| 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 | 36.1 | Very low | 38.1 | Very low | 222 Ų | 222 | 132.9 Ų | 132.9 | 100% | 1.094 | 79% | 0.79 | S | S | * | * | 0 | 79.7 | 0 | -77.3 | 165.4 | 168.2 | 0 | 0 | 104.9 | |||||
| 2 | E | 35.5 | Very low | 38.6 | Very low | 172 Ų | 172 | 130.3 Ų | 130.3 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | 90.3 | 92.9 | 99.7 | -77.3 | 164.1 | 147.1 | 0 | 0 | 107.5 | |||||
| 3 | E | 41.3 | Very low | 39.8 | Very low | 165 Ų | 165 | 122.5 Ų | 122.5 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | 75.1 | 93.4 | 89.6 | -165.9 | 179.4 | 161.6 | 0 | 0 | 111.3 | A5 | E3-A5 HydrophobicContact CG-CB 3.97Š| |||
| 4 | E | 33.3 | Very low | 41.5 | Very low | 195 Ų | 195 | 121.1 Ų | 121.1 | 91% | 0.911 | 72% | 0.716 | S | S | * | * | trans | -108.3 | 72.4 | 153.1 | -90.1 | -116.1 | 133.4 | 0 | 0 | 106.9 | S6 | E4-S6 PolarHBondContact O-N 3.49Å; E4-S6 VanDerWaalsContact O-N 3.15Å | ||
| 5 | A | 36.2 | Very low | 43.4 | Very low | 66 Ų | 66 | 119.4 Ų | 119.4 | 55% | 0.545 | 71% | 0.709 | S | S | . | * | trans | -66.4 | 102.3 | 156 | 0 | 0 | 0 | 0 | 0 | 106.4 | E3 S7 | E3-A5 HydrophobicContact CG-CB 3.97Å; A5-S7 PolarHBondContact O-N 3.02Å | ||
| 6 | S | 35.7 | Very low | 45.2 | Very low | 110 Ų | 110 | 115.9 Ų | 115.9 | 77% | 0.769 | 68% | 0.683 | S | S | * | * | trans | -66.3 | 102.3 | 172.1 | 33.8 | 0 | 0 | 0 | 0 | 108.4 | E4 | E4-S6 PolarHBondContact O-N 3.49Å; E4-S6 VanDerWaalsContact O-N 3.15Å | ||
| 7 | S | 33.3 | Very low | 47 | Very low | 107 Ų | 107 | 109.5 Ų | 109.5 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | trans | -53.4 | 125 | 173.4 | -51.9 | 0 | 0 | 0 | 0 | 110.7 | A5 G9 | A5-S7 PolarHBondContact O-N 3.02Å; S7-G9 VanDerWaalsContact C-N 3.28Å; S7-G9 PolarHBondContact O-N 3.08Å | ||
| 8 | P | 43.1 | Very low | 48.8 | Very low | 134 Ų | 134 | 105.8 Ų | 105.8 | 87% | 0.87 | 62% | 0.621 | S | S | * | * | trans | -83.2 | 81 | 170.4 | 32.6 | -28.3 | 0 | 0 | 0 | 107.5 | ||||
| 9 | G | 37.6 | Very low | 50.6 | Low | 53 Ų | 53 | 109 Ų | 109 | 55% | 0.546 | 63% | 0.626 | S | S | . | * | trans | -156.2 | 84.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S7 | S7-G9 VanDerWaalsContact C-N 3.28Å; S7-G9 PolarHBondContact O-N 3.08Å | ||
| 10 | L | 42 | Very low | 52.1 | Low | 163 Ų | 163 | 106.5 Ų | 106.5 | 85% | 0.853 | 61% | 0.61 | S | S | * | * | 170 | 116.7 | 126.4 | -114.2 | 68.6 | 0 | 0 | 0 | 107.5 | C12 | L10-C12 PolarHBondContact O-N 2.86Š| |||
| 11 | G | 44.9 | Very low | 53.7 | Low | 75 Ų | 75 | 101.6 Ų | 101.6 | 77% | 0.773 | 58% | 0.582 | S | S | * | * | trans | -58.9 | 90.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 12 | C | 44.2 | Very low | 56 | Low | 101 Ų | 101 | 98.3 Ų | 98.3 | 68% | 0.682 | 57% | 0.568 | S | S | * | * | trans | -126.2 | 76.1 | 160.4 | -168.5 | 0 | 0 | 0 | 0 | 104.4 | L10 K14 | L10-C12 PolarHBondContact O-N 2.86Å; C12-K14 PolarHBondContact O-N 2.72Å | ||
| 13 | S | 53.9 | Low | 58.4 | Low | 29 Ų | 29 | 90.9 Ų | 90.9 | 20% | 0.203 | 54% | 0.538 | C | S | . | . | trans | -50.1 | 111.4 | 164.6 | 39.2 | 0 | 0 | 0 | 0 | 106.2 | E18 | S13-E18 WeakPolarHBondContact OG-CG 3.48Å; S13-E18 PolarHBondContact OG-OE1 3.26Å | ||
| 14 | K | 64.6 | Low | 60.6 | Low | 104 Ų | 104 | 85.4 Ų | 85.4 | 45% | 0.452 | 51% | 0.513 | S | S | . | . | trans | -52 | 138.2 | 175.9 | -58.1 | -177.6 | -164.9 | 159.2 | 0 | 107 | C12 H16 L17 E18 E41 | C12-K14 PolarHBondContact O-N 2.72Å; K14-H16 WeakPolarHBondContact CB-CE1 3.29Å; K14-H16 WeakPolarHBondContact CD-CE1 3.11Å; K14-H16 PolarHBondContact O-N 2.69Å; K14-L17 HydrophobicContact CB-CD1 4.44Å; K14-L17 HydrophobicContact CB-CG 4.37Å; K14-L17 WeakPolarHBondContact O-CA 3.34Å; K14-L17 VanDerWaalsContact O-CB 3.29Å; K14-L17 WeakPolarHBondContact O-CB 3.33Å; K14-L17 PolarHBondContact O-N 2.9Å; K14-E18 PolarHBondContact O-N 3.16Å; K14-E41 WeakPolarHBondContact CD-OE1 3.38Å; K14-E41 IonicContact NZ-OE1 3.78Å; K14-E41 IonicContact NZ-OE2 3.99Å; K14-E41 PolarHBondContact NZ-OE2 3.31Å | ||
| 15 | P | 68.6 | Low | 63.1 | Low | 95 Ų | 95 | 76.3 Ų | 76.3 | 62% | 0.617 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.3 | -21.5 | -170.3 | 20.2 | -32.7 | 0 | 0 | 0 | 113.8 | ||
| 16 | H | 72.5 | Confident | 65.5 | Low | 63 Ų | 63 | 80 Ų | 80 | 29% | 0.292 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -75.4 | -28.5 | 171.2 | 62.9 | -93.5 | 0 | 0 | 0 | 113.8 | K14 K19 L20 E41 M71 | K14-H16 WeakPolarHBondContact CB-CE1 3.29Å; K14-H16 WeakPolarHBondContact CD-CE1 3.11Å; K14-H16 PolarHBondContact O-N 2.69Å; H16-K19 PolarHBondContact O-N 2.85Å; H16-L20 WeakPolarHBondContact O-CB 3.27Å; H16-L20 PolarHBondContact O-N 2.96Å; H16-E41 IonicContact CD2-OE1 2.76Å; H16-E41 IonicContact CE1-OE1 3.57Å; H16-E41 IonicContact NE2-OE1 2.93Å; H16-E41 PolarHBondContact NE2-OE1 3.18Å; H16-E41 IonicContact NE2-OE2 3.55Å; H16-M71 HydrophobicContact CB-CE 3.57Å |
| 17 | L | 76.1 | Confident | 68 | Low | 7 Ų | 7 | 80 Ų | 80 | 4% | 0.037 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -67.7 | -41 | 173.7 | -73.6 | 179.7 | 0 | 0 | 0 | 112 | K14 K19 L20 T21 I39 E41 | K14-L17 HydrophobicContact CB-CD1 4.44Å; K14-L17 HydrophobicContact CB-CG 4.37Å; K14-L17 WeakPolarHBondContact O-CA 3.34Å; K14-L17 VanDerWaalsContact O-CB 3.29Å; K14-L17 WeakPolarHBondContact O-CB 3.33Å; K14-L17 PolarHBondContact O-N 2.9Å; L17-K19 PolarHBondContact O-N 3.06Å; L17-L20 HydrophobicContact CD2-CD2 4.16Å; L17-L20 PolarHBondContact O-N 3.31Å; L17-L20 VanDerWaalsContact O-N 3.09Å; L17-T21 WeakPolarHBondContact O-CG2 3.23Å; L17-T21 PolarHBondContact O-N 2.97Å; L17-T21 PolarHBondContact O-OG1 3.09Å; L17-I39 HydrophobicContact CD1-CB 4.24Å; L17-I39 HydrophobicContact CD1-CD1 4.4Å; L17-I39 HydrophobicContact CD1-CG2 3.76Å; L17-I39 HydrophobicContact CD2-CG2 4.27Å; L17-E41 HydrophobicContact CD1-CG 3.95Å; L17-E41 WeakPolarHBondContact CD1-OE1 3.44Å; L17-E41 HydrophobicContact CD2-CG 3.54Å; L17-E41 WeakPolarHBondContact CD2-OE1 3.3Å; L17-E41 HydrophobicContact CG-CG 4.08Å; L17-E41 WeakPolarHBondContact CG-OE1 3.49Å |
| 18 | E | 80.1 | Confident | 70.6 | Confident | 44 Ų | 44 | 75.9 Ų | 75.9 | 21% | 0.206 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.1 | -37.9 | 177.2 | -63.4 | -162.6 | 135.4 | 0 | 0 | 111.3 | S13 K14 L22 G23 R26 | S13-E18 WeakPolarHBondContact OG-CG 3.48Å; S13-E18 PolarHBondContact OG-OE1 3.26Å; K14-E18 PolarHBondContact O-N 3.16Å; E18-L22 CarbonylContact O-C 3.41Å; E18-L22 WeakPolarHBondContact O-CA 3.47Å; E18-L22 PolarHBondContact O-N 2.87Å; E18-G23 PolarHBondContact O-N 2.96Å; E18-R26 IonicContact OE1-CZ 3.58Å; E18-R26 IonicContact OE1-NE 3.6Å; E18-R26 PolarHBondContact OE1-NE 2.93Å; E18-R26 IonicContact OE1-NH2 3.28Å; E18-R26 PolarHBondContact OE1-NH2 2.73Å; E18-R26 IonicContact OE2-CZ 3.56Å; E18-R26 IonicContact OE2-NE 2.86Å; E18-R26 IonicContact OE2-NH2 2.77Å; E18-R26 PolarHBondContact OE2-NH2 3.38Å |
| 19 | K | 81.7 | Confident | 72.7 | Confident | 166 Ų | 166 | 74.5 Ų | 74.5 | 72% | 0.722 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67.1 | -42.1 | 172.8 | -68.2 | 178.7 | -178.8 | -178.8 | 0 | 111.5 | H16 L17 L22 | H16-K19 PolarHBondContact O-N 2.85Å; L17-K19 PolarHBondContact O-N 3.06Å; K19-L22 WeakPolarHBondContact O-CD2 3.41Å; K19-L22 PolarHBondContact O-N 3.25Å |
| 20 | L | 82.1 | Confident | 75.1 | Confident | 58 Ų | 58 | 76.6 Ų | 76.6 | 30% | 0.304 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | -178.9 | 177.2 | 63.5 | 0 | 0 | 0 | 112.5 | H16 L17 L22 F68 T72 F75 | H16-L20 WeakPolarHBondContact O-CB 3.27Å; H16-L20 PolarHBondContact O-N 2.96Å; L17-L20 HydrophobicContact CD2-CD2 4.16Å; L17-L20 PolarHBondContact O-N 3.31Å; L17-L20 VanDerWaalsContact O-N 3.09Å; L20-L22 PolarHBondContact O-N 3.39Å; L20-F68 HydrophobicContact CD1-CD2 3.74Å; L20-F68 HydrophobicContact CD1-CE2 3.37Å; L20-F68 HydrophobicContact CD1-CZ 4.49Å; L20-F68 HydrophobicContact CD2-CE2 3.79Å; L20-F68 HydrophobicContact CG-CE2 4.18Å; L20-T72 HydrophobicContact CD2-CG2 4.03Å; L20-F75 HydrophobicContact CD2-CD1 3.7Å; L20-F75 HydrophobicContact CD2-CE1 3.83Å; L20-F75 HydrophobicContact CG-CD1 4.47Å; L20-F75 HydrophobicContact CG-CE1 4.1Å |
| 21 | T | 84.4 | Confident | 77.3 | Confident | 4 Ų | 4 | 71 Ų | 71 | 3% | 0.025 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 7.2 | 178.3 | 67.8 | 0 | 0 | 0 | 0 | 111.9 | L17 G23 I24 T25 I39 F75 | L17-T21 WeakPolarHBondContact O-CG2 3.23Å; L17-T21 PolarHBondContact O-N 2.97Å; L17-T21 PolarHBondContact O-OG1 3.09Å; T21-G23 PolarHBondContact O-N 3.35Å; T21-I24 WeakPolarHBondContact O-CB 3.5Å; T21-I24 WeakPolarHBondContact O-CD1 3.13Å; T21-I24 WeakPolarHBondContact O-CG1 3.42Å; T21-I24 PolarHBondContact O-N 2.95Å; T21-T25 PolarHBondContact OG1-OG1 3.25Å; T21-I39 HydrophobicContact CG2-CD1 4.37Å; T21-F75 HydrophobicContact CG2-CE2 4.32Å; T21-F75 HydrophobicContact CG2-CZ 4.13Å |
| 22 | L | 85.5 | Confident | 79.3 | Confident | 154 Ų | 154 | 73.9 Ų | 73.9 | 81% | 0.806 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 33.2 | -179.5 | -58.5 | 172.6 | 0 | 0 | 0 | 113.3 | E18 K19 L20 | E18-L22 CarbonylContact O-C 3.41Å; E18-L22 WeakPolarHBondContact O-CA 3.47Å; E18-L22 PolarHBondContact O-N 2.87Å; K19-L22 WeakPolarHBondContact O-CD2 3.41Å; K19-L22 PolarHBondContact O-N 3.25Å; L20-L22 PolarHBondContact O-N 3.39Å |
| 23 | G | 84.5 | Confident | 81.3 | Confident | 16 Ų | 16 | 70.9 Ų | 70.9 | 17% | 0.165 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 12.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | E18 T21 T25 R26 I27 | E18-G23 PolarHBondContact O-N 2.96Å; T21-G23 PolarHBondContact O-N 3.35Å; G23-T25 PolarHBondContact O-N 3.15Å; G23-T25 VanDerWaalsContact O-N 3.15Å; G23-R26 WeakPolarHBondContact O-CB 3.48Å; G23-R26 PolarHBondContact O-N 3.28Å; G23-I27 PolarHBondContact O-N 3.38Å |
| 24 | I | 87.6 | Confident | 83 | Confident | 49 Ų | 49 | 70.8 Ų | 70.8 | 25% | 0.251 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -51.1 | -39.4 | 176.1 | -73.8 | 160.5 | 0 | 0 | 0 | 111.8 | T21 R26 I27 L28 M77 M93 | T21-I24 WeakPolarHBondContact O-CB 3.5Å; T21-I24 WeakPolarHBondContact O-CD1 3.13Å; T21-I24 WeakPolarHBondContact O-CG1 3.42Å; T21-I24 PolarHBondContact O-N 2.95Å; I24-R26 VanDerWaalsContact C-N 3.28Å; I24-R26 PolarHBondContact O-N 2.77Å; I24-I27 PolarHBondContact O-N 3.47Å; I24-I27 VanDerWaalsContact O-N 3.16Å; I24-L28 HydrophobicContact CG2-CD1 3.74Å; I24-L28 HydrophobicContact CG2-CG 4.25Å; I24-L28 WeakPolarHBondContact O-CG 3.24Å; I24-L28 PolarHBondContact O-N 3.14Å; I24-M77 HydrophobicContact CG2-CE 4.15Å; I24-M77 HydrophobicContact CG2-SD 3.93Å; I24-M93 HydrophobicContact CD1-CE 3.82Å; I24-M93 HydrophobicContact CD1-SD 3.83Å |
| 25 | T | 85.9 | Confident | 84.2 | Confident | 5 Ų | 5 | 67.9 Ų | 67.9 | 3% | 0.031 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -53.8 | -45.4 | 176.7 | -17.2 | 0 | 0 | 0 | 0 | 111.8 | T21 G23 L28 E29 V37 I39 M77 | T21-T25 PolarHBondContact OG1-OG1 3.25Å; G23-T25 PolarHBondContact O-N 3.15Å; G23-T25 VanDerWaalsContact O-N 3.15Å; T25-L28 PolarHBondContact O-N 2.78Å; T25-E29 WeakPolarHBondContact O-CB 3.34Å; T25-E29 VanDerWaalsContact O-CG 3.3Å; T25-E29 WeakPolarHBondContact O-CG 3.48Å; T25-E29 PolarHBondContact O-N 2.76Å; T25-V37 HydrophobicContact CG2-CG1 3.8Å; T25-I39 HydrophobicContact CG2-CD1 3.7Å; T25-I39 HydrophobicContact CG2-CG1 4.45Å; T25-M77 HydrophobicContact CG2-CE 3.73Å |
| 26 | R | 86.5 | Confident | 85.1 | Confident | 143 Ų | 143 | 68.6 Ų | 68.6 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.5 | -37.9 | -179.4 | -62.6 | -176.3 | 178.7 | -158.7 | 3.4 | 112 | E18 G23 I24 S30 | E18-R26 IonicContact OE1-CZ 3.58Å; E18-R26 IonicContact OE1-NE 3.6Å; E18-R26 PolarHBondContact OE1-NE 2.93Å; E18-R26 IonicContact OE1-NH2 3.28Å; E18-R26 PolarHBondContact OE1-NH2 2.73Å; E18-R26 IonicContact OE2-CZ 3.56Å; E18-R26 IonicContact OE2-NE 2.86Å; E18-R26 IonicContact OE2-NH2 2.77Å; E18-R26 PolarHBondContact OE2-NH2 3.38Å; G23-R26 WeakPolarHBondContact O-CB 3.48Å; G23-R26 PolarHBondContact O-N 3.28Å; I24-R26 VanDerWaalsContact C-N 3.28Å; I24-R26 PolarHBondContact O-N 2.77Å; R26-S30 VanDerWaalsContact O-CB 3.29Å; R26-S30 WeakPolarHBondContact O-CB 3.4Å; R26-S30 PolarHBondContact O-N 2.83Å; R26-S30 PolarHBondContact O-OG 2.95Å |
| 27 | I | 88.9 | Confident | 85.9 | Confident | 111 Ų | 111 | 66.9 Ų | 66.9 | 57% | 0.569 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65 | -43.7 | 178 | -60.9 | 171.4 | 0 | 0 | 0 | 110 | G23 I24 S30 S31 | G23-I27 PolarHBondContact O-N 3.38Å; I24-I27 PolarHBondContact O-N 3.47Å; I24-I27 VanDerWaalsContact O-N 3.16Å; I27-S30 PolarHBondContact O-N 3.11Å; I27-S31 PolarHBondContact O-N 3.23Å; I27-S31 PolarHBondContact O-OG 2.93Å |
| 28 | L | 88 | Confident | 86.4 | Confident | 20 Ų | 20 | 69.3 Ų | 69.3 | 11% | 0.105 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.5 | -47.2 | 177 | -73.2 | 170 | 0 | 0 | 0 | 111.4 | I24 T25 S30 S31 V34 V37 M77 W79 | I24-L28 HydrophobicContact CG2-CD1 3.74Å; I24-L28 HydrophobicContact CG2-CG 4.25Å; I24-L28 WeakPolarHBondContact O-CG 3.24Å; I24-L28 PolarHBondContact O-N 3.14Å; T25-L28 PolarHBondContact O-N 2.78Å; L28-S30 PolarHBondContact O-N 2.89Å; L28-S31 WeakPolarHBondContact O-CB 3.48Å; L28-S31 PolarHBondContact O-N 3.46Å; L28-V34 HydrophobicContact CB-CG1 4.2Å; L28-V34 VanDerWaalsContact O-CB 3.23Å; L28-V34 WeakPolarHBondContact O-CB 3.17Å; L28-V34 WeakPolarHBondContact O-CG1 3.04Å; L28-V37 HydrophobicContact CB-CG1 4.46Å; L28-V37 HydrophobicContact CB-CG2 4.02Å; L28-V37 HydrophobicContact CD1-CG1 4.39Å; L28-M77 HydrophobicContact CD1-CE 3.53Å; L28-M77 HydrophobicContact CD1-SD 4.27Å; L28-W79 HydrophobicContact CD1-CB 4.48Å; L28-W79 HydrophobicContact CD1-CD2 3.79Å; L28-W79 HydrophobicContact CD1-CE3 3.61Å; L28-W79 HydrophobicContact CD1-CG 4.19Å; L28-W79 HydrophobicContact CD1-CZ3 4.11Å; L28-W79 HydrophobicContact CD2-CD2 3.87Å; L28-W79 HydrophobicContact CD2-CE3 4.46Å; L28-W79 HydrophobicContact CD2-CG 3.98Å; L28-W79 HydrophobicContact CD2-CZ2 4.38Å |
| 29 | E | 86.9 | Confident | 86.8 | Confident | 104 Ų | 104 | 69.1 Ų | 69.1 | 49% | 0.486 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.9 | -28.8 | 177 | -71.5 | 171.7 | 174.4 | 0 | 0 | 113.2 | T25 S31 V37 | T25-E29 WeakPolarHBondContact O-CB 3.34Å; T25-E29 VanDerWaalsContact O-CG 3.3Å; T25-E29 WeakPolarHBondContact O-CG 3.48Å; T25-E29 PolarHBondContact O-N 2.76Å; E29-S31 VanDerWaalsContact C-N 3.27Å; E29-V37 HydrophobicContact CG-CB 4.36Å; E29-V37 HydrophobicContact CG-CG2 4.11Å |
| 30 | S | 89.1 | Confident | 87.1 | Confident | 98 Ų | 98 | 66 Ų | 66 | 69% | 0.685 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -77.3 | -14 | 175.7 | -58.2 | 0 | 0 | 0 | 0 | 113.1 | R26 I27 L28 | R26-S30 VanDerWaalsContact O-CB 3.29Å; R26-S30 WeakPolarHBondContact O-CB 3.4Å; R26-S30 PolarHBondContact O-N 2.83Å; R26-S30 PolarHBondContact O-OG 2.95Å; I27-S30 PolarHBondContact O-N 3.11Å; L28-S30 PolarHBondContact O-N 2.89Å |
| 31 | S | 88.1 | Confident | 87.3 | Confident | 44 Ų | 44 | 65.5 Ų | 65.5 | 31% | 0.308 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -81.3 | 123.6 | -175.2 | -64.6 | 0 | 0 | 0 | 0 | 110.7 | I27 L28 E29 G33 V34 | I27-S31 PolarHBondContact O-N 3.23Å; I27-S31 PolarHBondContact O-OG 2.93Å; L28-S31 WeakPolarHBondContact O-CB 3.48Å; L28-S31 PolarHBondContact O-N 3.46Å; E29-S31 VanDerWaalsContact C-N 3.27Å; S31-G33 PolarHBondContact O-N 3.03Å; S31-V34 PolarHBondContact O-N 3.31Å; S31-V34 VanDerWaalsContact O-N 3.09Å |
| 32 | P | 85.3 | Confident | 87.5 | Confident | 136 Ų | 136 | 68 Ų | 68 | 88% | 0.883 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 125.2 | -178.3 | 24.4 | -32 | 0 | 0 | 0 | 110.6 | ||
| 33 | G | 86.6 | Confident | 87.5 | Confident | 38 Ų | 38 | 65.4 Ų | 65.4 | 39% | 0.392 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | -10.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S31 V81 K82 | S31-G33 PolarHBondContact O-N 3.03Å; G33-V81 CarbonylContact O-C 3.49Å; G33-V81 WeakPolarHBondContact O-CA 3.45Å; G33-V81 WeakPolarHBondContact O-CB 3.3Å; G33-K82 PolarHBondContact O-N 3.23Å |
| 34 | V | 90.4 | Very high | 87.9 | Confident | 28 Ų | 28 | 68.6 Ų | 68.6 | 17% | 0.17 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 132.7 | 171.7 | 176.6 | 0 | 0 | 0 | 0 | 110 | L28 S31 V37 W79 S80 V81 | L28-V34 HydrophobicContact CB-CG1 4.2Å; L28-V34 VanDerWaalsContact O-CB 3.23Å; L28-V34 WeakPolarHBondContact O-CB 3.17Å; L28-V34 WeakPolarHBondContact O-CG1 3.04Å; S31-V34 PolarHBondContact O-N 3.31Å; S31-V34 VanDerWaalsContact O-N 3.09Å; V34-V37 HydrophobicContact CG1-CG2 3.7Å; V34-W79 HydrophobicContact CG1-CB 4.14Å; V34-W79 HydrophobicContact CG1-CG 4.5Å; V34-S80 WeakPolarHBondContact CA-O 3.49Å; V34-V81 HydrophobicContact CG2-CG1 4.08Å |
| 35 | T | 88.5 | Confident | 88.1 | Confident | 42 Ų | 42 | 66.7 Ų | 66.7 | 26% | 0.258 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 166.4 | -179.4 | 60.9 | 0 | 0 | 0 | 0 | 110.3 | V37 S80 K82 | T35-V37 VanDerWaalsContact C-N 3.29Å; T35-V37 PolarHBondContact O-N 2.83Å; T35-S80 PolarHBondContact N-O 3.32Å; T35-S80 CarbonylContact O-C 3.47Å; T35-S80 WeakPolarHBondContact O-CA 3.36Å; T35-S80 PolarHBondContact O-N 2.87Å; T35-K82 HydrophobicContact CG2-CB 3.8Å |
| 36 | E | 88.1 | Confident | 88.4 | Confident | 110 Ų | 110 | 72.2 Ų | 72.2 | 51% | 0.514 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.4 | 39.8 | 175 | -53.3 | -174.9 | 150.5 | 0 | 0 | 114.8 | T38 S80 I87 | E36-T38 PolarHBondContact O-N 3.23Å; E36-T38 VanDerWaalsContact O-N 3.16Å; E36-T38 PolarHBondContact O-OG1 2.91Å; E36-S80 WeakPolarHBondContact OE2-CB 3.07Å; E36-S80 PolarHBondContact OE2-OG 2.69Å; E36-I87 HydrophobicContact CG-CG2 4.34Å; E36-I87 WeakPolarHBondContact OE2-CG2 3.27Å |
| 37 | V | 88.9 | Confident | 88.7 | Confident | 28 Ų | 28 | 74.1 Ų | 74.1 | 17% | 0.17 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 116.7 | 172.6 | -173 | 0 | 0 | 0 | 0 | 108.6 | T25 L28 E29 V34 T35 M77 T78 W79 | T25-V37 HydrophobicContact CG2-CG1 3.8Å; L28-V37 HydrophobicContact CB-CG1 4.46Å; L28-V37 HydrophobicContact CB-CG2 4.02Å; L28-V37 HydrophobicContact CD1-CG1 4.39Å; E29-V37 HydrophobicContact CG-CB 4.36Å; E29-V37 HydrophobicContact CG-CG2 4.11Å; V34-V37 HydrophobicContact CG1-CG2 3.7Å; T35-V37 VanDerWaalsContact C-N 3.29Å; T35-V37 PolarHBondContact O-N 2.83Å; V37-M77 HydrophobicContact CG1-CE 3.51Å; V37-T78 WeakPolarHBondContact CA-O 3.28Å; V37-W79 HydrophobicContact CG2-CB 4.08Å |
| 38 | T | 87.8 | Confident | 88.9 | Confident | 58 Ų | 58 | 73.8 Ų | 73.8 | 36% | 0.356 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 131.6 | -173.8 | 41.3 | 0 | 0 | 0 | 0 | 109.5 | E36 M77 T78 | E36-T38 PolarHBondContact O-N 3.23Å; E36-T38 VanDerWaalsContact O-N 3.16Å; E36-T38 PolarHBondContact O-OG1 2.91Å; T38-M77 CarbonylContact O-C 3.56Å; T38-M77 VanDerWaalsContact O-CA 3.25Å; T38-M77 WeakPolarHBondContact O-CA 2.78Å; T38-T78 PolarHBondContact N-O 2.65Å; T38-T78 PolarHBondContact O-N 3Å; T38-T78 PolarHBondContact OG1-O 2.87Å; T38-T78 PolarHBondContact OG1-OG1 3.09Å |
| 39 | I | 87.3 | Confident | 89.1 | Confident | 40 Ų | 40 | 75.9 Ų | 75.9 | 21% | 0.205 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 121.2 | 173.6 | -60 | 173.8 | 0 | 0 | 0 | 108.6 | L17 T21 T25 M77 | L17-I39 HydrophobicContact CD1-CB 4.24Å; L17-I39 HydrophobicContact CD1-CD1 4.4Å; L17-I39 HydrophobicContact CD1-CG2 3.76Å; L17-I39 HydrophobicContact CD2-CG2 4.27Å; T21-I39 HydrophobicContact CG2-CD1 4.37Å; T25-I39 HydrophobicContact CG2-CD1 3.7Å; T25-I39 HydrophobicContact CG2-CG1 4.45Å; I39-M77 HydrophobicContact CD1-CE 3.85Å; I39-M77 HydrophobicContact CD1-SD 4.12Å; I39-M77 HydrophobicContact CG1-CB 4.11Å; I39-M77 HydrophobicContact CG1-CE 3.87Å; I39-M77 HydrophobicContact CG1-CG 3.81Å; I39-M77 HydrophobicContact CG1-SD 4.03Å |
| 40 | I | 88.2 | Confident | 89.3 | Confident | 99 Ų | 99 | 71.2 Ų | 71.2 | 51% | 0.508 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 99.8 | 175.5 | -54.4 | 173.4 | 0 | 0 | 0 | 107.3 | F75 H76 | I40-F75 CarbonylContact O-C 3.6Å; I40-F75 WeakPolarHBondContact O-CA 3.48Å; I40-H76 HydrophobicContact CB-CB 4.44Å; I40-H76 PolarHBondContact N-O 2.73Å; I40-H76 PolarHBondContact O-N 3.08Å |
| 41 | E | 86.3 | Confident | 89.5 | Confident | 48 Ų | 48 | 69 Ų | 69 | 22% | 0.224 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 141.7 | 168.5 | -79.7 | 175.3 | -160.1 | 0 | 0 | 111 | K14 H16 L17 | K14-E41 WeakPolarHBondContact CD-OE1 3.38Å; K14-E41 IonicContact NZ-OE1 3.78Å; K14-E41 IonicContact NZ-OE2 3.99Å; K14-E41 PolarHBondContact NZ-OE2 3.31Å; H16-E41 IonicContact CD2-OE1 2.76Å; H16-E41 IonicContact CE1-OE1 3.57Å; H16-E41 IonicContact NE2-OE1 2.93Å; H16-E41 PolarHBondContact NE2-OE1 3.18Å; H16-E41 IonicContact NE2-OE2 3.55Å; L17-E41 HydrophobicContact CD1-CG 3.95Å; L17-E41 WeakPolarHBondContact CD1-OE1 3.44Å; L17-E41 HydrophobicContact CD2-CG 3.54Å; L17-E41 WeakPolarHBondContact CD2-OE1 3.3Å; L17-E41 HydrophobicContact CG-CG 4.08Å; L17-E41 WeakPolarHBondContact CG-OE1 3.49Å |
| 42 | K | 88.1 | Confident | 89.7 | Confident | 57 Ų | 57 | 70 Ų | 70 | 25% | 0.248 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -95.6 | 147.3 | 167.4 | -60.2 | -178.3 | -179.4 | 169.6 | 0 | 109.8 | T72 N73 G74 S97 | K42-T72 PolarHBondContact O-OG1 3.46Å; K42-T72 VanDerWaalsContact O-OG1 3.08Å; K42-N73 HydrophobicContact CB-CB 4.27Å; K42-N73 WeakPolarHBondContact CB-O 3.43Å; K42-N73 VanDerWaalsContact CD-O 3.28Å; K42-N73 WeakPolarHBondContact CD-O 3.16Å; K42-N73 PolarHBondContact O-N 2.81Å; K42-G74 VanDerWaalsContact CB-O 3.27Å; K42-G74 WeakPolarHBondContact CB-O 3.39Å; K42-G74 PolarHBondContact N-O 3.19Å; K42-G74 VanDerWaalsContact N-O 3.09Å; K42-S97 WeakPolarHBondContact CD-OG 3.5Å; K42-S97 PolarHBondContact NZ-OG 2.82Å |
| 43 | P | 87.3 | Confident | 90 | Very high | 99 Ų | 99 | 65.1 Ų | 65.1 | 64% | 0.643 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 152.4 | 178.5 | 25.2 | -35 | 0 | 0 | 0 | 110.7 | N73 | P43-N73 WeakPolarHBondContact O-CB 3.27Å; P43-N73 PolarHBondContact O-N 3.37Å; P43-N73 VanDerWaalsContact O-N 3.15Å |
| 44 | P | 91.1 | Very high | 90.3 | Very high | 84 Ų | 84 | 64.7 Ų | 64.7 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -47 | 141.9 | 173.7 | -30.5 | 36.6 | 0 | 0 | 0 | 113.3 | L70 | P44-L70 WeakPolarHBondContact CB-O 3.34Š|
| 45 | A | 92.3 | Very high | 90.3 | Very high | 8 Ų | 8 | 70.5 Ų | 70.5 | 7% | 0.066 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 141.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110 | Y69 N73 I98 | A45-Y69 VanDerWaalsContact CB-O 3.23Å; A45-Y69 WeakPolarHBondContact CB-O 3.46Å; A45-Y69 PolarHBondContact N-O 3.38Å; A45-N73 HydrophobicContact CB-CB 4.04Å; A45-I98 HydrophobicContact CB-CG2 4.28Å |
| 46 | E | 93.6 | Very high | 90.4 | Very high | 121 Ų | 121 | 76.9 Ų | 76.9 | 57% | 0.565 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 146.7 | 172.9 | -64.4 | 177.2 | 118.4 | 0 | 0 | 110.4 | H48 M49 I50 | E46-H48 WeakPolarHBondContact CB-ND1 3.25Å; E46-H48 VanDerWaalsContact CD-CE1 3.43Å; E46-H48 PolarHBondContact O-N 3.05Å; E46-H48 VanDerWaalsContact O-N 3.12Å; E46-H48 IonicContact OE1-CE1 3.81Å; E46-H48 IonicContact OE2-CE1 3.75Å; E46-H48 PolarHBondContact OE2-CE1 2.77Å; E46-H48 IonicContact OE2-ND1 2.78Å; E46-H48 IonicContact OE2-NE2 2.73Å; E46-M49 HydrophobicContact CB-CG 4.21Å; E46-M49 VanDerWaalsContact O-CB 3.29Å; E46-M49 WeakPolarHBondContact O-CB 3.43Å; E46-M49 PolarHBondContact O-N 3Å; E46-I50 PolarHBondContact O-N 3.43Å |
| 47 | R | 92.1 | Very high | 90.4 | Very high | 184 Ų | 184 | 72.9 Ų | 72.9 | 69% | 0.694 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -52.7 | -39.2 | -179.6 | -73.2 | -178.5 | -175 | -82.7 | -2 | 112.4 | M49 I50 S51 L70 | R47-M49 VanDerWaalsContact C-N 3.28Å; R47-M49 PolarHBondContact O-N 3.37Å; R47-I50 PolarHBondContact O-N 3.41Å; R47-S51 PolarHBondContact O-N 3Å; R47-S51 PolarHBondContact O-OG 2.84Å; R47-L70 HydrophobicContact CG-CD2 3.67Å |
| 48 | H | 93 | Very high | 90.3 | Very high | 103 Ų | 103 | 79 Ų | 79 | 48% | 0.477 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.5 | -28.7 | 179.6 | 74.3 | -102.7 | 0 | 0 | 0 | 112.9 | E46 I50 S52 | E46-H48 WeakPolarHBondContact CB-ND1 3.25Å; E46-H48 VanDerWaalsContact CD-CE1 3.43Å; E46-H48 PolarHBondContact O-N 3.05Å; E46-H48 VanDerWaalsContact O-N 3.12Å; E46-H48 IonicContact OE1-CE1 3.81Å; E46-H48 IonicContact OE2-CE1 3.75Å; E46-H48 PolarHBondContact OE2-CE1 2.77Å; E46-H48 IonicContact OE2-ND1 2.78Å; E46-H48 IonicContact OE2-NE2 2.73Å; H48-I50 VanDerWaalsContact C-N 3.34Å; H48-S52 VanDerWaalsContact O-CB 3.23Å; H48-S52 WeakPolarHBondContact O-CB 3.44Å; H48-S52 PolarHBondContact O-N 3.18Å; H48-S52 PolarHBondContact O-OG 3.32Å |
| 49 | M | 92.1 | Very high | 90.2 | Very high | 65 Ų | 65 | 78.3 Ų | 78.3 | 32% | 0.32 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 175.7 | -67.9 | -72 | -73.3 | 0 | 0 | 110.6 | E46 R47 W53 I98 S99 | E46-M49 HydrophobicContact CB-CG 4.21Å; E46-M49 VanDerWaalsContact O-CB 3.29Å; E46-M49 WeakPolarHBondContact O-CB 3.43Å; E46-M49 PolarHBondContact O-N 3Å; R47-M49 VanDerWaalsContact C-N 3.28Å; R47-M49 PolarHBondContact O-N 3.37Å; M49-W53 WeakPolarHBondContact O-CB 3.49Å; M49-W53 PolarHBondContact O-N 3.36Å; M49-I98 HydrophobicContact CB-CG2 4.22Å; M49-S99 WeakPolarHBondContact CE-OG 3.45Å |
| 50 | I | 92.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 82.2 Ų | 82.2 | 3% | 0.031 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.3 | -52.7 | 174.4 | -56.5 | 173.9 | 0 | 0 | 0 | 110.4 | E46 R47 H48 S52 W53 E54 M61 K66 L70 I98 | E46-I50 PolarHBondContact O-N 3.43Å; R47-I50 PolarHBondContact O-N 3.41Å; H48-I50 VanDerWaalsContact C-N 3.34Å; I50-S52 VanDerWaalsContact C-N 3.28Å; I50-S52 PolarHBondContact O-N 3.23Å; I50-W53 WeakPolarHBondContact O-CB 3.25Å; I50-W53 PolarHBondContact O-N 2.8Å; I50-W53 VanDerWaalsContact O-N 3.08Å; I50-E54 WeakPolarHBondContact O-CG 3.49Å; I50-E54 PolarHBondContact O-N 3.06Å; I50-M61 HydrophobicContact CG2-SD 4.38Å; I50-K66 HydrophobicContact CG2-CD 4.48Å; I50-K66 HydrophobicContact CG2-CG 3.98Å; I50-L70 HydrophobicContact CD1-CD1 4.4Å; I50-L70 HydrophobicContact CD1-CD2 3.59Å; I50-L70 HydrophobicContact CD1-CG 3.59Å; I50-I98 HydrophobicContact CB-CD1 3.88Å; I50-I98 HydrophobicContact CG1-CD1 3.56Å; I50-I98 HydrophobicContact CG2-CD1 4.05Å |
| 51 | S | 92.3 | Very high | 90.2 | Very high | 51 Ų | 51 | 77.9 Ų | 77.9 | 36% | 0.357 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.7 | -37.1 | 178.9 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | R47 E54 Q55 | R47-S51 PolarHBondContact O-N 3Å; R47-S51 PolarHBondContact O-OG 2.84Å; S51-E54 PolarHBondContact O-N 3.1Å; S51-Q55 WeakPolarHBondContact O-CB 3.41Å; S51-Q55 VanDerWaalsContact O-CG 3.25Å; S51-Q55 WeakPolarHBondContact O-CG 3.34Å; S51-Q55 PolarHBondContact O-N 3.22Å |
| 52 | S | 92.9 | Very high | 90.5 | Very high | 64 Ų | 64 | 79.5 Ų | 79.5 | 45% | 0.448 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 175.9 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | H48 I50 K56 | H48-S52 VanDerWaalsContact O-CB 3.23Å; H48-S52 WeakPolarHBondContact O-CB 3.44Å; H48-S52 PolarHBondContact O-N 3.18Å; H48-S52 PolarHBondContact O-OG 3.32Å; I50-S52 VanDerWaalsContact C-N 3.28Å; I50-S52 PolarHBondContact O-N 3.23Å; S52-K56 VanDerWaalsContact O-CB 3.26Å; S52-K56 WeakPolarHBondContact O-CB 3.34Å; S52-K56 PolarHBondContact O-N 2.87Å |
| 53 | W | 91.9 | Very high | 90.5 | Very high | 34 Ų | 34 | 82.1 Ų | 82.1 | 13% | 0.129 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 175.9 | -176.5 | 91.9 | 0 | 0 | 0 | 111.6 | M49 I50 K56 N57 C59 M61 I98 L101 | M49-W53 WeakPolarHBondContact O-CB 3.49Å; M49-W53 PolarHBondContact O-N 3.36Å; I50-W53 WeakPolarHBondContact O-CB 3.25Å; I50-W53 PolarHBondContact O-N 2.8Å; I50-W53 VanDerWaalsContact O-N 3.08Å; W53-K56 PolarHBondContact O-N 2.77Å; W53-N57 HydrophobicContact CH2-CB 4.4Å; W53-N57 HydrophobicContact CZ2-CB 4.37Å; W53-N57 PolarHBondContact NE1-ND2 3.16Å; W53-N57 VanDerWaalsContact NE1-ND2 3.12Å; W53-N57 PolarHBondContact O-N 2.89Å; W53-N57 PolarHBondContact O-ND2 2.77Å; W53-C59 VanDerWaalsContact CZ3-SG 3.53Å; W53-M61 HydrophobicContact CD2-CE 4.3Å; W53-M61 HydrophobicContact CE3-CE 3.71Å; W53-M61 HydrophobicContact CH2-CE 4.16Å; W53-M61 HydrophobicContact CZ3-CB 4.33Å; W53-M61 HydrophobicContact CZ3-CE 3.64Å; W53-I98 HydrophobicContact CB-CD1 4.05Å; W53-I98 HydrophobicContact CB-CG1 3.82Å; W53-I98 HydrophobicContact CD2-CG1 4.24Å; W53-I98 HydrophobicContact CG-CD1 4.3Å; W53-I98 HydrophobicContact CG-CG1 3.74Å; W53-I98 PolarHBondContact NE1-O 2.97Å; W53-L101 HydrophobicContact CZ2-CB 3.76Å; W53-L101 HydrophobicContact CZ2-CD1 4.3Å; W53-L101 PolarHBondContact NE1-O 3.16Å |
| 54 | E | 91.9 | Very high | 90.7 | Very high | 30 Ų | 30 | 83.7 Ų | 83.7 | 14% | 0.14 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 176 | -74 | -176.1 | 126.5 | 0 | 0 | 111.8 | I50 S51 K56 N57 N58 C59 V60 M61 K66 | I50-E54 WeakPolarHBondContact O-CG 3.49Å; I50-E54 PolarHBondContact O-N 3.06Å; S51-E54 PolarHBondContact O-N 3.1Å; E54-K56 VanDerWaalsContact C-N 3.34Å; E54-K56 PolarHBondContact O-N 2.72Å; E54-N57 CarbonylContact O-C 3.59Å; E54-N57 PolarHBondContact O-N 2.79Å; E54-N58 WeakPolarHBondContact O-CA 3.12Å; E54-N58 PolarHBondContact O-N 2.75Å; E54-C59 VanDerWaalsContact CA-O 3.32Å; E54-C59 WeakPolarHBondContact CA-O 3.29Å; E54-C59 WeakPolarHBondContact CB-O 3.43Å; E54-C59 WeakPolarHBondContact CG-O 2.84Å; E54-C59 PolarHBondContact O-N 2.95Å; E54-C59 VanDerWaalsContact O-N 3.15Å; E54-V60 WeakPolarHBondContact OE1-CA 3.21Å; E54-M61 HydrophobicContact CG-CB 4.26Å; E54-M61 PolarHBondContact OE1-N 2.93Å; E54-K66 WeakPolarHBondContact OE1-CE 3.48Å; E54-K66 IonicContact OE1-NZ 3.7Å; E54-K66 PolarHBondContact OE1-NZ 3.39Å; E54-K66 IonicContact OE2-NZ 3.58Å |
| 55 | Q | 91.6 | Very high | 90.6 | Very high | 149 Ų | 149 | 82.4 Ų | 82.4 | 70% | 0.696 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61 | -42.8 | 175.7 | -72.6 | 172.8 | 39.9 | 0 | 0 | 111.6 | S51 N58 | S51-Q55 WeakPolarHBondContact O-CB 3.41Å; S51-Q55 VanDerWaalsContact O-CG 3.25Å; S51-Q55 WeakPolarHBondContact O-CG 3.34Å; S51-Q55 PolarHBondContact O-N 3.22Å; Q55-N58 PolarHBondContact O-N 2.76Å |
| 56 | K | 90.3 | Very high | 90.6 | Very high | 176 Ų | 176 | 83.7 Ų | 83.7 | 77% | 0.765 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.2 | -38.9 | 179.2 | -178.3 | 179.9 | 177.5 | -177 | 0 | 113 | S52 W53 E54 N58 | S52-K56 VanDerWaalsContact O-CB 3.26Å; S52-K56 WeakPolarHBondContact O-CB 3.34Å; S52-K56 PolarHBondContact O-N 2.87Å; W53-K56 PolarHBondContact O-N 2.77Å; E54-K56 VanDerWaalsContact C-N 3.34Å; E54-K56 PolarHBondContact O-N 2.72Å; K56-N58 VanDerWaalsContact C-N 3.34Å |
| 57 | N | 87 | Confident | 90.5 | Very high | 27 Ų | 27 | 81.6 Ų | 81.6 | 14% | 0.144 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -93.8 | 2.4 | -178.6 | -66.4 | -92.2 | 0 | 0 | 0 | 112.5 | W53 E54 C59 | W53-N57 HydrophobicContact CH2-CB 4.4Å; W53-N57 HydrophobicContact CZ2-CB 4.37Å; W53-N57 PolarHBondContact NE1-ND2 3.16Å; W53-N57 VanDerWaalsContact NE1-ND2 3.12Å; W53-N57 PolarHBondContact O-N 2.89Å; W53-N57 PolarHBondContact O-ND2 2.77Å; E54-N57 CarbonylContact O-C 3.59Å; E54-N57 PolarHBondContact O-N 2.79Å; N57-C59 PolarHBondContact O-N 3.35Å; N57-C59 VanDerWaalsContact O-N 3.13Å |
| 58 | N | 86.9 | Confident | 90.5 | Very high | 155 Ų | 155 | 74.8 Ų | 74.8 | 83% | 0.829 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 37.7 | -179.5 | -141.4 | 87.3 | 0 | 0 | 0 | 113.1 | E54 Q55 K56 | E54-N58 WeakPolarHBondContact O-CA 3.12Å; E54-N58 PolarHBondContact O-N 2.75Å; Q55-N58 PolarHBondContact O-N 2.76Å; K56-N58 VanDerWaalsContact C-N 3.34Å |
| 59 | C | 86 | Confident | 90.4 | Very high | 44 Ų | 44 | 70.3 Ų | 70.3 | 30% | 0.297 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -139.7 | 159.4 | -176.1 | 72.1 | 0 | 0 | 0 | 0 | 111.5 | W53 E54 N57 | W53-C59 VanDerWaalsContact CZ3-SG 3.53Å; E54-C59 VanDerWaalsContact CA-O 3.32Å; E54-C59 WeakPolarHBondContact CA-O 3.29Å; E54-C59 WeakPolarHBondContact CB-O 3.43Å; E54-C59 WeakPolarHBondContact CG-O 2.84Å; E54-C59 PolarHBondContact O-N 2.95Å; E54-C59 VanDerWaalsContact O-N 3.15Å; N57-C59 PolarHBondContact O-N 3.35Å; N57-C59 VanDerWaalsContact O-N 3.13Å |
| 60 | V | 87.8 | Confident | 90.3 | Very high | 122 Ų | 122 | 69.2 Ų | 69.2 | 74% | 0.739 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -103.7 | 122.4 | 175 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | E54 | E54-V60 WeakPolarHBondContact OE1-CA 3.21Š|
| 61 | M | 88.1 | Confident | 90.2 | Very high | 8 Ų | 8 | 74.5 Ų | 74.5 | 4% | 0.039 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 139.1 | 176.1 | 179.2 | 177.9 | -75.3 | 0 | 0 | 109.7 | I50 W53 E54 V65 K66 Y69 I98 L101 | I50-M61 HydrophobicContact CG2-SD 4.38Å; W53-M61 HydrophobicContact CD2-CE 4.3Å; W53-M61 HydrophobicContact CE3-CE 3.71Å; W53-M61 HydrophobicContact CH2-CE 4.16Å; W53-M61 HydrophobicContact CZ3-CB 4.33Å; W53-M61 HydrophobicContact CZ3-CE 3.64Å; E54-M61 HydrophobicContact CG-CB 4.26Å; E54-M61 PolarHBondContact OE1-N 2.93Å; M61-V65 HydrophobicContact CE-CG1 4.06Å; M61-V65 HydrophobicContact CG-CB 3.62Å; M61-V65 HydrophobicContact CG-CG1 3.69Å; M61-V65 HydrophobicContact SD-CB 3.93Å; M61-V65 HydrophobicContact SD-CG1 3.48Å; M61-V65 WeakPolarHBondContact SD-CG1 3.47Å; M61-K66 HydrophobicContact CB-CG 3.97Å; M61-K66 HydrophobicContact CG-CG 3.86Å; M61-K66 WeakPolarHBondContact O-CE 3.2Å; M61-K66 PolarHBondContact O-NZ 3.27Å; M61-K66 HydrophobicContact SD-CG 3.95Å; M61-Y69 HydrophobicContact CE-CD2 4.18Å; M61-Y69 HydrophobicContact CE-CE2 4.23Å; M61-Y69 HydrophobicContact SD-CD2 3.9Å; M61-Y69 HydrophobicContact SD-CE2 4.42Å; M61-I98 HydrophobicContact CE-CD1 3.8Å; M61-I98 HydrophobicContact CE-CG1 4.26Å; M61-I98 HydrophobicContact SD-CD1 4.32Å; M61-L101 HydrophobicContact CE-CD1 3.77Å |
| 62 | P | 91.3 | Very high | 90.1 | Very high | 83 Ų | 83 | 72.5 Ų | 72.5 | 54% | 0.539 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 147.1 | 174.3 | -23.2 | 33 | 0 | 0 | 0 | 111.7 | D64 V65 K66 | P62-D64 VanDerWaalsContact C-N 3.27Å; P62-D64 PolarHBondContact O-N 3.04Å; P62-V65 HydrophobicContact CB-CG2 4.12Å; P62-V65 HydrophobicContact CG-CG2 4.22Å; P62-V65 PolarHBondContact O-N 3.32Å; P62-K66 PolarHBondContact O-N 3.25Å |
| 63 | E | 90.1 | Very high | 90 | Very high | 111 Ų | 111 | 70.5 Ų | 70.5 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.9 | -38.3 | -173.6 | -167.8 | 58.7 | -157.5 | 0 | 0 | 112.4 | V65 K66 N67 | E63-V65 VanDerWaalsContact C-N 3.31Å; E63-V65 PolarHBondContact O-N 2.79Å; E63-K66 WeakPolarHBondContact O-CB 3.33Å; E63-K66 PolarHBondContact O-N 3.04Å; E63-N67 WeakPolarHBondContact O-CB 3.42Å; E63-N67 PolarHBondContact O-N 3.04Å; E63-N67 PolarHBondContact O-ND2 2.74Å |
| 64 | D | 90.4 | Very high | 89.9 | Confident | 133 Ų | 133 | 68.9 Ų | 68.9 | 71% | 0.711 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.9 | -38.1 | 177.1 | -59.7 | -37.3 | 0 | 0 | 0 | 112.2 | P62 N67 F68 | P62-D64 VanDerWaalsContact C-N 3.27Å; P62-D64 PolarHBondContact O-N 3.04Å; D64-N67 PolarHBondContact O-N 3.01Å; D64-F68 WeakPolarHBondContact O-CB 3.34Å; D64-F68 PolarHBondContact O-N 2.87Å |
| 65 | V | 89.9 | Confident | 89.8 | Confident | 57 Ų | 57 | 67.8 Ų | 67.8 | 35% | 0.345 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -72.2 | -38.2 | 178.4 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | M61 P62 E63 F68 Y69 | M61-V65 HydrophobicContact CE-CG1 4.06Å; M61-V65 HydrophobicContact CG-CB 3.62Å; M61-V65 HydrophobicContact CG-CG1 3.69Å; M61-V65 HydrophobicContact SD-CB 3.93Å; M61-V65 HydrophobicContact SD-CG1 3.48Å; M61-V65 WeakPolarHBondContact SD-CG1 3.47Å; P62-V65 HydrophobicContact CB-CG2 4.12Å; P62-V65 HydrophobicContact CG-CG2 4.22Å; P62-V65 PolarHBondContact O-N 3.32Å; E63-V65 VanDerWaalsContact C-N 3.31Å; E63-V65 PolarHBondContact O-N 2.79Å; V65-F68 WeakPolarHBondContact O-CB 2.98Å; V65-F68 PolarHBondContact O-N 2.85Å; V65-Y69 HydrophobicContact CG1-CD2 3.84Å; V65-Y69 HydrophobicContact CG1-CE2 3.66Å; V65-Y69 WeakPolarHBondContact O-CD2 3.33Å; V65-Y69 PolarHBondContact O-N 3.02Å |
| 66 | K | 91.9 | Very high | 89.8 | Confident | 34 Ų | 34 | 63.8 Ų | 63.8 | 15% | 0.148 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 172 | -66.3 | 177.5 | 173.2 | 163.1 | 0 | 111.1 | I50 E54 M61 P62 E63 F68 Y69 L70 | I50-K66 HydrophobicContact CG2-CD 4.48Å; I50-K66 HydrophobicContact CG2-CG 3.98Å; E54-K66 WeakPolarHBondContact OE1-CE 3.48Å; E54-K66 IonicContact OE1-NZ 3.7Å; E54-K66 PolarHBondContact OE1-NZ 3.39Å; E54-K66 IonicContact OE2-NZ 3.58Å; M61-K66 HydrophobicContact CB-CG 3.97Å; M61-K66 HydrophobicContact CG-CG 3.86Å; M61-K66 WeakPolarHBondContact O-CE 3.2Å; M61-K66 PolarHBondContact O-NZ 3.27Å; M61-K66 HydrophobicContact SD-CG 3.95Å; P62-K66 PolarHBondContact O-N 3.25Å; E63-K66 WeakPolarHBondContact O-CB 3.33Å; E63-K66 PolarHBondContact O-N 3.04Å; K66-F68 VanDerWaalsContact C-N 3.26Å; K66-F68 PolarHBondContact O-N 3.19Å; K66-Y69 PolarHBondContact O-N 2.91Å; K66-Y69 VanDerWaalsContact O-N 3.13Å; K66-L70 WeakPolarHBondContact O-CB 3.45Å; K66-L70 VanDerWaalsContact O-CG 3.27Å; K66-L70 WeakPolarHBondContact O-CG 3.5Å; K66-L70 PolarHBondContact O-N 3.43Å |
| 67 | N | 91.6 | Very high | 89.8 | Confident | 78 Ų | 78 | 55.4 Ų | 55.4 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 178.5 | -74.7 | -34.6 | 0 | 0 | 0 | 111.5 | E63 D64 L70 M71 | E63-N67 WeakPolarHBondContact O-CB 3.42Å; E63-N67 PolarHBondContact O-N 3.04Å; E63-N67 PolarHBondContact O-ND2 2.74Å; D64-N67 PolarHBondContact O-N 3.01Å; N67-L70 PolarHBondContact O-N 3.34Å; N67-M71 WeakPolarHBondContact O-CB 3.32Å; N67-M71 PolarHBondContact O-N 3.21Å |
| 68 | F | 91.3 | Very high | 90.1 | Very high | 40 Ų | 40 | 56 Ų | 56 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.5 | -53.5 | 171.1 | 172.2 | -100 | 0 | 0 | 0 | 111.6 | L20 D64 V65 K66 L70 M71 T72 I95 | L20-F68 HydrophobicContact CD1-CD2 3.74Å; L20-F68 HydrophobicContact CD1-CE2 3.37Å; L20-F68 HydrophobicContact CD1-CZ 4.49Å; L20-F68 HydrophobicContact CD2-CE2 3.79Å; L20-F68 HydrophobicContact CG-CE2 4.18Å; D64-F68 WeakPolarHBondContact O-CB 3.34Å; D64-F68 PolarHBondContact O-N 2.87Å; V65-F68 WeakPolarHBondContact O-CB 2.98Å; V65-F68 PolarHBondContact O-N 2.85Å; K66-F68 VanDerWaalsContact C-N 3.26Å; K66-F68 PolarHBondContact O-N 3.19Å; F68-L70 VanDerWaalsContact C-N 3.32Å; F68-L70 PolarHBondContact O-N 2.87Å; F68-M71 CarbonylContact O-C 3.53Å; F68-M71 WeakPolarHBondContact O-CB 3.33Å; F68-M71 PolarHBondContact O-N 3.13Å; F68-T72 HydrophobicContact CD2-CG2 4.05Å; F68-T72 HydrophobicContact CE2-CG2 3.4Å; F68-T72 HydrophobicContact CZ-CG2 3.72Å; F68-T72 PolarHBondContact O-N 2.97Å; F68-I95 HydrophobicContact CE1-CD1 4.46Å; F68-I95 HydrophobicContact CE1-CG2 3.67Å; F68-I95 HydrophobicContact CE2-CD1 4.49Å; F68-I95 HydrophobicContact CZ-CB 4.38Å; F68-I95 HydrophobicContact CZ-CD1 3.9Å; F68-I95 HydrophobicContact CZ-CG2 3.89Å |
| 69 | Y | 91.4 | Very high | 90.4 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.4 | -32.5 | -179.6 | -79.4 | -68.4 | 0 | 0 | 0 | 113.6 | A45 M61 V65 K66 M71 T72 N73 N96 I98 L101 | A45-Y69 VanDerWaalsContact CB-O 3.23Å; A45-Y69 WeakPolarHBondContact CB-O 3.46Å; A45-Y69 PolarHBondContact N-O 3.38Å; M61-Y69 HydrophobicContact CE-CD2 4.18Å; M61-Y69 HydrophobicContact CE-CE2 4.23Å; M61-Y69 HydrophobicContact SD-CD2 3.9Å; M61-Y69 HydrophobicContact SD-CE2 4.42Å; V65-Y69 HydrophobicContact CG1-CD2 3.84Å; V65-Y69 HydrophobicContact CG1-CE2 3.66Å; V65-Y69 WeakPolarHBondContact O-CD2 3.33Å; V65-Y69 PolarHBondContact O-N 3.02Å; K66-Y69 PolarHBondContact O-N 2.91Å; K66-Y69 VanDerWaalsContact O-N 3.13Å; Y69-M71 VanDerWaalsContact C-N 3.28Å; Y69-T72 WeakPolarHBondContact CA-O 3.43Å; Y69-T72 CarbonylContact O-C 3.57Å; Y69-N73 WeakPolarHBondContact CD1-OD1 3.43Å; Y69-N96 VanDerWaalsContact CE1-O 3.28Å; Y69-N96 WeakPolarHBondContact CE1-O 3.19Å; Y69-N96 PolarHBondContact OH-O 2.85Å; Y69-I98 HydrophobicContact CD1-CB 3.93Å; Y69-I98 HydrophobicContact CD2-CD1 4.43Å; Y69-I98 HydrophobicContact CE1-CB 4.13Å; Y69-I98 HydrophobicContact CG-CB 4.25Å; Y69-I98 HydrophobicContact CG-CD1 4.4Å; Y69-L101 HydrophobicContact CE2-CD1 3.68Å; Y69-L101 WeakPolarHBondContact OH-CD1 3.29Å; Y69-L101 WeakPolarHBondContact OH-CD2 3.48Å |
| 70 | L | 90.7 | Very high | 90.7 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 22% | 0.22 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.4 | -23.4 | 172.6 | -69.9 | 174.6 | 0 | 0 | 0 | 112.9 | P44 R47 I50 K66 N67 F68 | P44-L70 WeakPolarHBondContact CB-O 3.34Å; R47-L70 HydrophobicContact CG-CD2 3.67Å; I50-L70 HydrophobicContact CD1-CD1 4.4Å; I50-L70 HydrophobicContact CD1-CD2 3.59Å; I50-L70 HydrophobicContact CD1-CG 3.59Å; K66-L70 WeakPolarHBondContact O-CB 3.45Å; K66-L70 VanDerWaalsContact O-CG 3.27Å; K66-L70 WeakPolarHBondContact O-CG 3.5Å; K66-L70 PolarHBondContact O-N 3.43Å; N67-L70 PolarHBondContact O-N 3.34Å; F68-L70 VanDerWaalsContact C-N 3.32Å; F68-L70 PolarHBondContact O-N 2.87Å |
| 71 | M | 88.9 | Confident | 90.9 | Very high | 118 Ų | 118 | 44.8 Ų | 44.8 | 58% | 0.581 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -88.8 | -41.7 | 174.9 | -175.3 | 176.8 | -178.5 | 0 | 0 | 111.8 | H16 N67 F68 Y69 | H16-M71 HydrophobicContact CB-CE 3.57Å; N67-M71 WeakPolarHBondContact O-CB 3.32Å; N67-M71 PolarHBondContact O-N 3.21Å; F68-M71 CarbonylContact O-C 3.53Å; F68-M71 WeakPolarHBondContact O-CB 3.33Å; F68-M71 PolarHBondContact O-N 3.13Å; Y69-M71 VanDerWaalsContact C-N 3.28Å |
| 72 | T | 89.5 | Confident | 91 | Very high | 8 Ų | 8 | 49.8 Ų | 49.8 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | trans | -155.5 | 129.8 | 178.3 | -176 | 0 | 0 | 0 | 0 | 110.6 | L20 K42 F68 Y69 G74 | L20-T72 HydrophobicContact CD2-CG2 4.03Å; K42-T72 PolarHBondContact O-OG1 3.46Å; K42-T72 VanDerWaalsContact O-OG1 3.08Å; F68-T72 HydrophobicContact CD2-CG2 4.05Å; F68-T72 HydrophobicContact CE2-CG2 3.4Å; F68-T72 HydrophobicContact CZ-CG2 3.72Å; F68-T72 PolarHBondContact O-N 2.97Å; Y69-T72 WeakPolarHBondContact CA-O 3.43Å; Y69-T72 CarbonylContact O-C 3.57Å; T72-G74 PolarHBondContact O-N 3.03Å; T72-G74 PolarHBondContact OG1-O 3.09Å | ||
| 73 | N | 91.1 | Very high | 90.8 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 12% | 0.118 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -81.8 | 50.2 | -177.4 | -168.7 | 14 | 0 | 0 | 0 | 113 | K42 P43 A45 Y69 S97 I98 | K42-N73 HydrophobicContact CB-CB 4.27Å; K42-N73 WeakPolarHBondContact CB-O 3.43Å; K42-N73 VanDerWaalsContact CD-O 3.28Å; K42-N73 WeakPolarHBondContact CD-O 3.16Å; K42-N73 PolarHBondContact O-N 2.81Å; P43-N73 WeakPolarHBondContact O-CB 3.27Å; P43-N73 PolarHBondContact O-N 3.37Å; P43-N73 VanDerWaalsContact O-N 3.15Å; A45-N73 HydrophobicContact CB-CB 4.04Å; Y69-N73 WeakPolarHBondContact CD1-OD1 3.43Å; N73-S97 VanDerWaalsContact O-CA 3.3Å; N73-S97 WeakPolarHBondContact O-CA 3.32Å; N73-S97 WeakPolarHBondContact O-CB 3.44Å; N73-S97 PolarHBondContact O-OG 3.15Å; N73-S97 VanDerWaalsContact OD1-CA 3.25Å; N73-S97 WeakPolarHBondContact OD1-CA 3.48Å; N73-S97 WeakPolarHBondContact OD1-CB 3.47Å; N73-I98 PolarHBondContact OD1-N 3.38Å |
| 74 | G | 90.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | 82.7 | 176.8 | -170 | 0 | 0 | 0 | 0 | 0 | 113.5 | K42 T72 I95 | K42-G74 VanDerWaalsContact CB-O 3.27Å; K42-G74 WeakPolarHBondContact CB-O 3.39Å; K42-G74 PolarHBondContact N-O 3.19Å; K42-G74 VanDerWaalsContact N-O 3.09Å; T72-G74 PolarHBondContact O-N 3.03Å; T72-G74 PolarHBondContact OG1-O 3.09Å; G74-I95 VanDerWaalsContact CA-O 3.32Å; G74-I95 WeakPolarHBondContact CA-O 3.4Å | ||
| 75 | F | 90.8 | Very high | 90.4 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 163.2 | 178.3 | 66.2 | -97.3 | 0 | 0 | 0 | 110.2 | L20 T21 I40 M77 M93 A94 I95 | L20-F75 HydrophobicContact CD2-CD1 3.7Å; L20-F75 HydrophobicContact CD2-CE1 3.83Å; L20-F75 HydrophobicContact CG-CD1 4.47Å; L20-F75 HydrophobicContact CG-CE1 4.1Å; T21-F75 HydrophobicContact CG2-CE2 4.32Å; T21-F75 HydrophobicContact CG2-CZ 4.13Å; I40-F75 CarbonylContact O-C 3.6Å; I40-F75 WeakPolarHBondContact O-CA 3.48Å; F75-M77 HydrophobicContact CD2-CB 4.23Å; F75-M77 HydrophobicContact CE2-CB 4.18Å; F75-M93 HydrophobicContact CE2-CG 4.15Å; F75-M93 HydrophobicContact CE2-SD 4.32Å; F75-M93 HydrophobicContact CZ-SD 4.38Å; F75-A94 CarbonylContact O-C 3.56Å; F75-A94 WeakPolarHBondContact O-CA 3.43Å; F75-I95 HydrophobicContact CD1-CB 4.07Å; F75-I95 HydrophobicContact CD1-CD1 3.94Å; F75-I95 HydrophobicContact CD1-CG1 3.96Å; F75-I95 HydrophobicContact CE1-CB 4.1Å; F75-I95 HydrophobicContact CE1-CD1 3.22Å; F75-I95 HydrophobicContact CE1-CG1 3.46Å; F75-I95 VanDerWaalsContact CE1-CG1 3.46Å; F75-I95 HydrophobicContact CZ-CD1 3.84Å; F75-I95 HydrophobicContact CZ-CG1 3.77Å; F75-I95 PolarHBondContact N-O 3.01Å; F75-I95 PolarHBondContact O-N 2.87Å |
| 76 | H | 90.6 | Very high | 90.3 | Very high | 65 Ų | 65 | 57.5 Ų | 57.5 | 30% | 0.301 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 121.5 | 170.3 | -175.7 | -139.4 | 0 | 0 | 0 | 108.9 | I40 T78 | I40-H76 HydrophobicContact CB-CB 4.44Å; I40-H76 PolarHBondContact N-O 2.73Å; I40-H76 PolarHBondContact O-N 3.08Å; H76-T78 WeakPolarHBondContact CE1-CG2 3.4Å; H76-T78 WeakPolarHBondContact NE2-CG2 3.05Å |
| 77 | M | 90.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.9 | 178.4 | 178.1 | 172 | -155.7 | 0 | 0 | 108.5 | I24 T25 L28 V37 T38 I39 F75 W79 S92 M93 | I24-M77 HydrophobicContact CG2-CE 4.15Å; I24-M77 HydrophobicContact CG2-SD 3.93Å; T25-M77 HydrophobicContact CG2-CE 3.73Å; L28-M77 HydrophobicContact CD1-CE 3.53Å; L28-M77 HydrophobicContact CD1-SD 4.27Å; V37-M77 HydrophobicContact CG1-CE 3.51Å; T38-M77 CarbonylContact O-C 3.56Å; T38-M77 VanDerWaalsContact O-CA 3.25Å; T38-M77 WeakPolarHBondContact O-CA 2.78Å; I39-M77 HydrophobicContact CD1-CE 3.85Å; I39-M77 HydrophobicContact CD1-SD 4.12Å; I39-M77 HydrophobicContact CG1-CB 4.11Å; I39-M77 HydrophobicContact CG1-CE 3.87Å; I39-M77 HydrophobicContact CG1-CG 3.81Å; I39-M77 HydrophobicContact CG1-SD 4.03Å; F75-M77 HydrophobicContact CD2-CB 4.23Å; F75-M77 HydrophobicContact CE2-CB 4.18Å; M77-W79 HydrophobicContact CG-CE3 4.31Å; M77-W79 HydrophobicContact CG-CZ3 4.45Å; M77-S92 CarbonylContact O-C 3.54Å; M77-S92 VanDerWaalsContact O-CA 3.25Å; M77-S92 WeakPolarHBondContact O-CA 2.89Å; M77-M93 WeakPolarHBondContact CA-O 3.23Å; M77-M93 HydrophobicContact CB-CB 4.26Å; M77-M93 PolarHBondContact N-O 2.83Å; M77-M93 PolarHBondContact O-N 2.89Å |
| 78 | T | 92.6 | Very high | 90 | Very high | 40 Ų | 40 | 59.8 Ų | 59.8 | 25% | 0.245 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.8 | 177.6 | 41 | 0 | 0 | 0 | 0 | 109.9 | V37 T38 H76 G91 | V37-T78 WeakPolarHBondContact CA-O 3.28Å; T38-T78 PolarHBondContact N-O 2.65Å; T38-T78 PolarHBondContact O-N 3Å; T38-T78 PolarHBondContact OG1-O 2.87Å; T38-T78 PolarHBondContact OG1-OG1 3.09Å; H76-T78 WeakPolarHBondContact CE1-CG2 3.4Å; H76-T78 WeakPolarHBondContact NE2-CG2 3.05Å; T78-G91 WeakPolarHBondContact CA-O 3.4Å |
| 79 | W | 93.3 | Very high | 90 | Very high | 44 Ų | 44 | 63 Ų | 63 | 17% | 0.167 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 144.3 | 172.8 | 61.9 | 93 | 0 | 0 | 0 | 110.4 | L28 V34 V37 M77 L90 G91 M93 | L28-W79 HydrophobicContact CD1-CB 4.48Å; L28-W79 HydrophobicContact CD1-CD2 3.79Å; L28-W79 HydrophobicContact CD1-CE3 3.61Å; L28-W79 HydrophobicContact CD1-CG 4.19Å; L28-W79 HydrophobicContact CD1-CZ3 4.11Å; L28-W79 HydrophobicContact CD2-CD2 3.87Å; L28-W79 HydrophobicContact CD2-CE3 4.46Å; L28-W79 HydrophobicContact CD2-CG 3.98Å; L28-W79 HydrophobicContact CD2-CZ2 4.38Å; V34-W79 HydrophobicContact CG1-CB 4.14Å; V34-W79 HydrophobicContact CG1-CG 4.5Å; V37-W79 HydrophobicContact CG2-CB 4.08Å; M77-W79 HydrophobicContact CG-CE3 4.31Å; M77-W79 HydrophobicContact CG-CZ3 4.45Å; W79-L90 PolarHBondContact O-N 2.86Å; W79-G91 VanDerWaalsContact CE2-CA 3.48Å; W79-G91 PolarHBondContact N-O 3.21Å; W79-G91 PolarHBondContact O-N 2.78Å; W79-G91 VanDerWaalsContact O-N 3.16Å; W79-M93 HydrophobicContact CH2-CB 4.42Å; W79-M93 HydrophobicContact CZ3-CB 4.01Å |
| 80 | S | 92.4 | Very high | 89.8 | Confident | 11 Ų | 11 | 68 Ų | 68 | 8% | 0.077 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 164.8 | 173.7 | -58 | 0 | 0 | 0 | 0 | 109.6 | V34 T35 E36 I87 I88 | V34-S80 WeakPolarHBondContact CA-O 3.49Å; T35-S80 PolarHBondContact N-O 3.32Å; T35-S80 CarbonylContact O-C 3.47Å; T35-S80 WeakPolarHBondContact O-CA 3.36Å; T35-S80 PolarHBondContact O-N 2.87Å; E36-S80 WeakPolarHBondContact OE2-CB 3.07Å; E36-S80 PolarHBondContact OE2-OG 2.69Å; S80-I87 VanDerWaalsContact CB-CG2 3.42Å; S80-I88 CarbonylContact C-O 3.42Å; S80-I88 VanDerWaalsContact CA-O 3.24Å; S80-I88 WeakPolarHBondContact CA-O 3.25Å; S80-I88 WeakPolarHBondContact CB-O 3.44Å |
| 81 | V | 92.2 | Very high | 89.7 | Confident | 30 Ų | 30 | 67 Ų | 67 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 139.8 | 165.1 | -64.5 | 0 | 0 | 0 | 0 | 109.7 | G33 V34 I88 L90 | G33-V81 CarbonylContact O-C 3.49Å; G33-V81 WeakPolarHBondContact O-CA 3.45Å; G33-V81 WeakPolarHBondContact O-CB 3.3Å; V34-V81 HydrophobicContact CG2-CG1 4.08Å; V81-I88 HydrophobicContact CG2-CB 4.37Å; V81-I88 PolarHBondContact N-O 3.34Å; V81-I88 PolarHBondContact O-N 3.08Å; V81-L90 HydrophobicContact CB-CB 4.48Å; V81-L90 HydrophobicContact CG1-CB 3.9Å; V81-L90 HydrophobicContact CG1-CD2 3.49Å; V81-L90 VanDerWaalsContact CG1-CD2 3.49Å; V81-L90 HydrophobicContact CG1-CG 4.23Å; V81-L90 HydrophobicContact CG2-CB 4Å; V81-L90 HydrophobicContact CG2-CD1 4.2Å; V81-L90 HydrophobicContact CG2-CD2 4.34Å; V81-L90 HydrophobicContact CG2-CG 4.4Å |
| 82 | K | 89.8 | Confident | 89.8 | Confident | 113 Ų | 113 | 65.3 Ų | 65.3 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 110.4 | 170.4 | -174.4 | 175.7 | 178.7 | 178 | 0 | 108.7 | G33 T35 D84 H86 | G33-K82 PolarHBondContact O-N 3.23Å; T35-K82 HydrophobicContact CG2-CB 3.8Å; K82-D84 WeakPolarHBondContact CE-O 3.47Å; K82-H86 WeakPolarHBondContact CA-O 3.28Å |
| 83 | L | 87.3 | Confident | 89.9 | Confident | 106 Ų | 106 | 68.3 Ų | 68.3 | 56% | 0.555 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 112.8 | 170.6 | -172.2 | 69.3 | 0 | 0 | 0 | 107.9 | E85 H86 I88 | L83-E85 PolarHBondContact O-N 2.84Å; L83-H86 PolarHBondContact N-O 3.46Å; L83-H86 PolarHBondContact O-N 3.34Å; L83-I88 HydrophobicContact CB-CD1 4.28Å; L83-I88 HydrophobicContact CD2-CD1 4.35Å |
| 84 | D | 86.8 | Confident | 89.8 | Confident | 137 Ų | 137 | 70 Ų | 70 | 73% | 0.733 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | -116.6 | -172 | -55.7 | -45.4 | 0 | 0 | 0 | 112.4 | K82 | K82-D84 WeakPolarHBondContact CE-O 3.47Š|
| 85 | E | 84.9 | Confident | 89.8 | Confident | 171 Ų | 171 | 72.8 Ų | 72.8 | 80% | 0.799 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -2.3 | 177.4 | -70.7 | -82.9 | 123.8 | 0 | 0 | 112.8 | L83 | L83-E85 PolarHBondContact O-N 2.84Š|
| 86 | H | 87.6 | Confident | 89.9 | Confident | 133 Ų | 133 | 76.1 Ų | 76.1 | 62% | 0.616 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 135.7 | -175 | -59.8 | 103.2 | 0 | 0 | 0 | 112.2 | K82 L83 I88 | K82-H86 WeakPolarHBondContact CA-O 3.28Å; L83-H86 PolarHBondContact N-O 3.46Å; L83-H86 PolarHBondContact O-N 3.34Å; H86-I88 HydrophobicContact CB-CG1 4.44Å |
| 87 | I | 89.1 | Confident | 89.9 | Confident | 86 Ų | 86 | 73.7 Ų | 73.7 | 44% | 0.441 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 119.4 | 169.4 | -58.5 | 175.7 | 0 | 0 | 0 | 107.6 | E36 S80 | E36-I87 HydrophobicContact CG-CG2 4.34Å; E36-I87 WeakPolarHBondContact OE2-CG2 3.27Å; S80-I87 VanDerWaalsContact CB-CG2 3.42Å |
| 88 | I | 89.8 | Confident | 90 | Very high | 74 Ų | 74 | 73.8 Ų | 73.8 | 38% | 0.379 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.9 | -176.7 | -56.4 | 174.9 | 0 | 0 | 0 | 108.3 | S80 V81 L83 H86 L90 | S80-I88 CarbonylContact C-O 3.42Å; S80-I88 VanDerWaalsContact CA-O 3.24Å; S80-I88 WeakPolarHBondContact CA-O 3.25Å; S80-I88 WeakPolarHBondContact CB-O 3.44Å; V81-I88 HydrophobicContact CG2-CB 4.37Å; V81-I88 PolarHBondContact N-O 3.34Å; V81-I88 PolarHBondContact O-N 3.08Å; L83-I88 HydrophobicContact CB-CD1 4.28Å; L83-I88 HydrophobicContact CD2-CD1 4.35Å; H86-I88 HydrophobicContact CB-CG1 4.44Å; I88-L90 PolarHBondContact O-N 3.11Å; I88-L90 VanDerWaalsContact O-N 3.1Å |
| 89 | P | 89.7 | Confident | 89.8 | Confident | 108 Ų | 108 | 75.5 Ų | 75.5 | 70% | 0.701 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 113.3 | 172.3 | 26.9 | -32.2 | 0 | 0 | 0 | 109 | ||
| 90 | L | 88.7 | Confident | 89.5 | Confident | 114 Ų | 114 | 80.4 Ų | 80.4 | 60% | 0.597 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -43.5 | -172.3 | -172.7 | 74.5 | 0 | 0 | 0 | 111.8 | W79 V81 I88 | W79-L90 PolarHBondContact O-N 2.86Å; V81-L90 HydrophobicContact CB-CB 4.48Å; V81-L90 HydrophobicContact CG1-CB 3.9Å; V81-L90 HydrophobicContact CG1-CD2 3.49Å; V81-L90 VanDerWaalsContact CG1-CD2 3.49Å; V81-L90 HydrophobicContact CG1-CG 4.23Å; V81-L90 HydrophobicContact CG2-CB 4Å; V81-L90 HydrophobicContact CG2-CD1 4.2Å; V81-L90 HydrophobicContact CG2-CD2 4.34Å; V81-L90 HydrophobicContact CG2-CG 4.4Å; I88-L90 PolarHBondContact O-N 3.11Å; I88-L90 VanDerWaalsContact O-N 3.1Å |
| 91 | G | 88.7 | Confident | 89.3 | Confident | 19 Ų | 19 | 82.2 Ų | 82.2 | 20% | 0.196 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 151.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T78 W79 | T78-G91 WeakPolarHBondContact CA-O 3.4Å; W79-G91 VanDerWaalsContact CE2-CA 3.48Å; W79-G91 PolarHBondContact N-O 3.21Å; W79-G91 PolarHBondContact O-N 2.78Å; W79-G91 VanDerWaalsContact O-N 3.16Å |
| 92 | S | 90.6 | Very high | 88.8 | Confident | 83 Ų | 83 | 85.8 Ų | 85.8 | 58% | 0.58 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 140.5 | 174.5 | 66.4 | 0 | 0 | 0 | 0 | 110.1 | M77 | M77-S92 CarbonylContact O-C 3.54Å; M77-S92 VanDerWaalsContact O-CA 3.25Å; M77-S92 WeakPolarHBondContact O-CA 2.89Å |
| 93 | M | 90.4 | Very high | 88.1 | Confident | 71 Ų | 71 | 85.2 Ų | 85.2 | 35% | 0.35 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 125.4 | 172.3 | 173.2 | 179.3 | -69.1 | 0 | 0 | 107.4 | I24 F75 M77 W79 | I24-M93 HydrophobicContact CD1-CE 3.82Å; I24-M93 HydrophobicContact CD1-SD 3.83Å; F75-M93 HydrophobicContact CE2-CG 4.15Å; F75-M93 HydrophobicContact CE2-SD 4.32Å; F75-M93 HydrophobicContact CZ-SD 4.38Å; M77-M93 WeakPolarHBondContact CA-O 3.23Å; M77-M93 HydrophobicContact CB-CB 4.26Å; M77-M93 PolarHBondContact N-O 2.83Å; M77-M93 PolarHBondContact O-N 2.89Å; W79-M93 HydrophobicContact CH2-CB 4.42Å; W79-M93 HydrophobicContact CZ3-CB 4.01Å |
| 94 | A | 90.4 | Very high | 87.3 | Confident | 58 Ų | 58 | 87.9 Ų | 87.9 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 134.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F75 | F75-A94 CarbonylContact O-C 3.56Å; F75-A94 WeakPolarHBondContact O-CA 3.43Å |
| 95 | I | 90.3 | Very high | 86.2 | Confident | 58 Ų | 58 | 85.5 Ų | 85.5 | 30% | 0.297 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 123 | 158.7 | -60.3 | -170.6 | 0 | 0 | 0 | 108 | F68 G74 F75 | F68-I95 HydrophobicContact CE1-CD1 4.46Å; F68-I95 HydrophobicContact CE1-CG2 3.67Å; F68-I95 HydrophobicContact CE2-CD1 4.49Å; F68-I95 HydrophobicContact CZ-CB 4.38Å; F68-I95 HydrophobicContact CZ-CD1 3.9Å; F68-I95 HydrophobicContact CZ-CG2 3.89Å; G74-I95 VanDerWaalsContact CA-O 3.32Å; G74-I95 WeakPolarHBondContact CA-O 3.4Å; F75-I95 HydrophobicContact CD1-CB 4.07Å; F75-I95 HydrophobicContact CD1-CD1 3.94Å; F75-I95 HydrophobicContact CD1-CG1 3.96Å; F75-I95 HydrophobicContact CE1-CB 4.1Å; F75-I95 HydrophobicContact CE1-CD1 3.22Å; F75-I95 HydrophobicContact CE1-CG1 3.46Å; F75-I95 VanDerWaalsContact CE1-CG1 3.46Å; F75-I95 HydrophobicContact CZ-CD1 3.84Å; F75-I95 HydrophobicContact CZ-CG1 3.77Å; F75-I95 PolarHBondContact N-O 3.01Å; F75-I95 PolarHBondContact O-N 2.87Å |
| 96 | N | 91.4 | Very high | 84.8 | Confident | 77 Ų | 77 | 86.3 Ų | 86.3 | 41% | 0.412 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 147.8 | 179.6 | -77.8 | -47 | 0 | 0 | 0 | 111.4 | Y69 K100 L101 | Y69-N96 VanDerWaalsContact CE1-O 3.28Å; Y69-N96 WeakPolarHBondContact CE1-O 3.19Å; Y69-N96 PolarHBondContact OH-O 2.85Å; N96-K100 HydrophobicContact CB-CB 4.14Å; N96-L101 HydrophobicContact CB-CD2 4.39Å |
| 97 | S | 91.1 | Very high | 83 | Confident | 15 Ų | 15 | 82.4 Ų | 82.4 | 11% | 0.105 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 154.7 | 169.4 | -56.6 | 0 | 0 | 0 | 0 | 110 | K42 N73 S99 K100 L101 | K42-S97 WeakPolarHBondContact CD-OG 3.5Å; K42-S97 PolarHBondContact NZ-OG 2.82Å; N73-S97 VanDerWaalsContact O-CA 3.3Å; N73-S97 WeakPolarHBondContact O-CA 3.32Å; N73-S97 WeakPolarHBondContact O-CB 3.44Å; N73-S97 PolarHBondContact O-OG 3.15Å; N73-S97 VanDerWaalsContact OD1-CA 3.25Å; N73-S97 WeakPolarHBondContact OD1-CA 3.48Å; N73-S97 WeakPolarHBondContact OD1-CB 3.47Å; S97-S99 PolarHBondContact O-N 2.85Å; S97-S99 VanDerWaalsContact O-N 3.11Å; S97-K100 WeakPolarHBondContact O-CA 3.42Å; S97-K100 PolarHBondContact O-N 3.15Å; S97-L101 PolarHBondContact O-N 3.48Å |
| 98 | I | 92.1 | Very high | 81.2 | Confident | 1 Ų | 1 | 82.8 Ų | 82.8 | 1% | 0.005 | 47% | 0.473 | C | S | . | . | G | 310 helix | trans | -54.5 | -36.7 | -177.5 | -168.5 | 158.8 | 0 | 0 | 0 | 113 | A45 M49 I50 W53 M61 Y69 N73 K100 L101 | A45-I98 HydrophobicContact CB-CG2 4.28Å; M49-I98 HydrophobicContact CB-CG2 4.22Å; I50-I98 HydrophobicContact CB-CD1 3.88Å; I50-I98 HydrophobicContact CG1-CD1 3.56Å; I50-I98 HydrophobicContact CG2-CD1 4.05Å; W53-I98 HydrophobicContact CB-CD1 4.05Å; W53-I98 HydrophobicContact CB-CG1 3.82Å; W53-I98 HydrophobicContact CD2-CG1 4.24Å; W53-I98 HydrophobicContact CG-CD1 4.3Å; W53-I98 HydrophobicContact CG-CG1 3.74Å; W53-I98 PolarHBondContact NE1-O 2.97Å; M61-I98 HydrophobicContact CE-CD1 3.8Å; M61-I98 HydrophobicContact CE-CG1 4.26Å; M61-I98 HydrophobicContact SD-CD1 4.32Å; Y69-I98 HydrophobicContact CD1-CB 3.93Å; Y69-I98 HydrophobicContact CD2-CD1 4.43Å; Y69-I98 HydrophobicContact CE1-CB 4.13Å; Y69-I98 HydrophobicContact CG-CB 4.25Å; Y69-I98 HydrophobicContact CG-CD1 4.4Å; N73-I98 PolarHBondContact OD1-N 3.38Å; I98-K100 PolarHBondContact O-N 2.87Å; I98-K100 VanDerWaalsContact O-N 3.14Å; I98-L101 HydrophobicContact CG1-CD1 4.26Å; I98-L101 WeakPolarHBondContact O-CB 3.19Å; I98-L101 PolarHBondContact O-N 3.13Å |
| 99 | S | 88.3 | Confident | 79.4 | Confident | 77 Ų | 77 | 86.2 Ų | 86.2 | 54% | 0.538 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -62.2 | -22.9 | 177.4 | -41.8 | 0 | 0 | 0 | 0 | 114.1 | M49 S97 | M49-S99 WeakPolarHBondContact CE-OG 3.45Å; S97-S99 PolarHBondContact O-N 2.85Å; S97-S99 VanDerWaalsContact O-N 3.11Å |
| 100 | K | 88.6 | Confident | 77.6 | Confident | 147 Ų | 147 | 88.2 Ų | 88.2 | 64% | 0.639 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -100.2 | -1.8 | 178.7 | -65.8 | -172.3 | 178.2 | -172 | 0 | 112.6 | N96 S97 I98 T102 | N96-K100 HydrophobicContact CB-CB 4.14Å; S97-K100 WeakPolarHBondContact O-CA 3.42Å; S97-K100 PolarHBondContact O-N 3.15Å; I98-K100 PolarHBondContact O-N 2.87Å; I98-K100 VanDerWaalsContact O-N 3.14Å; K100-T102 PolarHBondContact O-N 3.15Å |
| 101 | L | 87.6 | Confident | 75.8 | Confident | 48 Ų | 48 | 86.6 Ų | 86.6 | 25% | 0.251 | 48% | 0.482 | S | S | . | . | trans | -70 | 130.5 | 172.7 | -69.1 | -175.7 | 0 | 0 | 0 | 109.4 | W53 M61 Y69 N96 S97 I98 | W53-L101 HydrophobicContact CZ2-CB 3.76Å; W53-L101 HydrophobicContact CZ2-CD1 4.3Å; W53-L101 PolarHBondContact NE1-O 3.16Å; M61-L101 HydrophobicContact CE-CD1 3.77Å; Y69-L101 HydrophobicContact CE2-CD1 3.68Å; Y69-L101 WeakPolarHBondContact OH-CD1 3.29Å; Y69-L101 WeakPolarHBondContact OH-CD2 3.48Å; N96-L101 HydrophobicContact CB-CD2 4.39Å; S97-L101 PolarHBondContact O-N 3.48Å; I98-L101 HydrophobicContact CG1-CD1 4.26Å; I98-L101 WeakPolarHBondContact O-CB 3.19Å; I98-L101 PolarHBondContact O-N 3.13Å | ||
| 102 | T | 81.9 | Confident | 74.5 | Confident | 106 Ų | 106 | 91 Ų | 91 | 65% | 0.65 | 50% | 0.501 | S | S | * | . | trans | -116.1 | 141.8 | 171.5 | -175 | 0 | 0 | 0 | 0 | 108.4 | K100 L104 | K100-T102 PolarHBondContact O-N 3.15Å; T102-L104 PolarHBondContact O-N 3.46Å | ||
| 103 | Q | 74.4 | Confident | 73.2 | Confident | 101 Ų | 101 | 93.2 Ų | 93.2 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | trans | -60.8 | 123.8 | 167.4 | -171.5 | 180 | 6.2 | 0 | 0 | 108.7 | T105 | Q103-T105 VanDerWaalsContact C-N 3.26Å; Q103-T105 HydrophobicContact CG-CG2 4.11Å; Q103-T105 PolarHBondContact O-N 3.45Å; Q103-T105 VanDerWaalsContact O-N 3.08Å | ||
| 104 | L | 71.4 | Confident | 71.9 | Confident | 161 Ų | 161 | 97 Ų | 97 | 84% | 0.843 | 54% | 0.535 | S | S | * | . | trans | -78.3 | 86.5 | 164.5 | -65.8 | 173.2 | 0 | 0 | 0 | 106.4 | T102 | T102-L104 PolarHBondContact O-N 3.46Š| ||
| 105 | T | 62.5 | Low | 70.8 | Confident | 87 Ų | 87 | 95.1 Ų | 95.1 | 53% | 0.534 | 52% | 0.518 | S | S | . | . | trans | -66.5 | 145.4 | 164 | 44.1 | 0 | 0 | 0 | 0 | 107.7 | Q103 S107 | Q103-T105 VanDerWaalsContact C-N 3.26Å; Q103-T105 HydrophobicContact CG-CG2 4.11Å; Q103-T105 PolarHBondContact O-N 3.45Å; Q103-T105 VanDerWaalsContact O-N 3.08Å; T105-S107 PolarHBondContact O-N 3.12Å; T105-S107 PolarHBondContact O-OG 2.9Å | ||
| 106 | Q | 55.5 | Low | 69.5 | Low | 188 Ų | 188 | 97.2 Ų | 97.2 | 88% | 0.879 | 54% | 0.536 | S | S | * | . | trans | -52.5 | 98.4 | 170.5 | -75.3 | -176.3 | -17.2 | 0 | 0 | 107.2 | S108 | Q106-S108 PolarHBondContact O-N 2.8Š| ||
| 107 | S | 50.2 | Low | 68.6 | Low | 52 Ų | 52 | 96.7 Ų | 96.7 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | trans | -63.2 | 133.6 | 178.1 | -42.3 | 0 | 0 | 0 | 0 | 104.4 | T105 M109 Y110 | T105-S107 PolarHBondContact O-N 3.12Å; T105-S107 PolarHBondContact O-OG 2.9Å; S107-M109 PolarHBondContact O-N 2.91Å; S107-Y110 PolarHBondContact O-N 3.4Å | ||
| 108 | S | 52.5 | Low | 67.2 | Low | 94 Ų | 94 | 103.2 Ų | 103.2 | 66% | 0.657 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -55.6 | -15.7 | 177.6 | 47.1 | 0 | 0 | 0 | 0 | 113 | Q106 Y110 S111 | Q106-S108 PolarHBondContact O-N 2.8Å; S108-Y110 PolarHBondContact O-N 3.26Å; S108-S111 VanDerWaalsContact C-OG 3.28Å; S108-S111 WeakPolarHBondContact CA-OG 3.44Å; S108-S111 PolarHBondContact O-N 3.04Å; S108-S111 PolarHBondContact O-OG 3.14Å |
| 109 | M | 51.5 | Low | 66 | Low | 146 Ų | 146 | 105.9 Ų | 105.9 | 72% | 0.719 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -53.4 | -33.8 | 165.7 | -69.6 | -79.1 | -80.3 | 0 | 0 | 114.1 | S107 | S107-M109 PolarHBondContact O-N 2.91Š|
| 110 | Y | 50.9 | Low | 65.3 | Low | 149 Ų | 149 | 107.6 Ų | 107.6 | 58% | 0.584 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -98.4 | 2.7 | 175.7 | -54.8 | -75.8 | 0 | 0 | 0 | 113.1 | S107 S108 L112 | S107-Y110 PolarHBondContact O-N 3.4Å; S108-Y110 PolarHBondContact O-N 3.26Å; Y110-L112 VanDerWaalsContact C-N 3.31Å |
| 111 | S | 52.1 | Low | 64.2 | Low | 81 Ų | 81 | 107.2 Ų | 107.2 | 57% | 0.566 | 60% | 0.598 | S | S | * | * | trans | -91.4 | 8.1 | 173.9 | 70 | 0 | 0 | 0 | 0 | 113.2 | S108 | S108-S111 VanDerWaalsContact C-OG 3.28Å; S108-S111 WeakPolarHBondContact CA-OG 3.44Å; S108-S111 PolarHBondContact O-N 3.04Å; S108-S111 PolarHBondContact O-OG 3.14Å | ||
| 112 | L | 60.1 | Low | 63 | Low | 112 Ų | 112 | 112 Ų | 112 | 59% | 0.586 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -61.8 | 140 | 170.1 | -64.5 | 169 | 0 | 0 | 0 | 108.4 | Y110 N114 A115 | Y110-L112 VanDerWaalsContact C-N 3.31Å; L112-N114 PolarHBondContact O-N 3.02Å; L112-A115 HydrophobicContact CB-CB 3.94Å; L112-A115 PolarHBondContact O-N 3.3Å |
| 113 | P | 63 | Low | 61.9 | Low | 128 Ų | 128 | 113.7 Ų | 113.7 | 83% | 0.831 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -10.3 | -176.1 | 20.2 | -30.8 | 0 | 0 | 0 | 114.6 | ||
| 114 | N | 64.2 | Low | 61.2 | Low | 152 Ų | 152 | 115 Ų | 115 | 81% | 0.813 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.4 | 14.4 | 179.6 | -71.1 | 63.4 | 0 | 0 | 0 | 113.2 | L112 | L112-N114 PolarHBondContact O-N 3.02Š|
| 115 | A | 67.4 | Low | 60.6 | Low | 17 Ų | 17 | 113.6 Ų | 113.6 | 14% | 0.14 | 63% | 0.632 | C | S | . | * | S | Bend | trans | -73.2 | 137.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | L112 T117 | L112-A115 HydrophobicContact CB-CB 3.94Å; L112-A115 PolarHBondContact O-N 3.3Å; A115-T117 WeakPolarHBondContact O-CG2 3.26Å; A115-T117 PolarHBondContact O-N 3.08Å |
| 116 | P | 62.8 | Low | 60.3 | Low | 102 Ų | 102 | 115.9 Ų | 115.9 | 66% | 0.662 | 64% | 0.637 | S | S | * | * | trans | -59.5 | 123.6 | 172.2 | 24.5 | -31.6 | 0 | 0 | 0 | 108.8 | D120 | P116-D120 VanDerWaalsContact CA-OD2 3.27Å; P116-D120 WeakPolarHBondContact CA-OD2 3.23Å | ||
| 117 | T | 73.1 | Confident | 60.2 | Low | 66 Ų | 66 | 114.7 Ų | 114.7 | 41% | 0.405 | 63% | 0.631 | S | S | . | * | trans | -106.6 | 170.2 | 179.3 | 67 | 0 | 0 | 0 | 0 | 110 | A115 A119 D120 | A115-T117 WeakPolarHBondContact O-CG2 3.26Å; A115-T117 PolarHBondContact O-N 3.08Å; T117-A119 PolarHBondContact O-N 3.23Å; T117-A119 VanDerWaalsContact O-N 3.14Å; T117-A119 PolarHBondContact OG1-N 3.43Å; T117-D120 PolarHBondContact N-OD2 3.26Å; T117-D120 PolarHBondContact O-N 2.99Å; T117-D120 VanDerWaalsContact O-N 3.11Å; T117-D120 PolarHBondContact OG1-OD2 3.37Å | ||
| 118 | L | 60.5 | Low | 60.4 | Low | 153 Ų | 153 | 119.1 Ų | 119.1 | 80% | 0.801 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -59.7 | -20.3 | 172.3 | -75.1 | 170 | 0 | 0 | 0 | 113.1 | D120 L121 | L118-D120 VanDerWaalsContact C-N 3.31Å; L118-L121 PolarHBondContact O-N 2.9Å |
| 119 | A | 68.4 | Low | 60.1 | Low | 56 Ų | 56 | 120.7 Ų | 120.7 | 46% | 0.463 | 65% | 0.652 | S | S | . | * | G | 310 helix | trans | -73.9 | -19.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T117 L121 E122 | T117-A119 PolarHBondContact O-N 3.23Å; T117-A119 VanDerWaalsContact O-N 3.14Å; T117-A119 PolarHBondContact OG1-N 3.43Å; A119-L121 PolarHBondContact O-N 3.12Å; A119-E122 WeakPolarHBondContact O-CG 3.25Å |
| 120 | D | 72.6 | Confident | 59.7 | Low | 113 Ų | 113 | 125.4 Ų | 125.4 | 60% | 0.604 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -77.6 | -8 | 177.1 | -60.3 | -62.1 | 0 | 0 | 0 | 113 | P116 T117 L118 | P116-D120 VanDerWaalsContact CA-OD2 3.27Å; P116-D120 WeakPolarHBondContact CA-OD2 3.23Å; T117-D120 PolarHBondContact N-OD2 3.26Å; T117-D120 PolarHBondContact O-N 2.99Å; T117-D120 VanDerWaalsContact O-N 3.11Å; T117-D120 PolarHBondContact OG1-OD2 3.37Å; L118-D120 VanDerWaalsContact C-N 3.31Å |
| 121 | L | 65.2 | Low | 60.1 | Low | 140 Ų | 140 | 124.3 Ų | 124.3 | 73% | 0.733 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -98.9 | 3.7 | 178.1 | -67.5 | 172.2 | 0 | 0 | 0 | 112.9 | L118 A119 D123 | L118-L121 PolarHBondContact O-N 2.9Å; A119-L121 PolarHBondContact O-N 3.12Å; L121-D123 VanDerWaalsContact C-N 3.25Å; L121-D123 PolarHBondContact O-N 2.92Å |
| 122 | E | 63.9 | Low | 60.5 | Low | 149 Ų | 149 | 126.5 Ų | 126.5 | 70% | 0.696 | 69% | 0.69 | S | S | * | * | trans | -71.3 | 85.5 | 172.2 | -58.9 | -178.8 | -157.1 | 0 | 0 | 108 | A119 D124 | A119-E122 WeakPolarHBondContact O-CG 3.25Å; E122-D124 PolarHBondContact O-N 3.37Å | ||
| 123 | D | 58.3 | Low | 60.5 | Low | 141 Ų | 141 | 127.3 Ų | 127.3 | 75% | 0.754 | 70% | 0.696 | S | S | * | * | trans | -66 | 110.5 | 171.7 | -165.6 | 26.4 | 0 | 0 | 0 | 107.6 | L121 T125 | L121-D123 VanDerWaalsContact C-N 3.25Å; L121-D123 PolarHBondContact O-N 2.92Å; D123-T125 PolarHBondContact O-N 2.95Å | ||
| 124 | D | 58.9 | Low | 60.4 | Low | 127 Ų | 127 | 127.3 Ų | 127.3 | 68% | 0.679 | 69% | 0.688 | S | S | * | * | trans | -55.7 | 86.9 | 176.2 | -95.8 | -25.7 | 0 | 0 | 0 | 109.4 | E122 H126 | E122-D124 PolarHBondContact O-N 3.37Å; D124-H126 PolarHBondContact O-N 2.97Å; D124-H126 IonicContact OD1-CD2 3.72Å; D124-H126 IonicContact OD1-NE2 3.6Å; D124-H126 IonicContact OD2-CD2 3.93Å | ||
| 125 | T | 59 | Low | 60.2 | Low | 132 Ų | 132 | 125.8 Ų | 125.8 | 81% | 0.81 | 68% | 0.68 | S | S | * | * | trans | -76 | 63.3 | 164.4 | 38.6 | 0 | 0 | 0 | 0 | 108.4 | D123 E127 | D123-T125 PolarHBondContact O-N 2.95Å; T125-E127 PolarHBondContact O-N 2.83Å | ||
| 126 | H | 56.8 | Low | 59.7 | Low | 135 Ų | 135 | 133 Ų | 133 | 63% | 0.625 | 72% | 0.716 | S | S | * | * | trans | -73.4 | 79 | 161.2 | -77.6 | -66.6 | 0 | 0 | 0 | 108.8 | D124 D128 | D124-H126 PolarHBondContact O-N 2.97Å; D124-H126 IonicContact OD1-CD2 3.72Å; D124-H126 IonicContact OD1-NE2 3.6Å; D124-H126 IonicContact OD2-CD2 3.93Å; H126-D128 VanDerWaalsContact C-N 3.33Å; H126-D128 PolarHBondContact O-N 2.68Å | ||
| 127 | E | 52.8 | Low | 59.5 | Low | 164 Ų | 164 | 135.2 Ų | 135.2 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | trans | -90.6 | 79.9 | 150.6 | -75.3 | -152.1 | 141.9 | 0 | 0 | 108.4 | T125 N129 | T125-E127 PolarHBondContact O-N 2.83Å; E127-N129 PolarHBondContact O-N 2.86Å; E127-N129 VanDerWaalsContact O-N 3.08Å | ||
| 128 | D | 53.4 | Low | 58.4 | Low | 145 Ų | 145 | 140.5 Ų | 140.5 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | trans | -63 | 99.9 | 153.4 | -80 | -42.7 | 0 | 0 | 0 | 107.7 | H126 | H126-D128 VanDerWaalsContact C-N 3.33Å; H126-D128 PolarHBondContact O-N 2.68Å | ||
| 129 | N | 46.7 | Very low | 58.2 | Low | 127 Ų | 127 | 139.5 Ų | 139.5 | 68% | 0.679 | 74% | 0.739 | S | S | * | * | trans | -119 | 95.2 | 165.1 | -95 | -53.1 | 0 | 0 | 0 | 110.1 | E127 | E127-N129 PolarHBondContact O-N 2.86Å; E127-N129 VanDerWaalsContact O-N 3.08Å | ||
| 130 | L | 42.8 | Very low | 57.3 | Low | 245 Ų | 245 | 147.1 Ų | 147.1 | 100% | 1.283 | 76% | 0.764 | S | S | * | * | trans | 59.9 | 0 | 151.9 | -120.2 | 82.5 | 0 | 0 | 0 | 120.5 |
Retrieved 130 of 130 residues in 94.1 ms
(Link to these results)