| 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 | 48.3 | Very low | 47.4 | Very low | 248 Ų | 248 | 160.2 Ų | 160.2 | 100% | 1.222 | 85% | 0.851 | S | S | * | * | 0 | 37.4 | 0 | -78.2 | 170 | 159.1 | 0 | 0 | 112.6 | |||||
| 2 | L | 46.7 | Very low | 47.9 | Very low | 166 Ų | 166 | 153.6 Ų | 153.6 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | trans | -140.9 | 33.1 | -178.8 | -93.6 | 163.3 | 0 | 0 | 0 | 112.7 | ||||
| 3 | L | 43.5 | Very low | 48.1 | Very low | 178 Ų | 178 | 154.2 Ų | 154.2 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -141.7 | 47 | 174.6 | -88.5 | 161.5 | 0 | 0 | 0 | 110.5 | ||
| 4 | K | 41 | Very low | 48.4 | Very low | 206 Ų | 206 | 152.4 Ų | 152.4 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | trans | -141.2 | 43 | 176.7 | -96.7 | -179.5 | 173.7 | 166 | 0 | 111.8 | ||||
| 5 | V | 50.1 | Low | 48.7 | Very low | 128 Ų | 128 | 155.9 Ų | 155.9 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -126.2 | 19.3 | 179 | -164.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 6 | L | 47.6 | Very low | 49 | Very low | 175 Ų | 175 | 155.6 Ų | 155.6 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -132.5 | 34.6 | 175.3 | -66.9 | 174.9 | 0 | 0 | 0 | 113.2 | ||
| 7 | R | 46.8 | Very low | 49.4 | Very low | 247 Ų | 247 | 157.5 Ų | 157.5 | 93% | 0.932 | 79% | 0.785 | S | S | * | * | trans | -127.8 | 25.3 | 168.6 | -76.8 | -170.5 | 171.6 | -177.5 | -2.1 | 113.2 | ||||
| 8 | G | 40.8 | Very low | 50.5 | Low | 68 Ų | 68 | 153.8 Ų | 153.8 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -100.7 | 128.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 9 | C | 49.4 | Very low | 51.8 | Low | 90 Ų | 90 | 149.4 Ų | 149.4 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | trans | 72.8 | 66.2 | 170.9 | -70.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 10 | L | 52.6 | Low | 53.4 | Low | 159 Ų | 159 | 146.9 Ų | 146.9 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -77.1 | -4.2 | 152.4 | -95.4 | 89 | 0 | 0 | 0 | 113.5 | ||
| 11 | S | 54.7 | Low | 54.8 | Low | 97 Ų | 97 | 146.6 Ų | 146.6 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -86.4 | -26.5 | -178.7 | -161 | 0 | 0 | 0 | 0 | 113.8 | K13 | S11-K13 PolarHBondContact O-N 2.95Š|
| 12 | S | 53.2 | Low | 56.3 | Low | 81 Ų | 81 | 135.2 Ų | 135.2 | 57% | 0.566 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -9.6 | -175.3 | -53 | 0 | 0 | 0 | 0 | 114.7 | M14 | S12-M14 VanDerWaalsContact C-N 3.32Š|
| 13 | K | 50.7 | Low | 58.1 | Low | 162 Ų | 162 | 129.7 Ų | 129.7 | 70% | 0.704 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -10 | 176.9 | -63.3 | -172.6 | -177.9 | -177.3 | 0 | 113.4 | S11 | S11-K13 PolarHBondContact O-N 2.95Š|
| 14 | M | 52.8 | Low | 60.2 | Low | 128 Ų | 128 | 128.3 Ų | 128.3 | 63% | 0.631 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -80.1 | -27.2 | -176.2 | -152 | 117.9 | 95.9 | 0 | 0 | 113 | S12 Y16 R17 | S12-M14 VanDerWaalsContact C-N 3.32Å; M14-Y16 PolarHBondContact O-N 2.96Å; M14-R17 PolarHBondContact O-N 3.13Å |
| 15 | W | 52.5 | Low | 62.2 | Low | 206 Ų | 206 | 125 Ų | 125 | 78% | 0.78 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.2 | -31.7 | -179.3 | -75.4 | 77.1 | 0 | 0 | 0 | 113.4 | R17 S18 N19 | W15-R17 PolarHBondContact O-N 2.86Å; W15-S18 PolarHBondContact O-OG 3.33Å; W15-N19 PolarHBondContact O-N 3.44Å |
| 16 | Y | 53.8 | Low | 63.8 | Low | 150 Ų | 150 | 121 Ų | 121 | 59% | 0.588 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.4 | -28 | 176.8 | -149.7 | -113.9 | 0 | 0 | 0 | 110.7 | M14 V22 | M14-Y16 PolarHBondContact O-N 2.96Å; Y16-V22 HydrophobicContact CD1-CB 4.39Å; Y16-V22 HydrophobicContact CD1-CG1 3.1Å; Y16-V22 HydrophobicContact CD2-CB 4.23Å; Y16-V22 HydrophobicContact CD2-CG1 3.66Å; Y16-V22 HydrophobicContact CD2-CG2 3.68Å; Y16-V22 HydrophobicContact CE1-CB 4.13Å; Y16-V22 HydrophobicContact CE1-CG1 2.95Å; Y16-V22 HydrophobicContact CE1-CG2 4.26Å; Y16-V22 HydrophobicContact CE2-CB 3.94Å; Y16-V22 HydrophobicContact CE2-CG1 3.52Å; Y16-V22 HydrophobicContact CE2-CG2 3.2Å; Y16-V22 HydrophobicContact CG-CB 4.41Å; Y16-V22 HydrophobicContact CG-CG1 3.43Å; Y16-V22 VanDerWaalsContact CG-CG1 3.43Å; Y16-V22 HydrophobicContact CG-CG2 4.35Å; Y16-V22 VanDerWaalsContact CZ-CG2 3.49Å; Y16-V22 WeakPolarHBondContact O-CG1 3.47Å |
| 17 | R | 55.4 | Low | 65.7 | Low | 189 Ų | 189 | 118 Ų | 118 | 71% | 0.713 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -83 | -14.7 | -177.4 | -162.1 | 148 | 67.6 | -148.3 | 5.7 | 114.3 | M14 W15 | M14-R17 PolarHBondContact O-N 3.13Å; W15-R17 PolarHBondContact O-N 2.86Å |
| 18 | S | 69 | Low | 67.4 | Low | 90 Ų | 90 | 109.9 Ų | 109.9 | 63% | 0.629 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -2 | 173.2 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | W15 P20 | W15-S18 PolarHBondContact O-OG 3.33Å; S18-P20 VanDerWaalsContact O-CD 3.27Å; S18-P20 WeakPolarHBondContact O-CD 3.28Å |
| 19 | N | 76 | Confident | 69.6 | Low | 70 Ų | 70 | 110 Ų | 110 | 37% | 0.374 | 55% | 0.554 | S | S | . | * | trans | -87.9 | 109.5 | 176.5 | -174.8 | -19.9 | 0 | 0 | 0 | 109.6 | W15 F21 V22 T23 | W15-N19 PolarHBondContact O-N 3.44Å; N19-F21 PolarHBondContact O-N 3.09Å; N19-F21 WeakPolarHBondContact OD1-CB 3.46Å; N19-F21 PolarHBondContact OD1-N 2.8Å; N19-F21 VanDerWaalsContact OD1-N 3.08Å; N19-V22 HydrophobicContact CB-CB 3.96Å; N19-V22 HydrophobicContact CB-CG2 3.94Å; N19-V22 WeakPolarHBondContact O-CB 3.28Å; N19-V22 PolarHBondContact O-N 3.32Å; N19-V22 VanDerWaalsContact O-N 3.11Å; N19-T23 PolarHBondContact O-N 3.18Å; N19-T23 VanDerWaalsContact O-N 3.09Å; N19-T23 PolarHBondContact O-OG1 2.87Å | ||
| 20 | P | 82.2 | Confident | 71.1 | Confident | 100 Ų | 100 | 109.3 Ų | 109.3 | 65% | 0.649 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62 | -28.3 | -176.1 | 23.8 | -32.8 | 0 | 0 | 0 | 113.2 | S18 V22 T23 W24 | S18-P20 VanDerWaalsContact O-CD 3.27Å; S18-P20 WeakPolarHBondContact O-CD 3.28Å; P20-V22 VanDerWaalsContact C-N 3.34Å; P20-T23 WeakPolarHBondContact CA-OG1 2.97Å; P20-T23 PolarHBondContact O-OG1 3.11Å; P20-W24 WeakPolarHBondContact O-CB 3.33Å; P20-W24 PolarHBondContact O-N 3.2Å |
| 21 | F | 83.5 | Confident | 72.6 | Confident | 140 Ų | 140 | 106.7 Ų | 106.7 | 61% | 0.614 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.2 | -40.4 | 177.1 | -179.9 | -106 | 0 | 0 | 0 | 111.8 | N19 Y25 | N19-F21 PolarHBondContact O-N 3.09Å; N19-F21 WeakPolarHBondContact OD1-CB 3.46Å; N19-F21 PolarHBondContact OD1-N 2.8Å; N19-F21 VanDerWaalsContact OD1-N 3.08Å; F21-Y25 PolarHBondContact O-N 3.44Å |
| 22 | V | 80.3 | Confident | 74 | Confident | 10 Ų | 10 | 105.6 Ų | 105.6 | 6% | 0.061 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -71.6 | -45.4 | -178.8 | 156.7 | 0 | 0 | 0 | 0 | 111.9 | Y16 N19 P20 W24 Y25 A26 | Y16-V22 HydrophobicContact CD1-CB 4.39Å; Y16-V22 HydrophobicContact CD1-CG1 3.1Å; Y16-V22 HydrophobicContact CD2-CB 4.23Å; Y16-V22 HydrophobicContact CD2-CG1 3.66Å; Y16-V22 HydrophobicContact CD2-CG2 3.68Å; Y16-V22 HydrophobicContact CE1-CB 4.13Å; Y16-V22 HydrophobicContact CE1-CG1 2.95Å; Y16-V22 HydrophobicContact CE1-CG2 4.26Å; Y16-V22 HydrophobicContact CE2-CB 3.94Å; Y16-V22 HydrophobicContact CE2-CG1 3.52Å; Y16-V22 HydrophobicContact CE2-CG2 3.2Å; Y16-V22 HydrophobicContact CG-CB 4.41Å; Y16-V22 HydrophobicContact CG-CG1 3.43Å; Y16-V22 VanDerWaalsContact CG-CG1 3.43Å; Y16-V22 HydrophobicContact CG-CG2 4.35Å; Y16-V22 VanDerWaalsContact CZ-CG2 3.49Å; Y16-V22 WeakPolarHBondContact O-CG1 3.47Å; N19-V22 HydrophobicContact CB-CB 3.96Å; N19-V22 HydrophobicContact CB-CG2 3.94Å; N19-V22 WeakPolarHBondContact O-CB 3.28Å; N19-V22 PolarHBondContact O-N 3.32Å; N19-V22 VanDerWaalsContact O-N 3.11Å; P20-V22 VanDerWaalsContact C-N 3.34Å; V22-W24 VanDerWaalsContact C-N 3.31Å; V22-Y25 PolarHBondContact O-N 3.47Å; V22-A26 WeakPolarHBondContact O-CB 3.36Å; V22-A26 PolarHBondContact O-N 3.41Å |
| 23 | T | 83.3 | Confident | 75.2 | Confident | 50 Ų | 50 | 107.2 Ų | 107.2 | 31% | 0.307 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67 | -38 | 178.9 | 55.6 | 0 | 0 | 0 | 0 | 110.5 | N19 P20 A26 N27 | N19-T23 PolarHBondContact O-N 3.18Å; N19-T23 VanDerWaalsContact O-N 3.09Å; N19-T23 PolarHBondContact O-OG1 2.87Å; P20-T23 WeakPolarHBondContact CA-OG1 2.97Å; P20-T23 PolarHBondContact O-OG1 3.11Å; T23-A26 PolarHBondContact O-N 3.44Å; T23-N27 WeakPolarHBondContact O-CB 3.39Å; T23-N27 VanDerWaalsContact O-CG 3.23Å; T23-N27 PolarHBondContact O-N 2.91Å; T23-N27 PolarHBondContact O-ND2 2.93Å |
| 24 | W | 88.6 | Confident | 76.6 | Confident | 148 Ų | 148 | 102.7 Ų | 102.7 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.7 | -48.4 | 171.8 | 176.3 | 83 | 0 | 0 | 0 | 112 | P20 V22 N27 L28 | P20-W24 WeakPolarHBondContact O-CB 3.33Å; P20-W24 PolarHBondContact O-N 3.2Å; V22-W24 VanDerWaalsContact C-N 3.31Å; W24-N27 PolarHBondContact O-N 3.22Å; W24-L28 HydrophobicContact CD2-CD1 3.9Å; W24-L28 VanDerWaalsContact CE2-CD1 3.43Å; W24-L28 HydrophobicContact CE3-CD1 4Å; W24-L28 HydrophobicContact CH2-CD1 3.26Å; W24-L28 HydrophobicContact CZ2-CD1 3.13Å; W24-L28 HydrophobicContact CZ2-CG 4.34Å; W24-L28 HydrophobicContact CZ3-CD1 3.69Å; W24-L28 PolarHBondContact O-N 2.87Å |
| 25 | Y | 82.3 | Confident | 77.7 | Confident | 136 Ų | 136 | 99.5 Ų | 99.5 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -49.5 | 177.9 | -172.9 | -101.2 | 0 | 0 | 0 | 111.2 | F21 V22 N27 L28 V29 | F21-Y25 PolarHBondContact O-N 3.44Å; V22-Y25 PolarHBondContact O-N 3.47Å; Y25-N27 VanDerWaalsContact C-N 3.3Å; Y25-N27 PolarHBondContact O-N 3.4Å; Y25-L28 WeakPolarHBondContact O-CB 3.37Å; Y25-L28 PolarHBondContact O-N 2.99Å; Y25-L28 VanDerWaalsContact O-N 3.08Å; Y25-V29 HydrophobicContact CD1-CG2 3.73Å; Y25-V29 HydrophobicContact CE1-CG2 3.58Å; Y25-V29 HydrophobicContact CG-CG2 4.3Å; Y25-V29 WeakPolarHBondContact O-CG2 3.36Å; Y25-V29 PolarHBondContact O-N 2.97Å |
| 26 | A | 84.3 | Confident | 78.8 | Confident | 46 Ų | 46 | 92 Ų | 92 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58 | -39.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V22 T23 S30 | V22-A26 WeakPolarHBondContact O-CB 3.36Å; V22-A26 PolarHBondContact O-N 3.41Å; T23-A26 PolarHBondContact O-N 3.44Å; A26-S30 WeakPolarHBondContact O-CB 3.28Å; A26-S30 PolarHBondContact O-N 2.9Å; A26-S30 PolarHBondContact O-OG 2.78Å |
| 27 | N | 87 | Confident | 79.5 | Confident | 112 Ų | 112 | 89.1 Ų | 89.1 | 60% | 0.599 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.2 | -42.4 | 174.3 | -73 | -25.1 | 0 | 0 | 0 | 111.5 | T23 W24 Y25 V29 S30 D31 | T23-N27 WeakPolarHBondContact O-CB 3.39Å; T23-N27 VanDerWaalsContact O-CG 3.23Å; T23-N27 PolarHBondContact O-N 2.91Å; T23-N27 PolarHBondContact O-ND2 2.93Å; W24-N27 PolarHBondContact O-N 3.22Å; Y25-N27 VanDerWaalsContact C-N 3.3Å; Y25-N27 PolarHBondContact O-N 3.4Å; N27-V29 PolarHBondContact O-N 2.91Å; N27-S30 PolarHBondContact O-N 2.89Å; N27-D31 WeakPolarHBondContact O-CB 3.45Å; N27-D31 PolarHBondContact O-N 3.33Å |
| 28 | L | 83.7 | Confident | 80.2 | Confident | 76 Ų | 76 | 83.9 Ų | 83.9 | 40% | 0.398 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 175.2 | -107.6 | 174.1 | 0 | 0 | 0 | 112.4 | W24 Y25 S30 D31 S32 | W24-L28 HydrophobicContact CD2-CD1 3.9Å; W24-L28 VanDerWaalsContact CE2-CD1 3.43Å; W24-L28 HydrophobicContact CE3-CD1 4Å; W24-L28 HydrophobicContact CH2-CD1 3.26Å; W24-L28 HydrophobicContact CZ2-CD1 3.13Å; W24-L28 HydrophobicContact CZ2-CG 4.34Å; W24-L28 HydrophobicContact CZ3-CD1 3.69Å; W24-L28 PolarHBondContact O-N 2.87Å; Y25-L28 WeakPolarHBondContact O-CB 3.37Å; Y25-L28 PolarHBondContact O-N 2.99Å; Y25-L28 VanDerWaalsContact O-N 3.08Å; L28-S30 VanDerWaalsContact C-N 3.28Å; L28-S30 PolarHBondContact O-N 3.35Å; L28-D31 PolarHBondContact O-N 3.44Å; L28-S32 VanDerWaalsContact O-CB 3.22Å; L28-S32 WeakPolarHBondContact O-CB 3.34Å; L28-S32 PolarHBondContact O-N 3.49Å |
| 29 | V | 85.4 | Confident | 79.9 | Confident | 71 Ų | 71 | 87.7 Ų | 87.7 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.1 | -36 | 177.6 | -145.4 | 0 | 0 | 0 | 0 | 110.6 | Y25 N27 L33 | Y25-V29 HydrophobicContact CD1-CG2 3.73Å; Y25-V29 HydrophobicContact CE1-CG2 3.58Å; Y25-V29 HydrophobicContact CG-CG2 4.3Å; Y25-V29 WeakPolarHBondContact O-CG2 3.36Å; Y25-V29 PolarHBondContact O-N 2.97Å; N27-V29 PolarHBondContact O-N 2.91Å; V29-L33 VanDerWaalsContact O-CB 3.24Å; V29-L33 WeakPolarHBondContact O-CB 3.49Å; V29-L33 PolarHBondContact O-N 3.23Å |
| 30 | S | 82.7 | Confident | 79.3 | Confident | 74 Ų | 74 | 94.6 Ų | 94.6 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 177 | -60 | 0 | 0 | 0 | 0 | 112.2 | A26 N27 L28 L33 S34 | A26-S30 WeakPolarHBondContact O-CB 3.28Å; A26-S30 PolarHBondContact O-N 2.9Å; A26-S30 PolarHBondContact O-OG 2.78Å; N27-S30 PolarHBondContact O-N 2.89Å; L28-S30 VanDerWaalsContact C-N 3.28Å; L28-S30 PolarHBondContact O-N 3.35Å; S30-L33 PolarHBondContact O-N 3.12Å; S30-S34 WeakPolarHBondContact O-CB 3.39Å; S30-S34 PolarHBondContact O-N 3.29Å; S30-S34 PolarHBondContact O-OG 2.84Å |
| 31 | D | 83.3 | Confident | 78.1 | Confident | 105 Ų | 105 | 92.6 Ų | 92.6 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.8 | -46.3 | 176.7 | -172.6 | 68 | 0 | 0 | 0 | 111 | N27 L28 L33 S34 S35 | N27-D31 WeakPolarHBondContact O-CB 3.45Å; N27-D31 PolarHBondContact O-N 3.33Å; L28-D31 PolarHBondContact O-N 3.44Å; D31-L33 VanDerWaalsContact C-N 3.32Å; D31-L33 PolarHBondContact O-N 3.25Å; D31-S34 WeakPolarHBondContact CA-OG 3.49Å; D31-S34 PolarHBondContact O-N 3.48Å; D31-S34 PolarHBondContact O-OG 3.39Å; D31-S35 PolarHBondContact O-N 2.68Å; D31-S35 PolarHBondContact O-OG 2.7Å |
| 32 | S | 83.1 | Confident | 76.9 | Confident | 73 Ų | 73 | 91 Ų | 91 | 51% | 0.51 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 174.4 | -176.4 | 0 | 0 | 0 | 0 | 112.6 | L28 S35 A36 | L28-S32 VanDerWaalsContact O-CB 3.22Å; L28-S32 WeakPolarHBondContact O-CB 3.34Å; L28-S32 PolarHBondContact O-N 3.49Å; S32-S35 VanDerWaalsContact CA-OG 3.3Å; S32-S35 WeakPolarHBondContact CA-OG 3.17Å; S32-S35 PolarHBondContact O-OG 3.26Å; S32-A36 WeakPolarHBondContact O-CB 3.45Å; S32-A36 PolarHBondContact O-N 2.81Å; S32-A36 VanDerWaalsContact O-N 3.15Å |
| 33 | L | 80.3 | Confident | 75.9 | Confident | 115 Ų | 115 | 95.6 Ų | 95.6 | 60% | 0.602 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.6 | -42.3 | 174.2 | -176 | 64 | 0 | 0 | 0 | 110.9 | V29 S30 D31 S35 A36 V37 | V29-L33 VanDerWaalsContact O-CB 3.24Å; V29-L33 WeakPolarHBondContact O-CB 3.49Å; V29-L33 PolarHBondContact O-N 3.23Å; S30-L33 PolarHBondContact O-N 3.12Å; D31-L33 VanDerWaalsContact C-N 3.32Å; D31-L33 PolarHBondContact O-N 3.25Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-S35 PolarHBondContact O-N 2.85Å; L33-A36 PolarHBondContact O-N 2.9Å; L33-V37 HydrophobicContact CD1-CG2 4.2Å; L33-V37 HydrophobicContact CG-CG2 4.29Å; L33-V37 WeakPolarHBondContact O-CG2 3.39Å; L33-V37 PolarHBondContact O-N 3.26Å |
| 34 | S | 78.8 | Confident | 74.7 | Confident | 67 Ų | 67 | 99.1 Ų | 99.1 | 47% | 0.469 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 179.3 | 66.5 | 0 | 0 | 0 | 0 | 112.8 | S30 D31 V37 A38 | S30-S34 WeakPolarHBondContact O-CB 3.39Å; S30-S34 PolarHBondContact O-N 3.29Å; S30-S34 PolarHBondContact O-OG 2.84Å; D31-S34 WeakPolarHBondContact CA-OG 3.49Å; D31-S34 PolarHBondContact O-N 3.48Å; D31-S34 PolarHBondContact O-OG 3.39Å; S34-V37 PolarHBondContact O-N 3.3Å; S34-A38 WeakPolarHBondContact O-CB 3.29Å; S34-A38 PolarHBondContact O-N 3.41Å |
| 35 | S | 76.2 | Confident | 73.3 | Confident | 61 Ų | 61 | 99.2 Ų | 99.2 | 43% | 0.427 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.5 | -40.5 | 174 | 40.5 | 0 | 0 | 0 | 0 | 111.6 | D31 S32 L33 A38 | D31-S35 PolarHBondContact O-N 2.68Å; D31-S35 PolarHBondContact O-OG 2.7Å; S32-S35 VanDerWaalsContact CA-OG 3.3Å; S32-S35 WeakPolarHBondContact CA-OG 3.17Å; S32-S35 PolarHBondContact O-OG 3.26Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-S35 PolarHBondContact O-N 2.85Å; S35-A38 PolarHBondContact O-N 3.46Å |
| 36 | A | 75.2 | Confident | 72.3 | Confident | 50 Ų | 50 | 98.9 Ų | 98.9 | 41% | 0.413 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.1 | -37.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S32 L33 | S32-A36 WeakPolarHBondContact O-CB 3.45Å; S32-A36 PolarHBondContact O-N 2.81Å; S32-A36 VanDerWaalsContact O-N 3.15Å; L33-A36 PolarHBondContact O-N 2.9Å |
| 37 | V | 69.6 | Low | 71.7 | Confident | 88 Ų | 88 | 103.3 Ų | 103.3 | 53% | 0.533 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -75.4 | -30.1 | 179 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | L33 S34 E39 W40 | L33-V37 HydrophobicContact CD1-CG2 4.2Å; L33-V37 HydrophobicContact CG-CG2 4.29Å; L33-V37 WeakPolarHBondContact O-CG2 3.39Å; L33-V37 PolarHBondContact O-N 3.26Å; S34-V37 PolarHBondContact O-N 3.3Å; V37-E39 PolarHBondContact O-N 2.88Å; V37-W40 PolarHBondContact O-N 3.2Å; V37-W40 VanDerWaalsContact O-N 3.08Å |
| 38 | A | 68.6 | Low | 71.6 | Confident | 80 Ų | 80 | 100 Ų | 100 | 66% | 0.661 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.7 | -27.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | S34 S35 W40 | S34-A38 WeakPolarHBondContact O-CB 3.29Å; S34-A38 PolarHBondContact O-N 3.41Å; S35-A38 PolarHBondContact O-N 3.46Å; A38-W40 VanDerWaalsContact C-N 3.34Å |
| 39 | E | 64.1 | Low | 72 | Confident | 170 Ų | 170 | 99.4 Ų | 99.4 | 79% | 0.794 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -16.6 | 174.9 | -65.5 | -166.6 | 160.8 | 0 | 0 | 113.1 | V37 G41 | V37-E39 PolarHBondContact O-N 2.88Å; E39-G41 PolarHBondContact O-N 2.86Å |
| 40 | W | 62.5 | Low | 72.5 | Confident | 215 Ų | 215 | 96 Ų | 96 | 81% | 0.814 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -94.1 | 59 | 178 | -64.8 | 15.4 | 0 | 0 | 0 | 109.4 | V37 A38 D42 | V37-W40 PolarHBondContact O-N 3.2Å; V37-W40 VanDerWaalsContact O-N 3.08Å; A38-W40 VanDerWaalsContact C-N 3.34Å; W40-D42 PolarHBondContact O-N 3.36Å; W40-D42 VanDerWaalsContact O-N 3.13Å |
| 41 | G | 57 | Low | 72.9 | Confident | 58 Ų | 58 | 97.4 Ų | 97.4 | 60% | 0.598 | 53% | 0.525 | S | S | * | . | trans | -73 | 97.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E39 D43 | E39-G41 PolarHBondContact O-N 2.86Å; G41-D43 PolarHBondContact O-N 3.1Å | ||
| 42 | D | 59.3 | Low | 73.4 | Confident | 105 Ų | 105 | 96.9 Ų | 96.9 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | trans | 44 | 65.5 | 152.9 | -151.2 | 34.9 | 0 | 0 | 0 | 118.2 | W40 Q44 | W40-D42 PolarHBondContact O-N 3.36Å; W40-D42 VanDerWaalsContact O-N 3.13Å; D42-Q44 PolarHBondContact O-N 3.19Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.28Å; D42-Q44 WeakPolarHBondContact OD1-CG 3.14Å; D42-Q44 PolarHBondContact OD1-NE2 2.73Å | ||
| 43 | D | 58.6 | Low | 73.9 | Confident | 108 Ų | 108 | 95.6 Ų | 95.6 | 58% | 0.578 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 15.2 | 165.7 | -56.6 | -43.7 | 0 | 0 | 0 | 113.6 | G41 E45 E46 Q47 | G41-D43 PolarHBondContact O-N 3.1Å; D43-E45 PolarHBondContact O-N 3.37Å; D43-E46 PolarHBondContact O-N 3.21Å; D43-E46 VanDerWaalsContact O-N 3.15Å; D43-Q47 PolarHBondContact O-N 2.76Å; D43-Q47 VanDerWaalsContact O-N 3.16Å |
| 44 | Q | 59.2 | Low | 74.6 | Confident | 123 Ų | 123 | 94.9 Ų | 94.9 | 58% | 0.575 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.2 | -32.9 | -178.7 | -79.6 | -177.4 | 52.3 | 0 | 0 | 112.1 | D42 E46 Q47 D48 | D42-Q44 PolarHBondContact O-N 3.19Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.28Å; D42-Q44 WeakPolarHBondContact OD1-CG 3.14Å; D42-Q44 PolarHBondContact OD1-NE2 2.73Å; Q44-E46 VanDerWaalsContact C-N 3.33Å; Q44-E46 PolarHBondContact O-N 3.48Å; Q44-Q47 PolarHBondContact O-N 2.87Å; Q44-D48 PolarHBondContact O-N 3.29Å |
| 45 | E | 58.9 | Low | 75.2 | Confident | 150 Ų | 150 | 97.3 Ų | 97.3 | 70% | 0.701 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.9 | -37.7 | 175.9 | -66.9 | -162.3 | 153.9 | 0 | 0 | 112 | D43 D48 | D43-E45 PolarHBondContact O-N 3.37Å; E45-D48 PolarHBondContact O-N 3.17Å |
| 46 | E | 61.3 | Low | 76 | Confident | 129 Ų | 129 | 97 Ų | 97 | 60% | 0.603 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.9 | -36.9 | 174.2 | -89.4 | -163.5 | 172.9 | 0 | 0 | 111.8 | D43 Q44 D48 E49 K51 | D43-E46 PolarHBondContact O-N 3.21Å; D43-E46 VanDerWaalsContact O-N 3.15Å; Q44-E46 VanDerWaalsContact C-N 3.33Å; Q44-E46 PolarHBondContact O-N 3.48Å; E46-D48 PolarHBondContact O-N 2.66Å; E46-E49 PolarHBondContact O-N 3.34Å; E46-K51 PolarHBondContact O-NZ 2.91Å |
| 47 | Q | 70.7 | Confident | 76.9 | Confident | 140 Ų | 140 | 102.7 Ų | 102.7 | 65% | 0.654 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.1 | -28.8 | 177.3 | -68.9 | -173.7 | 22.3 | 0 | 0 | 112.3 | D43 Q44 E49 | D43-Q47 PolarHBondContact O-N 2.76Å; D43-Q47 VanDerWaalsContact O-N 3.16Å; Q44-Q47 PolarHBondContact O-N 2.87Å; Q47-E49 VanDerWaalsContact C-N 3.3Å; Q47-E49 PolarHBondContact O-N 3.48Å |
| 48 | D | 85.4 | Confident | 78.1 | Confident | 42 Ų | 42 | 99.1 Ų | 99.1 | 23% | 0.225 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -0.3 | 178.4 | -93.3 | -7.1 | 0 | 0 | 0 | 113.6 | Q44 E45 E46 R57 V58 K100 | Q44-D48 PolarHBondContact O-N 3.29Å; E45-D48 PolarHBondContact O-N 3.17Å; E46-D48 PolarHBondContact O-N 2.66Å; D48-R57 CarbonylContact O-C 3.37Å; D48-R57 WeakPolarHBondContact O-CA 3.41Å; D48-R57 WeakPolarHBondContact O-CB 3.19Å; D48-V58 PolarHBondContact O-N 3.43Å; D48-K100 IonicContact OD1-NZ 2.68Å; D48-K100 PolarHBondContact OD1-NZ 2.68Å; D48-K100 IonicContact OD2-NZ 2.76Å; D48-K100 PolarHBondContact OD2-NZ 3.21Å |
| 49 | E | 92.8 | Very high | 79.4 | Confident | 64 Ų | 64 | 97.2 Ų | 97.2 | 30% | 0.299 | 48% | 0.484 | S | S | . | . | B | Isolated β-bridge | trans | -94.7 | 138.7 | 179.1 | -167 | 172.9 | -150.7 | 0 | 0 | 113.4 | E46 Q47 K51 M54 V55 V58 | E46-E49 PolarHBondContact O-N 3.34Å; Q47-E49 VanDerWaalsContact C-N 3.3Å; Q47-E49 PolarHBondContact O-N 3.48Å; E49-K51 PolarHBondContact O-N 3.24Å; E49-K51 VanDerWaalsContact O-N 3.1Å; E49-M54 WeakPolarHBondContact OE1-CA 3.08Å; E49-M54 VanDerWaalsContact OE1-O 3.07Å; E49-V55 PolarHBondContact OE1-N 3.17Å; E49-V58 VanDerWaalsContact C-CG2 3.49Å; E49-V58 WeakPolarHBondContact O-CG2 3.42Å |
| 50 | C | 94.8 | Very high | 80.9 | Confident | 0 Ų | 0 | 89.1 Ų | 89.1 | 0% | 0 | 45% | 0.446 | C | S | . | . | trans | -63.6 | 113.3 | 178.1 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | I52 C53 M54 S56 C71 | C50-I52 PolarHBondContact O-N 2.75Å; C50-C53 PolarHBondContact O-N 3.45Å; C50-M54 WeakPolarHBondContact O-CA 3.47Å; C50-M54 PolarHBondContact O-N 3.15Å; C50-M54 VanDerWaalsContact O-SD 3.42Å; C50-S56 WeakPolarHBondContact CB-O 3.26Å; C50-S56 PolarHBondContact N-O 3.08Å; C50-C71 HydrophobicContact CB-CB 3.82Å; C50-C71 PolarHBondContact SG-N 3.31Å | ||
| 51 | K | 91.3 | Very high | 82.5 | Confident | 103 Ų | 103 | 79.4 Ų | 79.4 | 45% | 0.448 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 1.2 | -177.8 | -53.7 | -59.3 | 174.4 | -173.2 | 0 | 116 | E46 E49 M54 S69 | E46-K51 PolarHBondContact O-NZ 2.91Å; E49-K51 PolarHBondContact O-N 3.24Å; E49-K51 VanDerWaalsContact O-N 3.1Å; K51-M54 HydrophobicContact CB-CE 4.35Å; K51-M54 HydrophobicContact CD-CE 4.38Å; K51-M54 WeakPolarHBondContact O-CE 3.28Å; K51-S69 PolarHBondContact N-O 3.16Å |
| 52 | I | 93.5 | Very high | 84.4 | Confident | 93 Ų | 93 | 76.7 Ų | 76.7 | 48% | 0.477 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -56.5 | 176.3 | -63.9 | -172.4 | 0 | 0 | 0 | 111.5 | C50 M70 C74 | C50-I52 PolarHBondContact O-N 2.75Å; I52-M70 HydrophobicContact CD1-CE 3.71Å; I52-M70 HydrophobicContact CD1-CG 4.33Å; I52-M70 HydrophobicContact CD1-SD 3.28Å; I52-M70 WeakPolarHBondContact CD1-SD 3.35Å; I52-M70 HydrophobicContact CG1-SD 3.99Å; I52-C74 HydrophobicContact CB-CB 4.06Å; I52-C74 HydrophobicContact CD1-CB 4.14Å; I52-C74 HydrophobicContact CG2-CB 4.22Å |
| 53 | C | 94.8 | Very high | 86.2 | Confident | 46 Ų | 46 | 77.1 Ų | 77.1 | 31% | 0.311 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -25 | -177.9 | 63.8 | 0 | 0 | 0 | 0 | 113.9 | C50 V55 | C50-C53 PolarHBondContact O-N 3.45Å; C53-V55 WeakPolarHBondContact O-CG2 3.13Å; C53-V55 PolarHBondContact O-N 3.13Å |
| 54 | M | 93.3 | Very high | 88 | Confident | 101 Ų | 101 | 75.1 Ų | 75.1 | 50% | 0.498 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 50.6 | 43.1 | -173.7 | -47.9 | -62.5 | -171.7 | 0 | 0 | 112.2 | E49 C50 K51 | E49-M54 WeakPolarHBondContact OE1-CA 3.08Å; E49-M54 VanDerWaalsContact OE1-O 3.07Å; C50-M54 WeakPolarHBondContact O-CA 3.47Å; C50-M54 PolarHBondContact O-N 3.15Å; C50-M54 VanDerWaalsContact O-SD 3.42Å; K51-M54 HydrophobicContact CB-CE 4.35Å; K51-M54 HydrophobicContact CD-CE 4.38Å; K51-M54 WeakPolarHBondContact O-CE 3.28Å |
| 55 | V | 92 | Very high | 89.8 | Confident | 118 Ų | 118 | 70.7 Ų | 70.7 | 72% | 0.715 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -137.8 | -44.5 | 179.9 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | E49 C53 | E49-V55 PolarHBondContact OE1-N 3.17Å; C53-V55 WeakPolarHBondContact O-CG2 3.13Å; C53-V55 PolarHBondContact O-N 3.13Å |
| 56 | S | 93.3 | Very high | 91.6 | Very high | 53 Ų | 53 | 65.8 Ų | 65.8 | 37% | 0.371 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -104.6 | 151.1 | -177.8 | -53.5 | 0 | 0 | 0 | 0 | 110.8 | C50 | C50-S56 WeakPolarHBondContact CB-O 3.26Å; C50-S56 PolarHBondContact N-O 3.08Å |
| 57 | R | 93.5 | Very high | 93.2 | Very high | 170 Ų | 170 | 62.9 Ų | 62.9 | 64% | 0.642 | 33% | 0.329 | S | S | * | . | B | Isolated β-bridge | trans | -68.7 | 155.8 | 173.4 | -65.9 | -173.4 | 179.9 | -163.4 | -3.2 | 112.2 | D48 D59 C71 | D48-R57 CarbonylContact O-C 3.37Å; D48-R57 WeakPolarHBondContact O-CA 3.41Å; D48-R57 WeakPolarHBondContact O-CB 3.19Å; R57-D59 PolarHBondContact O-N 3.31Å; R57-C71 VanDerWaalsContact O-CB 3.28Å; R57-C71 WeakPolarHBondContact O-CB 3.35Å |
| 58 | V | 95 | Very high | 94.4 | Very high | 13 Ų | 13 | 63.2 Ų | 63.2 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | trans | -68.7 | 107.8 | 172.8 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | D48 E49 Y68 | D48-V58 PolarHBondContact O-N 3.43Å; E49-V58 VanDerWaalsContact C-CG2 3.49Å; E49-V58 WeakPolarHBondContact O-CG2 3.42Å; V58-Y68 HydrophobicContact CG1-CD2 3.8Å; V58-Y68 HydrophobicContact CG1-CG 4.43Å | ||
| 59 | D | 95.7 | Very high | 94.7 | Very high | 40 Ų | 40 | 62.2 Ų | 62.2 | 21% | 0.214 | 32% | 0.322 | C | S | . | . | trans | -127.9 | 23.4 | -179.5 | 70.4 | -21.9 | 0 | 0 | 0 | 111.7 | R57 C71 Y72 K97 I98 | R57-D59 PolarHBondContact O-N 3.31Å; D59-C71 WeakPolarHBondContact OD1-CA 3.02Å; D59-Y72 PolarHBondContact OD1-N 3.03Å; D59-K97 CarbonylContact O-C 3.55Å; D59-K97 WeakPolarHBondContact O-CA 3.16Å; D59-K97 WeakPolarHBondContact O-CG 3.38Å; D59-K97 WeakPolarHBondContact OD2-CE 3.27Å; D59-K97 IonicContact OD2-NZ 3.74Å; D59-I98 PolarHBondContact O-N 2.98Å | ||
| 60 | S | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 146.9 | 180 | 72.9 | 0 | 0 | 0 | 0 | 114.9 | Y68 M70 A75 L96 | S60-Y68 WeakPolarHBondContact O-CA 3.06Å; S60-Y68 WeakPolarHBondContact O-CB 3.37Å; S60-M70 PolarHBondContact N-O 3.15Å; S60-M70 PolarHBondContact OG-O 2.77Å; S60-A75 WeakPolarHBondContact OG-CB 3.05Å; S60-L96 CarbonylContact C-O 3.54Å; S60-L96 WeakPolarHBondContact CA-O 3.11Å; S60-L96 WeakPolarHBondContact CB-O 3.38Å |
| 61 | A | 96.3 | Very high | 94.9 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 150.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | H67 L96 I98 | A61-H67 WeakPolarHBondContact CA-O 3.43Å; A61-L96 PolarHBondContact N-O 3.08Å; A61-L96 PolarHBondContact O-N 3.11Å; A61-I98 HydrophobicContact CB-CD1 3.71Å; A61-I98 HydrophobicContact CB-CG1 4.29Å |
| 62 | F | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 122.2 | 179 | -58.6 | -63 | 0 | 0 | 0 | 111.9 | C65 G66 H67 M70 A75 C85 P86 I92 V95 | F62-C65 PolarHBondContact O-N 3.48Å; F62-C65 PolarHBondContact O-SG 2.9Å; F62-C65 VanDerWaalsContact O-SG 3.33Å; F62-G66 PolarHBondContact O-N 3.18Å; F62-H67 VanDerWaalsContact CD2-O 3.26Å; F62-H67 WeakPolarHBondContact CD2-O 3.46Å; F62-H67 PolarHBondContact N-O 3.26Å; F62-M70 HydrophobicContact CE1-CE 4.16Å; F62-M70 HydrophobicContact CE2-SD 4.42Å; F62-M70 HydrophobicContact CZ-CE 3.5Å; F62-M70 HydrophobicContact CZ-CG 4.29Å; F62-M70 HydrophobicContact CZ-SD 3.87Å; F62-A75 HydrophobicContact CE1-CB 3.9Å; F62-A75 HydrophobicContact CZ-CB 4.28Å; F62-C85 HydrophobicContact CD2-CB 4.4Å; F62-P86 HydrophobicContact CE2-CG 3.75Å; F62-P86 HydrophobicContact CZ-CG 4.16Å; F62-I92 HydrophobicContact CB-CG1 4.16Å; F62-I92 HydrophobicContact CB-CG2 4.41Å; F62-I92 HydrophobicContact CD1-CD1 3.42Å; F62-I92 VanDerWaalsContact CD1-CD1 3.42Å; F62-I92 HydrophobicContact CD1-CG1 3.96Å; F62-I92 HydrophobicContact CD1-CG2 4.11Å; F62-I92 HydrophobicContact CE1-CD1 3.67Å; F62-I92 HydrophobicContact CG-CD1 4Å; F62-I92 HydrophobicContact CG-CG1 4.19Å; F62-I92 HydrophobicContact CZ-CD1 4.44Å; F62-V95 HydrophobicContact CD1-CG2 4.29Å; F62-V95 HydrophobicContact CE1-CG2 4.49Å |
| 63 | Y | 97 | Very high | 95.4 | Very high | 115 Ų | 115 | 57 Ų | 57 | 45% | 0.451 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 136.3 | 173.5 | -177.1 | -102.9 | 0 | 0 | 0 | 110.7 | R93 D94 | Y63-R93 HydrophobicContact CD1-CB 3.86Å; Y63-R93 HydrophobicContact CE1-CB 4.37Å; Y63-R93 PolarHBondContact O-N 3.48Å; Y63-D94 HydrophobicContact CD1-CB 4.49Å; Y63-D94 PolarHBondContact N-O 3.28Å |
| 64 | P | 96.6 | Very high | 95.5 | Very high | 65 Ų | 65 | 55.4 Ų | 55.4 | 42% | 0.422 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -95.1 | 0.1 | 5.7 | 37.1 | -35.9 | 0 | 0 | 0 | 115.4 | G66 | P64-G66 VanDerWaalsContact C-N 3.32Å; P64-G66 PolarHBondContact O-N 2.82Å |
| 65 | C | 96.9 | Very high | 95.7 | Very high | 30 Ų | 30 | 50.6 Ų | 50.6 | 20% | 0.203 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -20.2 | -172.7 | 59.1 | 0 | 0 | 0 | 0 | 115 | F62 H67 C85 K90 | F62-C65 PolarHBondContact O-N 3.48Å; F62-C65 PolarHBondContact O-SG 2.9Å; F62-C65 VanDerWaalsContact O-SG 3.33Å; C65-H67 PolarHBondContact O-N 3.45Å; C65-C85 VanDerWaalsContact SG-SG 3.67Å; C65-K90 HydrophobicContact CB-CD 4.33Å |
| 66 | G | 95.6 | Very high | 95.9 | Very high | 48 Ų | 48 | 48.8 Ų | 48.8 | 50% | 0.495 | 25% | 0.25 | S | S | . | . | trans | 78.3 | -8.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F62 P64 | F62-G66 PolarHBondContact O-N 3.18Å; P64-G66 VanDerWaalsContact C-N 3.32Å; P64-G66 PolarHBondContact O-N 2.82Å | ||
| 67 | H | 96 | Very high | 96 | Very high | 67 Ų | 67 | 50.6 Ų | 50.6 | 31% | 0.31 | 26% | 0.255 | S | S | . | . | trans | -62.5 | 138.6 | 177.2 | -69.8 | 121.5 | 0 | 0 | 0 | 112.4 | A61 F62 C65 I87 C88 | A61-H67 WeakPolarHBondContact CA-O 3.43Å; F62-H67 VanDerWaalsContact CD2-O 3.26Å; F62-H67 WeakPolarHBondContact CD2-O 3.46Å; F62-H67 PolarHBondContact N-O 3.26Å; C65-H67 PolarHBondContact O-N 3.45Å; H67-I87 HydrophobicContact CB-CB 4.16Å; H67-I87 HydrophobicContact CB-CD1 3.74Å; H67-I87 HydrophobicContact CB-CG1 4.12Å; H67-C88 VanDerWaalsContact CE1-CB 3.41Å; H67-C88 WeakPolarHBondContact CE1-CB 3.35Å; H67-C88 VanDerWaalsContact CE1-SG 3.56Å; H67-C88 PolarHBondContact ND1-SG 3.09Å | ||
| 68 | Y | 94.3 | Very high | 96.1 | Very high | 147 Ų | 147 | 43.2 Ų | 43.2 | 58% | 0.576 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 135.1 | 175 | 57.9 | -84.2 | 0 | 0 | 0 | 109.2 | V58 S60 | V58-Y68 HydrophobicContact CG1-CD2 3.8Å; V58-Y68 HydrophobicContact CG1-CG 4.43Å; S60-Y68 WeakPolarHBondContact O-CA 3.06Å; S60-Y68 WeakPolarHBondContact O-CB 3.37Å |
| 69 | S | 93.3 | Very high | 96.2 | Very high | 22 Ų | 22 | 46 Ų | 46 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | -1 | 179.1 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | K51 | K51-S69 PolarHBondContact N-O 3.16Å |
| 70 | M | 95 | Very high | 96.2 | Very high | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 157.2 | -166.1 | -26.7 | -172.6 | -37.5 | 0 | 0 | 110.2 | I52 S60 F62 C74 A75 T78 P86 | I52-M70 HydrophobicContact CD1-CE 3.71Å; I52-M70 HydrophobicContact CD1-CG 4.33Å; I52-M70 HydrophobicContact CD1-SD 3.28Å; I52-M70 WeakPolarHBondContact CD1-SD 3.35Å; I52-M70 HydrophobicContact CG1-SD 3.99Å; S60-M70 PolarHBondContact N-O 3.15Å; S60-M70 PolarHBondContact OG-O 2.77Å; F62-M70 HydrophobicContact CE1-CE 4.16Å; F62-M70 HydrophobicContact CE2-SD 4.42Å; F62-M70 HydrophobicContact CZ-CE 3.5Å; F62-M70 HydrophobicContact CZ-CG 4.29Å; F62-M70 HydrophobicContact CZ-SD 3.87Å; M70-C74 HydrophobicContact CB-CB 4.18Å; M70-C74 VanDerWaalsContact CE-C 3.44Å; M70-C74 HydrophobicContact CE-CB 4.33Å; M70-C74 WeakPolarHBondContact CE-O 3.41Å; M70-A75 HydrophobicContact CE-CB 3.74Å; M70-A75 VanDerWaalsContact CE-N 3.32Å; M70-T78 HydrophobicContact CE-CG2 4.37Å; M70-T78 VanDerWaalsContact CE-OG1 3.29Å; M70-T78 WeakPolarHBondContact CE-OG1 3.37Å; M70-P86 HydrophobicContact SD-CG 3.99Å |
| 71 | C | 96.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.02 | 30% | 0.301 | C | S | . | . | trans | -71.6 | 158.5 | 169.5 | 69.3 | 0 | 0 | 0 | 0 | 111 | C50 R57 D59 C74 A75 | C50-C71 HydrophobicContact CB-CB 3.82Å; C50-C71 PolarHBondContact SG-N 3.31Å; R57-C71 VanDerWaalsContact O-CB 3.28Å; R57-C71 WeakPolarHBondContact O-CB 3.35Å; D59-C71 WeakPolarHBondContact OD1-CA 3.02Å; C71-C74 PolarHBondContact O-N 2.91Å; C71-C74 VanDerWaalsContact O-N 3.12Å; C71-C74 PolarHBondContact SG-SG 2.86Å; C71-A75 WeakPolarHBondContact O-CB 3.33Å; C71-A75 PolarHBondContact O-N 3.25Å | ||
| 72 | Y | 96.9 | Very high | 96 | Very high | 61 Ų | 61 | 67.4 Ų | 67.4 | 24% | 0.239 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.8 | -41.8 | -174.7 | -172.2 | -104.3 | 0 | 0 | 0 | 114.2 | D59 A75 K76 V95 K97 | D59-Y72 PolarHBondContact OD1-N 3.03Å; Y72-A75 PolarHBondContact O-N 2.86Å; Y72-K76 HydrophobicContact CE1-CD 4.23Å; Y72-K76 PolarHBondContact O-N 2.8Å; Y72-K76 WeakPolarHBondContact OH-CE 3.36Å; Y72-K76 PolarHBondContact OH-NZ 2.82Å; Y72-K76 VanDerWaalsContact OH-NZ 3.09Å; Y72-V95 HydrophobicContact CD2-CG1 3.95Å; Y72-V95 HydrophobicContact CE2-CG1 3.97Å; Y72-V95 WeakPolarHBondContact CE2-O 3.09Å; Y72-K97 HydrophobicContact CD1-CD 4.48Å; Y72-K97 HydrophobicContact CD2-CB 3.72Å; Y72-K97 HydrophobicContact CD2-CD 4.45Å; Y72-K97 HydrophobicContact CD2-CG 4.15Å; Y72-K97 HydrophobicContact CE2-CB 3.82Å; Y72-K97 HydrophobicContact CG-CB 4.36Å; Y72-K97 HydrophobicContact CG-CD 4.25Å; Y72-K97 HydrophobicContact CG-CG 4.34Å |
| 73 | P | 97.1 | Very high | 95.9 | Very high | 80 Ų | 80 | 68.3 Ų | 68.3 | 52% | 0.519 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 173.4 | -22 | 32.3 | 0 | 0 | 0 | 112.8 | A75 K76 L77 | P73-A75 VanDerWaalsContact C-N 3.32Å; P73-A75 PolarHBondContact O-N 2.75Å; P73-K76 PolarHBondContact O-N 3.4Å; P73-L77 PolarHBondContact O-N 3.2Å; P73-L77 VanDerWaalsContact O-N 3.11Å |
| 74 | C | 97.4 | Very high | 95.8 | Very high | 14 Ų | 14 | 65.4 Ų | 65.4 | 10% | 0.095 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64 | -39 | 177.6 | -71.8 | 0 | 0 | 0 | 0 | 111.1 | I52 M70 C71 L77 T78 | I52-C74 HydrophobicContact CB-CB 4.06Å; I52-C74 HydrophobicContact CD1-CB 4.14Å; I52-C74 HydrophobicContact CG2-CB 4.22Å; M70-C74 HydrophobicContact CB-CB 4.18Å; M70-C74 VanDerWaalsContact CE-C 3.44Å; M70-C74 HydrophobicContact CE-CB 4.33Å; M70-C74 WeakPolarHBondContact CE-O 3.41Å; C71-C74 PolarHBondContact O-N 2.91Å; C71-C74 VanDerWaalsContact O-N 3.12Å; C71-C74 PolarHBondContact SG-SG 2.86Å; C74-L77 WeakPolarHBondContact O-CB 3.44Å; C74-L77 PolarHBondContact O-N 3.03Å; C74-T78 PolarHBondContact O-N 3.43Å; C74-T78 PolarHBondContact O-OG1 3.4Å |
| 75 | A | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | S60 F62 M70 C71 Y72 P73 L77 T78 F79 V95 | S60-A75 WeakPolarHBondContact OG-CB 3.05Å; F62-A75 HydrophobicContact CE1-CB 3.9Å; F62-A75 HydrophobicContact CZ-CB 4.28Å; M70-A75 HydrophobicContact CE-CB 3.74Å; M70-A75 VanDerWaalsContact CE-N 3.32Å; C71-A75 WeakPolarHBondContact O-CB 3.33Å; C71-A75 PolarHBondContact O-N 3.25Å; Y72-A75 PolarHBondContact O-N 2.86Å; P73-A75 VanDerWaalsContact C-N 3.32Å; P73-A75 PolarHBondContact O-N 2.75Å; A75-L77 VanDerWaalsContact C-N 3.3Å; A75-L77 PolarHBondContact O-N 2.9Å; A75-T78 PolarHBondContact O-N 3.43Å; A75-F79 WeakPolarHBondContact O-CB 3.21Å; A75-F79 PolarHBondContact O-N 3.08Å; A75-V95 HydrophobicContact CB-CG1 3.49Å; A75-V95 VanDerWaalsContact CB-CG1 3.49Å; A75-V95 HydrophobicContact CB-CG2 4.5Å |
| 76 | K | 96.6 | Very high | 95.7 | Very high | 80 Ų | 80 | 64 Ų | 64 | 35% | 0.348 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 171.2 | -77.2 | -159.2 | -177.3 | 176.7 | 0 | 112.7 | Y72 P73 F79 R80 | Y72-K76 HydrophobicContact CE1-CD 4.23Å; Y72-K76 PolarHBondContact O-N 2.8Å; Y72-K76 WeakPolarHBondContact OH-CE 3.36Å; Y72-K76 PolarHBondContact OH-NZ 2.82Å; Y72-K76 VanDerWaalsContact OH-NZ 3.09Å; P73-K76 PolarHBondContact O-N 3.4Å; K76-F79 PolarHBondContact O-N 2.91Å; K76-R80 WeakPolarHBondContact O-CB 3.3Å; K76-R80 VanDerWaalsContact O-CG 3.28Å; K76-R80 WeakPolarHBondContact O-CG 3.22Å; K76-R80 PolarHBondContact O-N 3.33Å |
| 77 | L | 96.5 | Very high | 95.6 | Very high | 90 Ų | 90 | 66 Ų | 66 | 47% | 0.471 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 177.1 | -102.7 | 149.9 | 0 | 0 | 0 | 111.5 | P73 C74 A75 R80 K81 | P73-L77 PolarHBondContact O-N 3.2Å; P73-L77 VanDerWaalsContact O-N 3.11Å; C74-L77 WeakPolarHBondContact O-CB 3.44Å; C74-L77 PolarHBondContact O-N 3.03Å; A75-L77 VanDerWaalsContact C-N 3.3Å; A75-L77 PolarHBondContact O-N 2.9Å; L77-R80 PolarHBondContact O-N 3.5Å; L77-K81 HydrophobicContact CD2-CD 4.35Å; L77-K81 WeakPolarHBondContact O-CB 3.32Å; L77-K81 WeakPolarHBondContact O-CG 3.34Å; L77-K81 PolarHBondContact O-N 3.49Å |
| 78 | T | 95.2 | Very high | 95.7 | Very high | 16 Ų | 16 | 64.7 Ų | 64.7 | 10% | 0.098 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 176.4 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | M70 C74 A75 R80 K81 Q82 G83 | M70-T78 HydrophobicContact CE-CG2 4.37Å; M70-T78 VanDerWaalsContact CE-OG1 3.29Å; M70-T78 WeakPolarHBondContact CE-OG1 3.37Å; C74-T78 PolarHBondContact O-N 3.43Å; C74-T78 PolarHBondContact O-OG1 3.4Å; A75-T78 PolarHBondContact O-N 3.43Å; T78-R80 VanDerWaalsContact C-N 3.34Å; T78-R80 PolarHBondContact O-N 2.98Å; T78-K81 PolarHBondContact O-N 2.96Å; T78-Q82 PolarHBondContact O-N 3.02Å; T78-G83 PolarHBondContact O-N 3.45Å |
| 79 | F | 95.8 | Very high | 95.8 | Very high | 72 Ų | 72 | 67.8 Ų | 67.8 | 32% | 0.316 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 175.4 | 176.8 | -127.9 | 0 | 0 | 0 | 111.9 | A75 K76 G83 I92 V95 | A75-F79 WeakPolarHBondContact O-CB 3.21Å; A75-F79 PolarHBondContact O-N 3.08Å; K76-F79 PolarHBondContact O-N 2.91Å; F79-G83 VanDerWaalsContact O-CA 3.28Å; F79-G83 WeakPolarHBondContact O-CA 3.24Å; F79-G83 PolarHBondContact O-N 3.31Å; F79-G83 VanDerWaalsContact O-N 3.13Å; F79-I92 HydrophobicContact CD2-CB 3.71Å; F79-I92 HydrophobicContact CD2-CG2 3.54Å; F79-I92 HydrophobicContact CE2-CB 4.09Å; F79-I92 HydrophobicContact CE2-CG2 3.93Å; F79-I92 WeakPolarHBondContact CE2-O 3.4Å; F79-I92 HydrophobicContact CG-CG2 4.26Å; F79-V95 HydrophobicContact CB-CG2 3.71Å; F79-V95 HydrophobicContact CD1-CG2 4.27Å; F79-V95 HydrophobicContact CG-CG2 4.02Å |
| 80 | R | 95.6 | Very high | 95.9 | Very high | 201 Ų | 201 | 72.8 Ų | 72.8 | 76% | 0.758 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -70 | -34.7 | 178 | -71.4 | 172.9 | -179.8 | 177.7 | -1.1 | 113.7 | K76 L77 T78 | K76-R80 WeakPolarHBondContact O-CB 3.3Å; K76-R80 VanDerWaalsContact O-CG 3.28Å; K76-R80 WeakPolarHBondContact O-CG 3.22Å; K76-R80 PolarHBondContact O-N 3.33Å; L77-R80 PolarHBondContact O-N 3.5Å; T78-R80 VanDerWaalsContact C-N 3.34Å; T78-R80 PolarHBondContact O-N 2.98Å |
| 81 | K | 95.4 | Very high | 96 | Very high | 167 Ų | 167 | 76.9 Ų | 76.9 | 73% | 0.726 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -83.8 | -48.5 | -175.8 | -74.4 | -177.4 | 174.7 | -175.8 | 0 | 113.1 | L77 T78 | L77-K81 HydrophobicContact CD2-CD 4.35Å; L77-K81 WeakPolarHBondContact O-CB 3.32Å; L77-K81 WeakPolarHBondContact O-CG 3.34Å; L77-K81 PolarHBondContact O-N 3.49Å; T78-K81 PolarHBondContact O-N 2.96Å |
| 82 | Q | 94.3 | Very high | 96 | Very high | 131 Ų | 131 | 77.4 Ų | 77.4 | 61% | 0.612 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | -32.5 | -171 | -64.2 | 179.3 | -3.5 | 0 | 0 | 112.5 | T78 V84 | T78-Q82 PolarHBondContact O-N 3.02Å; Q82-V84 HydrophobicContact CB-CG2 3.94Å; Q82-V84 PolarHBondContact O-N 3.34Å |
| 83 | G | 94.2 | Very high | 96 | Very high | 21 Ų | 21 | 83 Ų | 83 | 22% | 0.216 | 40% | 0.397 | C | S | . | . | trans | 66.8 | 11 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | T78 F79 P91 I92 | T78-G83 PolarHBondContact O-N 3.45Å; F79-G83 VanDerWaalsContact O-CA 3.28Å; F79-G83 WeakPolarHBondContact O-CA 3.24Å; F79-G83 PolarHBondContact O-N 3.31Å; F79-G83 VanDerWaalsContact O-N 3.13Å; G83-P91 WeakPolarHBondContact O-CA 3.41Å; G83-I92 PolarHBondContact O-N 3.22Å | ||
| 84 | V | 96.4 | Very high | 96 | Very high | 54 Ų | 54 | 83.2 Ų | 83.2 | 33% | 0.327 | 39% | 0.393 | S | S | . | . | B | Isolated β-bridge | trans | -127.7 | 147.8 | -178.8 | -67.6 | 0 | 0 | 0 | 0 | 111.8 | Q82 K90 I92 | Q82-V84 HydrophobicContact CB-CG2 3.94Å; Q82-V84 PolarHBondContact O-N 3.34Å; V84-K90 WeakPolarHBondContact CA-O 2.98Å; V84-I92 VanDerWaalsContact O-CD1 3.28Å; V84-I92 WeakPolarHBondContact O-CD1 3.47Å |
| 85 | C | 96.3 | Very high | 96 | Very high | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 39% | 0.391 | C | S | . | . | trans | -68.6 | 130.5 | 178.5 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | F62 C65 I87 R89 K90 I92 | F62-C85 HydrophobicContact CD2-CB 4.4Å; C65-C85 VanDerWaalsContact SG-SG 3.67Å; C85-I87 PolarHBondContact O-N 3.18Å; C85-I87 PolarHBondContact SG-N 3.38Å; C85-R89 WeakPolarHBondContact O-CA 3.37Å; C85-R89 PolarHBondContact O-N 3.23Å; C85-K90 PolarHBondContact N-O 3.04Å; C85-I92 HydrophobicContact CB-CG1 4.34Å | ||
| 86 | P | 93.6 | Very high | 96 | Very high | 65 Ų | 65 | 86.7 Ų | 86.7 | 42% | 0.422 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.9 | 179.5 | 27.7 | -35.2 | 0 | 0 | 0 | 113.6 | F62 M70 | F62-P86 HydrophobicContact CE2-CG 3.75Å; F62-P86 HydrophobicContact CZ-CG 4.16Å; M70-P86 HydrophobicContact SD-CG 3.99Å |
| 87 | I | 94.8 | Very high | 96 | Very high | 89 Ų | 89 | 87.7 Ų | 87.7 | 46% | 0.456 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -56.6 | -179.5 | -52 | -165.5 | 0 | 0 | 0 | 110.8 | H67 C85 | H67-I87 HydrophobicContact CB-CB 4.16Å; H67-I87 HydrophobicContact CB-CD1 3.74Å; H67-I87 HydrophobicContact CB-CG1 4.12Å; C85-I87 PolarHBondContact O-N 3.18Å; C85-I87 PolarHBondContact SG-N 3.38Å |
| 88 | C | 97.2 | Very high | 95.9 | Very high | 41 Ų | 41 | 86.7 Ų | 86.7 | 28% | 0.277 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 3.6 | -170.3 | 73.3 | 0 | 0 | 0 | 0 | 114.7 | H67 K90 | H67-C88 VanDerWaalsContact CE1-CB 3.41Å; H67-C88 WeakPolarHBondContact CE1-CB 3.35Å; H67-C88 VanDerWaalsContact CE1-SG 3.56Å; H67-C88 PolarHBondContact ND1-SG 3.09Å; C88-K90 PolarHBondContact O-N 3.43Å |
| 89 | R | 95.8 | Very high | 95.7 | Very high | 212 Ų | 212 | 93.6 Ų | 93.6 | 80% | 0.8 | 44% | 0.439 | S | S | * | . | trans | 57.6 | 14.8 | 177.6 | -52.5 | -177.2 | -177.7 | -151.7 | 0.4 | 115.7 | C85 | C85-R89 WeakPolarHBondContact O-CA 3.37Å; C85-R89 PolarHBondContact O-N 3.23Å | ||
| 90 | K | 96.5 | Very high | 95.2 | Very high | 126 Ų | 126 | 97.2 Ų | 97.2 | 55% | 0.548 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 147.5 | 174 | -68.8 | -179.8 | -177.7 | 177.3 | 0 | 110 | C65 V84 C85 C88 I92 | C65-K90 HydrophobicContact CB-CD 4.33Å; V84-K90 WeakPolarHBondContact CA-O 2.98Å; C85-K90 PolarHBondContact N-O 3.04Å; C88-K90 PolarHBondContact O-N 3.43Å; K90-I92 PolarHBondContact O-N 3.48Å |
| 91 | P | 97 | Very high | 94.5 | Very high | 92 Ų | 92 | 96.8 Ų | 96.8 | 60% | 0.597 | 48% | 0.482 | S | S | * | . | B | Isolated β-bridge | trans | -62.8 | 134 | 177 | 26.3 | -33.8 | 0 | 0 | 0 | 110.6 | G83 | G83-P91 WeakPolarHBondContact O-CA 3.41Å |
| 92 | I | 97.4 | Very high | 94.5 | Very high | 13 Ų | 13 | 93.3 Ų | 93.3 | 7% | 0.067 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 133.4 | 176.4 | -57.6 | 166.1 | 0 | 0 | 0 | 107.5 | F62 F79 G83 V84 C85 K90 D94 V95 | F62-I92 HydrophobicContact CB-CG1 4.16Å; F62-I92 HydrophobicContact CB-CG2 4.41Å; F62-I92 HydrophobicContact CD1-CD1 3.42Å; F62-I92 VanDerWaalsContact CD1-CD1 3.42Å; F62-I92 HydrophobicContact CD1-CG1 3.96Å; F62-I92 HydrophobicContact CD1-CG2 4.11Å; F62-I92 HydrophobicContact CE1-CD1 3.67Å; F62-I92 HydrophobicContact CG-CD1 4Å; F62-I92 HydrophobicContact CG-CG1 4.19Å; F62-I92 HydrophobicContact CZ-CD1 4.44Å; F79-I92 HydrophobicContact CD2-CB 3.71Å; F79-I92 HydrophobicContact CD2-CG2 3.54Å; F79-I92 HydrophobicContact CE2-CB 4.09Å; F79-I92 HydrophobicContact CE2-CG2 3.93Å; F79-I92 WeakPolarHBondContact CE2-O 3.4Å; F79-I92 HydrophobicContact CG-CG2 4.26Å; G83-I92 PolarHBondContact O-N 3.22Å; V84-I92 VanDerWaalsContact O-CD1 3.28Å; V84-I92 WeakPolarHBondContact O-CD1 3.47Å; C85-I92 HydrophobicContact CB-CG1 4.34Å; K90-I92 PolarHBondContact O-N 3.48Å; I92-D94 WeakPolarHBondContact CG2-O 3.43Å; I92-V95 HydrophobicContact CG2-CG2 4.31Å |
| 93 | R | 96.4 | Very high | 94.5 | Very high | 179 Ų | 179 | 91.3 Ų | 91.3 | 68% | 0.675 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -99.6 | -37.4 | 171.9 | -70.9 | -178.9 | -177 | 178.4 | -0.5 | 111.8 | Y63 | Y63-R93 HydrophobicContact CD1-CB 3.86Å; Y63-R93 HydrophobicContact CE1-CB 4.37Å; Y63-R93 PolarHBondContact O-N 3.48Å |
| 94 | D | 96.4 | Very high | 94.5 | Very high | 84 Ų | 84 | 95.2 Ų | 95.2 | 45% | 0.449 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 159.8 | 178.1 | -157.9 | 0.4 | 0 | 0 | 0 | 111.3 | Y63 I92 | Y63-D94 HydrophobicContact CD1-CB 4.49Å; Y63-D94 PolarHBondContact N-O 3.28Å; I92-D94 WeakPolarHBondContact CG2-O 3.43Å |
| 95 | V | 97.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 97.6 Ų | 97.6 | 4% | 0.036 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 111.5 | 175.4 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | F62 Y72 A75 F79 I92 | F62-V95 HydrophobicContact CD1-CG2 4.29Å; F62-V95 HydrophobicContact CE1-CG2 4.49Å; Y72-V95 HydrophobicContact CD2-CG1 3.95Å; Y72-V95 HydrophobicContact CE2-CG1 3.97Å; Y72-V95 WeakPolarHBondContact CE2-O 3.09Å; A75-V95 HydrophobicContact CB-CG1 3.49Å; A75-V95 VanDerWaalsContact CB-CG1 3.49Å; A75-V95 HydrophobicContact CB-CG2 4.5Å; F79-V95 HydrophobicContact CB-CG2 3.71Å; F79-V95 HydrophobicContact CD1-CG2 4.27Å; F79-V95 HydrophobicContact CG-CG2 4.02Å; I92-V95 HydrophobicContact CG2-CG2 4.31Å |
| 96 | L | 96.9 | Very high | 94.2 | Very high | 82 Ų | 82 | 103.8 Ų | 103.8 | 43% | 0.429 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 136.7 | -178.4 | -54.8 | 178.6 | 0 | 0 | 0 | 109.8 | S60 A61 | S60-L96 CarbonylContact C-O 3.54Å; S60-L96 WeakPolarHBondContact CA-O 3.11Å; S60-L96 WeakPolarHBondContact CB-O 3.38Å; A61-L96 PolarHBondContact N-O 3.08Å; A61-L96 PolarHBondContact O-N 3.11Å |
| 97 | K | 96 | Very high | 94.3 | Very high | 100 Ų | 100 | 106.3 Ų | 106.3 | 44% | 0.435 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 127.5 | 172.4 | -169 | 169.8 | -179.2 | 172.7 | 0 | 109.7 | D59 Y72 F99 | D59-K97 CarbonylContact O-C 3.55Å; D59-K97 WeakPolarHBondContact O-CA 3.16Å; D59-K97 WeakPolarHBondContact O-CG 3.38Å; D59-K97 WeakPolarHBondContact OD2-CE 3.27Å; D59-K97 IonicContact OD2-NZ 3.74Å; Y72-K97 HydrophobicContact CD1-CD 4.48Å; Y72-K97 HydrophobicContact CD2-CB 3.72Å; Y72-K97 HydrophobicContact CD2-CD 4.45Å; Y72-K97 HydrophobicContact CD2-CG 4.15Å; Y72-K97 HydrophobicContact CE2-CB 3.82Å; Y72-K97 HydrophobicContact CG-CB 4.36Å; Y72-K97 HydrophobicContact CG-CD 4.25Å; Y72-K97 HydrophobicContact CG-CG 4.34Å; K97-F99 HydrophobicContact CB-CE2 4.25Å; K97-F99 HydrophobicContact CB-CZ 4.49Å; K97-F99 HydrophobicContact CD-CE1 4.17Å; K97-F99 HydrophobicContact CD-CE2 4.31Å; K97-F99 HydrophobicContact CD-CZ 3.71Å; K97-F99 HydrophobicContact CG-CE1 4.49Å; K97-F99 HydrophobicContact CG-CE2 4.09Å; K97-F99 HydrophobicContact CG-CZ 3.98Å |
| 98 | I | 94.4 | Very high | 94.2 | Very high | 69 Ų | 69 | 107.6 Ų | 107.6 | 35% | 0.354 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -96.8 | 134.1 | 179 | -59.1 | 163 | 0 | 0 | 0 | 108.7 | D59 A61 | D59-I98 PolarHBondContact O-N 2.98Å; A61-I98 HydrophobicContact CB-CD1 3.71Å; A61-I98 HydrophobicContact CB-CG1 4.29Å |
| 99 | F | 92.8 | Very high | 94 | Very high | 161 Ų | 161 | 112.7 Ų | 112.7 | 71% | 0.706 | 55% | 0.545 | S | S | * | . | trans | -115.5 | 122.8 | 171.5 | -59.6 | -88.1 | 0 | 0 | 0 | 108 | K97 | K97-F99 HydrophobicContact CB-CE2 4.25Å; K97-F99 HydrophobicContact CB-CZ 4.49Å; K97-F99 HydrophobicContact CD-CE1 4.17Å; K97-F99 HydrophobicContact CD-CE2 4.31Å; K97-F99 HydrophobicContact CD-CZ 3.71Å; K97-F99 HydrophobicContact CG-CE1 4.49Å; K97-F99 HydrophobicContact CG-CE2 4.09Å; K97-F99 HydrophobicContact CG-CZ 3.98Å | ||
| 100 | K | 84.3 | Confident | 93.9 | Very high | 149 Ų | 149 | 104.4 Ų | 104.4 | 65% | 0.648 | 52% | 0.524 | S | S | * | . | trans | -82.7 | 130.1 | 173.3 | -62.2 | -173.5 | -176.3 | -172 | 0 | 108 | D48 | D48-K100 IonicContact OD1-NZ 2.68Å; D48-K100 PolarHBondContact OD1-NZ 2.68Å; D48-K100 IonicContact OD2-NZ 2.76Å; D48-K100 PolarHBondContact OD2-NZ 3.21Å | ||
| 101 | S | 81.2 | Confident | 93.6 | Very high | 192 Ų | 192 | 102.5 Ų | 102.5 | 100% | 1.343 | 52% | 0.522 | S | S | * | . | trans | -82.6 | 0 | -179.9 | 61.6 | 0 | 0 | 0 | 0 | 112.7 |
Retrieved 101 of 101 residues in 254.4 ms
(Link to these results)