 | -18.8 | 0 | 0 | 0 | 112.6 | E286 K292 L293 | E286-D290 PolarHBondContact O-N 2.85Å; D290-K292 PolarHBondContact O-N 3.11Å; D290-K292 VanDerWaalsContact O-N 3.13Å; D290-L293 PolarHBondContact O-N 3.38Å |
| 291 | Q | 48.3 | Very low | 49.7 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -15.5 | 175.4 | -160.2 | 163.1 | 23.4 | 0 | 0 | 113.6 | Y287 | Y287-Q291 PolarHBondContact O-N 3.42Š|
| 292 | K | 46.7 | Very low | 48.8 | Very low | 190 Ų | 190 | 138 Ų | 138 | 83% | 0.826 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -8.7 | 178.1 | -123.2 | 176.4 | -175 | 176.4 | 0 | 114.2 | D290 | D290-K292 PolarHBondContact O-N 3.11Å; D290-K292 VanDerWaalsContact O-N 3.13Å |
| 293 | L | 49.8 | Very low | 48.3 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | -6.3 | -171.5 | -80.5 | 165.4 | 0 | 0 | 0 | 115.3 | D290 | D290-L293 PolarHBondContact O-N 3.38Š|
| 294 | L | 42.5 | Very low | 48.1 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 71% | 0.707 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -106.5 | 101 | 175.7 | -75.6 | 124.5 | 0 | 0 | 0 | 111.5 | ||
| 295 | T | 40 | Very low | 47.6 | Very low | 120 Ų | 120 | 137 Ų | 137 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | trans | 23 | 143.1 | 148.2 | 47.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 296 | P | 48.2 | Very low | 46.9 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 134 | -160.9 | 31.7 | -35.1 | 0 | 0 | 0 | 113.3 | ||
| 297 | Y | 36.4 | Very low | 46.2 | Very low | 223 Ų | 223 | 134.1 Ų | 134.1 | 88% | 0.875 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 138.3 | 166.8 | -84.6 | -93.9 | 0 | 0 | 0 | 111 | A299 | Y297-A299 PolarHBondContact O-N 3.05Š|
| 298 | P | 44.9 | Very low | 45.9 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 69% | 0.688 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 128.8 | 171.4 | 27.1 | -31.1 | 0 | 0 | 0 | 110.4 | S300 | P298-S300 PolarHBondContact O-N 2.9Š|
| 299 | A | 48.3 | Very low | 44.9 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -75.4 | 54.2 | -171 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y297 | Y297-A299 PolarHBondContact O-N 3.05Š|
| 300 | S | 51.8 | Low | 44.2 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -122.1 | 9.9 | -174.7 | 62.6 | 0 | 0 | 0 | 0 | 116.9 | P298 | P298-S300 PolarHBondContact O-N 2.9Š|
| 301 | S | 46.3 | Very low | 44 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -140.1 | 5.3 | 168.3 | 74 | 0 | 0 | 0 | 0 | 116 | V303 | S301-V303 PolarHBondContact O-N 3.22Š|
| 302 | L | 41.1 | Very low | 43.9 | Very low | 140 Ų | 140 | 139 Ų | 139 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -94.9 | 93.1 | 176.1 | -127.1 | 154.1 | 0 | 0 | 0 | 109.2 | I304 | L302-I304 VanDerWaalsContact C-N 3.28Å; L302-I304 HydrophobicContact CB-CG1 4.46Å; L302-I304 HydrophobicContact CD2-CD1 4Å; L302-I304 HydrophobicContact CD2-CG1 3.33Å; L302-I304 HydrophobicContact CG-CG1 4.47Å; L302-I304 PolarHBondContact O-N 2.89Å | ||
| 303 | V | 43.6 | Very low | 43.8 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -74.4 | 89.7 | 165 | 178.9 | 0 | 0 | 0 | 0 | 107.1 | S301 I305 | S301-V303 PolarHBondContact O-N 3.22Å; V303-I305 HydrophobicContact CG1-CG1 4.36Å; V303-I305 PolarHBondContact O-N 3.14Å | ||
| 304 | I | 47.6 | Very low | 43.6 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 59% | 0.59 | 79% | 0.794 | S | S | * | * | trans | -80.9 | 111.6 | 166.8 | -54.3 | 173.7 | 0 | 0 | 0 | 106.2 | L302 T306 | L302-I304 VanDerWaalsContact C-N 3.28Å; L302-I304 HydrophobicContact CB-CG1 4.46Å; L302-I304 HydrophobicContact CD2-CD1 4Å; L302-I304 HydrophobicContact CD2-CG1 3.33Å; L302-I304 HydrophobicContact CG-CG1 4.47Å; L302-I304 PolarHBondContact O-N 2.89Å; I304-T306 HydrophobicContact CB-CG2 4.45Å; I304-T306 HydrophobicContact CG2-CG2 3.59Å; I304-T306 PolarHBondContact O-N 3.29Å | ||
| 305 | I | 42.2 | Very low | 44.7 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | -74.5 | 87.4 | 167.1 | -56.8 | 173.6 | 0 | 0 | 0 | 106.4 | V303 T307 | V303-I305 HydrophobicContact CG1-CG1 4.36Å; V303-I305 PolarHBondContact O-N 3.14Å; I305-T307 PolarHBondContact O-N 3.47Å | ||
| 306 | T | 42.5 | Very low | 45.6 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 71% | 0.712 | 79% | 0.794 | S | S | * | * | trans | -81.6 | 102.9 | 166.4 | 48.7 | 0 | 0 | 0 | 0 | 108 | I304 S308 | I304-T306 HydrophobicContact CB-CG2 4.45Å; I304-T306 HydrophobicContact CG2-CG2 3.59Å; I304-T306 PolarHBondContact O-N 3.29Å; T306-S308 PolarHBondContact O-N 3.41Å | ||
| 307 | T | 37.6 | Very low | 46 | Very low | 129 Ų | 129 | 136 Ų | 136 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -70.5 | 110.8 | 165.2 | -29.6 | 0 | 0 | 0 | 0 | 106.5 | I305 G309 | I305-T307 PolarHBondContact O-N 3.47Å; T307-G309 VanDerWaalsContact C-N 3.32Å; T307-G309 PolarHBondContact O-N 3.1Å | ||
| 308 | S | 45.7 | Very low | 47 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | trans | -69.2 | 91.1 | 175.4 | 56.7 | 0 | 0 | 0 | 0 | 109.2 | T306 | T306-S308 PolarHBondContact O-N 3.41Š| ||
| 309 | G | 37 | Very low | 47.9 | Very low | 64 Ų | 64 | 131.2 Ų | 131.2 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | trans | -131 | 128 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | T307 | T307-G309 VanDerWaalsContact C-N 3.32Å; T307-G309 PolarHBondContact O-N 3.1Å | ||
| 310 | Q | 36.6 | Very low | 48.1 | Very low | 192 Ų | 192 | 135.7 Ų | 135.7 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -50.8 | 145.6 | -177.1 | -69.8 | 171.8 | -79.2 | 0 | 0 | 112.2 | E312 | Q310-E312 PolarHBondContact O-N 3.19Š| ||
| 311 | E | 47.9 | Very low | 48.7 | Very low | 201 Ų | 201 | 136.4 Ų | 136.4 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | trans | -54.6 | 96.4 | 169.1 | -63.6 | 175.2 | 161.8 | 0 | 0 | 110.1 | ||||
| 312 | E | 44.3 | Very low | 48.8 | Very low | 181 Ų | 181 | 137.1 Ų | 137.1 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -114.9 | 121.2 | 157 | -78 | -167.8 | 161.4 | 0 | 0 | 107.9 | Q310 A314 | Q310-E312 PolarHBondContact O-N 3.19Å; E312-A314 PolarHBondContact O-N 3.28Å | ||
| 313 | E | 46.4 | Very low | 49.7 | Very low | 196 Ų | 196 | 137.5 Ų | 137.5 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 123.7 | 178.6 | -67.6 | 176.9 | 146.8 | 0 | 0 | 110.5 | G315 | E313-G315 PolarHBondContact O-N 3.46Å; E313-G315 VanDerWaalsContact O-N 3.14Å |
| 314 | A | 44.5 | Very low | 50.2 | Low | 103 Ų | 103 | 138.5 Ų | 138.5 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 118.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | E312 | E312-A314 PolarHBondContact O-N 3.28Š|
| 315 | G | 65 | Low | 50.7 | Low | 57 Ų | 57 | 142 Ų | 142 | 59% | 0.588 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59 | 157.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E313 L317 | E313-G315 PolarHBondContact O-N 3.46Å; E313-G315 VanDerWaalsContact O-N 3.14Å; G315-L317 PolarHBondContact O-N 2.92Å |
| 316 | P | 60.4 | Low | 51 | Low | 131 Ų | 131 | 140 Ų | 140 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 139 | -171.4 | 23.8 | -32.9 | 0 | 0 | 0 | 111.9 | ||
| 317 | L | 55.7 | Low | 51.3 | Low | 161 Ų | 161 | 142 Ų | 142 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 139.5 | 178.6 | -77.3 | 91.3 | 0 | 0 | 0 | 110.8 | G315 S319 | G315-L317 PolarHBondContact O-N 2.92Å; L317-S319 PolarHBondContact O-N 2.96Å |
| 318 | P | 57.6 | Low | 51.7 | Low | 123 Ų | 123 | 147.1 Ų | 147.1 | 80% | 0.799 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 139.3 | 176.4 | 24.6 | -32.4 | 0 | 0 | 0 | 110.4 | K320 | P318-K320 PolarHBondContact O-N 3.15Š|
| 319 | S | 63.3 | Low | 52 | Low | 105 Ų | 105 | 148.1 Ų | 148.1 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 131.3 | -179.9 | 58 | 0 | 0 | 0 | 0 | 110.7 | L317 V321 | L317-S319 PolarHBondContact O-N 2.96Å; S319-V321 PolarHBondContact O-N 3.4Å; S319-V321 VanDerWaalsContact O-N 3.11Å |
| 320 | K | 52.3 | Low | 52.8 | Low | 204 Ų | 204 | 152.5 Ų | 152.5 | 89% | 0.887 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 117.8 | 176.4 | -72.9 | -170.1 | 176.7 | -175.7 | 0 | 110.4 | P318 | P318-K320 PolarHBondContact O-N 3.15Š|
| 321 | V | 64.8 | Low | 53.7 | Low | 126 Ų | 126 | 150.3 Ų | 150.3 | 76% | 0.764 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 123.3 | 167.8 | -176.9 | 0 | 0 | 0 | 0 | 107.2 | S319 L323 | S319-V321 PolarHBondContact O-N 3.4Å; S319-V321 VanDerWaalsContact O-N 3.11Å; V321-L323 PolarHBondContact O-N 2.87Å |
| 322 | N | 48.1 | Very low | 54 | Low | 131 Ų | 131 | 147.3 Ų | 147.3 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 122 | 172.7 | -81.9 | -73.8 | 0 | 0 | 0 | 109 | D324 | N322-D324 PolarHBondContact O-N 3.04Š|
| 323 | L | 61 | Low | 54.7 | Low | 149 Ų | 149 | 145.2 Ų | 145.2 | 78% | 0.78 | 82% | 0.824 | S | S | * | * | G | 310 helix | trans | -73.4 | -3.1 | 179.2 | -87 | 96.8 | 0 | 0 | 0 | 113.9 | V321 Q325 | V321-L323 PolarHBondContact O-N 2.87Å; L323-Q325 PolarHBondContact O-N 3.37Å; L323-Q325 VanDerWaalsContact O-N 3.13Å |
| 324 | D | 54.2 | Low | 55.2 | Low | 152 Ų | 152 | 141.8 Ų | 141.8 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | G | 310 helix | trans | -80.9 | 12.4 | -177 | -57.8 | -35.3 | 0 | 0 | 0 | 113.9 | N322 | N322-D324 PolarHBondContact O-N 3.04Š|
| 325 | Q | 58.4 | Low | 56 | Low | 188 Ų | 188 | 144.6 Ų | 144.6 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | G | 310 helix | trans | -135.3 | 26.9 | -178.8 | -115.3 | 176.4 | 17.6 | 0 | 0 | 114.9 | L323 | L323-Q325 PolarHBondContact O-N 3.37Å; L323-Q325 VanDerWaalsContact O-N 3.13Å |
| 326 | S | 48 | Very low | 55.3 | Low | 102 Ų | 102 | 151.3 Ų | 151.3 | 71% | 0.713 | 83% | 0.833 | S | S | * | * | trans | -94.4 | 98.1 | 161.3 | 57.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 327 | N | 48.2 | Very low | 54.8 | Low | 158 Ų | 158 | 153 Ų | 153 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | trans | -88.6 | 106.5 | 159 | -159.3 | -10.7 | 0 | 0 | 0 | 106.6 | ||||
| 328 | I | 46.5 | Very low | 54.8 | Low | 237 Ų | 237 | 152.3 Ų | 152.3 | 100% | 1.215 | 83% | 0.83 | S | S | * | * | trans | -155.3 | 0 | 156.2 | -100.5 | 150 | 0 | 0 | 0 | 107.8 |
Retrieved 328 of 328 residues in 126.6 ms
(Link to these results)