| 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 | 36.3 | Very low | 42.1 | Very low | 237 Ų | 237 | 162.1 Ų | 162.1 | 100% | 1.167 | 76% | 0.76 | S | S | * | * | 0 | 87.8 | 0 | -168.4 | 176.6 | 175.2 | 0 | 0 | 107.8 | |||||
| 2 | C | 28.1 | Very low | 43.6 | Very low | 119 Ų | 119 | 159.4 Ų | 159.4 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -126.3 | 26.4 | -159 | -62.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 3 | I | 35.6 | Very low | 45.1 | Very low | 162 Ų | 162 | 154.8 Ų | 154.8 | 83% | 0.831 | 73% | 0.726 | S | S | * | * | trans | -92.9 | -6.9 | -169.9 | -48.4 | -179.7 | 0 | 0 | 0 | 113 | ||||
| 4 | L | 34 | Very low | 46.1 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 80% | 0.801 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -91.1 | -10.2 | -173.6 | -72.8 | 166.2 | 0 | 0 | 0 | 115.5 | ||
| 5 | F | 32.5 | Very low | 47.6 | Very low | 182 Ų | 182 | 148.3 Ų | 148.3 | 80% | 0.798 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -23.2 | -168.3 | -144.5 | -100.9 | 0 | 0 | 0 | 115 | ||
| 6 | R | 40.3 | Very low | 48.5 | Very low | 239 Ų | 239 | 147.9 Ų | 147.9 | 90% | 0.902 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -20.9 | -178.9 | -93 | -167.9 | 179.4 | -166.7 | 1.4 | 115.3 | ||
| 7 | R | 42.8 | Very low | 49.6 | Very low | 205 Ų | 205 | 142.9 Ų | 142.9 | 77% | 0.774 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -77.5 | -21.9 | 178.8 | -81.2 | -173.3 | 170.9 | 174.3 | -2.4 | 113.5 | L11 | R7-L11 WeakPolarHBondContact O-CD1 3.31Å |
| 8 | S | 53.6 | Low | 50.5 | Low | 57 Ų | 57 | 141.3 Ų | 141.3 | 40% | 0.399 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -69.6 | -37.3 | -174 | -171.7 | 0 | 0 | 0 | 0 | 113.6 | R10 L11 K12 | S8-R10 PolarHBondContact O-N 2.93Å; S8-L11 PolarHBondContact O-N 3.26Å; S8-K12 WeakPolarHBondContact O-CG 3.22Å; S8-K12 PolarHBondContact O-N 3.07Å; S8-K12 VanDerWaalsContact O-N 3.14Å |
| 9 | Q | 50.9 | Low | 51.5 | Low | 120 Ų | 120 | 143.7 Ų | 143.7 | 56% | 0.561 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -65.7 | -41.4 | -178 | -69.5 | -83.5 | -4.8 | 0 | 0 | 112.2 | K12 I13 | Q9-K12 PolarHBondContact O-N 2.98Å; Q9-I13 WeakPolarHBondContact O-CG1 3.3Å; Q9-I13 PolarHBondContact O-N 3.47Å; Q9-I13 VanDerWaalsContact O-N 3.15Å |
| 10 | R | 52.4 | Low | 52.1 | Low | 199 Ų | 199 | 142.1 Ų | 142.1 | 75% | 0.751 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -66.8 | -39.4 | 179.4 | -81.9 | -173 | 165.7 | -179 | -4.1 | 112.8 | S8 I13 L14 | S8-R10 PolarHBondContact O-N 2.93Å; R10-I13 PolarHBondContact O-N 3.35Å; R10-L14 PolarHBondContact O-N 3.26Å; R10-L14 VanDerWaalsContact O-N 3.12Å |
| 11 | L | 56.1 | Low | 52.5 | Low | 110 Ų | 110 | 137.4 Ų | 137.4 | 58% | 0.576 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.6 | -39.1 | 174.8 | -94 | 96.1 | 0 | 0 | 0 | 111.9 | R7 S8 I13 L14 L15 | R7-L11 WeakPolarHBondContact O-CD1 3.31Å; S8-L11 PolarHBondContact O-N 3.26Å; L11-I13 VanDerWaalsContact C-N 3.32Å; L11-I13 PolarHBondContact O-N 2.95Å; L11-L14 PolarHBondContact O-N 3.22Å; L11-L15 WeakPolarHBondContact O-CB 3.14Å; L11-L15 PolarHBondContact O-N 3.19Å |
| 12 | K | 60.3 | Low | 53.5 | Low | 130 Ų | 130 | 129.2 Ų | 129.2 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.2 | -41.1 | 177.2 | -72.9 | 177.5 | -176.7 | -172.5 | 0 | 112 | S8 Q9 R16 | S8-K12 WeakPolarHBondContact O-CG 3.22Å; S8-K12 PolarHBondContact O-N 3.07Å; S8-K12 VanDerWaalsContact O-N 3.14Å; Q9-K12 PolarHBondContact O-N 2.98Å; K12-R16 WeakPolarHBondContact O-CB 3.26Å; K12-R16 PolarHBondContact O-N 3.05Å |
| 13 | I | 63.8 | Low | 54.9 | Low | 99 Ų | 99 | 132.3 Ų | 132.3 | 51% | 0.508 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.8 | -47.7 | 176.1 | -67.3 | 164.7 | 0 | 0 | 0 | 110.7 | Q9 R10 L11 L15 R16 I17 | Q9-I13 WeakPolarHBondContact O-CG1 3.3Å; Q9-I13 PolarHBondContact O-N 3.47Å; Q9-I13 VanDerWaalsContact O-N 3.15Å; R10-I13 PolarHBondContact O-N 3.35Å; L11-I13 VanDerWaalsContact C-N 3.32Å; L11-I13 PolarHBondContact O-N 2.95Å; I13-L15 PolarHBondContact O-N 3.13Å; I13-R16 PolarHBondContact O-N 3.27Å; I13-R16 VanDerWaalsContact O-N 3.13Å; I13-I17 HydrophobicContact CG2-CD1 3.78Å; I13-I17 HydrophobicContact CG2-CG1 4.44Å; I13-I17 VanDerWaalsContact O-CG1 3.3Å; I13-I17 WeakPolarHBondContact O-CG1 3.4Å; I13-I17 PolarHBondContact O-N 3.34Å |
| 14 | L | 58.6 | Low | 55.8 | Low | 100 Ų | 100 | 133 Ų | 133 | 52% | 0.524 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.2 | -43.6 | 177.7 | -110.5 | 132.2 | 0 | 0 | 0 | 112.5 | R10 L11 R16 I17 L18 | R10-L14 PolarHBondContact O-N 3.26Å; R10-L14 VanDerWaalsContact O-N 3.12Å; L11-L14 PolarHBondContact O-N 3.22Å; L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 3.1Å; L14-I17 PolarHBondContact O-N 3.14Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 PolarHBondContact O-N 2.67Å |
| 15 | L | 68 | Low | 56.5 | Low | 112 Ų | 112 | 129.4 Ų | 129.4 | 59% | 0.586 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.9 | -36.2 | 173.7 | -98.9 | 135.4 | 0 | 0 | 0 | 112.1 | L11 I13 K19 | L11-L15 WeakPolarHBondContact O-CB 3.14Å; L11-L15 PolarHBondContact O-N 3.19Å; I13-L15 PolarHBondContact O-N 3.13Å; L15-K19 WeakPolarHBondContact O-CB 3.22Å; L15-K19 PolarHBondContact O-N 3.28Å |
| 16 | R | 63.2 | Low | 57.2 | Low | 142 Ų | 142 | 124.5 Ų | 124.5 | 54% | 0.536 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.8 | -41 | 177.2 | -156 | 169.9 | -171.6 | 173.8 | 3.1 | 111.4 | K12 I13 L14 K19 L20 | K12-R16 WeakPolarHBondContact O-CB 3.26Å; K12-R16 PolarHBondContact O-N 3.05Å; I13-R16 PolarHBondContact O-N 3.27Å; I13-R16 VanDerWaalsContact O-N 3.13Å; L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 3.1Å; R16-K19 PolarHBondContact O-N 3.15Å; R16-L20 HydrophobicContact CG-CD1 4.05Å; R16-L20 VanDerWaalsContact O-CB 3.3Å; R16-L20 WeakPolarHBondContact O-CB 3.46Å; R16-L20 WeakPolarHBondContact O-CD1 3.35Å; R16-L20 WeakPolarHBondContact O-CG 3.45Å; R16-L20 PolarHBondContact O-N 3.23Å |
| 17 | I | 66.2 | Low | 57.6 | Low | 63 Ų | 63 | 117.6 Ų | 117.6 | 32% | 0.323 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62 | -45.1 | 174.5 | -67 | 166.3 | 0 | 0 | 0 | 110.7 | I13 L14 G21 L22 Y23 | I13-I17 HydrophobicContact CG2-CD1 3.78Å; I13-I17 HydrophobicContact CG2-CG1 4.44Å; I13-I17 VanDerWaalsContact O-CG1 3.3Å; I13-I17 WeakPolarHBondContact O-CG1 3.4Å; I13-I17 PolarHBondContact O-N 3.34Å; L14-I17 PolarHBondContact O-N 3.14Å; I17-G21 PolarHBondContact O-N 2.93Å; I17-L22 HydrophobicContact CG2-CB 4.09Å; I17-L22 PolarHBondContact O-N 3.45Å; I17-L22 VanDerWaalsContact O-N 3.12Å; I17-Y23 HydrophobicContact CG2-CD2 4.25Å |
| 18 | L | 65.8 | Low | 57.6 | Low | 115 Ų | 115 | 113.6 Ų | 113.6 | 60% | 0.602 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.6 | -46.8 | 175.1 | -96 | 150.4 | 0 | 0 | 0 | 112.2 | L14 L20 G21 | L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 PolarHBondContact O-N 2.67Å; L18-L20 VanDerWaalsContact C-N 3.27Å; L18-L20 PolarHBondContact O-N 3.17Å; L18-G21 PolarHBondContact O-N 2.67Å; L18-G21 VanDerWaalsContact O-N 3.15Å |
| 19 | K | 70.1 | Confident | 57.2 | Low | 187 Ų | 187 | 118.8 Ų | 118.8 | 81% | 0.813 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.1 | -28.9 | -178.7 | -169.8 | 173.9 | -175.5 | 179.6 | 0 | 112.9 | L15 R16 G21 | L15-K19 WeakPolarHBondContact O-CB 3.22Å; L15-K19 PolarHBondContact O-N 3.28Å; R16-K19 PolarHBondContact O-N 3.15Å; K19-G21 VanDerWaalsContact C-N 3.34Å |
| 20 | L | 64 | Low | 56.8 | Low | 110 Ų | 110 | 115.7 Ų | 115.7 | 58% | 0.576 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 1.5 | 177.2 | -66.8 | 172 | 0 | 0 | 0 | 113.3 | R16 L18 L22 | R16-L20 HydrophobicContact CG-CD1 4.05Å; R16-L20 VanDerWaalsContact O-CB 3.3Å; R16-L20 WeakPolarHBondContact O-CB 3.46Å; R16-L20 WeakPolarHBondContact O-CD1 3.35Å; R16-L20 WeakPolarHBondContact O-CG 3.45Å; R16-L20 PolarHBondContact O-N 3.23Å; L18-L20 VanDerWaalsContact C-N 3.27Å; L18-L20 PolarHBondContact O-N 3.17Å; L20-L22 HydrophobicContact CB-CD1 3.72Å; L20-L22 HydrophobicContact CB-CG 3.69Å; L20-L22 HydrophobicContact CD1-CD1 3.87Å; L20-L22 HydrophobicContact CG-CD1 4.47Å; L20-L22 PolarHBondContact O-N 3.5Å |
| 21 | G | 59.5 | Low | 56.4 | Low | 45 Ų | 45 | 115.1 Ų | 115.1 | 46% | 0.464 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 66.5 | 18 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I17 L18 K19 Y23 | I17-G21 PolarHBondContact O-N 2.93Å; L18-G21 PolarHBondContact O-N 2.67Å; L18-G21 VanDerWaalsContact O-N 3.15Å; K19-G21 VanDerWaalsContact C-N 3.34Å; G21-Y23 PolarHBondContact O-N 2.85Å |
| 22 | L | 58.7 | Low | 55.9 | Low | 64 Ų | 64 | 114.8 Ų | 114.8 | 34% | 0.335 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.5 | -3.8 | -172.6 | -64.5 | 172.3 | 0 | 0 | 0 | 113.4 | I17 L20 L30 | I17-L22 HydrophobicContact CG2-CB 4.09Å; I17-L22 PolarHBondContact O-N 3.45Å; I17-L22 VanDerWaalsContact O-N 3.12Å; L20-L22 HydrophobicContact CB-CD1 3.72Å; L20-L22 HydrophobicContact CB-CG 3.69Å; L20-L22 HydrophobicContact CD1-CD1 3.87Å; L20-L22 HydrophobicContact CG-CD1 4.47Å; L20-L22 PolarHBondContact O-N 3.5Å; L22-L30 HydrophobicContact CD2-CD1 4.11Å; L22-L30 HydrophobicContact CD2-CD2 3.86Å |
| 23 | Y | 56.1 | Low | 55.1 | Low | 184 Ų | 184 | 110.9 Ų | 110.9 | 72% | 0.722 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -23.8 | -179.1 | -148.5 | -93.8 | 0 | 0 | 0 | 113 | I17 G21 | I17-Y23 HydrophobicContact CG2-CD2 4.25Å; G21-Y23 PolarHBondContact O-N 2.85Å |
| 24 | E | 55.6 | Low | 54.3 | Low | 177 Ų | 177 | 111.1 Ų | 111.1 | 83% | 0.827 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -93 | -6 | -177.6 | -77 | -88 | 145.1 | 0 | 0 | 113 | ||
| 25 | Q | 47.9 | Very low | 53.8 | Low | 77 Ų | 77 | 112.3 Ų | 112.3 | 36% | 0.36 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -105.5 | 117.8 | -179.7 | -72.6 | -168.9 | -14.7 | 0 | 0 | 110.6 | S27 | Q25-S27 PolarHBondContact O-N 2.98Š|
| 26 | P | 47.4 | Very low | 52.9 | Low | 80 Ų | 80 | 113.7 Ų | 113.7 | 52% | 0.519 | 56% | 0.555 | S | S | . | * | trans | -56.9 | 136.4 | 167.1 | 24 | -30.8 | 0 | 0 | 0 | 107.4 | N28 R29 | P26-N28 PolarHBondContact O-N 3.42Å; P26-R29 PolarHBondContact O-N 3.24Å | ||
| 27 | S | 48.8 | Very low | 52.1 | Low | 94 Ų | 94 | 111.8 Ų | 111.8 | 66% | 0.657 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -49.2 | -19.3 | -177 | -36 | 0 | 0 | 0 | 0 | 113.9 | Q25 | Q25-S27 PolarHBondContact O-N 2.98Å |
| 28 | N | 43.4 | Very low | 51.1 | Low | 120 Ų | 120 | 113.2 Ų | 113.2 | 64% | 0.642 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.4 | -26.1 | 174.7 | -64.2 | -18.9 | 0 | 0 | 0 | 114.5 | P26 | P26-N28 PolarHBondContact O-N 3.42Å |
| 29 | R | 44.3 | Very low | 50.3 | Low | 166 Ų | 166 | 116 Ų | 116 | 63% | 0.626 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -78.8 | -34.6 | 175.6 | -97.5 | -169.2 | 174.7 | 179.6 | -1.2 | 112.9 | P26 R31 L32 S33 | P26-R29 PolarHBondContact O-N 3.24Å; R29-R31 PolarHBondContact O-N 3.19Å; R29-L32 PolarHBondContact O-N 2.79Å; R29-S33 PolarHBondContact O-N 3.17Å; R29-S33 VanDerWaalsContact O-N 3.12Å; R29-S33 PolarHBondContact O-OG 3.16Å |
| 30 | L | 42.9 | Very low | 49.1 | Very low | 56 Ų | 56 | 114 Ų | 114 | 29% | 0.293 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.2 | -32.5 | 175 | -69.5 | 169.7 | 0 | 0 | 0 | 111.6 | L22 L32 S33 L34 | L22-L30 HydrophobicContact CD2-CD1 4.11Å; L22-L30 HydrophobicContact CD2-CD2 3.86Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 2.82Å; L30-S33 PolarHBondContact O-OG 2.95Å; L30-L34 VanDerWaalsContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CD1 3.22Å; L30-L34 WeakPolarHBondContact O-CG 3.33Å; L30-L34 PolarHBondContact O-N 2.72Å |
| 31 | R | 44.2 | Very low | 48.3 | Very low | 186 Ų | 186 | 114 Ų | 114 | 70% | 0.702 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.1 | -36.9 | 172.6 | -94.1 | -177 | 160.9 | 175.5 | -5.6 | 113.4 | R29 Q35 | R29-R31 PolarHBondContact O-N 3.19Å; R31-Q35 PolarHBondContact O-N 3.02Å; R31-Q35 VanDerWaalsContact O-N 3.14Å |
| 32 | L | 44.9 | Very low | 47.5 | Very low | 104 Ų | 104 | 114.2 Ų | 114.2 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -78.2 | -37.2 | -178 | -71.9 | 166.5 | 0 | 0 | 0 | 112.3 | R29 L30 Q36 | R29-L32 PolarHBondContact O-N 2.79Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 2.82Å; L32-Q36 WeakPolarHBondContact O-CG 3.11Å; L32-Q36 PolarHBondContact O-N 3.12Å |
| 33 | S | 44.1 | Very low | 47 | Very low | 48 Ų | 48 | 116.6 Ų | 116.6 | 34% | 0.336 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -71.7 | -36.8 | 174.6 | 54.1 | 0 | 0 | 0 | 0 | 112 | R29 L30 Q36 D37 | R29-S33 PolarHBondContact O-N 3.17Å; R29-S33 VanDerWaalsContact O-N 3.12Å; R29-S33 PolarHBondContact O-OG 3.16Å; L30-S33 PolarHBondContact O-OG 2.95Å; S33-Q36 PolarHBondContact O-N 3.49Å; S33-D37 PolarHBondContact O-N 3.03Å; S33-D37 VanDerWaalsContact O-N 3.1Å |
| 34 | L | 47.6 | Very low | 46.9 | Very low | 104 Ų | 104 | 109.9 Ų | 109.9 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.6 | -41 | 174 | -72.4 | 169.5 | 0 | 0 | 0 | 111.8 | L30 Q36 D37 E38 | L30-L34 VanDerWaalsContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CD1 3.22Å; L30-L34 WeakPolarHBondContact O-CG 3.33Å; L30-L34 PolarHBondContact O-N 2.72Å; L34-Q36 PolarHBondContact O-N 3.32Å; L34-D37 PolarHBondContact O-N 3.27Å; L34-E38 VanDerWaalsContact O-CG 3.22Å; L34-E38 WeakPolarHBondContact O-CG 3.47Å; L34-E38 PolarHBondContact O-N 3.16Å |
| 35 | Q | 47.6 | Very low | 47 | Very low | 124 Ų | 124 | 106.9 Ų | 106.9 | 58% | 0.579 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.8 | -24.9 | 174.6 | -90.3 | -174.1 | -50.1 | 0 | 0 | 114.1 | R31 | R31-Q35 PolarHBondContact O-N 3.02Å; R31-Q35 VanDerWaalsContact O-N 3.14Å |
| 36 | Q | 47.9 | Very low | 47.5 | Very low | 142 Ų | 142 | 108.8 Ų | 108.8 | 66% | 0.664 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -83.2 | -35.1 | 176.6 | -73 | 175.6 | -4.5 | 0 | 0 | 111.8 | L32 S33 L34 Q39 | L32-Q36 WeakPolarHBondContact O-CG 3.11Å; L32-Q36 PolarHBondContact O-N 3.12Å; S33-Q36 PolarHBondContact O-N 3.49Å; L34-Q36 PolarHBondContact O-N 3.32Å; Q36-Q39 PolarHBondContact O-N 3.15Å |
| 37 | D | 46.3 | Very low | 48.1 | Very low | 101 Ų | 101 | 108.2 Ų | 108.2 | 54% | 0.54 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -74.4 | -23.7 | 173 | -80 | -25.3 | 0 | 0 | 0 | 113.2 | S33 L34 Q39 I40 L41 | S33-D37 PolarHBondContact O-N 3.03Å; S33-D37 VanDerWaalsContact O-N 3.1Å; L34-D37 PolarHBondContact O-N 3.27Å; D37-Q39 PolarHBondContact O-N 3.19Å; D37-Q39 VanDerWaalsContact O-N 3.13Å; D37-I40 PolarHBondContact O-N 2.93Å; D37-L41 PolarHBondContact O-N 3.41Å; D37-L41 VanDerWaalsContact O-N 3.07Å |
| 38 | E | 46.7 | Very low | 48.5 | Very low | 93 Ų | 93 | 112.5 Ų | 112.5 | 44% | 0.435 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.9 | -14 | 173 | -72.1 | -141.8 | 124.2 | 0 | 0 | 113.5 | L34 | L34-E38 VanDerWaalsContact O-CG 3.22Å; L34-E38 WeakPolarHBondContact O-CG 3.47Å; L34-E38 PolarHBondContact O-N 3.16Å |
| 39 | Q | 47.6 | Very low | 49.6 | Very low | 175 Ų | 175 | 110.1 Ų | 110.1 | 82% | 0.818 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -15 | 172.6 | -64.4 | -164.5 | 30.3 | 0 | 0 | 113.5 | Q36 D37 | Q36-Q39 PolarHBondContact O-N 3.15Å; D37-Q39 PolarHBondContact O-N 3.19Å; D37-Q39 VanDerWaalsContact O-N 3.13Å |
| 40 | I | 46.5 | Very low | 50.9 | Low | 143 Ų | 143 | 105.3 Ų | 105.3 | 73% | 0.733 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -22.4 | -179.1 | -56.6 | 178.3 | 0 | 0 | 0 | 110.9 | D37 | D37-I40 PolarHBondContact O-N 2.93Š|
| 41 | L | 45.5 | Very low | 52.8 | Low | 110 Ų | 110 | 106.4 Ų | 106.4 | 58% | 0.576 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -129.4 | 107 | 177.5 | -143.8 | 78 | 0 | 0 | 0 | 107.2 | D37 I44 | D37-L41 PolarHBondContact O-N 3.41Å; D37-L41 VanDerWaalsContact O-N 3.07Å; L41-I44 HydrophobicContact CD2-CD1 4.5Å |
| 42 | G | 43 | Very low | 54.6 | Low | 51 Ų | 51 | 102.6 Ų | 102.6 | 53% | 0.526 | 57% | 0.568 | S | S | . | * | trans | -48.4 | 161.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | I44 | G42-I44 VanDerWaalsContact O-CG1 3.3Å; G42-I44 WeakPolarHBondContact O-CG1 3.42Å; G42-I44 PolarHBondContact O-N 3.09Å | ||
| 43 | P | 48.8 | Very low | 56.4 | Low | 114 Ų | 114 | 102.6 Ų | 102.6 | 74% | 0.74 | 58% | 0.577 | S | S | * | * | trans | -57.8 | 124.7 | -165.5 | 25.1 | -33.8 | 0 | 0 | 0 | 110.9 | P45 | P43-P45 VanDerWaalsContact O-CD 3.31Å; P43-P45 WeakPolarHBondContact O-CD 3.5Å | ||
| 44 | I | 54.5 | Low | 58.3 | Low | 43 Ų | 43 | 102.3 Ų | 102.3 | 22% | 0.221 | 57% | 0.571 | C | S | . | * | trans | -94.6 | 110.5 | -174 | -59.6 | 178.2 | 0 | 0 | 0 | 108.5 | L41 G42 E46 V47 | L41-I44 HydrophobicContact CD2-CD1 4.5Å; G42-I44 VanDerWaalsContact O-CG1 3.3Å; G42-I44 WeakPolarHBondContact O-CG1 3.42Å; G42-I44 PolarHBondContact O-N 3.09Å; I44-E46 PolarHBondContact O-N 3.12Å; I44-V47 HydrophobicContact CB-CG2 4.46Å; I44-V47 HydrophobicContact CG2-CG2 4.3Å | ||
| 45 | P | 57.3 | Low | 60 | Low | 114 Ų | 114 | 99.2 Ų | 99.2 | 74% | 0.74 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -9 | -169.4 | -19.4 | 32.9 | 0 | 0 | 0 | 115.3 | P43 | P43-P45 VanDerWaalsContact O-CD 3.31Å; P43-P45 WeakPolarHBondContact O-CD 3.5Å |
| 46 | E | 58.4 | Low | 61.6 | Low | 117 Ų | 117 | 99.7 Ų | 99.7 | 55% | 0.547 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.8 | -6.3 | -160.8 | -68.5 | 172.6 | 173.2 | 0 | 0 | 115.1 | I44 H48 S49 | I44-E46 PolarHBondContact O-N 3.12Å; E46-H48 PolarHBondContact O-N 3.29Å; E46-S49 PolarHBondContact O-N 2.89Å; E46-S49 PolarHBondContact O-OG 2.94Å |
| 47 | V | 59.1 | Low | 63.3 | Low | 67 Ų | 67 | 99.1 Ų | 99.1 | 41% | 0.406 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -63.3 | -30.1 | -177.7 | -176 | 0 | 0 | 0 | 0 | 111.4 | I44 S49 L50 | I44-V47 HydrophobicContact CB-CG2 4.46Å; I44-V47 HydrophobicContact CG2-CG2 4.3Å; V47-S49 VanDerWaalsContact C-N 3.28Å; V47-S49 PolarHBondContact O-N 3.12Å; V47-L50 HydrophobicContact CB-CD1 4.36Å; V47-L50 HydrophobicContact CG1-CD1 4.03Å; V47-L50 WeakPolarHBondContact O-CB 3.28Å; V47-L50 PolarHBondContact O-N 2.83Å |
| 48 | H | 58.3 | Low | 65 | Low | 185 Ų | 185 | 96.4 Ų | 96.4 | 86% | 0.856 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -71.3 | -18.8 | -179 | -64 | -62.3 | 0 | 0 | 0 | 114.3 | E46 | E46-H48 PolarHBondContact O-N 3.29Š|
| 49 | S | 66.3 | Low | 66.7 | Low | 70 Ų | 70 | 94.4 Ų | 94.4 | 49% | 0.49 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -97.6 | 0.2 | 176.2 | 49.3 | 0 | 0 | 0 | 0 | 114.3 | E46 V47 N51 N54 | E46-S49 PolarHBondContact O-N 2.89Å; E46-S49 PolarHBondContact O-OG 2.94Å; V47-S49 VanDerWaalsContact C-N 3.28Å; V47-S49 PolarHBondContact O-N 3.12Å; S49-N51 PolarHBondContact O-N 3.36Å; S49-N54 PolarHBondContact O-ND2 3.09Å |
| 50 | L | 72.1 | Confident | 68.4 | Low | 65 Ų | 65 | 88.6 Ų | 88.6 | 34% | 0.34 | 51% | 0.511 | S | S | . | . | trans | -64 | 122.6 | -179 | -78.7 | 170.8 | 0 | 0 | 0 | 111.6 | V47 N54 Y58 | V47-L50 HydrophobicContact CB-CD1 4.36Å; V47-L50 HydrophobicContact CG1-CD1 4.03Å; V47-L50 WeakPolarHBondContact O-CB 3.28Å; V47-L50 PolarHBondContact O-N 2.83Å; L50-N54 WeakPolarHBondContact CA-OD1 3.41Å; L50-Y58 HydrophobicContact CD1-CD1 4.1Å; L50-Y58 HydrophobicContact CD1-CE1 3.78Å; L50-Y58 HydrophobicContact CD1-CE2 4.27Å; L50-Y58 HydrophobicContact CD1-CG 4.44Å; L50-Y58 HydrophobicContact CD2-CD1 3.57Å; L50-Y58 HydrophobicContact CD2-CD2 3.72Å; L50-Y58 HydrophobicContact CD2-CE1 4.12Å; L50-Y58 HydrophobicContact CD2-CE2 4.27Å; L50-Y58 HydrophobicContact CD2-CG 3.31Å; L50-Y58 HydrophobicContact CG-CD1 4.44Å; L50-Y58 HydrophobicContact CG-CD2 4.41Å; L50-Y58 HydrophobicContact CG-CG 4.34Å | ||
| 51 | N | 81.8 | Confident | 70 | Confident | 79 Ų | 79 | 86.8 Ų | 86.8 | 42% | 0.422 | 51% | 0.511 | S | S | . | . | trans | -138.5 | 172.8 | 176.1 | 63.1 | 37.4 | 0 | 0 | 0 | 109.9 | S49 S53 N54 A55 | S49-N51 PolarHBondContact O-N 3.36Å; N51-S53 VanDerWaalsContact CG-OG 3.28Å; N51-S53 PolarHBondContact O-N 2.99Å; N51-S53 VanDerWaalsContact O-N 3.17Å; N51-S53 PolarHBondContact OD1-N 3.02Å; N51-S53 PolarHBondContact OD1-OG 3.29Å; N51-N54 PolarHBondContact N-OD1 3.39Å; N51-N54 PolarHBondContact O-N 2.95Å; N51-N54 PolarHBondContact O-OD1 3.3Å; N51-N54 VanDerWaalsContact OD1-CG 3.22Å; N51-N54 PolarHBondContact OD1-N 2.6Å; N51-N54 PolarHBondContact OD1-OD1 2.78Å; N51-A55 WeakPolarHBondContact O-CB 3.43Å; N51-A55 PolarHBondContact O-N 2.75Å | ||
| 52 | A | 82 | Confident | 71.7 | Confident | 106 Ų | 106 | 85.7 Ų | 85.7 | 88% | 0.876 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -28 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 53 | S | 83.4 | Confident | 73.4 | Confident | 104 Ų | 104 | 88.9 Ų | 88.9 | 73% | 0.727 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -33.5 | 179.9 | 34.6 | 0 | 0 | 0 | 0 | 114.1 | N51 | N51-S53 VanDerWaalsContact CG-OG 3.28Å; N51-S53 PolarHBondContact O-N 2.99Å; N51-S53 VanDerWaalsContact O-N 3.17Å; N51-S53 PolarHBondContact OD1-N 3.02Å; N51-S53 PolarHBondContact OD1-OG 3.29Å |
| 54 | N | 84 | Confident | 75 | Confident | 41 Ų | 41 | 87.3 Ų | 87.3 | 22% | 0.219 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -7 | -177.7 | 66.5 | 13.5 | 0 | 0 | 0 | 114.2 | S49 L50 N51 H56 E57 Y58 | S49-N54 PolarHBondContact O-ND2 3.09Å; L50-N54 WeakPolarHBondContact CA-OD1 3.41Å; N51-N54 PolarHBondContact N-OD1 3.39Å; N51-N54 PolarHBondContact O-N 2.95Å; N51-N54 PolarHBondContact O-OD1 3.3Å; N51-N54 VanDerWaalsContact OD1-CG 3.22Å; N51-N54 PolarHBondContact OD1-N 2.6Å; N51-N54 PolarHBondContact OD1-OD1 2.78Å; N54-H56 PolarHBondContact O-N 3.07Å; N54-H56 VanDerWaalsContact O-N 3.16Å; N54-E57 PolarHBondContact O-N 3.17Å; N54-Y58 PolarHBondContact O-N 3.34Å |
| 55 | A | 83.2 | Confident | 76.1 | Confident | 40 Ų | 40 | 91.6 Ų | 91.6 | 33% | 0.331 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.6 | -36.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N51 V59 | N51-A55 WeakPolarHBondContact O-CB 3.43Å; N51-A55 PolarHBondContact O-N 2.75Å; A55-V59 WeakPolarHBondContact O-CB 3.36Å; A55-V59 VanDerWaalsContact O-CG2 3.22Å; A55-V59 WeakPolarHBondContact O-CG2 3.42Å; A55-V59 PolarHBondContact O-N 2.86Å |
| 56 | H | 81.5 | Confident | 76.9 | Confident | 133 Ų | 133 | 90 Ų | 90 | 62% | 0.616 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66 | -48.3 | 178.8 | 178.2 | -104.9 | 0 | 0 | 0 | 112.2 | N54 V59 N60 | N54-H56 PolarHBondContact O-N 3.07Å; N54-H56 VanDerWaalsContact O-N 3.16Å; H56-V59 PolarHBondContact O-N 3.49Å; H56-N60 PolarHBondContact CE1-ND2 2.9Å; H56-N60 PolarHBondContact ND1-ND2 3.27Å; H56-N60 PolarHBondContact NE2-ND2 3.46Å; H56-N60 VanDerWaalsContact NE2-ND2 3.15Å; H56-N60 WeakPolarHBondContact O-CB 3.3Å; H56-N60 VanDerWaalsContact O-CG 3.27Å; H56-N60 PolarHBondContact O-N 3.32Å |
| 57 | E | 84 | Confident | 77.5 | Confident | 131 Ų | 131 | 86.3 Ų | 86.3 | 61% | 0.612 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.3 | -45.1 | 177.9 | -70.4 | 174.9 | 180 | 0 | 0 | 110.8 | N54 V59 N60 C61 | N54-E57 PolarHBondContact O-N 3.17Å; E57-V59 PolarHBondContact O-N 3.49Å; E57-N60 PolarHBondContact O-N 3.19Å; E57-C61 WeakPolarHBondContact O-CB 3.27Å; E57-C61 PolarHBondContact O-N 3.02Å; E57-C61 PolarHBondContact O-SG 3.38Å |
| 58 | Y | 81 | Confident | 78.5 | Confident | 44 Ų | 44 | 87.7 Ų | 87.7 | 17% | 0.173 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -58.3 | -46.9 | 176.6 | 177 | -95.5 | 0 | 0 | 0 | 112.6 | L50 N54 C61 R62 | L50-Y58 HydrophobicContact CD1-CD1 4.1Å; L50-Y58 HydrophobicContact CD1-CE1 3.78Å; L50-Y58 HydrophobicContact CD1-CE2 4.27Å; L50-Y58 HydrophobicContact CD1-CG 4.44Å; L50-Y58 HydrophobicContact CD2-CD1 3.57Å; L50-Y58 HydrophobicContact CD2-CD2 3.72Å; L50-Y58 HydrophobicContact CD2-CE1 4.12Å; L50-Y58 HydrophobicContact CD2-CE2 4.27Å; L50-Y58 HydrophobicContact CD2-CG 3.31Å; L50-Y58 HydrophobicContact CG-CD1 4.44Å; L50-Y58 HydrophobicContact CG-CD2 4.41Å; L50-Y58 HydrophobicContact CG-CG 4.34Å; N54-Y58 PolarHBondContact O-N 3.34Å; Y58-C61 PolarHBondContact O-N 2.97Å; Y58-R62 VanDerWaalsContact O-CB 3.22Å; Y58-R62 WeakPolarHBondContact O-CB 3.22Å; Y58-R62 PolarHBondContact O-N 3.26Å; Y58-R62 PolarHBondContact OH-NH1 3.04Å |
| 59 | V | 82.8 | Confident | 79.4 | Confident | 51 Ų | 51 | 88.4 Ų | 88.4 | 31% | 0.309 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 178.7 | 170.4 | 0 | 0 | 0 | 0 | 111 | A55 H56 E57 R62 Y63 | A55-V59 WeakPolarHBondContact O-CB 3.36Å; A55-V59 VanDerWaalsContact O-CG2 3.22Å; A55-V59 WeakPolarHBondContact O-CG2 3.42Å; A55-V59 PolarHBondContact O-N 2.86Å; H56-V59 PolarHBondContact O-N 3.49Å; E57-V59 PolarHBondContact O-N 3.49Å; V59-R62 PolarHBondContact O-N 3.44Å; V59-Y63 HydrophobicContact CG1-CD2 4.24Å; V59-Y63 WeakPolarHBondContact O-CA 3.49Å; V59-Y63 WeakPolarHBondContact O-CB 3.16Å; V59-Y63 PolarHBondContact O-N 3.23Å |
| 60 | N | 81.9 | Confident | 80 | Confident | 52 Ų | 52 | 91.2 Ų | 91.2 | 28% | 0.278 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 177.9 | -72.8 | -12 | 0 | 0 | 0 | 112.4 | H56 E57 V64 C67 | H56-N60 PolarHBondContact CE1-ND2 2.9Å; H56-N60 PolarHBondContact ND1-ND2 3.27Å; H56-N60 PolarHBondContact NE2-ND2 3.46Å; H56-N60 VanDerWaalsContact NE2-ND2 3.15Å; H56-N60 WeakPolarHBondContact O-CB 3.3Å; H56-N60 VanDerWaalsContact O-CG 3.27Å; H56-N60 PolarHBondContact O-N 3.32Å; E57-N60 PolarHBondContact O-N 3.19Å; N60-V64 VanDerWaalsContact O-CA 3.26Å; N60-V64 WeakPolarHBondContact O-CA 3.32Å; N60-V64 WeakPolarHBondContact O-CG2 3.48Å; N60-V64 PolarHBondContact O-N 3.09Å; N60-C67 VanDerWaalsContact OD1-CB 3.28Å; N60-C67 WeakPolarHBondContact OD1-CB 3.3Å; N60-C67 PolarHBondContact OD1-SG 3.41Å |
| 61 | C | 80.4 | Confident | 80.1 | Confident | 106 Ų | 106 | 94.3 Ų | 94.3 | 72% | 0.716 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.7 | -40.2 | 176.9 | -69.9 | 0 | 0 | 0 | 0 | 112 | E57 Y58 V64 | E57-C61 WeakPolarHBondContact O-CB 3.27Å; E57-C61 PolarHBondContact O-N 3.02Å; E57-C61 PolarHBondContact O-SG 3.38Å; Y58-C61 PolarHBondContact O-N 2.97Å; C61-V64 WeakPolarHBondContact O-CG2 3.34Å |
| 62 | R | 81.5 | Confident | 79.8 | Confident | 87 Ų | 87 | 94.3 Ų | 94.3 | 33% | 0.328 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -81.3 | -34.3 | -176.4 | -172 | 169.8 | 178.9 | 140.9 | 5.9 | 113.6 | Y58 V59 | Y58-R62 VanDerWaalsContact O-CB 3.22Å; Y58-R62 WeakPolarHBondContact O-CB 3.22Å; Y58-R62 PolarHBondContact O-N 3.26Å; Y58-R62 PolarHBondContact OH-NH1 3.04Å; V59-R62 PolarHBondContact O-N 3.44Å |
| 63 | Y | 79.8 | Confident | 79.4 | Confident | 118 Ų | 118 | 98 Ų | 98 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | trans | -124.4 | 47.6 | -175.4 | -55.3 | -75.1 | 0 | 0 | 0 | 111.4 | V59 E65 S66 C67 | V59-Y63 HydrophobicContact CG1-CD2 4.24Å; V59-Y63 WeakPolarHBondContact O-CA 3.49Å; V59-Y63 WeakPolarHBondContact O-CB 3.16Å; V59-Y63 PolarHBondContact O-N 3.23Å; Y63-E65 PolarHBondContact O-N 3.17Å; Y63-E65 VanDerWaalsContact O-N 3.15Å; Y63-S66 WeakPolarHBondContact O-CA 3.12Å; Y63-S66 PolarHBondContact O-N 2.85Å; Y63-C67 PolarHBondContact O-N 3.47Å; Y63-C67 VanDerWaalsContact O-N 3.12Å | ||
| 64 | V | 82.4 | Confident | 79 | Confident | 81 Ų | 81 | 99.7 Ų | 99.7 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -45.2 | -50.1 | -179.2 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | N60 C61 S66 C67 K68 | N60-V64 VanDerWaalsContact O-CA 3.26Å; N60-V64 WeakPolarHBondContact O-CA 3.32Å; N60-V64 WeakPolarHBondContact O-CG2 3.48Å; N60-V64 PolarHBondContact O-N 3.09Å; C61-V64 WeakPolarHBondContact O-CG2 3.34Å; V64-S66 VanDerWaalsContact C-N 3.29Å; V64-S66 PolarHBondContact O-N 2.97Å; V64-C67 PolarHBondContact O-N 3.44Å; V64-C67 VanDerWaalsContact O-N 3.09Å; V64-K68 PolarHBondContact O-N 2.85Å; V64-K68 VanDerWaalsContact O-N 3.16Å |
| 65 | E | 77.4 | Confident | 78.7 | Confident | 133 Ų | 133 | 105.2 Ų | 105.2 | 62% | 0.621 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.2 | -33.2 | -179.1 | -64.8 | -57.1 | 130.6 | 0 | 0 | 113.8 | Y63 C67 K68 | Y63-E65 PolarHBondContact O-N 3.17Å; Y63-E65 VanDerWaalsContact O-N 3.15Å; E65-C67 VanDerWaalsContact C-N 3.35Å; E65-K68 VanDerWaalsContact OE1-CE 3.22Å; E65-K68 WeakPolarHBondContact OE1-CE 3.48Å; E65-K68 IonicContact OE1-NZ 2.67Å; E65-K68 PolarHBondContact OE1-NZ 2.94Å; E65-K68 WeakPolarHBondContact OE2-CE 3.45Å; E65-K68 IonicContact OE2-NZ 2.67Å; E65-K68 PolarHBondContact OE2-NZ 3.34Å |
| 66 | S | 72.7 | Confident | 78.5 | Confident | 79 Ų | 79 | 112.2 Ų | 112.2 | 55% | 0.552 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -83.3 | -14.5 | 178.8 | -58.5 | 0 | 0 | 0 | 0 | 113.4 | Y63 V64 | Y63-S66 WeakPolarHBondContact O-CA 3.12Å; Y63-S66 PolarHBondContact O-N 2.85Å; V64-S66 VanDerWaalsContact C-N 3.29Å; V64-S66 PolarHBondContact O-N 2.97Å |
| 67 | C | 72.9 | Confident | 78.3 | Confident | 41 Ų | 41 | 109.1 Ų | 109.1 | 28% | 0.277 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -104.2 | 0.5 | -179.7 | -66.1 | 0 | 0 | 0 | 0 | 113.1 | N60 Y63 V64 E65 | N60-C67 VanDerWaalsContact OD1-CB 3.28Å; N60-C67 WeakPolarHBondContact OD1-CB 3.3Å; N60-C67 PolarHBondContact OD1-SG 3.41Å; Y63-C67 PolarHBondContact O-N 3.47Å; Y63-C67 VanDerWaalsContact O-N 3.12Å; V64-C67 PolarHBondContact O-N 3.44Å; V64-C67 VanDerWaalsContact O-N 3.09Å; E65-C67 VanDerWaalsContact C-N 3.35Å |
| 68 | K | 78.8 | Confident | 78.3 | Confident | 95 Ų | 95 | 111.7 Ų | 111.7 | 41% | 0.413 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -59.2 | 143 | 168.5 | -69.6 | -178.9 | 179.5 | 171.4 | 0 | 109.7 | V64 E65 N70 | V64-K68 PolarHBondContact O-N 2.85Å; V64-K68 VanDerWaalsContact O-N 3.16Å; E65-K68 VanDerWaalsContact OE1-CE 3.22Å; E65-K68 WeakPolarHBondContact OE1-CE 3.48Å; E65-K68 IonicContact OE1-NZ 2.67Å; E65-K68 PolarHBondContact OE1-NZ 2.94Å; E65-K68 WeakPolarHBondContact OE2-CE 3.45Å; E65-K68 IonicContact OE2-NZ 2.67Å; E65-K68 PolarHBondContact OE2-NZ 3.34Å; K68-N70 HydrophobicContact CB-CB 4.47Å; K68-N70 PolarHBondContact O-N 2.91Å |
| 69 | E | 77.7 | Confident | 78.3 | Confident | 201 Ų | 201 | 114.4 Ų | 114.4 | 94% | 0.939 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -69.8 | -8.8 | 176 | -62.2 | -174.8 | 168.2 | 0 | 0 | 113 | ||
| 70 | N | 78 | Confident | 78.5 | Confident | 129 Ų | 129 | 116.5 Ų | 116.5 | 69% | 0.69 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -71.6 | 158.2 | 178.7 | -60.9 | -26.1 | 0 | 0 | 0 | 111.7 | K68 G72 | K68-N70 HydrophobicContact CB-CB 4.47Å; K68-N70 PolarHBondContact O-N 2.91Å; N70-G72 PolarHBondContact O-N 2.98Å |
| 71 | L | 75.2 | Confident | 78.6 | Confident | 129 Ų | 129 | 121.9 Ų | 121.9 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 131.7 | 170 | -88.9 | 109.3 | 0 | 0 | 0 | 110.6 | V115 V117 | L71-V115 HydrophobicContact CB-CG1 4.45Å; L71-V115 HydrophobicContact CD1-CG1 4.1Å; L71-V117 HydrophobicContact CD2-CG2 4.16Å |
| 72 | G | 76 | Confident | 79 | Confident | 79 Ų | 79 | 123 Ų | 123 | 81% | 0.814 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 139.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N70 | N70-G72 PolarHBondContact O-N 2.98Š|
| 73 | Y | 72.1 | Confident | 79.2 | Confident | 185 Ų | 185 | 125.6 Ų | 125.6 | 73% | 0.725 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 117.9 | 174.4 | -177.7 | -113.4 | 0 | 0 | 0 | 110.1 | K75 | Y73-K75 HydrophobicContact CD1-CD 4.38Å; Y73-K75 HydrophobicContact CD1-CG 3.52Å; Y73-K75 HydrophobicContact CE1-CB 4.48Å; Y73-K75 HydrophobicContact CE1-CD 4.43Å; Y73-K75 HydrophobicContact CE1-CG 3.55Å |
| 74 | F | 76.3 | Confident | 79.8 | Confident | 139 Ų | 139 | 126.8 Ų | 126.8 | 61% | 0.61 | 68% | 0.682 | S | S | * | * | trans | -92.9 | 103.6 | 179.2 | -162.9 | -89.7 | 0 | 0 | 0 | 110 | F76 A77 | F74-F76 HydrophobicContact CE1-CB 3.95Å; F74-F76 HydrophobicContact CZ-CB 4.44Å; F74-F76 PolarHBondContact O-N 3.43Å; F74-A77 HydrophobicContact CD1-CB 3.42Å; F74-A77 VanDerWaalsContact CD1-CB 3.42Å; F74-A77 VanDerWaalsContact CD1-N 3.27Å; F74-A77 HydrophobicContact CE1-CB 3.27Å; F74-A77 VanDerWaalsContact CE1-N 3.26Å; F74-A77 HydrophobicContact CZ-CB 4.45Å | ||
| 75 | K | 78.3 | Confident | 80.2 | Confident | 157 Ų | 157 | 129.8 Ų | 129.8 | 68% | 0.683 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -23.6 | -174 | -66.4 | -172.7 | 174.6 | -170.5 | 0 | 114.7 | Y73 | Y73-K75 HydrophobicContact CD1-CD 4.38Å; Y73-K75 HydrophobicContact CD1-CG 3.52Å; Y73-K75 HydrophobicContact CE1-CB 4.48Å; Y73-K75 HydrophobicContact CE1-CD 4.43Å; Y73-K75 HydrophobicContact CE1-CG 3.55Å |
| 76 | F | 77.4 | Confident | 80.8 | Confident | 187 Ų | 187 | 129 Ų | 129 | 82% | 0.82 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | -1 | -162 | -56.5 | -70.4 | 0 | 0 | 0 | 114.8 | F74 | F74-F76 HydrophobicContact CE1-CB 3.95Å; F74-F76 HydrophobicContact CZ-CB 4.44Å; F74-F76 PolarHBondContact O-N 3.43Å |
| 77 | A | 78.8 | Confident | 81.7 | Confident | 67 Ų | 67 | 127.8 Ų | 127.8 | 55% | 0.554 | 70% | 0.698 | S | S | * | * | trans | -126.4 | 132.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | F74 | F74-A77 HydrophobicContact CD1-CB 3.42Å; F74-A77 VanDerWaalsContact CD1-CB 3.42Å; F74-A77 VanDerWaalsContact CD1-N 3.27Å; F74-A77 HydrophobicContact CE1-CB 3.27Å; F74-A77 VanDerWaalsContact CE1-N 3.26Å; F74-A77 HydrophobicContact CZ-CB 4.45Å | ||
| 78 | K | 83.3 | Confident | 82.3 | Confident | 185 Ų | 185 | 136 Ų | 136 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -107.8 | 125.4 | 166.3 | -172.3 | 172.6 | -178 | 174.5 | 0 | 107.6 | ||||
| 79 | A | 81.5 | Confident | 82.6 | Confident | 101 Ų | 101 | 135.4 Ų | 135.4 | 84% | 0.835 | 73% | 0.728 | S | S | * | * | trans | -82.8 | 131.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 80 | S | 86.2 | Confident | 82.9 | Confident | 95 Ų | 95 | 130.9 Ų | 130.9 | 66% | 0.664 | 71% | 0.714 | S | S | * | * | trans | -120.4 | 136.3 | 172.1 | -62.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 81 | L | 84.6 | Confident | 83.2 | Confident | 166 Ų | 166 | 131.5 Ų | 131.5 | 87% | 0.869 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -104 | 120.1 | 174.4 | -68.1 | 171.6 | 0 | 0 | 0 | 108.7 | ||
| 82 | C | 87.4 | Confident | 83.7 | Confident | 130 Ų | 130 | 134.8 Ų | 134.8 | 88% | 0.878 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 117.1 | 172.9 | -61.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 83 | L | 87.5 | Confident | 84 | Confident | 140 Ų | 140 | 136.7 Ų | 136.7 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 154.6 | 176.4 | -58.9 | 179.7 | 0 | 0 | 0 | 110.3 | A87 | L83-A87 HydrophobicContact CB-CB 4Š|
| 84 | Q | 91.3 | Very high | 84.6 | Confident | 144 Ų | 144 | 136.4 Ų | 136.4 | 67% | 0.673 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 146 | 167.5 | -65.8 | -179.5 | -10.4 | 0 | 0 | 109.2 | D86 A87 | Q84-D86 VanDerWaalsContact CB-OD1 3.26Å; Q84-D86 WeakPolarHBondContact CB-OD1 3.22Å; Q84-D86 PolarHBondContact O-N 3.13Å; Q84-D86 VanDerWaalsContact O-N 3.09Å; Q84-A87 HydrophobicContact CB-CB 4.39Å; Q84-A87 WeakPolarHBondContact O-CB 3.44Å; Q84-A87 PolarHBondContact O-N 3.48Å |
| 85 | P | 90.3 | Very high | 84.9 | Confident | 144 Ų | 144 | 140.1 Ų | 140.1 | 94% | 0.935 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -24.7 | -177.1 | -25.3 | 34.4 | 0 | 0 | 0 | 114.5 | ||
| 86 | D | 91.3 | Very high | 85 | Confident | 117 Ų | 117 | 141.1 Ų | 141.1 | 63% | 0.626 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 1.3 | 179.2 | 64.7 | -35.8 | 0 | 0 | 0 | 113.6 | Q84 R88 | Q84-D86 VanDerWaalsContact CB-OD1 3.26Å; Q84-D86 WeakPolarHBondContact CB-OD1 3.22Å; Q84-D86 PolarHBondContact O-N 3.13Å; Q84-D86 VanDerWaalsContact O-N 3.09Å; D86-R88 PolarHBondContact O-N 3.36Å |
| 87 | A | 90 | Very high | 84.8 | Confident | 52 Ų | 52 | 134.6 Ų | 134.6 | 43% | 0.43 | 72% | 0.718 | S | S | . | * | trans | -64.8 | 132.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L83 Q84 | L83-A87 HydrophobicContact CB-CB 4Å; Q84-A87 HydrophobicContact CB-CB 4.39Å; Q84-A87 WeakPolarHBondContact O-CB 3.44Å; Q84-A87 PolarHBondContact O-N 3.48Å | ||
| 88 | R | 86.4 | Confident | 84.9 | Confident | 214 Ų | 214 | 141.2 Ų | 141.2 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | trans | -116.7 | 145.5 | 176.9 | -62.1 | -176.8 | -174.9 | -170.2 | -0.1 | 110.4 | D86 V90 | D86-R88 PolarHBondContact O-N 3.36Å; R88-V90 PolarHBondContact O-N 3.15Å | ||
| 89 | P | 84.5 | Confident | 84.4 | Confident | 82 Ų | 82 | 143 Ų | 143 | 53% | 0.532 | 73% | 0.732 | S | S | . | * | trans | -61.3 | 130.4 | 172.3 | 26.1 | -32.9 | 0 | 0 | 0 | 109.7 | F91 | P89-F91 HydrophobicContact CB-CE2 3.9Å; P89-F91 HydrophobicContact CB-CZ 4.17Å; P89-F91 HydrophobicContact CG-CE2 4.12Å | ||
| 90 | V | 85.4 | Confident | 84 | Confident | 106 Ų | 106 | 141.7 Ų | 141.7 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | trans | -109 | 104.2 | 177.6 | -178 | 0 | 0 | 0 | 0 | 108.8 | R88 R92 | R88-V90 PolarHBondContact O-N 3.15Å; V90-R92 HydrophobicContact CG1-CG 3.98Å | ||
| 91 | F | 83.6 | Confident | 83.7 | Confident | 142 Ų | 142 | 142.5 Ų | 142.5 | 62% | 0.623 | 71% | 0.713 | S | S | * | * | trans | -82.5 | 121.9 | 173.5 | -61.1 | -82.1 | 0 | 0 | 0 | 109.6 | P89 Y123 | P89-F91 HydrophobicContact CB-CE2 3.9Å; P89-F91 HydrophobicContact CB-CZ 4.17Å; P89-F91 HydrophobicContact CG-CE2 4.12Å; F91-Y123 HydrophobicContact CE1-CD1 4.47Å; F91-Y123 HydrophobicContact CE1-CG 4.47Å | ||
| 92 | R | 85.5 | Confident | 83.5 | Confident | 198 Ų | 198 | 136 Ų | 136 | 75% | 0.747 | 68% | 0.683 | S | S | * | * | trans | -116.3 | 137.5 | 176.3 | -61.1 | -169.1 | -177.7 | -160.5 | 1.5 | 109.3 | V90 | V90-R92 HydrophobicContact CG1-CG 3.98Š| ||
| 93 | P | 83.6 | Confident | 83.4 | Confident | 120 Ų | 120 | 133.5 Ų | 133.5 | 78% | 0.779 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 144.6 | 171.8 | -24.7 | 33.8 | 0 | 0 | 0 | 111.4 | R95 | P93-R95 PolarHBondContact O-N 3.27Š|
| 94 | K | 83.1 | Confident | 83.4 | Confident | 178 Ų | 178 | 131.5 Ų | 131.5 | 77% | 0.774 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 126.5 | 174.6 | -173.6 | 177.5 | 179.4 | -177.9 | 0 | 108.8 | L96 | K94-L96 PolarHBondContact O-N 3.41Š|
| 95 | R | 84.1 | Confident | 83.1 | Confident | 217 Ų | 217 | 129 Ų | 129 | 82% | 0.819 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 131.6 | 173.2 | -69.5 | -177.8 | 178.6 | 176 | -1.5 | 108.6 | P93 A97 | P93-R95 PolarHBondContact O-N 3.27Å; R95-A97 PolarHBondContact O-N 3.12Å; R95-A97 VanDerWaalsContact O-N 3.1Å |
| 96 | L | 79.4 | Confident | 83 | Confident | 179 Ų | 179 | 126.6 Ų | 126.6 | 94% | 0.937 | 62% | 0.623 | S | S | * | * | trans | -64.7 | 112.7 | 171.1 | -66 | 174.3 | 0 | 0 | 0 | 108.5 | K94 | K94-L96 PolarHBondContact O-N 3.41Š| ||
| 97 | A | 74.3 | Confident | 82.9 | Confident | 50 Ų | 50 | 124 Ų | 124 | 41% | 0.413 | 62% | 0.618 | S | S | . | * | trans | -69.9 | 148.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | R95 Y99 L105 | R95-A97 PolarHBondContact O-N 3.12Å; R95-A97 VanDerWaalsContact O-N 3.1Å; A97-Y99 PolarHBondContact O-N 3.18Å; A97-L105 HydrophobicContact CB-CD1 3.78Å | ||
| 98 | R | 80.6 | Confident | 82.9 | Confident | 206 Ų | 206 | 127 Ų | 127 | 78% | 0.777 | 62% | 0.623 | S | S | * | * | trans | -59.4 | 133.4 | 168 | -69.4 | -178.8 | 178.7 | -178 | -0.7 | 107.8 | A100 F101 | R98-A100 PolarHBondContact O-N 3.29Å; R98-F101 HydrophobicContact CB-CD2 4.09Å; R98-F101 PolarHBondContact O-N 3.09Å | ||
| 99 | Y | 72.4 | Confident | 82.9 | Confident | 221 Ų | 221 | 122.3 Ų | 122.3 | 87% | 0.867 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -46.4 | -38.5 | -173.7 | -173.4 | -94 | 0 | 0 | 0 | 113.7 | A97 F101 A102 | A97-Y99 PolarHBondContact O-N 3.18Å; Y99-F101 PolarHBondContact O-N 2.97Å; Y99-F101 VanDerWaalsContact O-N 3.1Å; Y99-A102 PolarHBondContact O-N 3.39Å |
| 100 | A | 72.7 | Confident | 83.2 | Confident | 74 Ų | 74 | 122.1 Ų | 122.1 | 61% | 0.612 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.4 | -20.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R98 | R98-A100 PolarHBondContact O-N 3.29Å |
| 101 | F | 80.7 | Confident | 83.5 | Confident | 112 Ų | 112 | 120.8 Ų | 120.8 | 49% | 0.491 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -108.6 | -6.5 | -179.2 | -61.2 | -79.5 | 0 | 0 | 0 | 113.5 | R98 Y99 S103 I104 L105 | R98-F101 HydrophobicContact CB-CD2 4.09Å; R98-F101 PolarHBondContact O-N 3.09Å; Y99-F101 PolarHBondContact O-N 2.97Å; Y99-F101 VanDerWaalsContact O-N 3.1Å; F101-S103 PolarHBondContact O-N 2.89Å; F101-I104 HydrophobicContact CD1-CD1 4.34Å; F101-I104 PolarHBondContact O-N 3.5Å; F101-L105 HydrophobicContact CB-CD1 4.41Å; F101-L105 WeakPolarHBondContact O-CB 3.34Å; F101-L105 VanDerWaalsContact O-CG 3.29Å; F101-L105 WeakPolarHBondContact O-CG 3.33Å; F101-L105 PolarHBondContact O-N 3Å |
| 102 | A | 80.4 | Confident | 83.6 | Confident | 31 Ų | 31 | 116.8 Ų | 116.8 | 26% | 0.256 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -58.9 | -48.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y99 I104 L105 E106 | Y99-A102 PolarHBondContact O-N 3.39Å; A102-I104 PolarHBondContact O-N 3.15Å; A102-L105 PolarHBondContact O-N 3.45Å; A102-E106 WeakPolarHBondContact O-CB 3.36Å; A102-E106 WeakPolarHBondContact O-CG 3.44Å; A102-E106 PolarHBondContact O-N 2.89Å |
| 103 | S | 83.9 | Confident | 83.9 | Confident | 77 Ų | 77 | 110.3 Ų | 110.3 | 54% | 0.538 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.2 | -36.6 | 178.9 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | F101 A107 | F101-S103 PolarHBondContact O-N 2.89Å; S103-A107 VanDerWaalsContact O-CB 3.27Å; S103-A107 WeakPolarHBondContact O-CB 3.34Å; S103-A107 PolarHBondContact O-N 3.14Å |
| 104 | I | 87.7 | Confident | 84.1 | Confident | 98 Ų | 98 | 113.7 Ų | 113.7 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.7 | -45.6 | 178.2 | -61.2 | 172.8 | 0 | 0 | 0 | 110 | F101 A102 E106 A107 E108 | F101-I104 HydrophobicContact CD1-CD1 4.34Å; F101-I104 PolarHBondContact O-N 3.5Å; A102-I104 PolarHBondContact O-N 3.15Å; I104-E106 VanDerWaalsContact C-N 3.35Å; I104-A107 PolarHBondContact O-N 2.92Å; I104-E108 WeakPolarHBondContact O-CB 3.44Å; I104-E108 PolarHBondContact O-N 3.33Å |
| 105 | L | 85.9 | Confident | 84.3 | Confident | 91 Ų | 91 | 109.2 Ų | 109.2 | 48% | 0.476 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 178.8 | -68.9 | 172.6 | 0 | 0 | 0 | 111.9 | A97 F101 A102 R109 | A97-L105 HydrophobicContact CB-CD1 3.78Å; F101-L105 HydrophobicContact CB-CD1 4.41Å; F101-L105 WeakPolarHBondContact O-CB 3.34Å; F101-L105 VanDerWaalsContact O-CG 3.29Å; F101-L105 WeakPolarHBondContact O-CG 3.33Å; F101-L105 PolarHBondContact O-N 3Å; A102-L105 PolarHBondContact O-N 3.45Å; L105-R109 WeakPolarHBondContact O-CB 3.47Å; L105-R109 PolarHBondContact O-N 3.3Å |
| 106 | E | 87.3 | Confident | 84.4 | Confident | 94 Ų | 94 | 101.8 Ų | 101.8 | 44% | 0.439 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.7 | -45.2 | 175.5 | -74.1 | 172.7 | 173.1 | 0 | 0 | 111.3 | A102 I104 E108 R109 D110 | A102-E106 WeakPolarHBondContact O-CB 3.36Å; A102-E106 WeakPolarHBondContact O-CG 3.44Å; A102-E106 PolarHBondContact O-N 2.89Å; I104-E106 VanDerWaalsContact C-N 3.35Å; E106-E108 VanDerWaalsContact C-N 3.34Å; E106-E108 PolarHBondContact O-N 3.48Å; E106-R109 WeakPolarHBondContact O-CB 3.37Å; E106-R109 PolarHBondContact O-N 2.85Å; E106-D110 WeakPolarHBondContact O-CB 3.38Å; E106-D110 PolarHBondContact O-N 3.12Å |
| 107 | A | 90 | Very high | 84.7 | Confident | 61 Ų | 61 | 97.2 Ų | 97.2 | 50% | 0.504 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S103 I104 C111 | S103-A107 VanDerWaalsContact O-CB 3.27Å; S103-A107 WeakPolarHBondContact O-CB 3.34Å; S103-A107 PolarHBondContact O-N 3.14Å; I104-A107 PolarHBondContact O-N 2.92Å; A107-C111 WeakPolarHBondContact O-CB 3.27Å; A107-C111 PolarHBondContact O-N 3.4Å |
| 108 | E | 89.1 | Confident | 85.3 | Confident | 115 Ų | 115 | 98.5 Ų | 98.5 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 174.9 | -176.7 | 170.7 | -164.8 | 0 | 0 | 111.2 | I104 E106 D110 C111 I112 | I104-E108 WeakPolarHBondContact O-CB 3.44Å; I104-E108 PolarHBondContact O-N 3.33Å; E106-E108 VanDerWaalsContact C-N 3.34Å; E106-E108 PolarHBondContact O-N 3.48Å; E108-D110 PolarHBondContact O-N 2.92Å; E108-C111 WeakPolarHBondContact O-CB 3.45Å; E108-C111 PolarHBondContact O-N 2.92Å; E108-I112 HydrophobicContact CG-CD1 3.83Å; E108-I112 HydrophobicContact CG-CG1 4.49Å; E108-I112 VanDerWaalsContact O-CG1 3.22Å; E108-I112 WeakPolarHBondContact O-CG1 3.41Å; E108-I112 PolarHBondContact O-N 2.95Å |
| 109 | R | 87.9 | Confident | 85.6 | Confident | 117 Ų | 117 | 92.7 Ų | 92.7 | 44% | 0.442 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.8 | -49.9 | 174.8 | -176.4 | -160 | 70 | 175 | -0.2 | 111.2 | L105 E106 C111 I112 Q113 I118 | L105-R109 WeakPolarHBondContact O-CB 3.47Å; L105-R109 PolarHBondContact O-N 3.3Å; E106-R109 WeakPolarHBondContact O-CB 3.37Å; E106-R109 PolarHBondContact O-N 2.85Å; R109-C111 VanDerWaalsContact C-N 3.29Å; R109-C111 PolarHBondContact O-N 3.26Å; R109-I112 PolarHBondContact O-N 3.42Å; R109-Q113 WeakPolarHBondContact O-CB 3.43Å; R109-Q113 PolarHBondContact O-N 3.31Å; R109-I118 HydrophobicContact CG-CD1 3.96Å |
| 110 | D | 90.9 | Very high | 86.3 | Confident | 78 Ų | 78 | 89 Ų | 89 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -36.3 | -177.8 | -66.3 | -6.6 | 0 | 0 | 0 | 111.3 | E106 E108 K114 | E106-D110 WeakPolarHBondContact O-CB 3.38Å; E106-D110 PolarHBondContact O-N 3.12Å; E108-D110 PolarHBondContact O-N 2.92Å; D110-K114 VanDerWaalsContact O-CB 3.27Å; D110-K114 WeakPolarHBondContact O-CB 3.49Å; D110-K114 PolarHBondContact O-N 3.42Å |
| 111 | C | 89.9 | Confident | 86.8 | Confident | 78 Ų | 78 | 87.3 Ų | 87.3 | 53% | 0.527 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.1 | -48.1 | 172.7 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | A107 E108 R109 Q113 K114 V115 | A107-C111 WeakPolarHBondContact O-CB 3.27Å; A107-C111 PolarHBondContact O-N 3.4Å; E108-C111 WeakPolarHBondContact O-CB 3.45Å; E108-C111 PolarHBondContact O-N 2.92Å; R109-C111 VanDerWaalsContact C-N 3.29Å; R109-C111 PolarHBondContact O-N 3.26Å; C111-Q113 VanDerWaalsContact C-N 3.34Å; C111-Q113 PolarHBondContact O-N 3.42Å; C111-K114 PolarHBondContact O-N 2.95Å; C111-V115 VanDerWaalsContact O-CG2 3.32Å; C111-V115 WeakPolarHBondContact O-CG2 3.49Å; C111-V115 PolarHBondContact O-N 3.25Å |
| 112 | I | 87.2 | Confident | 86.5 | Confident | 58 Ų | 58 | 88.4 Ų | 88.4 | 30% | 0.297 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -38.4 | -179.7 | -65.5 | 169.1 | 0 | 0 | 0 | 111.1 | E108 R109 V115 G116 V117 I118 | E108-I112 HydrophobicContact CG-CD1 3.83Å; E108-I112 HydrophobicContact CG-CG1 4.49Å; E108-I112 VanDerWaalsContact O-CG1 3.22Å; E108-I112 WeakPolarHBondContact O-CG1 3.41Å; E108-I112 PolarHBondContact O-N 2.95Å; R109-I112 PolarHBondContact O-N 3.42Å; I112-V115 PolarHBondContact O-N 2.97Å; I112-G116 PolarHBondContact O-N 3.09Å; I112-V117 HydrophobicContact CG2-CB 3.58Å; I112-V117 HydrophobicContact CG2-CG1 3.74Å; I112-V117 HydrophobicContact CG2-CG2 4.49Å; I112-V117 PolarHBondContact O-N 2.91Å; I112-V117 VanDerWaalsContact O-N 3.09Å; I112-I118 HydrophobicContact CB-CD1 4.32Å; I112-I118 HydrophobicContact CB-CG1 4.48Å; I112-I118 HydrophobicContact CG2-CB 4.38Å; I112-I118 HydrophobicContact CG2-CD1 3.99Å; I112-I118 HydrophobicContact CG2-CG1 3.88Å; I112-I118 HydrophobicContact CG2-CG2 3.87Å |
| 113 | Q | 90.2 | Very high | 85.8 | Confident | 62 Ų | 62 | 93.9 Ų | 93.9 | 29% | 0.29 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 174.9 | -172.7 | 172.2 | -2.3 | 0 | 0 | 111.3 | R109 C111 V115 G116 I118 E120 | R109-Q113 WeakPolarHBondContact O-CB 3.43Å; R109-Q113 PolarHBondContact O-N 3.31Å; C111-Q113 VanDerWaalsContact C-N 3.34Å; C111-Q113 PolarHBondContact O-N 3.42Å; Q113-V115 VanDerWaalsContact C-N 3.3Å; Q113-V115 PolarHBondContact O-N 2.93Å; Q113-G116 WeakPolarHBondContact O-CA 3.29Å; Q113-G116 PolarHBondContact O-N 3.47Å; Q113-I118 HydrophobicContact CB-CD1 4.38Å; Q113-I118 HydrophobicContact CB-CG1 3.95Å; Q113-E120 PolarHBondContact NE2-OE1 3.2Å; Q113-E120 VanDerWaalsContact NE2-OE1 3.09Å |
| 114 | K | 89.6 | Confident | 84.7 | Confident | 191 Ų | 191 | 95.6 Ų | 95.6 | 83% | 0.83 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.1 | -33.5 | 175.9 | -174.7 | 178.5 | -179.9 | -179.5 | 0 | 113.1 | D110 C111 G116 | D110-K114 VanDerWaalsContact O-CB 3.27Å; D110-K114 WeakPolarHBondContact O-CB 3.49Å; D110-K114 PolarHBondContact O-N 3.42Å; C111-K114 PolarHBondContact O-N 2.95Å; K114-G116 PolarHBondContact O-N 3.33Å |
| 115 | V | 85.9 | Confident | 83.1 | Confident | 83 Ų | 83 | 96.2 Ų | 96.2 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -12.4 | 174.3 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | L71 C111 I112 Q113 V117 | L71-V115 HydrophobicContact CB-CG1 4.45Å; L71-V115 HydrophobicContact CD1-CG1 4.1Å; C111-V115 VanDerWaalsContact O-CG2 3.32Å; C111-V115 WeakPolarHBondContact O-CG2 3.49Å; C111-V115 PolarHBondContact O-N 3.25Å; I112-V115 PolarHBondContact O-N 2.97Å; Q113-V115 VanDerWaalsContact C-N 3.3Å; Q113-V115 PolarHBondContact O-N 2.93Å; V115-V117 HydrophobicContact CB-CG2 4.41Å; V115-V117 HydrophobicContact CG1-CG2 4.05Å |
| 116 | G | 86.3 | Confident | 81.5 | Confident | 61 Ų | 61 | 94.3 Ų | 94.3 | 63% | 0.629 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 17.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I112 Q113 K114 | I112-G116 PolarHBondContact O-N 3.09Å; Q113-G116 WeakPolarHBondContact O-CA 3.29Å; Q113-G116 PolarHBondContact O-N 3.47Å; K114-G116 PolarHBondContact O-N 3.33Å |
| 117 | V | 86 | Confident | 79.5 | Confident | 83 Ų | 83 | 94 Ų | 94 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -75.4 | -31.8 | 176.8 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L71 I112 V115 | L71-V117 HydrophobicContact CD2-CG2 4.16Å; I112-V117 HydrophobicContact CG2-CB 3.58Å; I112-V117 HydrophobicContact CG2-CG1 3.74Å; I112-V117 HydrophobicContact CG2-CG2 4.49Å; I112-V117 PolarHBondContact O-N 2.91Å; I112-V117 VanDerWaalsContact O-N 3.09Å; V115-V117 HydrophobicContact CB-CG2 4.41Å; V115-V117 HydrophobicContact CG1-CG2 4.05Å |
| 118 | I | 87.4 | Confident | 77.8 | Confident | 77 Ų | 77 | 97 Ų | 97 | 40% | 0.395 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -127.1 | 150.3 | 173.8 | 66.8 | -178.1 | 0 | 0 | 0 | 109.7 | R109 I112 Q113 | R109-I118 HydrophobicContact CG-CD1 3.96Å; I112-I118 HydrophobicContact CB-CD1 4.32Å; I112-I118 HydrophobicContact CB-CG1 4.48Å; I112-I118 HydrophobicContact CG2-CB 4.38Å; I112-I118 HydrophobicContact CG2-CD1 3.99Å; I112-I118 HydrophobicContact CG2-CG1 3.88Å; I112-I118 HydrophobicContact CG2-CG2 3.87Å; Q113-I118 HydrophobicContact CB-CD1 4.38Å; Q113-I118 HydrophobicContact CB-CG1 3.95Å |
| 119 | S | 87.3 | Confident | 75.7 | Confident | 85 Ų | 85 | 96.6 Ų | 96.6 | 59% | 0.594 | 54% | 0.538 | S | S | * | . | trans | -126.4 | 154.6 | 171.8 | 62.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 120 | E | 86.4 | Confident | 73.6 | Confident | 143 Ų | 143 | 93.3 Ų | 93.3 | 67% | 0.668 | 54% | 0.541 | S | S | * | . | trans | -65.4 | 143.5 | 166.6 | -76.4 | 172.2 | -157.6 | 0 | 0 | 109.6 | Q113 | Q113-E120 PolarHBondContact NE2-OE1 3.2Å; Q113-E120 VanDerWaalsContact NE2-OE1 3.09Å | ||
| 121 | V | 82.3 | Confident | 71 | Confident | 39 Ų | 39 | 93.6 Ų | 93.6 | 24% | 0.236 | 55% | 0.549 | C | S | . | . | trans | -137.1 | 127.1 | 179.6 | 179 | 0 | 0 | 0 | 0 | 107.3 | Y123 I128 | V121-Y123 HydrophobicContact CB-CE2 4.42Å; V121-Y123 HydrophobicContact CG1-CE1 4.36Å; V121-Y123 WeakPolarHBondContact O-CD2 3.18Å; V121-Y123 WeakPolarHBondContact O-CE2 3.26Å; V121-I128 HydrophobicContact CG1-CG2 3.7Å | ||
| 122 | D | 75.6 | Confident | 68.4 | Low | 135 Ų | 135 | 95 Ų | 95 | 72% | 0.722 | 56% | 0.56 | S | S | * | * | trans | -79.7 | 133.4 | 169.8 | -67.9 | -37.5 | 0 | 0 | 0 | 109.4 | ||||
| 123 | Y | 65.2 | Low | 66 | Low | 146 Ų | 146 | 100.2 Ų | 100.2 | 57% | 0.573 | 58% | 0.583 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.9 | 119 | 174.5 | -59 | -86.2 | 0 | 0 | 0 | 107.7 | F91 V121 I128 | F91-Y123 HydrophobicContact CE1-CD1 4.47Å; F91-Y123 HydrophobicContact CE1-CG 4.47Å; V121-Y123 HydrophobicContact CB-CE2 4.42Å; V121-Y123 HydrophobicContact CG1-CE1 4.36Å; V121-Y123 WeakPolarHBondContact O-CD2 3.18Å; V121-Y123 WeakPolarHBondContact O-CE2 3.26Å; Y123-I128 HydrophobicContact CD1-CG1 4.27Å; Y123-I128 HydrophobicContact CE1-CD1 4.46Å; Y123-I128 HydrophobicContact CE1-CG1 3.97Å |
| 124 | D | 61.6 | Low | 63.1 | Low | 112 Ų | 112 | 106.1 Ų | 106.1 | 60% | 0.599 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.3 | 136.1 | 164.3 | -160.7 | 5.2 | 0 | 0 | 0 | 109.1 | G126 C127 I129 | D124-G126 PolarHBondContact O-N 3.1Å; D124-C127 PolarHBondContact O-N 2.97Å; D124-I129 HydrophobicContact CB-CD1 4.47Å |
| 125 | S | 53 | Low | 60.5 | Low | 112 Ų | 112 | 102.3 Ų | 102.3 | 78% | 0.783 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 16.2 | 65.9 | 177.8 | 64 | 0 | 0 | 0 | 0 | 116.8 | C127 | S125-C127 PolarHBondContact O-N 3.33Š|
| 126 | G | 52.2 | Low | 57.9 | Low | 51 Ų | 51 | 109.7 Ų | 109.7 | 53% | 0.526 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 82.8 | 3.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 117 | D124 | D124-G126 PolarHBondContact O-N 3.1Š|
| 127 | C | 46.5 | Very low | 56.5 | Low | 86 Ų | 86 | 112.1 Ų | 112.1 | 58% | 0.581 | 64% | 0.639 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.7 | 128.3 | 174.2 | -64.3 | 0 | 0 | 0 | 0 | 110.8 | D124 S125 I129 | D124-C127 PolarHBondContact O-N 2.97Å; S125-C127 PolarHBondContact O-N 3.33Å; C127-I129 PolarHBondContact O-N 2.87Å |
| 128 | I | 52.8 | Low | 54.9 | Low | 124 Ų | 124 | 113.6 Ų | 113.6 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.1 | 107 | 166.4 | -59.2 | -175.7 | 0 | 0 | 0 | 105.9 | V121 Y123 G130 | V121-I128 HydrophobicContact CG1-CG2 3.7Å; Y123-I128 HydrophobicContact CD1-CG1 4.27Å; Y123-I128 HydrophobicContact CE1-CD1 4.46Å; Y123-I128 HydrophobicContact CE1-CG1 3.97Å; I128-G130 PolarHBondContact O-N 3.1Å |
| 129 | I | 46.4 | Very low | 53.1 | Low | 107 Ų | 107 | 115.7 Ų | 115.7 | 55% | 0.549 | 66% | 0.66 | S | S | . | * | trans | -77.6 | 81.3 | 171.7 | -55 | 175 | 0 | 0 | 0 | 106.4 | D124 C127 S131 | D124-I129 HydrophobicContact CB-CD1 4.47Å; C127-I129 PolarHBondContact O-N 2.87Å; I129-S131 PolarHBondContact O-N 3.34Å; I129-S131 VanDerWaalsContact O-N 3.17Å | ||
| 130 | G | 42.9 | Very low | 51.1 | Low | 48 Ų | 48 | 117.5 Ų | 117.5 | 50% | 0.495 | 66% | 0.663 | S | S | . | * | trans | -71.7 | 106.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109 | I128 S132 | I128-G130 PolarHBondContact O-N 3.1Å; G130-S132 PolarHBondContact O-N 3.25Å | ||
| 131 | S | 35.8 | Very low | 48.9 | Very low | 84 Ų | 84 | 115.9 Ų | 115.9 | 59% | 0.587 | 66% | 0.663 | S | S | * | * | trans | -63.9 | 88.7 | 157.7 | 51.3 | 0 | 0 | 0 | 0 | 107.4 | I129 Q133 | I129-S131 PolarHBondContact O-N 3.34Å; I129-S131 VanDerWaalsContact O-N 3.17Å; S131-Q133 PolarHBondContact O-N 3.44Å | ||
| 132 | S | 36 | Very low | 46.7 | Very low | 108 Ų | 108 | 121 Ų | 121 | 76% | 0.755 | 69% | 0.692 | S | S | * | * | trans | -61.3 | 94.2 | 163.3 | -75.4 | 0 | 0 | 0 | 0 | 107.2 | G130 E134 | G130-S132 PolarHBondContact O-N 3.25Å; S132-E134 VanDerWaalsContact C-N 3.26Å; S132-E134 PolarHBondContact O-N 2.96Å | ||
| 133 | Q | 37.4 | Very low | 44.6 | Very low | 167 Ų | 167 | 120 Ų | 120 | 78% | 0.78 | 69% | 0.689 | S | S | * | * | trans | -69.1 | 97.1 | 156.8 | -73.9 | -169.4 | -15.9 | 0 | 0 | 106.4 | S131 V135 | S131-Q133 PolarHBondContact O-N 3.44Å; Q133-V135 VanDerWaalsContact C-N 3.32Å; Q133-V135 HydrophobicContact CB-CG2 4.3Å; Q133-V135 PolarHBondContact O-N 3.42Å; Q133-V135 VanDerWaalsContact O-N 3.09Å | ||
| 134 | E | 29.5 | Very low | 43 | Very low | 186 Ų | 186 | 118 Ų | 118 | 87% | 0.869 | 70% | 0.698 | S | S | * | * | trans | -61 | 100.5 | 153.1 | -71.3 | -174.8 | 151.5 | 0 | 0 | 106.6 | S132 | S132-E134 VanDerWaalsContact C-N 3.26Å; S132-E134 PolarHBondContact O-N 2.96Å | ||
| 135 | V | 35.2 | Very low | 41.5 | Very low | 112 Ų | 112 | 118.5 Ų | 118.5 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | trans | -89.4 | 108.7 | 165.4 | -177.5 | 0 | 0 | 0 | 0 | 106.2 | Q133 | Q133-V135 VanDerWaalsContact C-N 3.32Å; Q133-V135 HydrophobicContact CB-CG2 4.3Å; Q133-V135 PolarHBondContact O-N 3.42Å; Q133-V135 VanDerWaalsContact O-N 3.09Å | ||
| 136 | L | 30.2 | Very low | 40.4 | Very low | 237 Ų | 237 | 119.1 Ų | 119.1 | 100% | 1.241 | 70% | 0.7 | S | S | * | * | trans | -50.7 | 0 | 167.5 | -89.5 | 147.4 | 0 | 0 | 0 | 112.4 |
Retrieved 136 of 136 residues in 93.3 ms
(Link to these results)