| 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 | A | 49.9 | Very low | 42.8 | Very low | 133 Ų | 133 | 164.3 Ų | 164.3 | 100% | 1.099 | 80% | 0.804 | S | S | * | * | 0 | -51.8 | 0 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 2 | K | 37.4 | Very low | 43.2 | Very low | 201 Ų | 201 | 164.2 Ų | 164.2 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | H | α-helix | trans | -71.8 | -26.1 | -178.1 | -84 | -179.3 | 175.7 | 176 | 0 | 116.1 | ||
| 3 | L | 40.1 | Very low | 43.5 | Very low | 162 Ų | 162 | 161.5 Ų | 161.5 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | H | α-helix | trans | -72 | -29.2 | 177.9 | -83.1 | 152.5 | 0 | 0 | 0 | 113.6 | ||
| 4 | A | 43.8 | Very low | 44.4 | Very low | 71 Ų | 71 | 155.6 Ų | 155.6 | 59% | 0.587 | 80% | 0.8 | S | S | * | * | H | α-helix | trans | -72.9 | -34.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 5 | R | 43.1 | Very low | 46 | Very low | 213 Ų | 213 | 156.1 Ų | 156.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | H | α-helix | trans | -72.2 | -30.8 | 179.5 | -93.4 | -173 | 178.4 | 164.7 | -0.1 | 113.7 | S7 | R5-S7 PolarHBondContact O-N 2.88Å |
| 6 | R | 40.5 | Very low | 47.8 | Very low | 218 Ų | 218 | 153.8 Ų | 153.8 | 82% | 0.823 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -8.5 | -175.7 | -142.8 | 179.5 | -167.3 | -179.9 | 3.3 | 113.7 | ||
| 7 | S | 40.8 | Very low | 49.2 | Very low | 85 Ų | 85 | 148.6 Ų | 148.6 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -8.8 | -178.7 | -163.8 | 0 | 0 | 0 | 0 | 113.5 | R5 E9 | R5-S7 PolarHBondContact O-N 2.88Å; S7-E9 VanDerWaalsContact C-N 3.31Å |
| 8 | Q | 41.4 | Very low | 51.2 | Low | 168 Ų | 168 | 143.8 Ų | 143.8 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -10.1 | -174.6 | -135.8 | 147.8 | -15.8 | 0 | 0 | 113.1 | ||
| 9 | E | 44.8 | Very low | 52.8 | Low | 175 Ų | 175 | 138.5 Ų | 138.5 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 15.6 | -177.1 | -70.5 | 176.7 | 162 | 0 | 0 | 114 | S7 | S7-E9 VanDerWaalsContact C-N 3.31Š|
| 10 | R | 41.4 | Very low | 54.1 | Low | 188 Ų | 188 | 137.5 Ų | 137.5 | 71% | 0.709 | 72% | 0.716 | S | S | * | * | trans | -123.9 | 100.5 | 170.6 | -73.4 | -150.3 | -96.6 | -163.2 | -3.9 | 110.7 | N12 | R10-N12 PolarHBondContact O-N 2.91Š| ||
| 11 | E | 47.3 | Very low | 55.2 | Low | 193 Ų | 193 | 133.5 Ų | 133.5 | 90% | 0.902 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | 125.3 | 166 | -64.8 | -178 | 159.2 | 0 | 0 | 109.2 | ||
| 12 | N | 48.4 | Very low | 56.2 | Low | 163 Ų | 163 | 136.6 Ų | 136.6 | 87% | 0.872 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.1 | 52.9 | 177.5 | -69.7 | -17.7 | 0 | 0 | 0 | 119.3 | R10 | R10-N12 PolarHBondContact O-N 2.91Š|
| 13 | L | 46.8 | Very low | 57.9 | Low | 130 Ų | 130 | 134.2 Ų | 134.2 | 68% | 0.681 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -128.9 | 132.4 | 151.9 | -71.8 | 166.9 | 0 | 0 | 0 | 109.4 | ||
| 14 | G | 55.6 | Low | 59.7 | Low | 78 Ų | 78 | 128 Ų | 128 | 80% | 0.804 | 65% | 0.652 | S | S | * | * | trans | -45.9 | 143.7 | -166 | 0 | 0 | 0 | 0 | 0 | 115.7 | L16 | G14-L16 PolarHBondContact O-N 3.34Š| ||
| 15 | M | 68.9 | Low | 61.6 | Low | 164 Ų | 164 | 127.5 Ų | 127.5 | 81% | 0.808 | 64% | 0.644 | S | S | * | * | trans | -64.8 | 126.3 | 175.9 | -179.2 | 170.5 | 53.8 | 0 | 0 | 110 | V17 | M15-V17 HydrophobicContact CE-CG1 4.25Å; M15-V17 HydrophobicContact CG-CG1 4.49Å; M15-V17 PolarHBondContact O-N 3.29Å; M15-V17 VanDerWaalsContact O-N 3.08Å | ||
| 16 | L | 74.9 | Confident | 63.4 | Low | 118 Ų | 118 | 124.7 Ų | 124.7 | 62% | 0.618 | 64% | 0.64 | S | S | * | * | trans | -68.5 | 106.8 | 174.1 | -178.6 | 67.9 | 0 | 0 | 0 | 109.2 | G14 W18 F52 | G14-L16 PolarHBondContact O-N 3.34Å; L16-W18 VanDerWaalsContact CD1-O 3.31Å; L16-W18 WeakPolarHBondContact CD1-O 3.44Å; L16-F52 HydrophobicContact CD2-CE1 4.24Å; L16-F52 HydrophobicContact CD2-CZ 3.84Å; L16-F52 HydrophobicContact CG-CE1 4.16Å; L16-F52 HydrophobicContact CG-CZ 4.18Å; L16-F52 WeakPolarHBondContact O-CE1 3.5Å | ||
| 17 | V | 71.7 | Confident | 65.7 | Low | 67 Ų | 67 | 117.7 Ų | 117.7 | 41% | 0.406 | 63% | 0.629 | S | S | . | * | trans | -95.4 | -14.7 | -178.7 | -67.3 | 0 | 0 | 0 | 0 | 113.5 | M15 G49 F52 | M15-V17 HydrophobicContact CE-CG1 4.25Å; M15-V17 HydrophobicContact CG-CG1 4.49Å; M15-V17 PolarHBondContact O-N 3.29Å; M15-V17 VanDerWaalsContact O-N 3.08Å; V17-G49 VanDerWaalsContact O-CA 3.27Å; V17-G49 WeakPolarHBondContact O-CA 3.42Å; V17-F52 WeakPolarHBondContact O-CB 3.45Å | ||
| 18 | W | 84.4 | Confident | 67.9 | Low | 62 Ų | 62 | 119.5 Ų | 119.5 | 24% | 0.235 | 63% | 0.626 | C | S | . | * | trans | -157.9 | 147.7 | 179.4 | 178.6 | -111.9 | 0 | 0 | 0 | 112.4 | L16 L29 L48 L51 F52 H56 | L16-W18 VanDerWaalsContact CD1-O 3.31Å; L16-W18 WeakPolarHBondContact CD1-O 3.44Å; W18-L29 HydrophobicContact CH2-CD1 3.81Å; W18-L29 HydrophobicContact CH2-CD2 4.26Å; W18-L29 HydrophobicContact CZ2-CD1 4.27Å; W18-L29 HydrophobicContact CZ2-CD2 3.89Å; W18-L48 HydrophobicContact CB-CB 4.37Å; W18-L48 HydrophobicContact CD2-CB 4.04Å; W18-L48 HydrophobicContact CD2-CD2 3.9Å; W18-L48 HydrophobicContact CD2-CG 4.38Å; W18-L48 HydrophobicContact CE3-CB 3.82Å; W18-L48 HydrophobicContact CE3-CD2 3.87Å; W18-L48 HydrophobicContact CE3-CG 4.41Å; W18-L48 VanDerWaalsContact CE3-O 3.26Å; W18-L48 HydrophobicContact CG-CB 4.28Å; W18-L48 HydrophobicContact CG-CD1 4.46Å; W18-L48 HydrophobicContact CH2-CD2 3.82Å; W18-L48 HydrophobicContact CZ2-CD2 3.85Å; W18-L48 HydrophobicContact CZ3-CB 4.43Å; W18-L48 HydrophobicContact CZ3-CD2 3.84Å; W18-L51 HydrophobicContact CH2-CD2 3.82Å; W18-L51 HydrophobicContact CH2-CG 4.41Å; W18-L51 HydrophobicContact CZ3-CB 4.07Å; W18-L51 HydrophobicContact CZ3-CD2 3.84Å; W18-L51 HydrophobicContact CZ3-CG 4Å; W18-F52 HydrophobicContact CE3-CB 3.97Å; W18-H56 AromaticContact CH2-CD2 3.42Å; W18-H56 VanDerWaalsContact CH2-CD2 3.42Å; W18-H56 WeakPolarHBondContact CH2-CD2 3.42Å; W18-H56 AromaticContact CH2-NE2 3.65Å; W18-H56 AromaticContact CZ3-CD2 3.52Å; W18-H56 AromaticContact CZ3-NE2 3.55Å | ||
| 19 | S | 82.6 | Confident | 70.1 | Confident | 43 Ų | 43 | 113 Ų | 113 | 30% | 0.301 | 60% | 0.597 | S | S | . | * | trans | -143.5 | 140.5 | 162.8 | 69.9 | 0 | 0 | 0 | 0 | 110 | F52 H56 | S19-F52 VanDerWaalsContact OG-CE2 3.22Å; S19-F52 WeakPolarHBondContact OG-CE2 3.33Å; S19-H56 PolarHBondContact O-CE1 3.47Å; S19-H56 VanDerWaalsContact O-CE1 3.29Å; S19-H56 PolarHBondContact O-NE2 2.95Å | ||
| 20 | P | 78.3 | Confident | 72.2 | Confident | 117 Ų | 117 | 109 Ų | 109 | 76% | 0.76 | 58% | 0.581 | S | S | * | * | trans | -58.5 | 144.7 | 176 | -23.8 | 33.8 | 0 | 0 | 0 | 112.7 | ||||
| 21 | N | 77.4 | Confident | 74.6 | Confident | 54 Ų | 54 | 106 Ų | 106 | 29% | 0.289 | 58% | 0.575 | S | S | . | * | trans | -121.1 | 130.6 | 176.1 | -170.9 | -33.3 | 0 | 0 | 0 | 109.6 | N23 H56 | N21-N23 PolarHBondContact O-N 2.94Å; N21-N23 WeakPolarHBondContact OD1-CB 3.49Å; N21-N23 PolarHBondContact OD1-N 3.36Å; N21-H56 HydrophobicContact CB-CB 4.16Å; N21-H56 WeakPolarHBondContact ND2-CB 3.48Å; N21-H56 VanDerWaalsContact ND2-CG 3.32Å; N21-H56 PolarHBondContact ND2-ND1 3.25Å; N21-H56 VanDerWaalsContact ND2-ND1 3.18Å | ||
| 22 | Q | 71.4 | Confident | 76.7 | Confident | 199 Ų | 199 | 96.9 Ų | 96.9 | 93% | 0.93 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -14.9 | -177.9 | -63.7 | -178.1 | 2.9 | 0 | 0 | 113.4 | ||
| 23 | N | 71.6 | Confident | 78.7 | Confident | 151 Ų | 151 | 90 Ų | 90 | 81% | 0.807 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -0.3 | -176.1 | -62.1 | -17.5 | 0 | 0 | 0 | 113.5 | N21 | N21-N23 PolarHBondContact O-N 2.94Å; N21-N23 WeakPolarHBondContact OD1-CB 3.49Å; N21-N23 PolarHBondContact OD1-N 3.36Å |
| 24 | L | 77.9 | Confident | 80.7 | Confident | 32 Ų | 32 | 85.6 Ų | 85.6 | 17% | 0.168 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -118.2 | 114.3 | -175.3 | -155.6 | 145.8 | 0 | 0 | 0 | 109.4 | L29 L51 H56 I58 | L24-L29 HydrophobicContact CD2-CB 3.57Å; L24-L29 HydrophobicContact CD2-CD1 4.15Å; L24-L29 HydrophobicContact CD2-CG 4.34Å; L24-L51 HydrophobicContact CD1-CD2 4.46Å; L24-H56 HydrophobicContact CD1-CB 3.92Å; L24-H56 VanDerWaalsContact CD1-O 3.24Å; L24-H56 WeakPolarHBondContact CD1-O 3.47Å; L24-I58 HydrophobicContact CD1-CD1 4.03Å; L24-I58 HydrophobicContact CD1-CG1 3.97Å; L24-I58 HydrophobicContact CD2-CD1 4.31Å; L24-I58 HydrophobicContact CG-CD1 4.26Å |
| 25 | S | 84.4 | Confident | 82.3 | Confident | 60 Ų | 60 | 83.9 Ų | 83.9 | 42% | 0.42 | 45% | 0.45 | S | S | . | . | trans | -67.7 | 138.5 | 178.3 | 56.3 | 0 | 0 | 0 | 0 | 110.9 | A27 K28 L29 | S25-A27 VanDerWaalsContact C-N 3.27Å; S25-A27 PolarHBondContact O-N 3.32Å; S25-K28 PolarHBondContact O-N 3.1Å; S25-K28 WeakPolarHBondContact OG-CD 3.3Å; S25-K28 VanDerWaalsContact OG-CG 3.3Å; S25-K28 WeakPolarHBondContact OG-CG 3.43Å; S25-L29 PolarHBondContact O-N 3.32Å | ||
| 26 | E | 81.9 | Confident | 83.2 | Confident | 153 Ų | 153 | 76.1 Ų | 76.1 | 72% | 0.715 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -49.9 | -43.9 | -179.9 | -167.3 | 168.4 | -164 | 0 | 0 | 112.9 | K28 L29 D30 | E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 3.49Å; E26-L29 VanDerWaalsContact O-CB 3.31Å; E26-L29 WeakPolarHBondContact O-CB 3.31Å; E26-L29 PolarHBondContact O-N 3.17Å; E26-D30 PolarHBondContact O-N 3.09Å |
| 27 | A | 87.4 | Confident | 83.6 | Confident | 72 Ų | 72 | 77.3 Ų | 77.3 | 60% | 0.595 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.7 | -36.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S25 E31 | S25-A27 VanDerWaalsContact C-N 3.27Å; S25-A27 PolarHBondContact O-N 3.32Å; A27-E31 PolarHBondContact O-N 2.69Å; A27-E31 VanDerWaalsContact O-N 3.15Å |
| 28 | K | 86.9 | Confident | 84.2 | Confident | 123 Ų | 123 | 81.8 Ų | 81.8 | 54% | 0.535 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -76.1 | -28.8 | 177.4 | -71.7 | -177.3 | 179.3 | -177.1 | 0 | 112 | S25 E26 Y32 I58 | S25-K28 PolarHBondContact O-N 3.1Å; S25-K28 WeakPolarHBondContact OG-CD 3.3Å; S25-K28 VanDerWaalsContact OG-CG 3.3Å; S25-K28 WeakPolarHBondContact OG-CG 3.43Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 3.49Å; K28-Y32 WeakPolarHBondContact O-CB 3.21Å; K28-Y32 PolarHBondContact O-N 3.45Å; K28-Y32 VanDerWaalsContact O-N 3.16Å; K28-I58 HydrophobicContact CB-CD1 3.88Å |
| 29 | L | 87.9 | Confident | 84.1 | Confident | 31 Ų | 31 | 86.4 Ų | 86.4 | 16% | 0.162 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -68.4 | -45.1 | 174.5 | -174.9 | 56.6 | 0 | 0 | 0 | 110.3 | W18 L24 S25 E26 Y32 I33 L48 L51 | W18-L29 HydrophobicContact CH2-CD1 3.81Å; W18-L29 HydrophobicContact CH2-CD2 4.26Å; W18-L29 HydrophobicContact CZ2-CD1 4.27Å; W18-L29 HydrophobicContact CZ2-CD2 3.89Å; L24-L29 HydrophobicContact CD2-CB 3.57Å; L24-L29 HydrophobicContact CD2-CD1 4.15Å; L24-L29 HydrophobicContact CD2-CG 4.34Å; S25-L29 PolarHBondContact O-N 3.32Å; E26-L29 VanDerWaalsContact O-CB 3.31Å; E26-L29 WeakPolarHBondContact O-CB 3.31Å; E26-L29 PolarHBondContact O-N 3.17Å; L29-Y32 PolarHBondContact O-N 2.75Å; L29-I33 HydrophobicContact CD1-CD1 4.28Å; L29-I33 HydrophobicContact CG-CD1 4Å; L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.23Å; L29-I33 PolarHBondContact O-N 2.74Å; L29-L48 HydrophobicContact CD1-CD2 3.98Å; L29-L51 HydrophobicContact CD1-CD2 3.34Å |
| 30 | D | 89.3 | Confident | 84 | Confident | 90 Ų | 90 | 86.4 Ų | 86.4 | 48% | 0.481 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 178.8 | -68.7 | -25.5 | 0 | 0 | 0 | 111.8 | E26 Y32 I33 A34 | E26-D30 PolarHBondContact O-N 3.09Å; D30-Y32 VanDerWaalsContact C-N 3.34Å; D30-Y32 PolarHBondContact O-N 3.13Å; D30-I33 PolarHBondContact O-N 3.06Å; D30-A34 WeakPolarHBondContact O-CB 3.4Å; D30-A34 PolarHBondContact O-N 3.01Å |
| 31 | E | 91.7 | Very high | 83.8 | Confident | 125 Ų | 125 | 83.4 Ų | 83.4 | 58% | 0.584 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.6 | -44 | 174.5 | -173.3 | 179.7 | -176.2 | 0 | 0 | 111.7 | A27 A34 I35 | A27-E31 PolarHBondContact O-N 2.69Å; A27-E31 VanDerWaalsContact O-N 3.15Å; E31-A34 PolarHBondContact O-N 3.32Å; E31-I35 HydrophobicContact CG-CD1 4.17Å; E31-I35 VanDerWaalsContact O-CG1 3.3Å; E31-I35 WeakPolarHBondContact O-CG1 3.41Å; E31-I35 PolarHBondContact O-N 2.96Å |
| 32 | Y | 91.7 | Very high | 84 | Confident | 2 Ų | 2 | 81.3 Ų | 81.3 | 1% | 0.008 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 176 | 167.3 | -93.7 | 0 | 0 | 0 | 112.5 | K28 L29 D30 A34 I35 A36 A47 L51 I58 S61 L62 L65 | K28-Y32 WeakPolarHBondContact O-CB 3.21Å; K28-Y32 PolarHBondContact O-N 3.45Å; K28-Y32 VanDerWaalsContact O-N 3.16Å; L29-Y32 PolarHBondContact O-N 2.75Å; D30-Y32 VanDerWaalsContact C-N 3.34Å; D30-Y32 PolarHBondContact O-N 3.13Å; Y32-A34 VanDerWaalsContact C-N 3.33Å; Y32-A34 PolarHBondContact O-N 2.76Å; Y32-I35 PolarHBondContact O-N 3.45Å; Y32-A36 WeakPolarHBondContact O-CB 3.48Å; Y32-A36 PolarHBondContact O-N 2.9Å; Y32-A47 HydrophobicContact CE1-CB 4.24Å; Y32-A47 WeakPolarHBondContact CE1-O 3.25Å; Y32-A47 PolarHBondContact OH-O 3.09Å; Y32-A47 VanDerWaalsContact OH-O 3.1Å; Y32-L51 HydrophobicContact CD1-CB 4.4Å; Y32-L51 HydrophobicContact CD1-CD2 3.81Å; Y32-L51 HydrophobicContact CD1-CG 4.5Å; Y32-L51 HydrophobicContact CE1-CB 3.66Å; Y32-L51 HydrophobicContact CE1-CD1 4.38Å; Y32-L51 HydrophobicContact CE1-CD2 3.92Å; Y32-L51 HydrophobicContact CE1-CG 4.2Å; Y32-L51 HydrophobicContact CG-CD2 4.47Å; Y32-I58 HydrophobicContact CD2-CG2 3.95Å; Y32-I58 HydrophobicContact CG-CG2 4.46Å; Y32-S61 PolarHBondContact OH-OG 2.71Å; Y32-L62 HydrophobicContact CD2-CD2 3.58Å; Y32-L62 HydrophobicContact CD2-CG 3.83Å; Y32-L62 HydrophobicContact CE2-CD2 3.8Å; Y32-L62 HydrophobicContact CE2-CG 4.05Å; Y32-L65 HydrophobicContact CE2-CD1 4.22Å |
| 33 | I | 89.6 | Confident | 84.5 | Confident | 19 Ų | 19 | 74.6 Ų | 74.6 | 10% | 0.097 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.5 | -41 | 178 | -68.3 | 168 | 0 | 0 | 0 | 110.4 | L29 D30 A36 K37 M44 L48 | L29-I33 HydrophobicContact CD1-CD1 4.28Å; L29-I33 HydrophobicContact CG-CD1 4Å; L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.23Å; L29-I33 PolarHBondContact O-N 2.74Å; D30-I33 PolarHBondContact O-N 3.06Å; I33-A36 PolarHBondContact O-N 3.03Å; I33-K37 VanDerWaalsContact O-CB 3.29Å; I33-K37 WeakPolarHBondContact O-CB 3.41Å; I33-K37 PolarHBondContact O-N 3Å; I33-M44 HydrophobicContact CD1-CE 4.15Å; I33-M44 HydrophobicContact CG2-CE 4.38Å; I33-M44 HydrophobicContact CG2-CG 4.29Å; I33-L48 HydrophobicContact CD1-CD2 3.94Å; I33-L48 HydrophobicContact CD1-CG 4.45Å; I33-L48 HydrophobicContact CG1-CD2 4.43Å |
| 34 | A | 90.2 | Very high | 85 | Confident | 38 Ų | 38 | 73 Ų | 73 | 31% | 0.314 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D30 E31 Y32 A36 K37 E38 | D30-A34 WeakPolarHBondContact O-CB 3.4Å; D30-A34 PolarHBondContact O-N 3.01Å; E31-A34 PolarHBondContact O-N 3.32Å; Y32-A34 VanDerWaalsContact C-N 3.33Å; Y32-A34 PolarHBondContact O-N 2.76Å; A34-A36 PolarHBondContact O-N 3.39Å; A34-K37 PolarHBondContact O-N 3.17Å; A34-E38 VanDerWaalsContact O-CB 3.29Å; A34-E38 WeakPolarHBondContact O-CB 3.4Å; A34-E38 WeakPolarHBondContact O-CG 3.41Å; A34-E38 PolarHBondContact O-N 3.26Å |
| 35 | I | 88.9 | Confident | 85.3 | Confident | 42 Ų | 42 | 78.4 Ų | 78.4 | 22% | 0.215 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 177.4 | -67.9 | 165.8 | 0 | 0 | 0 | 111.5 | E31 Y32 K37 K39 L62 | E31-I35 HydrophobicContact CG-CD1 4.17Å; E31-I35 VanDerWaalsContact O-CG1 3.3Å; E31-I35 WeakPolarHBondContact O-CG1 3.41Å; E31-I35 PolarHBondContact O-N 2.96Å; Y32-I35 PolarHBondContact O-N 3.45Å; I35-K37 VanDerWaalsContact C-N 3.32Å; I35-K37 PolarHBondContact O-N 3.05Å; I35-K39 HydrophobicContact CG2-CD 4.25Å; I35-K39 WeakPolarHBondContact O-CB 3.38Å; I35-K39 PolarHBondContact O-N 3.41Å; I35-L62 HydrophobicContact CB-CD2 4.24Å; I35-L62 HydrophobicContact CG2-CD2 3.64Å |
| 36 | A | 87.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y32 I33 A34 H40 G41 Y42 A47 L65 | Y32-A36 WeakPolarHBondContact O-CB 3.48Å; Y32-A36 PolarHBondContact O-N 2.9Å; I33-A36 PolarHBondContact O-N 3.03Å; A34-A36 PolarHBondContact O-N 3.39Å; A36-H40 CarbonylContact O-C 3.6Å; A36-H40 WeakPolarHBondContact O-CA 3.5Å; A36-H40 WeakPolarHBondContact O-CB 3.27Å; A36-H40 PolarHBondContact O-N 3.08Å; A36-G41 PolarHBondContact O-N 2.92Å; A36-G41 VanDerWaalsContact O-N 3.16Å; A36-Y42 PolarHBondContact O-N 3.2Å; A36-A47 HydrophobicContact CB-CB 3.71Å; A36-L65 HydrophobicContact CB-CD1 3.8Å; A36-L65 HydrophobicContact CB-CD2 3.98Å |
| 37 | K | 83.9 | Confident | 85.6 | Confident | 143 Ų | 143 | 71.8 Ų | 71.8 | 62% | 0.622 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -75.3 | -50.5 | 179.2 | -173.7 | -179.5 | 177.8 | -172.8 | 0 | 112.6 | I33 A34 I35 G41 Y42 | I33-K37 VanDerWaalsContact O-CB 3.29Å; I33-K37 WeakPolarHBondContact O-CB 3.41Å; I33-K37 PolarHBondContact O-N 3Å; A34-K37 PolarHBondContact O-N 3.17Å; I35-K37 VanDerWaalsContact C-N 3.32Å; I35-K37 PolarHBondContact O-N 3.05Å; K37-G41 WeakPolarHBondContact O-CA 3.45Å; K37-G41 PolarHBondContact O-N 3.24Å; K37-G41 VanDerWaalsContact O-N 3.16Å; K37-Y42 WeakPolarHBondContact CA-O 3.23Å |
| 38 | E | 84.6 | Confident | 85.6 | Confident | 162 Ų | 162 | 69.8 Ų | 69.8 | 76% | 0.757 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -78.1 | -37.4 | -171.6 | -67.1 | -179.3 | 177.2 | 0 | 0 | 112.8 | A34 | A34-E38 VanDerWaalsContact O-CB 3.29Å; A34-E38 WeakPolarHBondContact O-CB 3.4Å; A34-E38 WeakPolarHBondContact O-CG 3.41Å; A34-E38 PolarHBondContact O-N 3.26Å |
| 39 | K | 82.3 | Confident | 85.7 | Confident | 158 Ų | 158 | 64.9 Ų | 64.9 | 69% | 0.687 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -95 | -27.5 | -177.1 | -61.3 | -166.9 | -178.8 | 176.7 | 0 | 113.8 | I35 | I35-K39 HydrophobicContact CG2-CD 4.25Å; I35-K39 WeakPolarHBondContact O-CB 3.38Å; I35-K39 PolarHBondContact O-N 3.41Å |
| 40 | H | 79.3 | Confident | 85.7 | Confident | 44 Ų | 44 | 64.5 Ų | 64.5 | 20% | 0.204 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -124.8 | 1.4 | -171.7 | -57.7 | -72.9 | 0 | 0 | 0 | 114 | A36 Y42 L65 | A36-H40 CarbonylContact O-C 3.6Å; A36-H40 WeakPolarHBondContact O-CA 3.5Å; A36-H40 WeakPolarHBondContact O-CB 3.27Å; A36-H40 PolarHBondContact O-N 3.08Å; H40-Y42 HydrophobicContact CB-CD2 3.53Å; H40-Y42 HydrophobicContact CB-CE2 3.68Å; H40-Y42 WeakPolarHBondContact O-CD2 3.37Å; H40-Y42 PolarHBondContact O-N 2.96Å; H40-L65 HydrophobicContact CB-CB 4.32Å |
| 41 | G | 74.8 | Confident | 85.7 | Confident | 54 Ų | 54 | 60.2 Ų | 60.2 | 56% | 0.557 | 31% | 0.309 | S | S | * | . | trans | 67.9 | 18.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115 | A36 K37 | A36-G41 PolarHBondContact O-N 2.92Å; A36-G41 VanDerWaalsContact O-N 3.16Å; K37-G41 WeakPolarHBondContact O-CA 3.45Å; K37-G41 PolarHBondContact O-N 3.24Å; K37-G41 VanDerWaalsContact O-N 3.16Å | ||
| 42 | Y | 82.2 | Confident | 85.6 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 4% | 0.039 | 29% | 0.293 | C | S | . | . | trans | -73.9 | 139.9 | 177 | -77.3 | -110.4 | 0 | 0 | 0 | 110.8 | A36 K37 H40 Q46 L65 F68 T69 | A36-Y42 PolarHBondContact O-N 3.2Å; K37-Y42 WeakPolarHBondContact CA-O 3.23Å; H40-Y42 HydrophobicContact CB-CD2 3.53Å; H40-Y42 HydrophobicContact CB-CE2 3.68Å; H40-Y42 WeakPolarHBondContact O-CD2 3.37Å; H40-Y42 PolarHBondContact O-N 2.96Å; Y42-Q46 HydrophobicContact CD1-CB 3.7Å; Y42-L65 HydrophobicContact CD1-CD2 4.09Å; Y42-L65 HydrophobicContact CD2-CD2 3.77Å; Y42-L65 HydrophobicContact CE1-CD2 3.9Å; Y42-L65 HydrophobicContact CE2-CB 4.25Å; Y42-L65 HydrophobicContact CE2-CD2 3.54Å; Y42-L65 HydrophobicContact CE2-CG 4.49Å; Y42-L65 WeakPolarHBondContact CE2-O 3.34Å; Y42-L65 HydrophobicContact CG-CD2 4.04Å; Y42-L65 PolarHBondContact OH-O 2.86Å; Y42-F68 WeakPolarHBondContact OH-CB 3.26Å; Y42-F68 PolarHBondContact OH-O 3.46Å; Y42-T69 PolarHBondContact OH-N 3.02Å | ||
| 43 | N | 81.9 | Confident | 85.3 | Confident | 58 Ų | 58 | 67 Ų | 67 | 31% | 0.31 | 33% | 0.331 | S | S | . | . | trans | -74 | 162.4 | 163.8 | 78.1 | 44.2 | 0 | 0 | 0 | 110.6 | E45 Q46 A47 | N43-E45 VanDerWaalsContact C-N 3.29Å; N43-E45 PolarHBondContact O-N 3.44Å; N43-E45 PolarHBondContact OD1-N 3.29Å; N43-Q46 VanDerWaalsContact CG-CD 3.5Å; N43-Q46 VanDerWaalsContact CG-OE1 3.24Å; N43-Q46 WeakPolarHBondContact ND2-CG 3.46Å; N43-Q46 PolarHBondContact ND2-OE1 2.98Å; N43-Q46 PolarHBondContact O-N 3.49Å; N43-Q46 WeakPolarHBondContact OD1-CG 3.43Å; N43-Q46 PolarHBondContact OD1-N 2.73Å; N43-A47 PolarHBondContact O-N 3.29Å | ||
| 44 | M | 81.7 | Confident | 85.3 | Confident | 116 Ų | 116 | 67.7 Ų | 67.7 | 57% | 0.571 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -58.1 | -40.3 | -174.1 | -170.6 | 178.7 | -135 | 0 | 0 | 112.6 | I33 A47 L48 | I33-M44 HydrophobicContact CD1-CE 4.15Å; I33-M44 HydrophobicContact CG2-CE 4.38Å; I33-M44 HydrophobicContact CG2-CG 4.29Å; M44-A47 PolarHBondContact O-N 3.18Å; M44-L48 HydrophobicContact CG-CD1 4.3Å; M44-L48 WeakPolarHBondContact O-CB 3.46Å; M44-L48 VanDerWaalsContact O-CG 3.25Å; M44-L48 WeakPolarHBondContact O-CG 3.32Å; M44-L48 PolarHBondContact O-N 2.91Å |
| 45 | E | 83.9 | Confident | 85.1 | Confident | 147 Ų | 147 | 74.6 Ų | 74.6 | 69% | 0.687 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -70.4 | -37.4 | -179.8 | -62.5 | -173.5 | 162.7 | 0 | 0 | 112.2 | N43 G49 | N43-E45 VanDerWaalsContact C-N 3.29Å; N43-E45 PolarHBondContact O-N 3.44Å; N43-E45 PolarHBondContact OD1-N 3.29Å; E45-G49 PolarHBondContact O-N 3.32Å |
| 46 | Q | 84.6 | Confident | 85.1 | Confident | 73 Ų | 73 | 73.7 Ų | 73.7 | 34% | 0.341 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.8 | -41.9 | 174.6 | -67.3 | 167.7 | -35.9 | 0 | 0 | 111.1 | Y42 N43 G49 M50 | Y42-Q46 HydrophobicContact CD1-CB 3.7Å; N43-Q46 VanDerWaalsContact CG-CD 3.5Å; N43-Q46 VanDerWaalsContact CG-OE1 3.24Å; N43-Q46 WeakPolarHBondContact ND2-CG 3.46Å; N43-Q46 PolarHBondContact ND2-OE1 2.98Å; N43-Q46 PolarHBondContact O-N 3.49Å; N43-Q46 WeakPolarHBondContact OD1-CG 3.43Å; N43-Q46 PolarHBondContact OD1-N 2.73Å; Q46-G49 PolarHBondContact O-N 3.11Å; Q46-M50 WeakPolarHBondContact O-CB 3.36Å; Q46-M50 PolarHBondContact O-N 3.45Å |
| 47 | A | 87.6 | Confident | 85.1 | Confident | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y32 A36 N43 M44 M50 L51 | Y32-A47 HydrophobicContact CE1-CB 4.24Å; Y32-A47 WeakPolarHBondContact CE1-O 3.25Å; Y32-A47 PolarHBondContact OH-O 3.09Å; Y32-A47 VanDerWaalsContact OH-O 3.1Å; A36-A47 HydrophobicContact CB-CB 3.71Å; N43-A47 PolarHBondContact O-N 3.29Å; M44-A47 PolarHBondContact O-N 3.18Å; A47-M50 PolarHBondContact O-N 3.5Å; A47-L51 WeakPolarHBondContact O-CB 3.2Å; A47-L51 PolarHBondContact O-N 3Å |
| 48 | L | 88.4 | Confident | 85.3 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 15% | 0.152 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 174.8 | -70 | 176 | 0 | 0 | 0 | 111.8 | W18 L29 I33 M44 M50 L51 F52 | W18-L48 HydrophobicContact CB-CB 4.37Å; W18-L48 HydrophobicContact CD2-CB 4.04Å; W18-L48 HydrophobicContact CD2-CD2 3.9Å; W18-L48 HydrophobicContact CD2-CG 4.38Å; W18-L48 HydrophobicContact CE3-CB 3.82Å; W18-L48 HydrophobicContact CE3-CD2 3.87Å; W18-L48 HydrophobicContact CE3-CG 4.41Å; W18-L48 VanDerWaalsContact CE3-O 3.26Å; W18-L48 HydrophobicContact CG-CB 4.28Å; W18-L48 HydrophobicContact CG-CD1 4.46Å; W18-L48 HydrophobicContact CH2-CD2 3.82Å; W18-L48 HydrophobicContact CZ2-CD2 3.85Å; W18-L48 HydrophobicContact CZ3-CB 4.43Å; W18-L48 HydrophobicContact CZ3-CD2 3.84Å; L29-L48 HydrophobicContact CD1-CD2 3.98Å; I33-L48 HydrophobicContact CD1-CD2 3.94Å; I33-L48 HydrophobicContact CD1-CG 4.45Å; I33-L48 HydrophobicContact CG1-CD2 4.43Å; M44-L48 HydrophobicContact CG-CD1 4.3Å; M44-L48 WeakPolarHBondContact O-CB 3.46Å; M44-L48 VanDerWaalsContact O-CG 3.25Å; M44-L48 WeakPolarHBondContact O-CG 3.32Å; M44-L48 PolarHBondContact O-N 2.91Å; L48-M50 PolarHBondContact O-N 3.04Å; L48-L51 PolarHBondContact O-N 3.43Å; L48-F52 WeakPolarHBondContact O-CB 3.15Å; L48-F52 PolarHBondContact O-N 3.28Å |
| 49 | G | 87.7 | Confident | 85.4 | Confident | 21 Ų | 21 | 71.4 Ų | 71.4 | 22% | 0.216 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.1 | -46.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V17 E45 Q46 F52 W53 | V17-G49 VanDerWaalsContact O-CA 3.27Å; V17-G49 WeakPolarHBondContact O-CA 3.42Å; E45-G49 PolarHBondContact O-N 3.32Å; Q46-G49 PolarHBondContact O-N 3.11Å; G49-F52 PolarHBondContact O-N 3.38Å; G49-W53 PolarHBondContact O-N 3.23Å |
| 50 | M | 87.7 | Confident | 85.7 | Confident | 23 Ų | 23 | 70.1 Ų | 70.1 | 11% | 0.113 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 176.5 | -165 | 65.6 | 178.1 | 0 | 0 | 111 | Q46 A47 L48 F52 W53 H54 D64 L65 F68 | Q46-M50 WeakPolarHBondContact O-CB 3.36Å; Q46-M50 PolarHBondContact O-N 3.45Å; A47-M50 PolarHBondContact O-N 3.5Å; L48-M50 PolarHBondContact O-N 3.04Å; M50-F52 VanDerWaalsContact C-N 3.33Å; M50-F52 PolarHBondContact O-N 2.88Å; M50-W53 VanDerWaalsContact O-CB 3.32Å; M50-W53 WeakPolarHBondContact O-CB 3.18Å; M50-W53 PolarHBondContact O-N 2.95Å; M50-H54 WeakPolarHBondContact CE-NE2 3.22Å; M50-H54 PolarHBondContact O-CD2 3.25Å; M50-H54 PolarHBondContact O-N 3.14Å; M50-D64 HydrophobicContact CE-CB 3.43Å; M50-D64 VanDerWaalsContact CE-CB 3.43Å; M50-L65 HydrophobicContact CG-CD2 4.33Å; M50-F68 HydrophobicContact CE-CB 4.29Å; M50-F68 HydrophobicContact CE-CD2 3.44Å; M50-F68 VanDerWaalsContact CE-CD2 3.44Å; M50-F68 HydrophobicContact CE-CE2 4.09Å; M50-F68 HydrophobicContact CE-CG 4.14Å |
| 51 | L | 89.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65 | -38.3 | 178.5 | -175 | 60.7 | 0 | 0 | 0 | 112.3 | W18 L24 L29 Y32 A47 L48 H54 K55 H56 I58 S61 | W18-L51 HydrophobicContact CH2-CD2 3.82Å; W18-L51 HydrophobicContact CH2-CG 4.41Å; W18-L51 HydrophobicContact CZ3-CB 4.07Å; W18-L51 HydrophobicContact CZ3-CD2 3.84Å; W18-L51 HydrophobicContact CZ3-CG 4Å; L24-L51 HydrophobicContact CD1-CD2 4.46Å; L29-L51 HydrophobicContact CD1-CD2 3.34Å; Y32-L51 HydrophobicContact CD1-CB 4.4Å; Y32-L51 HydrophobicContact CD1-CD2 3.81Å; Y32-L51 HydrophobicContact CD1-CG 4.5Å; Y32-L51 HydrophobicContact CE1-CB 3.66Å; Y32-L51 HydrophobicContact CE1-CD1 4.38Å; Y32-L51 HydrophobicContact CE1-CD2 3.92Å; Y32-L51 HydrophobicContact CE1-CG 4.2Å; Y32-L51 HydrophobicContact CG-CD2 4.47Å; A47-L51 WeakPolarHBondContact O-CB 3.2Å; A47-L51 PolarHBondContact O-N 3Å; L48-L51 PolarHBondContact O-N 3.43Å; L51-H54 CarbonylContact O-C 3.54Å; L51-H54 PolarHBondContact O-N 2.99Å; L51-K55 PolarHBondContact O-N 3.32Å; L51-H56 WeakPolarHBondContact O-CA 3.25Å; L51-H56 PolarHBondContact O-N 3.32Å; L51-I58 HydrophobicContact CD1-CG1 4.08Å; L51-S61 WeakPolarHBondContact CA-OG 3.4Å; L51-S61 PolarHBondContact N-OG 2.79Å |
| 52 | F | 88.7 | Confident | 86.7 | Confident | 59 Ų | 59 | 67.9 Ų | 67.9 | 26% | 0.259 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 175.1 | -176.4 | -117.9 | 0 | 0 | 0 | 111.9 | L16 V17 W18 S19 L48 G49 M50 H54 K55 H56 | L16-F52 HydrophobicContact CD2-CE1 4.24Å; L16-F52 HydrophobicContact CD2-CZ 3.84Å; L16-F52 HydrophobicContact CG-CE1 4.16Å; L16-F52 HydrophobicContact CG-CZ 4.18Å; L16-F52 WeakPolarHBondContact O-CE1 3.5Å; V17-F52 WeakPolarHBondContact O-CB 3.45Å; W18-F52 HydrophobicContact CE3-CB 3.97Å; S19-F52 VanDerWaalsContact OG-CE2 3.22Å; S19-F52 WeakPolarHBondContact OG-CE2 3.33Å; L48-F52 WeakPolarHBondContact O-CB 3.15Å; L48-F52 PolarHBondContact O-N 3.28Å; G49-F52 PolarHBondContact O-N 3.38Å; M50-F52 VanDerWaalsContact C-N 3.33Å; M50-F52 PolarHBondContact O-N 2.88Å; F52-H54 VanDerWaalsContact C-N 3.27Å; F52-H54 PolarHBondContact O-N 3.19Å; F52-K55 WeakPolarHBondContact O-CA 3.34Å; F52-K55 PolarHBondContact O-N 3.45Å; F52-H56 AromaticContact CD2-CE1 3.68Å |
| 53 | W | 86.6 | Confident | 87 | Confident | 211 Ų | 211 | 70.5 Ų | 70.5 | 80% | 0.799 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -57 | -40.9 | 174.8 | -172.6 | -86.7 | 0 | 0 | 0 | 112.1 | G49 M50 K55 | G49-W53 PolarHBondContact O-N 3.23Å; M50-W53 VanDerWaalsContact O-CB 3.32Å; M50-W53 WeakPolarHBondContact O-CB 3.18Å; M50-W53 PolarHBondContact O-N 2.95Å; W53-K55 PolarHBondContact O-N 2.88Å |
| 54 | H | 88.3 | Confident | 87.1 | Confident | 33 Ų | 33 | 70.1 Ų | 70.1 | 15% | 0.153 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 16.2 | 175.2 | -67.9 | -73.6 | 0 | 0 | 0 | 114.3 | M50 L51 F52 H56 N57 K60 S61 D64 | M50-H54 WeakPolarHBondContact CE-NE2 3.22Å; M50-H54 PolarHBondContact O-CD2 3.25Å; M50-H54 PolarHBondContact O-N 3.14Å; L51-H54 CarbonylContact O-C 3.54Å; L51-H54 PolarHBondContact O-N 2.99Å; F52-H54 VanDerWaalsContact C-N 3.27Å; F52-H54 PolarHBondContact O-N 3.19Å; H54-H56 PolarHBondContact O-N 3.07Å; H54-N57 VanDerWaalsContact O-CB 3.29Å; H54-N57 WeakPolarHBondContact O-CB 3.25Å; H54-N57 PolarHBondContact O-N 3.26Å; H54-N57 VanDerWaalsContact O-N 3.11Å; H54-K60 HydrophobicContact CB-CB 4.35Å; H54-S61 VanDerWaalsContact CD2-CA 3.47Å; H54-S61 WeakPolarHBondContact CD2-CA 3.39Å; H54-D64 IonicContact CE1-OD2 3.17Å; H54-D64 PolarHBondContact CE1-OD2 3.05Å; H54-D64 IonicContact NE2-OD2 2.9Å |
| 55 | K | 86.8 | Confident | 87.2 | Confident | 182 Ų | 182 | 64.6 Ų | 64.6 | 79% | 0.791 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 40.8 | -179.4 | -54.4 | 179.3 | -179.2 | 175.2 | 0 | 112.4 | L51 F52 W53 N57 | L51-K55 PolarHBondContact O-N 3.32Å; F52-K55 WeakPolarHBondContact O-CA 3.34Å; F52-K55 PolarHBondContact O-N 3.45Å; W53-K55 PolarHBondContact O-N 2.88Å; K55-N57 VanDerWaalsContact C-N 3.26Å; K55-N57 PolarHBondContact O-N 3.39Å |
| 56 | H | 88.5 | Confident | 86.9 | Confident | 24 Ų | 24 | 61 Ų | 61 | 11% | 0.111 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 21.8 | -178.7 | -51.5 | 87.2 | 0 | 0 | 0 | 114.8 | W18 S19 N21 L24 L51 F52 H54 I58 | W18-H56 AromaticContact CH2-CD2 3.42Å; W18-H56 VanDerWaalsContact CH2-CD2 3.42Å; W18-H56 WeakPolarHBondContact CH2-CD2 3.42Å; W18-H56 AromaticContact CH2-NE2 3.65Å; W18-H56 AromaticContact CZ3-CD2 3.52Å; W18-H56 AromaticContact CZ3-NE2 3.55Å; S19-H56 PolarHBondContact O-CE1 3.47Å; S19-H56 VanDerWaalsContact O-CE1 3.29Å; S19-H56 PolarHBondContact O-NE2 2.95Å; N21-H56 HydrophobicContact CB-CB 4.16Å; N21-H56 WeakPolarHBondContact ND2-CB 3.48Å; N21-H56 VanDerWaalsContact ND2-CG 3.32Å; N21-H56 PolarHBondContact ND2-ND1 3.25Å; N21-H56 VanDerWaalsContact ND2-ND1 3.18Å; L24-H56 HydrophobicContact CD1-CB 3.92Å; L24-H56 VanDerWaalsContact CD1-O 3.24Å; L24-H56 WeakPolarHBondContact CD1-O 3.47Å; L51-H56 WeakPolarHBondContact O-CA 3.25Å; L51-H56 PolarHBondContact O-N 3.32Å; F52-H56 AromaticContact CD2-CE1 3.68Å; H54-H56 PolarHBondContact O-N 3.07Å; H56-I58 PolarHBondContact O-N 3.5Å |
| 57 | N | 87.6 | Confident | 86.5 | Confident | 59 Ų | 59 | 62.9 Ų | 62.9 | 32% | 0.316 | 31% | 0.313 | S | S | . | . | trans | -85.7 | 106.6 | 171.3 | -172.7 | -55.1 | 0 | 0 | 0 | 110.2 | H54 K55 E59 K60 S61 | H54-N57 VanDerWaalsContact O-CB 3.29Å; H54-N57 WeakPolarHBondContact O-CB 3.25Å; H54-N57 PolarHBondContact O-N 3.26Å; H54-N57 VanDerWaalsContact O-N 3.11Å; K55-N57 VanDerWaalsContact C-N 3.26Å; K55-N57 PolarHBondContact O-N 3.39Å; N57-E59 PolarHBondContact OD1-N 3.14Å; N57-K60 HydrophobicContact CB-CB 4.26Å; N57-K60 HydrophobicContact CB-CD 4.33Å; N57-K60 HydrophobicContact CB-CG 4.44Å; N57-K60 WeakPolarHBondContact OD1-CG 3.46Å; N57-K60 PolarHBondContact OD1-N 3.34Å; N57-S61 WeakPolarHBondContact O-CB 3.23Å; N57-S61 PolarHBondContact O-N 3.48Å; N57-S61 VanDerWaalsContact O-N 3.12Å | ||
| 58 | I | 88.1 | Confident | 85.7 | Confident | 39 Ų | 39 | 69.1 Ų | 69.1 | 20% | 0.2 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.3 | -47.5 | -176.8 | -65.7 | 175.9 | 0 | 0 | 0 | 111.5 | L24 K28 Y32 L51 H56 K60 S61 L62 | L24-I58 HydrophobicContact CD1-CD1 4.03Å; L24-I58 HydrophobicContact CD1-CG1 3.97Å; L24-I58 HydrophobicContact CD2-CD1 4.31Å; L24-I58 HydrophobicContact CG-CD1 4.26Å; K28-I58 HydrophobicContact CB-CD1 3.88Å; Y32-I58 HydrophobicContact CD2-CG2 3.95Å; Y32-I58 HydrophobicContact CG-CG2 4.46Å; L51-I58 HydrophobicContact CD1-CG1 4.08Å; H56-I58 PolarHBondContact O-N 3.5Å; I58-K60 PolarHBondContact O-N 3.31Å; I58-S61 PolarHBondContact O-N 3.13Å; I58-L62 HydrophobicContact CG2-CD1 3.71Å; I58-L62 HydrophobicContact CG2-CG 4.08Å; I58-L62 WeakPolarHBondContact O-CB 3.45Å; I58-L62 VanDerWaalsContact O-CG 3.32Å; I58-L62 WeakPolarHBondContact O-CG 3.25Å; I58-L62 PolarHBondContact O-N 2.84Å |
| 59 | E | 87.3 | Confident | 84.3 | Confident | 159 Ų | 159 | 71 Ų | 71 | 74% | 0.743 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | -174.9 | -66.6 | 174.6 | -175.4 | 0 | 0 | 112.2 | N57 S61 L62 A63 | N57-E59 PolarHBondContact OD1-N 3.14Å; E59-S61 VanDerWaalsContact C-N 3.34Å; E59-L62 PolarHBondContact O-N 3.46Å; E59-A63 PolarHBondContact O-N 3.35Å |
| 60 | K | 87.1 | Confident | 82.8 | Confident | 130 Ų | 130 | 71.9 Ų | 71.9 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.9 | -40.8 | 176.4 | -69.8 | -176.9 | 179.7 | -174.8 | 0 | 111.7 | H54 N57 I58 A63 D64 | H54-K60 HydrophobicContact CB-CB 4.35Å; N57-K60 HydrophobicContact CB-CB 4.26Å; N57-K60 HydrophobicContact CB-CD 4.33Å; N57-K60 HydrophobicContact CB-CG 4.44Å; N57-K60 WeakPolarHBondContact OD1-CG 3.46Å; N57-K60 PolarHBondContact OD1-N 3.34Å; I58-K60 PolarHBondContact O-N 3.31Å; K60-A63 PolarHBondContact O-N 2.91Å; K60-D64 PolarHBondContact O-N 2.84Å |
| 61 | S | 89.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 177.7 | -156.8 | 0 | 0 | 0 | 0 | 111.7 | Y32 L51 H54 N57 I58 E59 A63 D64 L65 | Y32-S61 PolarHBondContact OH-OG 2.71Å; L51-S61 WeakPolarHBondContact CA-OG 3.4Å; L51-S61 PolarHBondContact N-OG 2.79Å; H54-S61 VanDerWaalsContact CD2-CA 3.47Å; H54-S61 WeakPolarHBondContact CD2-CA 3.39Å; N57-S61 WeakPolarHBondContact O-CB 3.23Å; N57-S61 PolarHBondContact O-N 3.48Å; N57-S61 VanDerWaalsContact O-N 3.12Å; I58-S61 PolarHBondContact O-N 3.13Å; E59-S61 VanDerWaalsContact C-N 3.34Å; S61-A63 VanDerWaalsContact C-N 3.35Å; S61-A63 PolarHBondContact O-N 2.83Å; S61-D64 PolarHBondContact O-N 2.9Å; S61-L65 WeakPolarHBondContact O-CG 3.4Å; S61-L65 PolarHBondContact O-N 3.27Å |
| 62 | L | 87.1 | Confident | 79.2 | Confident | 52 Ų | 52 | 85 Ų | 85 | 27% | 0.272 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.1 | -39 | 177.1 | -74 | 177.1 | 0 | 0 | 0 | 112.7 | Y32 I35 I58 E59 D64 L65 P66 | Y32-L62 HydrophobicContact CD2-CD2 3.58Å; Y32-L62 HydrophobicContact CD2-CG 3.83Å; Y32-L62 HydrophobicContact CE2-CD2 3.8Å; Y32-L62 HydrophobicContact CE2-CG 4.05Å; I35-L62 HydrophobicContact CB-CD2 4.24Å; I35-L62 HydrophobicContact CG2-CD2 3.64Å; I58-L62 HydrophobicContact CG2-CD1 3.71Å; I58-L62 HydrophobicContact CG2-CG 4.08Å; I58-L62 WeakPolarHBondContact O-CB 3.45Å; I58-L62 VanDerWaalsContact O-CG 3.32Å; I58-L62 WeakPolarHBondContact O-CG 3.25Å; I58-L62 PolarHBondContact O-N 2.84Å; E59-L62 PolarHBondContact O-N 3.46Å; L62-D64 PolarHBondContact O-N 3.24Å; L62-L65 HydrophobicContact CD2-CD1 3.63Å; L62-L65 PolarHBondContact O-N 3.38Å; L62-P66 WeakPolarHBondContact O-CD 3.28Å |
| 63 | A | 87.3 | Confident | 77.7 | Confident | 65 Ų | 65 | 88.3 Ų | 88.3 | 54% | 0.537 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.3 | -29.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | E59 K60 S61 | E59-A63 PolarHBondContact O-N 3.35Å; K60-A63 PolarHBondContact O-N 2.91Å; S61-A63 VanDerWaalsContact C-N 3.35Å; S61-A63 PolarHBondContact O-N 2.83Å |
| 64 | D | 84.3 | Confident | 77 | Confident | 50 Ų | 50 | 84.2 Ų | 84.2 | 27% | 0.267 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -97.4 | -10 | -178.3 | -81 | -28.1 | 0 | 0 | 0 | 114.3 | M50 H54 K60 S61 L62 P66 N67 F68 | M50-D64 HydrophobicContact CE-CB 3.43Å; M50-D64 VanDerWaalsContact CE-CB 3.43Å; H54-D64 IonicContact CE1-OD2 3.17Å; H54-D64 PolarHBondContact CE1-OD2 3.05Å; H54-D64 IonicContact NE2-OD2 2.9Å; K60-D64 PolarHBondContact O-N 2.84Å; S61-D64 PolarHBondContact O-N 2.9Å; L62-D64 PolarHBondContact O-N 3.24Å; D64-P66 VanDerWaalsContact C-CD 3.45Å; D64-N67 WeakPolarHBondContact O-CB 3.46Å; D64-N67 PolarHBondContact O-N 3.2Å; D64-N67 PolarHBondContact OD1-ND2 3.45Å; D64-F68 HydrophobicContact CB-CD2 4.13Å; D64-F68 HydrophobicContact CB-CE2 4.24Å; D64-F68 WeakPolarHBondContact O-CD2 3.3Å; D64-F68 PolarHBondContact O-N 2.86Å |
| 65 | L | 83.1 | Confident | 76.6 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -42.1 | 173.6 | -76.4 | 173.8 | 0 | 0 | 0 | 113.9 | Y32 A36 H40 Y42 M50 S61 L62 N67 T69 | Y32-L65 HydrophobicContact CE2-CD1 4.22Å; A36-L65 HydrophobicContact CB-CD1 3.8Å; A36-L65 HydrophobicContact CB-CD2 3.98Å; H40-L65 HydrophobicContact CB-CB 4.32Å; Y42-L65 HydrophobicContact CD1-CD2 4.09Å; Y42-L65 HydrophobicContact CD2-CD2 3.77Å; Y42-L65 HydrophobicContact CE1-CD2 3.9Å; Y42-L65 HydrophobicContact CE2-CB 4.25Å; Y42-L65 HydrophobicContact CE2-CD2 3.54Å; Y42-L65 HydrophobicContact CE2-CG 4.49Å; Y42-L65 WeakPolarHBondContact CE2-O 3.34Å; Y42-L65 HydrophobicContact CG-CD2 4.04Å; Y42-L65 PolarHBondContact OH-O 2.86Å; M50-L65 HydrophobicContact CG-CD2 4.33Å; S61-L65 WeakPolarHBondContact O-CG 3.4Å; S61-L65 PolarHBondContact O-N 3.27Å; L62-L65 HydrophobicContact CD2-CD1 3.63Å; L62-L65 PolarHBondContact O-N 3.38Å; L65-N67 VanDerWaalsContact C-N 3.28Å; L65-N67 PolarHBondContact O-N 3.09Å; L65-T69 PolarHBondContact O-N 2.9Å; L65-T69 PolarHBondContact O-OG1 3.33Å |
| 66 | P | 78.8 | Confident | 76.4 | Confident | 70 Ų | 70 | 78.7 Ų | 78.7 | 46% | 0.455 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -28.6 | 175.3 | -16.3 | 29.1 | 0 | 0 | 0 | 113.2 | L62 D64 T69 | L62-P66 WeakPolarHBondContact O-CD 3.28Å; D64-P66 VanDerWaalsContact C-CD 3.45Å; P66-T69 WeakPolarHBondContact CA-OG1 3.37Å; P66-T69 PolarHBondContact O-OG1 2.97Å |
| 67 | N | 75.3 | Confident | 76 | Confident | 114 Ų | 114 | 82.3 Ų | 82.3 | 61% | 0.61 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -26.6 | -174.7 | -65.1 | -31.7 | 0 | 0 | 0 | 112.5 | D64 L65 | D64-N67 WeakPolarHBondContact O-CB 3.46Å; D64-N67 PolarHBondContact O-N 3.2Å; D64-N67 PolarHBondContact OD1-ND2 3.45Å; L65-N67 VanDerWaalsContact C-N 3.28Å; L65-N67 PolarHBondContact O-N 3.09Å |
| 68 | F | 70.8 | Confident | 75.7 | Confident | 132 Ų | 132 | 85.6 Ų | 85.6 | 58% | 0.579 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | 18 | -178.1 | -67.2 | -79.3 | 0 | 0 | 0 | 113 | Y42 M50 D64 P70 | Y42-F68 WeakPolarHBondContact OH-CB 3.26Å; Y42-F68 PolarHBondContact OH-O 3.46Å; M50-F68 HydrophobicContact CE-CB 4.29Å; M50-F68 HydrophobicContact CE-CD2 3.44Å; M50-F68 VanDerWaalsContact CE-CD2 3.44Å; M50-F68 HydrophobicContact CE-CE2 4.09Å; M50-F68 HydrophobicContact CE-CG 4.14Å; D64-F68 HydrophobicContact CB-CD2 4.13Å; D64-F68 HydrophobicContact CB-CE2 4.24Å; D64-F68 WeakPolarHBondContact O-CD2 3.3Å; D64-F68 PolarHBondContact O-N 2.86Å; F68-P70 WeakPolarHBondContact O-CD 3.42Å |
| 69 | T | 60.3 | Low | 75.7 | Confident | 67 Ų | 67 | 85 Ų | 85 | 41% | 0.411 | 44% | 0.444 | S | S | . | . | trans | -53.8 | 106.9 | -179 | -57.6 | 0 | 0 | 0 | 0 | 108.6 | Y42 L65 P66 F71 | Y42-T69 PolarHBondContact OH-N 3.02Å; L65-T69 PolarHBondContact O-N 2.9Å; L65-T69 PolarHBondContact O-OG1 3.33Å; P66-T69 WeakPolarHBondContact CA-OG1 3.37Å; P66-T69 PolarHBondContact O-OG1 2.97Å; T69-F71 PolarHBondContact O-N 3.39Å | ||
| 70 | P | 55.2 | Low | 75.8 | Confident | 41 Ų | 41 | 81.4 Ų | 81.4 | 27% | 0.266 | 43% | 0.427 | S | S | . | . | trans | -65.7 | 135.4 | -175.7 | 25 | -29.8 | 0 | 0 | 0 | 108 | F68 P72 | F68-P70 WeakPolarHBondContact O-CD 3.42Å; P70-P72 VanDerWaalsContact O-CD 3.32Å; P70-P72 WeakPolarHBondContact O-CD 3.46Å; P70-P72 VanDerWaalsContact O-N 3.09Å | ||
| 71 | F | 47 | Very low | 75.9 | Confident | 206 Ų | 206 | 79.6 Ų | 79.6 | 90% | 0.904 | 43% | 0.426 | S | S | * | . | trans | -54.6 | 120 | 167.1 | -105.9 | -93.3 | 0 | 0 | 0 | 107.5 | T69 D73 | T69-F71 PolarHBondContact O-N 3.39Å; F71-D73 PolarHBondContact O-N 3.32Å | ||
| 72 | P | 54.5 | Low | 76 | Confident | 93 Ų | 93 | 83 Ų | 83 | 60% | 0.604 | 44% | 0.444 | S | S | * | . | trans | -68.5 | 105.8 | -172.6 | 23.1 | -29.6 | 0 | 0 | 0 | 108.9 | P70 E74 | P70-P72 VanDerWaalsContact O-CD 3.32Å; P70-P72 WeakPolarHBondContact O-CD 3.46Å; P70-P72 VanDerWaalsContact O-N 3.09Å; P72-E74 PolarHBondContact O-N 2.96Å | ||
| 73 | D | 58.3 | Low | 76.3 | Confident | 127 Ų | 127 | 80.6 Ų | 80.6 | 68% | 0.679 | 43% | 0.431 | S | S | * | . | trans | -72.7 | 14.3 | 167.2 | -147.5 | 21.8 | 0 | 0 | 0 | 111 | F71 | F71-D73 PolarHBondContact O-N 3.32Š| ||
| 74 | E | 71.3 | Confident | 76.5 | Confident | 125 Ų | 125 | 80.8 Ų | 80.8 | 58% | 0.584 | 42% | 0.421 | S | S | * | . | trans | -85.5 | 133.1 | 179.4 | -67 | -168.2 | 172.2 | 0 | 0 | 110.8 | P72 T76 K104 | P72-E74 PolarHBondContact O-N 2.96Å; E74-T76 PolarHBondContact O-N 3.49Å; E74-K104 PolarHBondContact O-NZ 3.11Å | ||
| 75 | W | 80.3 | Confident | 76.8 | Confident | 40 Ų | 40 | 83 Ų | 83 | 15% | 0.152 | 43% | 0.43 | C | S | . | . | trans | -85.3 | 106 | 170.9 | -80.8 | 78.4 | 0 | 0 | 0 | 108.7 | D79 K80 F83 L101 K104 S108 L109 F112 | W75-D79 HydrophobicContact CE3-CB 3.66Å; W75-D79 HydrophobicContact CZ3-CB 4.11Å; W75-K80 HydrophobicContact CB-CG 4.33Å; W75-K80 HydrophobicContact CE3-CG 4.38Å; W75-K80 VanDerWaalsContact O-CE 3.24Å; W75-K80 WeakPolarHBondContact O-CE 3.5Å; W75-K80 PolarHBondContact O-NZ 3.29Å; W75-F83 HydrophobicContact CH2-CB 4.33Å; W75-F83 AromaticContact CH2-CD2 3.84Å; W75-F83 HydrophobicContact CH2-CD2 3.84Å; W75-F83 HydrophobicContact CH2-CG 4.26Å; W75-F83 HydrophobicContact CZ3-CB 3.81Å; W75-F83 HydrophobicContact CZ3-CD2 4.19Å; W75-F83 HydrophobicContact CZ3-CG 4.17Å; W75-L101 HydrophobicContact CH2-CD1 4.37Å; W75-L101 HydrophobicContact CZ3-CD1 4.22Å; W75-K104 HydrophobicContact CH2-CG 4.29Å; W75-K104 HydrophobicContact CZ2-CG 4.3Å; W75-S108 PolarHBondContact NE1-OG 3.32Å; W75-L109 HydrophobicContact CH2-CD2 3.59Å; W75-L109 HydrophobicContact CZ2-CD2 4.09Å; W75-F112 HydrophobicContact CB-CD2 4.43Å; W75-F112 HydrophobicContact CB-CE2 4.38Å; W75-F112 HydrophobicContact CD2-CB 4.13Å; W75-F112 HydrophobicContact CD2-CD1 4.31Å; W75-F112 AromaticContact CD2-CD2 3.46Å; W75-F112 HydrophobicContact CD2-CD2 3.46Å; W75-F112 VanDerWaalsContact CD2-CD2 3.46Å; W75-F112 AromaticContact CD2-CE2 3.96Å; W75-F112 HydrophobicContact CD2-CE2 3.96Å; W75-F112 AromaticContact CD2-CG 3.69Å; W75-F112 HydrophobicContact CD2-CG 3.69Å; W75-F112 VanDerWaalsContact CE2-CB 3.43Å; W75-F112 AromaticContact CE2-CD2 3.68Å; W75-F112 AromaticContact CE2-CG 3.54Å; W75-F112 HydrophobicContact CE3-CD1 4Å; W75-F112 AromaticContact CE3-CD2 3.85Å; W75-F112 HydrophobicContact CE3-CD2 3.85Å; W75-F112 HydrophobicContact CE3-CE1 4.17Å; W75-F112 HydrophobicContact CE3-CE2 4.02Å; W75-F112 AromaticContact CE3-CG 3.86Å; W75-F112 HydrophobicContact CE3-CG 3.86Å; W75-F112 HydrophobicContact CE3-CZ 4.2Å; W75-F112 AromaticContact CG-CD2 3.74Å; W75-F112 HydrophobicContact CG-CD2 3.74Å; W75-F112 HydrophobicContact CG-CE2 4.13Å; W75-F112 HydrophobicContact CG-CG 4.4Å; W75-F112 HydrophobicContact CH2-CB 3.75Å; W75-F112 AromaticContact CH2-CD1 3.69Å; W75-F112 HydrophobicContact CH2-CD1 3.69Å; W75-F112 HydrophobicContact CH2-CD2 4.46Å; W75-F112 HydrophobicContact CH2-CE1 4.48Å; W75-F112 AromaticContact CH2-CG 3.7Å; W75-F112 HydrophobicContact CH2-CG 3.7Å; W75-F112 HydrophobicContact CZ2-CB 3.22Å; W75-F112 HydrophobicContact CZ2-CD1 4.06Å; W75-F112 HydrophobicContact CZ2-CD2 4.19Å; W75-F112 AromaticContact CZ2-CG 3.56Å; W75-F112 HydrophobicContact CZ2-CG 3.56Å; W75-F112 HydrophobicContact CZ3-CB 4.42Å; W75-F112 AromaticContact CZ3-CD1 3.7Å; W75-F112 HydrophobicContact CZ3-CD1 3.7Å; W75-F112 HydrophobicContact CZ3-CD2 4.33Å; W75-F112 HydrophobicContact CZ3-CE1 4.05Å; W75-F112 AromaticContact CZ3-CG 3.88Å; W75-F112 HydrophobicContact CZ3-CG 3.88Å | ||
| 76 | T | 83.3 | Confident | 77.2 | Confident | 60 Ų | 60 | 83.2 Ų | 83.2 | 37% | 0.368 | 43% | 0.431 | S | S | . | . | trans | -66.5 | 169.1 | 175.8 | 68.2 | 0 | 0 | 0 | 0 | 110.8 | E74 E78 D79 K80 | E74-T76 PolarHBondContact O-N 3.49Å; T76-E78 VanDerWaalsContact CB-OE2 3.29Å; T76-E78 WeakPolarHBondContact CB-OE2 3.23Å; T76-E78 PolarHBondContact O-N 2.99Å; T76-E78 PolarHBondContact OG1-OE2 3.33Å; T76-D79 PolarHBondContact N-OD2 3.05Å; T76-D79 VanDerWaalsContact N-OD2 3.15Å; T76-D79 PolarHBondContact O-N 3.04Å; T76-D79 WeakPolarHBondContact OG1-CB 3.37Å; T76-D79 PolarHBondContact OG1-N 3.22Å; T76-D79 PolarHBondContact OG1-OD1 3.05Å; T76-D79 PolarHBondContact OG1-OD2 2.95Å; T76-D79 VanDerWaalsContact OG1-OD2 3.14Å; T76-K80 VanDerWaalsContact O-CG 3.24Å; T76-K80 WeakPolarHBondContact O-CG 3.32Å; T76-K80 PolarHBondContact O-N 3.42Å | ||
| 77 | V | 78.6 | Confident | 77.9 | Confident | 100 Ų | 100 | 81.6 Ų | 81.6 | 61% | 0.606 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.4 | -37 | 176.5 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | K80 V81 | V77-K80 PolarHBondContact O-N 2.98Å; V77-V81 WeakPolarHBondContact O-CG2 3.44Å; V77-V81 PolarHBondContact O-N 3.33Å |
| 78 | E | 81.9 | Confident | 78.6 | Confident | 127 Ų | 127 | 79.8 Ų | 79.8 | 59% | 0.593 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.3 | -47 | 175.5 | -61 | 71.3 | -155.3 | 0 | 0 | 111 | T76 K80 V81 L82 | T76-E78 VanDerWaalsContact CB-OE2 3.29Å; T76-E78 WeakPolarHBondContact CB-OE2 3.23Å; T76-E78 PolarHBondContact O-N 2.99Å; T76-E78 PolarHBondContact OG1-OE2 3.33Å; E78-K80 VanDerWaalsContact C-N 3.29Å; E78-K80 PolarHBondContact O-N 3.48Å; E78-V81 PolarHBondContact O-N 3.39Å; E78-L82 WeakPolarHBondContact O-CB 3.4Å; E78-L82 WeakPolarHBondContact O-CG 3.39Å; E78-L82 PolarHBondContact O-N 3.17Å |
| 79 | D | 89.5 | Confident | 79.5 | Confident | 26 Ų | 26 | 80.5 Ų | 80.5 | 14% | 0.139 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60 | -40 | 177.1 | -69.5 | -28.1 | 0 | 0 | 0 | 111.7 | W75 T76 F83 L101 K104 | W75-D79 HydrophobicContact CE3-CB 3.66Å; W75-D79 HydrophobicContact CZ3-CB 4.11Å; T76-D79 PolarHBondContact N-OD2 3.05Å; T76-D79 VanDerWaalsContact N-OD2 3.15Å; T76-D79 PolarHBondContact O-N 3.04Å; T76-D79 WeakPolarHBondContact OG1-CB 3.37Å; T76-D79 PolarHBondContact OG1-N 3.22Å; T76-D79 PolarHBondContact OG1-OD1 3.05Å; T76-D79 PolarHBondContact OG1-OD2 2.95Å; T76-D79 VanDerWaalsContact OG1-OD2 3.14Å; D79-F83 VanDerWaalsContact O-CB 3.28Å; D79-F83 WeakPolarHBondContact O-CB 3.12Å; D79-F83 PolarHBondContact O-N 3.49Å; D79-L101 HydrophobicContact CB-CD2 4.47Å; D79-K104 VanDerWaalsContact CG-CE 3.42Å; D79-K104 WeakPolarHBondContact OD2-CE 3.34Å; D79-K104 IonicContact OD2-NZ 3.96Å; D79-K104 PolarHBondContact OD2-NZ 3.28Å |
| 80 | K | 88.3 | Confident | 80.9 | Confident | 85 Ų | 85 | 80 Ų | 80 | 37% | 0.37 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.5 | -44.5 | 179.3 | -67 | 170.6 | -174.9 | 159.9 | 0 | 110.8 | W75 T76 V77 E78 F83 E84 F112 | W75-K80 HydrophobicContact CB-CG 4.33Å; W75-K80 HydrophobicContact CE3-CG 4.38Å; W75-K80 VanDerWaalsContact O-CE 3.24Å; W75-K80 WeakPolarHBondContact O-CE 3.5Å; W75-K80 PolarHBondContact O-NZ 3.29Å; T76-K80 VanDerWaalsContact O-CG 3.24Å; T76-K80 WeakPolarHBondContact O-CG 3.32Å; T76-K80 PolarHBondContact O-N 3.42Å; V77-K80 PolarHBondContact O-N 2.98Å; E78-K80 VanDerWaalsContact C-N 3.29Å; E78-K80 PolarHBondContact O-N 3.48Å; K80-F83 PolarHBondContact O-N 2.91Å; K80-E84 WeakPolarHBondContact O-CG 3.37Å; K80-E84 PolarHBondContact O-N 3.04Å; K80-F112 HydrophobicContact CB-CZ 4.18Å; K80-F112 HydrophobicContact CD-CE2 4.46Å; K80-F112 HydrophobicContact CD-CZ 4.42Å; K80-F112 HydrophobicContact CG-CE2 3.9Å; K80-F112 HydrophobicContact CG-CZ 3.62Å |
| 81 | V | 89.5 | Confident | 82.5 | Confident | 91 Ų | 91 | 79.4 Ų | 79.4 | 55% | 0.552 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.2 | -44.9 | 177.5 | 174 | 0 | 0 | 0 | 0 | 110.8 | V77 E78 F83 E84 Q85 | V77-V81 WeakPolarHBondContact O-CG2 3.44Å; V77-V81 PolarHBondContact O-N 3.33Å; E78-V81 PolarHBondContact O-N 3.39Å; V81-F83 VanDerWaalsContact C-N 3.32Å; V81-F83 PolarHBondContact O-N 2.87Å; V81-E84 PolarHBondContact O-N 3.01Å; V81-Q85 PolarHBondContact O-N 3.42Å |
| 82 | L | 91.4 | Very high | 84.6 | Confident | 73 Ų | 73 | 76.2 Ų | 76.2 | 38% | 0.382 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 175.8 | -78.5 | 170.4 | 0 | 0 | 0 | 111.9 | E78 Q85 A86 L101 | E78-L82 WeakPolarHBondContact O-CB 3.4Å; E78-L82 WeakPolarHBondContact O-CG 3.39Å; E78-L82 PolarHBondContact O-N 3.17Å; L82-Q85 PolarHBondContact O-N 3.11Å; L82-A86 WeakPolarHBondContact O-CB 3.48Å; L82-A86 PolarHBondContact O-N 2.94Å; L82-L101 HydrophobicContact CB-CD1 4.47Å; L82-L101 HydrophobicContact CB-CD2 3.81Å; L82-L101 HydrophobicContact CB-CG 4.23Å; L82-L101 HydrophobicContact CD1-CD2 3.94Å |
| 83 | F | 93.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 174.3 | -179.7 | -88.7 | 0 | 0 | 0 | 112.1 | W75 D79 K80 V81 Q85 A86 F87 F94 I97 L101 L109 F112 Y113 W116 | W75-F83 HydrophobicContact CH2-CB 4.33Å; W75-F83 AromaticContact CH2-CD2 3.84Å; W75-F83 HydrophobicContact CH2-CD2 3.84Å; W75-F83 HydrophobicContact CH2-CG 4.26Å; W75-F83 HydrophobicContact CZ3-CB 3.81Å; W75-F83 HydrophobicContact CZ3-CD2 4.19Å; W75-F83 HydrophobicContact CZ3-CG 4.17Å; D79-F83 VanDerWaalsContact O-CB 3.28Å; D79-F83 WeakPolarHBondContact O-CB 3.12Å; D79-F83 PolarHBondContact O-N 3.49Å; K80-F83 PolarHBondContact O-N 2.91Å; V81-F83 VanDerWaalsContact C-N 3.32Å; V81-F83 PolarHBondContact O-N 2.87Å; F83-Q85 VanDerWaalsContact C-N 3.34Å; F83-Q85 PolarHBondContact O-N 2.73Å; F83-A86 PolarHBondContact O-N 3.27Å; F83-F87 HydrophobicContact CE1-CB 4.41Å; F83-F87 HydrophobicContact CZ-CD2 4.36Å; F83-F87 WeakPolarHBondContact O-CB 3.31Å; F83-F87 PolarHBondContact O-N 3.17Å; F83-F94 HydrophobicContact CE2-CE1 4.44Å; F83-F94 HydrophobicContact CZ-CE1 4.46Å; F83-I97 HydrophobicContact CD2-CG2 3.89Å; F83-I97 HydrophobicContact CE2-CD1 4.4Å; F83-I97 HydrophobicContact CE2-CG2 4.17Å; F83-L101 HydrophobicContact CB-CD1 3.86Å; F83-L101 HydrophobicContact CD2-CD1 4.32Å; F83-L109 HydrophobicContact CD2-CD2 4.05Å; F83-L109 HydrophobicContact CE2-CB 4.36Å; F83-L109 HydrophobicContact CE2-CD2 4.34Å; F83-F112 HydrophobicContact CB-CD1 4.39Å; F83-F112 HydrophobicContact CB-CE1 4.16Å; F83-F112 AromaticContact CD1-CD1 3.57Å; F83-F112 HydrophobicContact CD1-CD1 3.57Å; F83-F112 AromaticContact CD1-CE1 3.43Å; F83-F112 HydrophobicContact CD1-CE1 3.43Å; F83-F112 VanDerWaalsContact CD1-CE1 3.43Å; F83-F112 HydrophobicContact CD2-CD1 4.04Å; F83-F112 AromaticContact CE1-CD1 3.75Å; F83-F112 HydrophobicContact CE1-CD1 3.75Å; F83-F112 AromaticContact CE1-CE1 3.93Å; F83-F112 HydrophobicContact CE1-CE1 3.93Å; F83-F112 HydrophobicContact CE2-CD1 4.2Å; F83-F112 AromaticContact CG-CD1 3.72Å; F83-F112 HydrophobicContact CG-CD1 3.72Å; F83-F112 AromaticContact CG-CE1 3.79Å; F83-F112 HydrophobicContact CG-CE1 3.79Å; F83-F112 HydrophobicContact CZ-CD1 4.07Å; F83-Y113 HydrophobicContact CZ-CD2 4.43Å; F83-W116 HydrophobicContact CE1-CD2 4.42Å; F83-W116 HydrophobicContact CE1-CE3 4.2Å |
| 84 | E | 91.8 | Very high | 88.2 | Confident | 70 Ų | 70 | 71 Ų | 71 | 33% | 0.327 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 177.3 | -72 | -152 | -159.4 | 0 | 0 | 112.3 | K80 V81 S88 W116 R120 | K80-E84 WeakPolarHBondContact O-CG 3.37Å; K80-E84 PolarHBondContact O-N 3.04Å; V81-E84 PolarHBondContact O-N 3.01Å; E84-S88 WeakPolarHBondContact O-CB 3.37Å; E84-S88 PolarHBondContact O-N 3.46Å; E84-W116 HydrophobicContact CB-CZ2 4.5Å; E84-W116 VanDerWaalsContact CD-NE1 3.35Å; E84-W116 HydrophobicContact CG-CZ2 3.59Å; E84-W116 PolarHBondContact OE1-NE1 3.2Å; E84-R120 IonicContact OE2-CZ 2.76Å; E84-R120 IonicContact OE2-NH2 2.99Å; E84-R120 PolarHBondContact OE2-NH2 3.2Å |
| 85 | Q | 91.1 | Very high | 89.2 | Confident | 97 Ų | 97 | 70.9 Ų | 70.9 | 45% | 0.453 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.8 | -45.7 | 178.2 | -167.2 | 66.4 | 45.8 | 0 | 0 | 111.7 | V81 L82 F83 F87 S88 F89 | V81-Q85 PolarHBondContact O-N 3.42Å; L82-Q85 PolarHBondContact O-N 3.11Å; F83-Q85 VanDerWaalsContact C-N 3.34Å; F83-Q85 PolarHBondContact O-N 2.73Å; Q85-F87 VanDerWaalsContact C-N 3.3Å; Q85-F87 PolarHBondContact O-N 3.19Å; Q85-S88 PolarHBondContact O-N 2.89Å; Q85-S88 PolarHBondContact O-OG 3.36Å; Q85-F89 HydrophobicContact CG-CD2 4.16Å; Q85-F89 HydrophobicContact CG-CE2 3.83Å; Q85-F89 WeakPolarHBondContact O-CD2 3.41Å; Q85-F89 PolarHBondContact O-N 3.47Å |
| 86 | A | 91.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 74.7 Ų | 74.7 | 3% | 0.025 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L82 F83 H90 I97 M100 | L82-A86 WeakPolarHBondContact O-CB 3.48Å; L82-A86 PolarHBondContact O-N 2.94Å; F83-A86 PolarHBondContact O-N 3.27Å; A86-H90 WeakPolarHBondContact O-CB 3.39Å; A86-H90 PolarHBondContact O-CD2 2.94Å; A86-H90 PolarHBondContact O-N 3.47Å; A86-I97 HydrophobicContact CB-CB 4.31Å; A86-I97 HydrophobicContact CB-CG1 4.12Å; A86-I97 HydrophobicContact CB-CG2 3.96Å; A86-M100 HydrophobicContact CB-CB 4.11Å; A86-M100 HydrophobicContact CB-CG 4.12Å |
| 87 | F | 93.1 | Very high | 90.3 | Very high | 36 Ų | 36 | 71.8 Ų | 71.8 | 16% | 0.158 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.8 | -34.2 | 176.2 | -172.2 | -87.9 | 0 | 0 | 0 | 112.5 | F83 Q85 F89 G91 K92 I97 Y113 W116 | F83-F87 HydrophobicContact CE1-CB 4.41Å; F83-F87 HydrophobicContact CZ-CD2 4.36Å; F83-F87 WeakPolarHBondContact O-CB 3.31Å; F83-F87 PolarHBondContact O-N 3.17Å; Q85-F87 VanDerWaalsContact C-N 3.3Å; Q85-F87 PolarHBondContact O-N 3.19Å; F87-F89 VanDerWaalsContact C-N 3.33Å; F87-G91 VanDerWaalsContact CD2-O 3.22Å; F87-G91 WeakPolarHBondContact CD2-O 3.46Å; F87-G91 WeakPolarHBondContact CE2-O 3.47Å; F87-G91 VanDerWaalsContact O-CA 3.3Å; F87-G91 WeakPolarHBondContact O-CA 3.42Å; F87-G91 PolarHBondContact O-N 2.74Å; F87-K92 HydrophobicContact CE2-CG 4.06Å; F87-K92 HydrophobicContact CZ-CG 4.25Å; F87-I97 HydrophobicContact CB-CD1 4.05Å; F87-I97 HydrophobicContact CD2-CD1 3.79Å; F87-I97 HydrophobicContact CG-CD1 4.41Å; F87-Y113 HydrophobicContact CD2-CD2 4.34Å; F87-Y113 AromaticContact CE2-CD2 3.75Å; F87-Y113 HydrophobicContact CE2-CD2 3.75Å; F87-Y113 AromaticContact CE2-CE2 3.55Å; F87-Y113 HydrophobicContact CE2-CE2 3.55Å; F87-Y113 HydrophobicContact CZ-CD2 4.19Å; F87-Y113 AromaticContact CZ-CE2 3.57Å; F87-Y113 HydrophobicContact CZ-CE2 3.57Å; F87-W116 HydrophobicContact CD1-CH2 4.21Å; F87-W116 HydrophobicContact CD1-CZ3 4.29Å; F87-W116 HydrophobicContact CE1-CZ3 4.4Å |
| 88 | S | 89.9 | Confident | 91.1 | Very high | 77 Ų | 77 | 69.8 Ų | 69.8 | 54% | 0.538 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.7 | -36 | 177.2 | 71.1 | 0 | 0 | 0 | 0 | 112.2 | E84 Q85 | E84-S88 WeakPolarHBondContact O-CB 3.37Å; E84-S88 PolarHBondContact O-N 3.46Å; Q85-S88 PolarHBondContact O-N 2.89Å; Q85-S88 PolarHBondContact O-OG 3.36Å |
| 89 | F | 88.5 | Confident | 91.6 | Very high | 147 Ų | 147 | 69.7 Ų | 69.7 | 65% | 0.645 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -83.4 | -39.9 | 177.5 | -70.5 | -61.1 | 0 | 0 | 0 | 114.2 | Q85 F87 | Q85-F89 HydrophobicContact CG-CD2 4.16Å; Q85-F89 HydrophobicContact CG-CE2 3.83Å; Q85-F89 WeakPolarHBondContact O-CD2 3.41Å; Q85-F89 PolarHBondContact O-N 3.47Å; F87-F89 VanDerWaalsContact C-N 3.33Å |
| 90 | H | 91 | Very high | 91.5 | Very high | 57 Ų | 57 | 73.2 Ų | 73.2 | 26% | 0.264 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -110.8 | -4.5 | -168 | -57.3 | -52.2 | 0 | 0 | 0 | 114.5 | A86 T93 R96 | A86-H90 WeakPolarHBondContact O-CB 3.39Å; A86-H90 PolarHBondContact O-CD2 2.94Å; A86-H90 PolarHBondContact O-N 3.47Å; H90-T93 WeakPolarHBondContact O-CB 3.27Å; H90-T93 PolarHBondContact O-N 3.23Å; H90-T93 PolarHBondContact O-OG1 3.42Å; H90-R96 HydrophobicContact CB-CB 4.13Å; H90-R96 HydrophobicContact CB-CG 3.81Å; H90-R96 VanDerWaalsContact CD2-CG 3.5Å; H90-R96 WeakPolarHBondContact CD2-CG 3.43Å; H90-R96 PolarHBondContact CE1-NE 3.45Å; H90-R96 WeakPolarHBondContact ND1-CG 3.45Å |
| 91 | G | 89.1 | Confident | 91.5 | Very high | 27 Ų | 27 | 69.5 Ų | 69.5 | 28% | 0.278 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | -138.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F87 T93 I97 | F87-G91 VanDerWaalsContact CD2-O 3.22Å; F87-G91 WeakPolarHBondContact CD2-O 3.46Å; F87-G91 WeakPolarHBondContact CE2-O 3.47Å; F87-G91 VanDerWaalsContact O-CA 3.3Å; F87-G91 WeakPolarHBondContact O-CA 3.42Å; F87-G91 PolarHBondContact O-N 2.74Å; G91-T93 PolarHBondContact O-N 2.9Å; G91-T93 VanDerWaalsContact O-N 3.16Å; G91-I97 WeakPolarHBondContact O-CD1 3.44Å |
| 92 | K | 90.6 | Very high | 91.3 | Very high | 139 Ų | 139 | 69.5 Ų | 69.5 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 15.4 | -178.4 | -64.1 | 179.4 | -178.3 | 173.4 | 0 | 114.1 | F87 F94 Y113 | F87-K92 HydrophobicContact CE2-CG 4.06Å; F87-K92 HydrophobicContact CZ-CG 4.25Å; K92-F94 HydrophobicContact CB-CE2 4.33Å; K92-F94 WeakPolarHBondContact O-CD2 3.3Å; K92-F94 PolarHBondContact O-N 3.39Å; K92-Y113 VanDerWaalsContact CE-OH 3.31Å; K92-Y113 WeakPolarHBondContact CE-OH 3.35Å |
| 93 | T | 93 | Very high | 91 | Very high | 79 Ų | 79 | 73.2 Ų | 73.2 | 49% | 0.485 | 37% | 0.368 | S | S | . | . | trans | -78.8 | 75.6 | 178 | -45.9 | 0 | 0 | 0 | 0 | 109.2 | H90 G91 H95 R96 I97 | H90-T93 WeakPolarHBondContact O-CB 3.27Å; H90-T93 PolarHBondContact O-N 3.23Å; H90-T93 PolarHBondContact O-OG1 3.42Å; G91-T93 PolarHBondContact O-N 2.9Å; G91-T93 VanDerWaalsContact O-N 3.16Å; T93-H95 PolarHBondContact O-N 3.1Å; T93-R96 HydrophobicContact CG2-CB 3.72Å; T93-R96 WeakPolarHBondContact O-CA 3.17Å; T93-R96 WeakPolarHBondContact O-CB 3.38Å; T93-R96 PolarHBondContact O-N 2.61Å; T93-I97 PolarHBondContact O-N 3.48Å | ||
| 94 | F | 94.4 | Very high | 90.6 | Very high | 31 Ų | 31 | 74.2 Ų | 74.2 | 14% | 0.136 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.9 | -32.2 | -172.8 | -70 | -75.9 | 0 | 0 | 0 | 113.6 | F83 K92 R96 I97 Q98 I106 L109 V110 Y113 | F83-F94 HydrophobicContact CE2-CE1 4.44Å; F83-F94 HydrophobicContact CZ-CE1 4.46Å; K92-F94 HydrophobicContact CB-CE2 4.33Å; K92-F94 WeakPolarHBondContact O-CD2 3.3Å; K92-F94 PolarHBondContact O-N 3.39Å; F94-R96 PolarHBondContact O-N 2.89Å; F94-I97 HydrophobicContact CD1-CD1 4.35Å; F94-I97 PolarHBondContact O-N 3.13Å; F94-Q98 WeakPolarHBondContact O-CB 3.42Å; F94-Q98 PolarHBondContact O-N 2.83Å; F94-I106 HydrophobicContact CB-CG2 4.26Å; F94-L109 HydrophobicContact CD1-CB 3.94Å; F94-V110 HydrophobicContact CD1-CG2 4.05Å; F94-V110 HydrophobicContact CD2-CG2 3.89Å; F94-V110 HydrophobicContact CE1-CG2 4.07Å; F94-V110 HydrophobicContact CE2-CG2 3.91Å; F94-V110 HydrophobicContact CG-CG2 3.96Å; F94-V110 HydrophobicContact CZ-CG2 4Å; F94-Y113 HydrophobicContact CE1-CG 4.33Å; F94-Y113 HydrophobicContact CZ-CD1 4.16Å; F94-Y113 HydrophobicContact CZ-CD2 4.44Å; F94-Y113 AromaticContact CZ-CG 3.91Å; F94-Y113 HydrophobicContact CZ-CG 3.91Å |
| 95 | H | 94.1 | Very high | 90.6 | Very high | 124 Ų | 124 | 73.9 Ų | 73.9 | 57% | 0.574 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.1 | -32.5 | 172.8 | -62 | 88.5 | 0 | 0 | 0 | 112.6 | T93 I106 | T93-H95 PolarHBondContact O-N 3.1Å; H95-I106 WeakPolarHBondContact NE2-CD1 3.44Å |
| 96 | R | 93.3 | Very high | 90.5 | Very high | 119 Ų | 119 | 72 Ų | 72 | 45% | 0.449 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -80.4 | -35.7 | 176.1 | -173.4 | 58.9 | 172.8 | -161.3 | -6.9 | 111.7 | H90 T93 F94 Q98 Q99 | H90-R96 HydrophobicContact CB-CB 4.13Å; H90-R96 HydrophobicContact CB-CG 3.81Å; H90-R96 VanDerWaalsContact CD2-CG 3.5Å; H90-R96 WeakPolarHBondContact CD2-CG 3.43Å; H90-R96 PolarHBondContact CE1-NE 3.45Å; H90-R96 WeakPolarHBondContact ND1-CG 3.45Å; T93-R96 HydrophobicContact CG2-CB 3.72Å; T93-R96 WeakPolarHBondContact O-CA 3.17Å; T93-R96 WeakPolarHBondContact O-CB 3.38Å; T93-R96 PolarHBondContact O-N 2.61Å; F94-R96 PolarHBondContact O-N 2.89Å; R96-Q98 VanDerWaalsContact C-N 3.31Å; R96-Q99 WeakPolarHBondContact O-CB 3.39Å; R96-Q99 PolarHBondContact O-N 3.38Å |
| 97 | I | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 171.3 | -64.2 | 176.9 | 0 | 0 | 0 | 110.7 | F83 A86 F87 G91 T93 F94 Q99 M100 L101 L109 | F83-I97 HydrophobicContact CD2-CG2 3.89Å; F83-I97 HydrophobicContact CE2-CD1 4.4Å; F83-I97 HydrophobicContact CE2-CG2 4.17Å; A86-I97 HydrophobicContact CB-CB 4.31Å; A86-I97 HydrophobicContact CB-CG1 4.12Å; A86-I97 HydrophobicContact CB-CG2 3.96Å; F87-I97 HydrophobicContact CB-CD1 4.05Å; F87-I97 HydrophobicContact CD2-CD1 3.79Å; F87-I97 HydrophobicContact CG-CD1 4.41Å; G91-I97 WeakPolarHBondContact O-CD1 3.44Å; T93-I97 PolarHBondContact O-N 3.48Å; F94-I97 HydrophobicContact CD1-CD1 4.35Å; F94-I97 PolarHBondContact O-N 3.13Å; I97-Q99 PolarHBondContact O-N 2.97Å; I97-M100 WeakPolarHBondContact O-CB 3.23Å; I97-M100 PolarHBondContact O-N 3.07Å; I97-L101 HydrophobicContact CG2-CD1 4.38Å; I97-L101 PolarHBondContact O-N 3.15Å; I97-L109 HydrophobicContact CB-CD1 4.44Å; I97-L109 HydrophobicContact CG2-CD1 4.12Å; I97-L109 HydrophobicContact CG2-CD2 4.24Å |
| 98 | Q | 94.2 | Very high | 90.1 | Very high | 58 Ų | 58 | 74.3 Ų | 74.3 | 27% | 0.271 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.2 | -28.6 | 177.7 | -169.7 | -179.7 | 21.3 | 0 | 0 | 112.8 | F94 R96 M100 L101 P102 I106 L109 | F94-Q98 WeakPolarHBondContact O-CB 3.42Å; F94-Q98 PolarHBondContact O-N 2.83Å; R96-Q98 VanDerWaalsContact C-N 3.31Å; Q98-M100 PolarHBondContact O-N 3.33Å; Q98-L101 CarbonylContact O-C 3.35Å; Q98-L101 PolarHBondContact O-N 3.24Å; Q98-L101 VanDerWaalsContact O-N 3.08Å; Q98-P102 VanDerWaalsContact O-CA 3.31Å; Q98-P102 WeakPolarHBondContact O-CA 3.39Å; Q98-I106 VanDerWaalsContact OE1-CG1 3.29Å; Q98-L109 HydrophobicContact CB-CD1 3.78Å; Q98-L109 HydrophobicContact CG-CD1 4.36Å |
| 99 | Q | 92.6 | Very high | 90.3 | Very high | 124 Ų | 124 | 70.7 Ų | 70.7 | 58% | 0.579 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -24.8 | 174.7 | -66.7 | 171.9 | 7.6 | 0 | 0 | 112.4 | R96 I97 | R96-Q99 WeakPolarHBondContact O-CB 3.39Å; R96-Q99 PolarHBondContact O-N 3.38Å; I97-Q99 PolarHBondContact O-N 2.97Å |
| 100 | M | 86.7 | Confident | 90.5 | Very high | 101 Ų | 101 | 65.9 Ų | 65.9 | 50% | 0.498 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -14.9 | 175 | -59 | -66.6 | -67.7 | 0 | 0 | 112.8 | A86 I97 Q98 | A86-M100 HydrophobicContact CB-CB 4.11Å; A86-M100 HydrophobicContact CB-CG 4.12Å; I97-M100 WeakPolarHBondContact O-CB 3.23Å; I97-M100 PolarHBondContact O-N 3.07Å; Q98-M100 PolarHBondContact O-N 3.33Å |
| 101 | L | 89.3 | Confident | 90.3 | Very high | 7 Ų | 7 | 70.5 Ų | 70.5 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | trans | -136.6 | 67.6 | -179.3 | -72.7 | 170.2 | 0 | 0 | 0 | 109 | W75 D79 L82 F83 I97 Q98 D103 K104 L109 | W75-L101 HydrophobicContact CH2-CD1 4.37Å; W75-L101 HydrophobicContact CZ3-CD1 4.22Å; D79-L101 HydrophobicContact CB-CD2 4.47Å; L82-L101 HydrophobicContact CB-CD1 4.47Å; L82-L101 HydrophobicContact CB-CD2 3.81Å; L82-L101 HydrophobicContact CB-CG 4.23Å; L82-L101 HydrophobicContact CD1-CD2 3.94Å; F83-L101 HydrophobicContact CB-CD1 3.86Å; F83-L101 HydrophobicContact CD2-CD1 4.32Å; I97-L101 HydrophobicContact CG2-CD1 4.38Å; I97-L101 PolarHBondContact O-N 3.15Å; Q98-L101 CarbonylContact O-C 3.35Å; Q98-L101 PolarHBondContact O-N 3.24Å; Q98-L101 VanDerWaalsContact O-N 3.08Å; L101-D103 PolarHBondContact O-N 3.43Å; L101-K104 HydrophobicContact CB-CB 4.27Å; L101-K104 HydrophobicContact CB-CG 4.25Å; L101-K104 PolarHBondContact O-N 3.45Å; L101-K104 VanDerWaalsContact O-N 3.12Å; L101-L109 HydrophobicContact CB-CD2 4.34Å; L101-L109 HydrophobicContact CD1-CD2 3.96Å | ||
| 102 | P | 85.9 | Confident | 90.4 | Very high | 91 Ų | 91 | 70.1 Ų | 70.1 | 59% | 0.591 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -28.6 | -172.2 | 25.4 | -34.4 | 0 | 0 | 0 | 112.4 | Q98 K104 | Q98-P102 VanDerWaalsContact O-CA 3.31Å; Q98-P102 WeakPolarHBondContact O-CA 3.39Å; P102-K104 VanDerWaalsContact C-N 3.28Å; P102-K104 PolarHBondContact O-N 3.49Å |
| 103 | D | 83.3 | Confident | 90.4 | Very high | 151 Ų | 151 | 64.1 Ų | 64.1 | 81% | 0.807 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -9.1 | -178.5 | -55.6 | -37 | 0 | 0 | 0 | 113.2 | L101 | L101-D103 PolarHBondContact O-N 3.43Š|
| 104 | K | 86.3 | Confident | 90.1 | Very high | 20 Ų | 20 | 67.7 Ų | 67.7 | 9% | 0.087 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -101.8 | 118.8 | 175.5 | -57.4 | -54.2 | -176.1 | -164.5 | 0 | 109.7 | E74 W75 D79 L101 P102 L109 | E74-K104 PolarHBondContact O-NZ 3.11Å; W75-K104 HydrophobicContact CH2-CG 4.29Å; W75-K104 HydrophobicContact CZ2-CG 4.3Å; D79-K104 VanDerWaalsContact CG-CE 3.42Å; D79-K104 WeakPolarHBondContact OD2-CE 3.34Å; D79-K104 IonicContact OD2-NZ 3.96Å; D79-K104 PolarHBondContact OD2-NZ 3.28Å; L101-K104 HydrophobicContact CB-CB 4.27Å; L101-K104 HydrophobicContact CB-CG 4.25Å; L101-K104 PolarHBondContact O-N 3.45Å; L101-K104 VanDerWaalsContact O-N 3.12Å; P102-K104 VanDerWaalsContact C-N 3.28Å; P102-K104 PolarHBondContact O-N 3.49Å; K104-L109 HydrophobicContact CB-CD2 3.59Å; K104-L109 HydrophobicContact CB-CG 4.09Å; K104-L109 HydrophobicContact CG-CD2 4.35Å |
| 105 | S | 90.8 | Very high | 89.5 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | trans | -62.7 | 153.1 | 173.7 | 71.4 | 0 | 0 | 0 | 0 | 111.4 | A107 S108 L109 | S105-A107 PolarHBondContact O-N 3.11Å; S105-A107 VanDerWaalsContact O-N 3.14Å; S105-S108 WeakPolarHBondContact O-CA 3.31Å; S105-S108 WeakPolarHBondContact O-CB 3.48Å; S105-S108 PolarHBondContact O-N 3.17Å; S105-S108 PolarHBondContact OG-N 3.43Å; S105-L109 WeakPolarHBondContact O-CG 3.3Å; S105-L109 PolarHBondContact O-N 3.14Å | ||
| 106 | I | 90.6 | Very high | 89 | Confident | 58 Ų | 58 | 64.5 Ų | 64.5 | 30% | 0.297 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -52.1 | -39.9 | 175.7 | -61.1 | 170.4 | 0 | 0 | 0 | 110.9 | F94 H95 Q98 S108 L109 V110 | F94-I106 HydrophobicContact CB-CG2 4.26Å; H95-I106 WeakPolarHBondContact NE2-CD1 3.44Å; Q98-I106 VanDerWaalsContact OE1-CG1 3.29Å; I106-S108 PolarHBondContact O-N 3.03Å; I106-L109 PolarHBondContact O-N 3.32Å; I106-V110 HydrophobicContact CG2-CG2 4.3Å; I106-V110 WeakPolarHBondContact O-CB 3.34Å; I106-V110 VanDerWaalsContact O-CG2 3.24Å; I106-V110 WeakPolarHBondContact O-CG2 3.47Å; I106-V110 PolarHBondContact O-N 2.96Å |
| 107 | A | 87.4 | Confident | 88.3 | Confident | 73 Ų | 73 | 63.6 Ų | 63.6 | 60% | 0.603 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.6 | -42.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S105 V110 K111 | S105-A107 PolarHBondContact O-N 3.11Å; S105-A107 VanDerWaalsContact O-N 3.14Å; A107-V110 PolarHBondContact O-N 3.48Å; A107-K111 VanDerWaalsContact O-CB 3.3Å; A107-K111 WeakPolarHBondContact O-CB 3.34Å; A107-K111 PolarHBondContact O-N 3.48Å |
| 108 | S | 88.6 | Confident | 87 | Confident | 14 Ų | 14 | 71.6 Ų | 71.6 | 10% | 0.098 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 175.8 | -170 | 0 | 0 | 0 | 0 | 111.7 | W75 S105 I106 V110 K111 F112 | W75-S108 PolarHBondContact NE1-OG 3.32Å; S105-S108 WeakPolarHBondContact O-CA 3.31Å; S105-S108 WeakPolarHBondContact O-CB 3.48Å; S105-S108 PolarHBondContact O-N 3.17Å; S105-S108 PolarHBondContact OG-N 3.43Å; I106-S108 PolarHBondContact O-N 3.03Å; S108-V110 PolarHBondContact O-N 2.84Å; S108-K111 PolarHBondContact O-N 3.26Å; S108-F112 WeakPolarHBondContact O-CB 3.44Å; S108-F112 PolarHBondContact O-N 3.39Å |
| 109 | L | 92.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 175.8 | -62.4 | 179.5 | 0 | 0 | 0 | 112.1 | W75 F83 F94 I97 Q98 L101 K104 S105 I106 F112 Y113 | W75-L109 HydrophobicContact CH2-CD2 3.59Å; W75-L109 HydrophobicContact CZ2-CD2 4.09Å; F83-L109 HydrophobicContact CD2-CD2 4.05Å; F83-L109 HydrophobicContact CE2-CB 4.36Å; F83-L109 HydrophobicContact CE2-CD2 4.34Å; F94-L109 HydrophobicContact CD1-CB 3.94Å; I97-L109 HydrophobicContact CB-CD1 4.44Å; I97-L109 HydrophobicContact CG2-CD1 4.12Å; I97-L109 HydrophobicContact CG2-CD2 4.24Å; Q98-L109 HydrophobicContact CB-CD1 3.78Å; Q98-L109 HydrophobicContact CG-CD1 4.36Å; L101-L109 HydrophobicContact CB-CD2 4.34Å; L101-L109 HydrophobicContact CD1-CD2 3.96Å; K104-L109 HydrophobicContact CB-CD2 3.59Å; K104-L109 HydrophobicContact CB-CG 4.09Å; K104-L109 HydrophobicContact CG-CD2 4.35Å; S105-L109 WeakPolarHBondContact O-CG 3.3Å; S105-L109 PolarHBondContact O-N 3.14Å; I106-L109 PolarHBondContact O-N 3.32Å; L109-F112 PolarHBondContact O-N 2.87Å; L109-Y113 WeakPolarHBondContact O-CB 3.48Å; L109-Y113 PolarHBondContact O-N 3.36Å |
| 110 | V | 93.1 | Very high | 83.8 | Confident | 46 Ų | 46 | 71.3 Ų | 71.3 | 28% | 0.279 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.1 | -43 | 178 | 172.5 | 0 | 0 | 0 | 0 | 111 | F94 I106 A107 S108 F112 Y113 Y114 | F94-V110 HydrophobicContact CD1-CG2 4.05Å; F94-V110 HydrophobicContact CD2-CG2 3.89Å; F94-V110 HydrophobicContact CE1-CG2 4.07Å; F94-V110 HydrophobicContact CE2-CG2 3.91Å; F94-V110 HydrophobicContact CG-CG2 3.96Å; F94-V110 HydrophobicContact CZ-CG2 4Å; I106-V110 HydrophobicContact CG2-CG2 4.3Å; I106-V110 WeakPolarHBondContact O-CB 3.34Å; I106-V110 VanDerWaalsContact O-CG2 3.24Å; I106-V110 WeakPolarHBondContact O-CG2 3.47Å; I106-V110 PolarHBondContact O-N 2.96Å; A107-V110 PolarHBondContact O-N 3.48Å; S108-V110 PolarHBondContact O-N 2.84Å; V110-F112 VanDerWaalsContact C-N 3.32Å; V110-F112 PolarHBondContact O-N 3.41Å; V110-Y113 WeakPolarHBondContact O-CB 3.43Å; V110-Y113 PolarHBondContact O-N 3.36Å; V110-Y114 HydrophobicContact CG1-CD2 3.98Å; V110-Y114 HydrophobicContact CG1-CE2 3.75Å; V110-Y114 VanDerWaalsContact O-CD2 3.25Å; V110-Y114 WeakPolarHBondContact O-CD2 3.33Å; V110-Y114 PolarHBondContact O-N 3.46Å |
| 111 | K | 88.1 | Confident | 82.2 | Confident | 154 Ų | 154 | 72 Ų | 72 | 67% | 0.67 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.3 | -43.8 | 176.2 | -172.2 | 179.9 | -179.6 | -174.5 | 0 | 111 | A107 S108 Y114 S115 | A107-K111 VanDerWaalsContact O-CB 3.3Å; A107-K111 WeakPolarHBondContact O-CB 3.34Å; A107-K111 PolarHBondContact O-N 3.48Å; S108-K111 PolarHBondContact O-N 3.26Å; K111-Y114 PolarHBondContact O-N 3.19Å; K111-S115 PolarHBondContact O-N 3.19Å; K111-S115 PolarHBondContact O-OG 2.93Å |
| 112 | F | 89.8 | Confident | 80 | Confident | 20 Ų | 20 | 80.5 Ų | 80.5 | 9% | 0.088 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 175.5 | -175.3 | -100.6 | 0 | 0 | 0 | 112.6 | W75 K80 F83 S108 L109 V110 Y114 S115 W116 | W75-F112 HydrophobicContact CB-CD2 4.43Å; W75-F112 HydrophobicContact CB-CE2 4.38Å; W75-F112 HydrophobicContact CD2-CB 4.13Å; W75-F112 HydrophobicContact CD2-CD1 4.31Å; W75-F112 AromaticContact CD2-CD2 3.46Å; W75-F112 HydrophobicContact CD2-CD2 3.46Å; W75-F112 VanDerWaalsContact CD2-CD2 3.46Å; W75-F112 AromaticContact CD2-CE2 3.96Å; W75-F112 HydrophobicContact CD2-CE2 3.96Å; W75-F112 AromaticContact CD2-CG 3.69Å; W75-F112 HydrophobicContact CD2-CG 3.69Å; W75-F112 VanDerWaalsContact CE2-CB 3.43Å; W75-F112 AromaticContact CE2-CD2 3.68Å; W75-F112 AromaticContact CE2-CG 3.54Å; W75-F112 HydrophobicContact CE3-CD1 4Å; W75-F112 AromaticContact CE3-CD2 3.85Å; W75-F112 HydrophobicContact CE3-CD2 3.85Å; W75-F112 HydrophobicContact CE3-CE1 4.17Å; W75-F112 HydrophobicContact CE3-CE2 4.02Å; W75-F112 AromaticContact CE3-CG 3.86Å; W75-F112 HydrophobicContact CE3-CG 3.86Å; W75-F112 HydrophobicContact CE3-CZ 4.2Å; W75-F112 AromaticContact CG-CD2 3.74Å; W75-F112 HydrophobicContact CG-CD2 3.74Å; W75-F112 HydrophobicContact CG-CE2 4.13Å; W75-F112 HydrophobicContact CG-CG 4.4Å; W75-F112 HydrophobicContact CH2-CB 3.75Å; W75-F112 AromaticContact CH2-CD1 3.69Å; W75-F112 HydrophobicContact CH2-CD1 3.69Å; W75-F112 HydrophobicContact CH2-CD2 4.46Å; W75-F112 HydrophobicContact CH2-CE1 4.48Å; W75-F112 AromaticContact CH2-CG 3.7Å; W75-F112 HydrophobicContact CH2-CG 3.7Å; W75-F112 HydrophobicContact CZ2-CB 3.22Å; W75-F112 HydrophobicContact CZ2-CD1 4.06Å; W75-F112 HydrophobicContact CZ2-CD2 4.19Å; W75-F112 AromaticContact CZ2-CG 3.56Å; W75-F112 HydrophobicContact CZ2-CG 3.56Å; W75-F112 HydrophobicContact CZ3-CB 4.42Å; W75-F112 AromaticContact CZ3-CD1 3.7Å; W75-F112 HydrophobicContact CZ3-CD1 3.7Å; W75-F112 HydrophobicContact CZ3-CD2 4.33Å; W75-F112 HydrophobicContact CZ3-CE1 4.05Å; W75-F112 AromaticContact CZ3-CG 3.88Å; W75-F112 HydrophobicContact CZ3-CG 3.88Å; K80-F112 HydrophobicContact CB-CZ 4.18Å; K80-F112 HydrophobicContact CD-CE2 4.46Å; K80-F112 HydrophobicContact CD-CZ 4.42Å; K80-F112 HydrophobicContact CG-CE2 3.9Å; K80-F112 HydrophobicContact CG-CZ 3.62Å; F83-F112 HydrophobicContact CB-CD1 4.39Å; F83-F112 HydrophobicContact CB-CE1 4.16Å; F83-F112 AromaticContact CD1-CD1 3.57Å; F83-F112 HydrophobicContact CD1-CD1 3.57Å; F83-F112 AromaticContact CD1-CE1 3.43Å; F83-F112 HydrophobicContact CD1-CE1 3.43Å; F83-F112 VanDerWaalsContact CD1-CE1 3.43Å; F83-F112 HydrophobicContact CD2-CD1 4.04Å; F83-F112 AromaticContact CE1-CD1 3.75Å; F83-F112 HydrophobicContact CE1-CD1 3.75Å; F83-F112 AromaticContact CE1-CE1 3.93Å; F83-F112 HydrophobicContact CE1-CE1 3.93Å; F83-F112 HydrophobicContact CE2-CD1 4.2Å; F83-F112 AromaticContact CG-CD1 3.72Å; F83-F112 HydrophobicContact CG-CD1 3.72Å; F83-F112 AromaticContact CG-CE1 3.79Å; F83-F112 HydrophobicContact CG-CE1 3.79Å; F83-F112 HydrophobicContact CZ-CD1 4.07Å; S108-F112 WeakPolarHBondContact O-CB 3.44Å; S108-F112 PolarHBondContact O-N 3.39Å; L109-F112 PolarHBondContact O-N 2.87Å; V110-F112 VanDerWaalsContact C-N 3.32Å; V110-F112 PolarHBondContact O-N 3.41Å; F112-Y114 VanDerWaalsContact C-N 3.32Å; F112-Y114 PolarHBondContact O-N 3.01Å; F112-S115 WeakPolarHBondContact CA-OG 3.5Å; F112-S115 PolarHBondContact O-N 2.93Å; F112-S115 PolarHBondContact O-OG 3.02Å; F112-W116 HydrophobicContact CD1-CB 4.26Å; F112-W116 HydrophobicContact CE1-CB 3.88Å; F112-W116 HydrophobicContact CE1-CG 4.04Å; F112-W116 HydrophobicContact CZ-CB 4.02Å; F112-W116 HydrophobicContact CZ-CG 4.24Å; F112-W116 WeakPolarHBondContact O-CB 3.44Å; F112-W116 PolarHBondContact O-N 3.08Å |
| 113 | Y | 91.7 | Very high | 78.4 | Confident | 12 Ų | 12 | 79.8 Ų | 79.8 | 5% | 0.047 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -54.2 | -46.7 | 175.6 | 170.4 | -105.9 | 0 | 0 | 0 | 112.7 | F83 F87 K92 F94 L109 V110 K117 | F83-Y113 HydrophobicContact CZ-CD2 4.43Å; F87-Y113 HydrophobicContact CD2-CD2 4.34Å; F87-Y113 AromaticContact CE2-CD2 3.75Å; F87-Y113 HydrophobicContact CE2-CD2 3.75Å; F87-Y113 AromaticContact CE2-CE2 3.55Å; F87-Y113 HydrophobicContact CE2-CE2 3.55Å; F87-Y113 HydrophobicContact CZ-CD2 4.19Å; F87-Y113 AromaticContact CZ-CE2 3.57Å; F87-Y113 HydrophobicContact CZ-CE2 3.57Å; K92-Y113 VanDerWaalsContact CE-OH 3.31Å; K92-Y113 WeakPolarHBondContact CE-OH 3.35Å; F94-Y113 HydrophobicContact CE1-CG 4.33Å; F94-Y113 HydrophobicContact CZ-CD1 4.16Å; F94-Y113 HydrophobicContact CZ-CD2 4.44Å; F94-Y113 AromaticContact CZ-CG 3.91Å; F94-Y113 HydrophobicContact CZ-CG 3.91Å; L109-Y113 WeakPolarHBondContact O-CB 3.48Å; L109-Y113 PolarHBondContact O-N 3.36Å; V110-Y113 WeakPolarHBondContact O-CB 3.43Å; V110-Y113 PolarHBondContact O-N 3.36Å; Y113-K117 HydrophobicContact CE1-CD 4.12Å; Y113-K117 HydrophobicContact CE2-CB 4.5Å; Y113-K117 HydrophobicContact CE2-CD 4.35Å; Y113-K117 WeakPolarHBondContact O-CB 3.46Å; Y113-K117 PolarHBondContact O-N 2.99Å; Y113-K117 WeakPolarHBondContact OH-CD 3.22Å; Y113-K117 PolarHBondContact OH-NZ 2.92Å |
| 114 | Y | 87.4 | Confident | 76.7 | Confident | 154 Ų | 154 | 75.7 Ų | 75.7 | 60% | 0.604 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -73 | -31.5 | -177.6 | -76.1 | -70.1 | 0 | 0 | 0 | 113.1 | V110 K111 F112 | V110-Y114 HydrophobicContact CG1-CD2 3.98Å; V110-Y114 HydrophobicContact CG1-CE2 3.75Å; V110-Y114 VanDerWaalsContact O-CD2 3.25Å; V110-Y114 WeakPolarHBondContact O-CD2 3.33Å; V110-Y114 PolarHBondContact O-N 3.46Å; K111-Y114 PolarHBondContact O-N 3.19Å; F112-Y114 VanDerWaalsContact C-N 3.32Å; F112-Y114 PolarHBondContact O-N 3.01Å |
| 115 | S | 80 | Confident | 75 | Confident | 66 Ų | 66 | 79.9 Ų | 79.9 | 46% | 0.462 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -72.6 | -45.2 | 172.9 | 62.9 | 0 | 0 | 0 | 0 | 111.7 | K111 F112 K118 | K111-S115 PolarHBondContact O-N 3.19Å; K111-S115 PolarHBondContact O-OG 2.93Å; F112-S115 WeakPolarHBondContact CA-OG 3.5Å; F112-S115 PolarHBondContact O-N 2.93Å; F112-S115 PolarHBondContact O-OG 3.02Å; S115-K118 PolarHBondContact O-N 3.23Å |
| 116 | W | 84.7 | Confident | 72.8 | Confident | 23 Ų | 23 | 83.9 Ų | 83.9 | 9% | 0.087 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 178.9 | 174.2 | 86.6 | 0 | 0 | 0 | 113.3 | F83 E84 F87 F112 K118 T119 R120 | F83-W116 HydrophobicContact CE1-CD2 4.42Å; F83-W116 HydrophobicContact CE1-CE3 4.2Å; E84-W116 HydrophobicContact CB-CZ2 4.5Å; E84-W116 VanDerWaalsContact CD-NE1 3.35Å; E84-W116 HydrophobicContact CG-CZ2 3.59Å; E84-W116 PolarHBondContact OE1-NE1 3.2Å; F87-W116 HydrophobicContact CD1-CH2 4.21Å; F87-W116 HydrophobicContact CD1-CZ3 4.29Å; F87-W116 HydrophobicContact CE1-CZ3 4.4Å; F112-W116 HydrophobicContact CD1-CB 4.26Å; F112-W116 HydrophobicContact CE1-CB 3.88Å; F112-W116 HydrophobicContact CE1-CG 4.04Å; F112-W116 HydrophobicContact CZ-CB 4.02Å; F112-W116 HydrophobicContact CZ-CG 4.24Å; F112-W116 WeakPolarHBondContact O-CB 3.44Å; F112-W116 PolarHBondContact O-N 3.08Å; W116-K118 PolarHBondContact O-N 3.39Å; W116-T119 PolarHBondContact O-N 3.41Å; W116-T119 PolarHBondContact O-OG1 2.9Å; W116-R120 VanDerWaalsContact CH2-CZ 3.4Å; W116-R120 VanDerWaalsContact CH2-NH1 3.32Å; W116-R120 VanDerWaalsContact CZ2-CD 3.42Å; W116-R120 HydrophobicContact CZ2-CG 4.35Å; W116-R120 PolarHBondContact O-N 3.26Å |
| 117 | K | 79.1 | Confident | 71 | Confident | 99 Ų | 99 | 84.5 Ų | 84.5 | 43% | 0.43 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.6 | -33.9 | 177.6 | -177.8 | -174.2 | -176.2 | 179.7 | 0 | 112 | Y113 T119 | Y113-K117 HydrophobicContact CE1-CD 4.12Å; Y113-K117 HydrophobicContact CE2-CB 4.5Å; Y113-K117 HydrophobicContact CE2-CD 4.35Å; Y113-K117 WeakPolarHBondContact O-CB 3.46Å; Y113-K117 PolarHBondContact O-N 2.99Å; Y113-K117 WeakPolarHBondContact OH-CD 3.22Å; Y113-K117 PolarHBondContact OH-NZ 2.92Å; K117-T119 VanDerWaalsContact C-N 3.32Å |
| 118 | K | 65.9 | Low | 69.4 | Low | 169 Ų | 169 | 90.9 Ų | 90.9 | 74% | 0.735 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -71 | -26.6 | -178.6 | -164.5 | 177 | -179.7 | -178.2 | 0 | 112.5 | S115 W116 | S115-K118 PolarHBondContact O-N 3.23Å; W116-K118 PolarHBondContact O-N 3.39Å |
| 119 | T | 59.2 | Low | 67.7 | Low | 95 Ų | 95 | 96.1 Ų | 96.1 | 58% | 0.583 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -92.3 | -29.3 | 175.8 | 46.7 | 0 | 0 | 0 | 0 | 112.8 | W116 K117 T121 K122 | W116-T119 PolarHBondContact O-N 3.41Å; W116-T119 PolarHBondContact O-OG1 2.9Å; K117-T119 VanDerWaalsContact C-N 3.32Å; T119-T121 VanDerWaalsContact C-N 3.33Å; T119-T121 PolarHBondContact O-N 3.07Å; T119-K122 PolarHBondContact O-N 3.12Å |
| 120 | R | 60.3 | Low | 65.9 | Low | 80 Ų | 80 | 99 Ų | 99 | 30% | 0.302 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.4 | -30.6 | -179.6 | -148.6 | -172 | -159.7 | -168.2 | 9.8 | 114.1 | E84 W116 K122 T123 | E84-R120 IonicContact OE2-CZ 2.76Å; E84-R120 IonicContact OE2-NH2 2.99Å; E84-R120 PolarHBondContact OE2-NH2 3.2Å; W116-R120 VanDerWaalsContact CH2-CZ 3.4Å; W116-R120 VanDerWaalsContact CH2-NH1 3.32Å; W116-R120 VanDerWaalsContact CZ2-CD 3.42Å; W116-R120 HydrophobicContact CZ2-CG 4.35Å; W116-R120 PolarHBondContact O-N 3.26Å; R120-K122 PolarHBondContact O-N 3.44Å; R120-K122 VanDerWaalsContact O-N 3.15Å; R120-T123 PolarHBondContact O-N 3.01Å; R120-T123 PolarHBondContact O-OG1 2.96Å |
| 121 | T | 52.2 | Low | 64.3 | Low | 115 Ų | 115 | 103 Ų | 103 | 71% | 0.706 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -3.5 | 179.3 | 49.1 | 0 | 0 | 0 | 0 | 114.7 | T119 | T119-T121 VanDerWaalsContact C-N 3.33Å; T119-T121 PolarHBondContact O-N 3.07Å |
| 122 | K | 44.3 | Very low | 62.8 | Low | 187 Ų | 187 | 102 Ų | 102 | 81% | 0.813 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 2.7 | 173.3 | -71.4 | -172.9 | 176.1 | -177.8 | 0 | 113.9 | T119 R120 | T119-K122 PolarHBondContact O-N 3.12Å; R120-K122 PolarHBondContact O-N 3.44Å; R120-K122 VanDerWaalsContact O-N 3.15Å |
| 123 | T | 51.3 | Low | 60.9 | Low | 75 Ų | 75 | 108 Ų | 108 | 46% | 0.46 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -68.7 | 138.7 | 174.3 | 33.1 | 0 | 0 | 0 | 0 | 110.8 | R120 D127 | R120-T123 PolarHBondContact O-N 3.01Å; R120-T123 PolarHBondContact O-OG1 2.96Å; T123-D127 WeakPolarHBondContact CB-OD2 3.35Å |
| 124 | S | 48.2 | Very low | 59.3 | Low | 66 Ų | 66 | 113.9 Ų | 113.9 | 46% | 0.462 | 55% | 0.552 | S | S | . | * | trans | -60.1 | 153.8 | -169.1 | 175.5 | 0 | 0 | 0 | 0 | 111.7 | M126 D127 R128 | S124-M126 PolarHBondContact O-N 2.87Å; S124-M126 PolarHBondContact OG-N 2.95Å; S124-D127 PolarHBondContact N-OD2 3.19Å; S124-D127 WeakPolarHBondContact O-CB 3.32Å; S124-D127 PolarHBondContact O-N 3.46Å; S124-R128 PolarHBondContact O-N 3.49Å | ||
| 125 | V | 49.3 | Very low | 57.8 | Low | 107 Ų | 107 | 115.8 Ų | 115.8 | 65% | 0.648 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -51.7 | -28.8 | 172.1 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | R128 H129 | V125-R128 WeakPolarHBondContact O-CB 3.41Å; V125-R128 PolarHBondContact O-N 2.94Å; V125-H129 PolarHBondContact O-N 3.22Å; V125-H129 PolarHBondContact O-ND1 3.05Å |
| 126 | M | 44.9 | Very low | 56.5 | Low | 148 Ų | 148 | 117.4 Ų | 117.4 | 73% | 0.729 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.4 | -40.8 | 174.6 | -64.7 | 179.4 | 66.6 | 0 | 0 | 113.2 | S124 R128 H129 A130 | S124-M126 PolarHBondContact O-N 2.87Å; S124-M126 PolarHBondContact OG-N 2.95Å; M126-R128 PolarHBondContact O-N 3.16Å; M126-H129 PolarHBondContact O-N 2.9Å; M126-H129 VanDerWaalsContact O-N 3.17Å; M126-A130 PolarHBondContact O-N 3.18Å; M126-A130 VanDerWaalsContact O-N 3.1Å |
| 127 | D | 52.1 | Low | 54.9 | Low | 72 Ų | 72 | 125.2 Ų | 125.2 | 39% | 0.385 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.9 | -27.9 | 177.9 | -68.8 | -42.1 | 0 | 0 | 0 | 111.9 | T123 S124 R131 | T123-D127 WeakPolarHBondContact CB-OD2 3.35Å; S124-D127 PolarHBondContact N-OD2 3.19Å; S124-D127 WeakPolarHBondContact O-CB 3.32Å; S124-D127 PolarHBondContact O-N 3.46Å; D127-R131 WeakPolarHBondContact O-CG 3.44Å; D127-R131 PolarHBondContact O-N 3.34Å |
| 128 | R | 53.9 | Low | 53.6 | Low | 206 Ų | 206 | 125.9 Ų | 125.9 | 78% | 0.777 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71 | -34.7 | 176.8 | -157.2 | 176.9 | -172.8 | -160.8 | -1.6 | 112.1 | S124 V125 M126 K132 | S124-R128 PolarHBondContact O-N 3.49Å; V125-R128 WeakPolarHBondContact O-CB 3.41Å; V125-R128 PolarHBondContact O-N 2.94Å; M126-R128 PolarHBondContact O-N 3.16Å; R128-K132 PolarHBondContact O-N 3.36Å |
| 129 | H | 54.4 | Low | 52.8 | Low | 124 Ų | 124 | 123.7 Ų | 123.7 | 57% | 0.574 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -76.7 | -38.4 | 177 | -69.7 | 72.2 | 0 | 0 | 0 | 111.3 | V125 M126 R131 K132 Q133 | V125-H129 PolarHBondContact O-N 3.22Å; V125-H129 PolarHBondContact O-ND1 3.05Å; M126-H129 PolarHBondContact O-N 2.9Å; M126-H129 VanDerWaalsContact O-N 3.17Å; H129-R131 VanDerWaalsContact C-N 3.31Å; H129-R131 PolarHBondContact O-N 2.85Å; H129-K132 PolarHBondContact O-N 3.36Å; H129-K132 VanDerWaalsContact O-N 3.16Å; H129-Q133 PolarHBondContact O-N 3.2Å |
| 130 | A | 53.3 | Low | 52.1 | Low | 60 Ų | 60 | 122.7 Ų | 122.7 | 50% | 0.496 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.1 | -36.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | M126 K134 | M126-A130 PolarHBondContact O-N 3.18Å; M126-A130 VanDerWaalsContact O-N 3.1Å; A130-K134 PolarHBondContact O-N 2.92Å |
| 131 | R | 60.1 | Low | 51.3 | Low | 132 Ų | 132 | 125.5 Ų | 125.5 | 50% | 0.498 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -75.6 | -28.6 | 175.8 | -66.7 | 179.9 | -166.1 | -148.7 | -0.8 | 113.5 | D127 H129 R135 | D127-R131 WeakPolarHBondContact O-CG 3.44Å; D127-R131 PolarHBondContact O-N 3.34Å; H129-R131 VanDerWaalsContact C-N 3.31Å; H129-R131 PolarHBondContact O-N 2.85Å; R131-R135 PolarHBondContact O-N 3.16Å |
| 132 | K | 55.8 | Low | 50.7 | Low | 131 Ų | 131 | 127 Ų | 127 | 57% | 0.57 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70 | -43.8 | 175 | -166.4 | -178.3 | 179.8 | -157.3 | 0 | 110.5 | R128 H129 K134 R135 E136 | R128-K132 PolarHBondContact O-N 3.36Å; H129-K132 PolarHBondContact O-N 3.36Å; H129-K132 VanDerWaalsContact O-N 3.16Å; K132-K134 VanDerWaalsContact C-N 3.33Å; K132-K134 PolarHBondContact O-N 2.84Å; K132-R135 PolarHBondContact O-N 2.9Å; K132-E136 WeakPolarHBondContact CE-OE1 3.42Å; K132-E136 IonicContact NZ-OE1 2.82Å; K132-E136 WeakPolarHBondContact O-CG 3.25Å; K132-E136 PolarHBondContact O-N 3.48Å |
| 133 | Q | 50.6 | Low | 50.5 | Low | 147 Ų | 147 | 125.7 Ų | 125.7 | 69% | 0.687 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.4 | -30.8 | 178.8 | -142.6 | -179 | 43 | 0 | 0 | 113 | H129 R137 | H129-Q133 PolarHBondContact O-N 3.2Å; Q133-R137 PolarHBondContact O-N 3.45Å |
| 134 | K | 58.1 | Low | 49.9 | Very low | 136 Ų | 136 | 130 Ų | 130 | 59% | 0.591 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.8 | -37.5 | 172.9 | -167.2 | 178.5 | 179 | -167.4 | 0 | 112.3 | A130 K132 R137 E138 | A130-K134 PolarHBondContact O-N 2.92Å; K132-K134 VanDerWaalsContact C-N 3.33Å; K132-K134 PolarHBondContact O-N 2.84Å; K134-R137 PolarHBondContact O-N 3.38Å; K134-E138 WeakPolarHBondContact CE-OE1 3.47Å; K134-E138 IonicContact NZ-OE1 3.61Å; K134-E138 PolarHBondContact O-N 2.89Å |
| 135 | R | 55.4 | Low | 49.6 | Very low | 194 Ų | 194 | 135.7 Ų | 135.7 | 73% | 0.732 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.9 | -42.2 | 175.6 | -118.7 | 178.5 | 180 | -167.2 | -5.4 | 112.2 | R131 K132 R137 E138 E139 | R131-R135 PolarHBondContact O-N 3.16Å; K132-R135 PolarHBondContact O-N 2.9Å; R135-R137 PolarHBondContact O-N 3.4Å; R135-E138 PolarHBondContact O-N 3.29Å; R135-E139 WeakPolarHBondContact O-CB 3.47Å; R135-E139 PolarHBondContact O-N 3.01Å |
| 136 | E | 52.4 | Low | 48.7 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 46% | 0.463 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -65.4 | -23.4 | 177 | -73 | 169.2 | -179.4 | 0 | 0 | 112.7 | K132 S140 | K132-E136 WeakPolarHBondContact CE-OE1 3.42Å; K132-E136 IonicContact NZ-OE1 2.82Å; K132-E136 WeakPolarHBondContact O-CG 3.25Å; K132-E136 PolarHBondContact O-N 3.48Å; E136-S140 PolarHBondContact O-OG 3.43Å |
| 137 | R | 52.4 | Low | 48.1 | Very low | 187 Ų | 187 | 138.9 Ų | 138.9 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -85 | -31.2 | 176.6 | -163.8 | 176.9 | -175.2 | -166.8 | 0.5 | 113.5 | Q133 K134 R135 S140 | Q133-R137 PolarHBondContact O-N 3.45Å; K134-R137 PolarHBondContact O-N 3.38Å; R135-R137 PolarHBondContact O-N 3.4Å; R137-S140 PolarHBondContact O-OG 2.99Å |
| 138 | E | 52.4 | Low | 46.9 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 53% | 0.528 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -78.5 | -33.3 | 175.2 | -71.5 | 172.2 | -177.1 | 0 | 0 | 110.9 | K134 R135 S140 | K134-E138 WeakPolarHBondContact CE-OE1 3.47Å; K134-E138 IonicContact NZ-OE1 3.61Å; K134-E138 PolarHBondContact O-N 2.89Å; R135-E138 PolarHBondContact O-N 3.29Å; E138-S140 VanDerWaalsContact C-N 3.32Å; E138-S140 PolarHBondContact O-N 2.87Å |
| 139 | E | 48 | Very low | 45.7 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 58% | 0.575 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -72.1 | -24 | 176.8 | -161.8 | 164.4 | -151.3 | 0 | 0 | 112.6 | R135 | R135-E139 WeakPolarHBondContact O-CB 3.47Å; R135-E139 PolarHBondContact O-N 3.01Å |
| 140 | S | 44 | Very low | 44.5 | Very low | 75 Ų | 75 | 138.3 Ų | 138.3 | 52% | 0.524 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.7 | -11 | 177.5 | 57.7 | 0 | 0 | 0 | 0 | 115.6 | E136 R137 E138 | E136-S140 PolarHBondContact O-OG 3.43Å; R137-S140 PolarHBondContact O-OG 2.99Å; E138-S140 VanDerWaalsContact C-N 3.32Å; E138-S140 PolarHBondContact O-N 2.87Å |
| 141 | E | 44 | Very low | 43.7 | Very low | 138 Ų | 138 | 142.3 Ų | 142.3 | 65% | 0.645 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -20.3 | 177.8 | -74.4 | -176.3 | 169 | 0 | 0 | 112.8 | ||
| 142 | D | 40.7 | Very low | 42.8 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -94.9 | -8.5 | -177.7 | -79.2 | -23.9 | 0 | 0 | 0 | 114.3 | ||
| 143 | E | 38.2 | Very low | 41.7 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 9.1 | -174.4 | -78.7 | -165.8 | 160.7 | 0 | 0 | 115.9 | ||
| 144 | M | 40.5 | Very low | 40.6 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 12 | -179.2 | 48.8 | -178 | -161.5 | 0 | 0 | 116.4 | ||
| 145 | E | 40.2 | Very low | 39.5 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -132.6 | 78.8 | 165.2 | -78.1 | -170.2 | 159.6 | 0 | 0 | 111.7 | ||
| 146 | E | 32.3 | Very low | 38.4 | Very low | 194 Ų | 194 | 139 Ų | 139 | 91% | 0.907 | 72% | 0.719 | S | S | * | * | -176.2 | 145.7 | 127.1 | -103.5 | -171.7 | 173.3 | 0 | 0 | 112.5 | |||||
| 147 | T | 30.4 | Very low | 37.3 | Very low | 128 Ų | 128 | 141 Ų | 141 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | -75.6 | 136.1 | -163 | 50.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 148 | N | 28.5 | Very low | 36.2 | Very low | 168 Ų | 168 | 141 Ų | 141 | 90% | 0.898 | 75% | 0.745 | S | S | * | * | 61 | 113 | 120.9 | -152.7 | 37.7 | 0 | 0 | 0 | 120.7 | |||||
| 149 | G | 28.2 | Very low | 35.1 | Very low | 73 Ų | 73 | 144.9 Ų | 144.9 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | trans | 158.7 | 94.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 150 | N | 29.6 | Very low | 34.1 | Very low | 149 Ų | 149 | 147 Ų | 147 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -31.7 | 151.6 | 162.8 | -72.9 | -16.4 | 0 | 0 | 0 | 115.6 | ||||
| 151 | N | 35 | Very low | 33.4 | Very low | 144 Ų | 144 | 152.6 Ų | 152.6 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | cis | -174.1 | -176.5 | 28.6 | -122.1 | -10.5 | 0 | 0 | 0 | 110 | ||||
| 152 | P | 41.7 | Very low | 32.5 | Very low | 101 Ų | 101 | 155.4 Ų | 155.4 | 66% | 0.656 | 81% | 0.807 | S | S | * | * | trans | -125.1 | -166 | -132.1 | 39.6 | -19.5 | 0 | 0 | 0 | 117.8 | ||||
| 153 | I | 32.4 | Very low | 31.9 | Very low | 151 Ų | 151 | 153.7 Ų | 153.7 | 77% | 0.774 | 81% | 0.806 | S | S | * | * | trans | 97.5 | 136.7 | 162.3 | -77 | 151.2 | 0 | 0 | 0 | 117.2 | ||||
| 154 | D | 28.1 | Very low | 31.4 | Very low | 121 Ų | 121 | 155.9 Ų | 155.9 | 65% | 0.647 | 81% | 0.813 | S | S | * | * | cis | -160.5 | 137 | 9.6 | -127.7 | -3.9 | 0 | 0 | 0 | 108.7 | ||||
| 155 | I | 34.6 | Very low | 30.8 | Very low | 130 Ų | 130 | 156.6 Ų | 156.6 | 67% | 0.667 | 81% | 0.812 | S | S | * | * | 58.9 | 129.5 | 100.1 | -64.6 | -172.3 | 0 | 0 | 0 | 114.3 | |||||
| 156 | E | 32 | Very low | 30.1 | Very low | 168 Ų | 168 | 155.7 Ų | 155.7 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | cis | -170.7 | 167.5 | 14.7 | -115.3 | 166.1 | -161.3 | 0 | 0 | 109.8 | ||||
| 157 | V | 29.8 | Very low | 30 | Very low | 142 Ų | 142 | 152.7 Ų | 152.7 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | 146.1 | 133.9 | 132.7 | 174.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 158 | E | 29.4 | Very low | 30.4 | Very low | 186 Ų | 186 | 151.9 Ų | 151.9 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -79.2 | 161.1 | -152.2 | -62.5 | 176.9 | 124.5 | 0 | 0 | 118.8 | ||||
| 159 | Q | 29.8 | Very low | 31.1 | Very low | 194 Ų | 194 | 149.4 Ų | 149.4 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | trans | -86.2 | 141.9 | 165.6 | -67.3 | 172.8 | -2.9 | 0 | 0 | 111.4 | ||||
| 160 | N | 25.8 | Very low | 31.2 | Very low | 169 Ų | 169 | 150.2 Ų | 150.2 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | -134.7 | 135.4 | 155.1 | -155 | 2.7 | 0 | 0 | 0 | 111.2 | ||||
| 161 | K | 30.1 | Very low | 31.1 | Very low | 191 Ų | 191 | 151.5 Ų | 151.5 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | -128.7 | 120.6 | -171.1 | -173.9 | -179.2 | -175 | 175.6 | 0 | 108.8 | ||||
| 162 | E | 25.5 | Very low | 30.8 | Very low | 197 Ų | 197 | 151.5 Ų | 151.5 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -115.5 | 136 | 175.3 | -140.5 | 178.7 | 178 | 0 | 0 | 109.9 | ||||
| 163 | S | 28.3 | Very low | 30.2 | Very low | 112 Ų | 112 | 154.6 Ų | 154.6 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -139.9 | 122.9 | 172.6 | 41.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 164 | K | 27.6 | Very low | 30.5 | Very low | 205 Ų | 205 | 152.4 Ų | 152.4 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | -72.2 | 150.4 | 170.3 | -78.3 | 175.1 | 169.8 | 174.8 | 0 | 113.1 | ||||
| 165 | K | 27.3 | Very low | 30.8 | Very low | 180 Ų | 180 | 156.2 Ų | 156.2 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | 140.3 | 119.2 | 133.6 | -92.1 | -171.6 | 160 | 179.5 | 0 | 111.4 | ||||
| 166 | E | 25.3 | Very low | 30.5 | Very low | 166 Ų | 166 | 156.2 Ų | 156.2 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | 79.3 | 123.4 | 72 | -157 | 177.1 | -143.9 | 0 | 0 | 112.4 | |||||
| 167 | V | 30.8 | Very low | 30.5 | Very low | 131 Ų | 131 | 158.3 Ų | 158.3 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | trans | -136.8 | 144.9 | -174.8 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 168 | P | 38.4 | Very low | 30.8 | Very low | 111 Ų | 111 | 161.2 Ų | 161.2 | 72% | 0.721 | 83% | 0.832 | S | S | * | * | trans | -144.7 | -174.7 | 134 | 37.4 | -20.6 | 0 | 0 | 0 | 112.9 | ||||
| 169 | P | 43.2 | Very low | 30.9 | Very low | 117 Ų | 117 | 162 Ų | 162 | 76% | 0.76 | 84% | 0.835 | S | S | * | * | cis | -137.7 | 175 | -39 | 34.2 | -15.3 | 0 | 0 | 0 | 115.9 | ||||
| 170 | A | 30.1 | Very low | 31.1 | Very low | 89 Ų | 89 | 162 Ų | 162 | 74% | 0.736 | 83% | 0.832 | S | S | * | * | trans | 62.4 | 147.2 | 148.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 171 | E | 27.7 | Very low | 31.4 | Very low | 176 Ų | 176 | 162.3 Ų | 162.3 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | cis | -169.4 | 174.2 | 3.4 | -120.6 | 175.1 | -163.7 | 0 | 0 | 109.5 | ||||
| 172 | T | 29.2 | Very low | 31.5 | Very low | 144 Ų | 144 | 157.7 Ų | 157.7 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | 107.2 | 121.8 | 165.6 | 69.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 173 | L | 30 | Very low | 31.9 | Very low | 166 Ų | 166 | 153.7 Ų | 153.7 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -104.7 | -174.6 | 176.6 | -79.2 | 164 | 0 | 0 | 0 | 109.1 | ||||
| 174 | P | 38.7 | Very low | 32.6 | Very low | 105 Ų | 105 | 157.6 Ų | 157.6 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | cis | -134.1 | 159.7 | -45 | 34.2 | -18.2 | 0 | 0 | 0 | 112.7 | ||||
| 175 | Q | 33.3 | Very low | 33.3 | Very low | 202 Ų | 202 | 152.4 Ų | 152.4 | 94% | 0.944 | 81% | 0.81 | S | S | * | * | trans | -145.9 | 141 | 152.1 | -82.1 | -161.8 | -7.8 | 0 | 0 | 113.8 | ||||
| 176 | V | 29.4 | Very low | 34.3 | Very low | 130 Ų | 130 | 153.1 Ų | 153.1 | 79% | 0.788 | 81% | 0.814 | S | S | * | * | trans | -85.9 | 139.8 | -171.9 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 177 | K | 31.9 | Very low | 35.4 | Very low | 212 Ų | 212 | 153.3 Ų | 153.3 | 92% | 0.922 | 82% | 0.82 | S | S | * | * | trans | -159.2 | 124.4 | 142.8 | -104.7 | 172.5 | -170.1 | -174.4 | 0 | 110.4 | ||||
| 178 | K | 34.7 | Very low | 36.3 | Very low | 203 Ų | 203 | 159 Ų | 159 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -84.8 | 135.9 | 172.7 | -93 | 177.3 | 171.8 | 170.5 | 0 | 109.1 | ||||
| 179 | E | 31.6 | Very low | 37 | Very low | 202 Ų | 202 | 158.3 Ų | 158.3 | 94% | 0.944 | 83% | 0.831 | S | S | * | * | trans | -154.5 | 144.7 | 143 | -123.8 | 176 | 166.6 | 0 | 0 | 111.3 | ||||
| 180 | K | 34.2 | Very low | 37.8 | Very low | 193 Ų | 193 | 161 Ų | 161 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | trans | -100.5 | 137.3 | -166.7 | -74.4 | 176.2 | 172.3 | 179.8 | 0 | 111.8 | ||||
| 181 | H | 33.2 | Very low | 39.6 | Very low | 176 Ų | 176 | 169.2 Ų | 169.2 | 82% | 0.815 | 84% | 0.842 | S | S | * | * | 166.4 | 114.4 | 124.3 | -101.6 | -67.2 | 0 | 0 | 0 | 107.9 | |||||
| 182 | S | 30.7 | Very low | 42.1 | Very low | 94 Ų | 94 | 168.8 Ų | 168.8 | 66% | 0.657 | 84% | 0.838 | S | S | * | * | 50.4 | 108.9 | 89.2 | -155.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 183 | T | 35.3 | Very low | 45 | Very low | 114 Ų | 114 | 164.7 Ų | 164.7 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | -168.5 | 150.5 | 57 | 35.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 184 | Q | 42.9 | Very low | 48 | Very low | 193 Ų | 193 | 161.3 Ų | 161.3 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | 73.9 | 135.2 | 151.6 | -99 | 165.7 | -7 | 0 | 0 | 120.8 | ||||
| 185 | A | 42.1 | Very low | 50.6 | Low | 97 Ų | 97 | 166.8 Ų | 166.8 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | 86.3 | 43.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 186 | K | 48.7 | Very low | 53.4 | Low | 195 Ų | 195 | 160.1 Ų | 160.1 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -145.7 | 77.2 | 167.3 | -65.7 | -174.5 | -177.1 | 174.5 | 0 | 113.5 | ||||
| 187 | N | 46.6 | Very low | 56.5 | Low | 170 Ų | 170 | 158.9 Ų | 158.9 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | -141.1 | 53.4 | 172.7 | -89.5 | -35.7 | 0 | 0 | 0 | 113.1 | ||||
| 188 | R | 49.8 | Very low | 59.5 | Low | 249 Ų | 249 | 157.4 Ų | 157.4 | 94% | 0.94 | 78% | 0.781 | S | S | * | * | trans | -134.4 | 25.5 | 164.9 | -103.4 | -178.7 | 171 | -174.5 | -3.1 | 112.4 | K190 | R188-K190 VanDerWaalsContact C-N 3.29Å; R188-K190 PolarHBondContact O-N 3.41Å | ||
| 189 | A | 53.2 | Low | 62.3 | Low | 97 Ų | 97 | 153.2 Ų | 153.2 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -73.1 | 86.5 | 171 | 0 | 0 | 0 | 0 | 0 | 109.6 | R191 | A189-R191 PolarHBondContact O-N 2.96Š|
| 190 | K | 60 | Low | 65.3 | Low | 174 Ų | 174 | 145.6 Ų | 145.6 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | trans | 37.4 | 85.4 | 147 | -57.4 | 180 | -176.2 | 177.7 | 0 | 114.8 | R188 K192 | R188-K190 VanDerWaalsContact C-N 3.29Å; R188-K190 PolarHBondContact O-N 3.41Å; K190-K192 HydrophobicContact CB-CG 4.46Å; K190-K192 PolarHBondContact O-N 3.37Å | ||
| 191 | R | 68.6 | Low | 68.2 | Low | 261 Ų | 261 | 142.7 Ų | 142.7 | 99% | 0.985 | 73% | 0.727 | S | S | * | * | trans | -62.4 | 70.3 | 165.4 | -63.4 | -178.9 | 175.4 | -154.1 | -1.1 | 110.7 | A189 | A189-R191 PolarHBondContact O-N 2.96Š| ||
| 192 | K | 80.6 | Confident | 71.2 | Confident | 167 Ų | 167 | 141.5 Ų | 141.5 | 73% | 0.726 | 72% | 0.721 | S | S | * | * | trans | -104.9 | 139.2 | 173.1 | -67.4 | -172 | 177.5 | -167.4 | 0 | 108.3 | K190 | K190-K192 HydrophobicContact CB-CG 4.46Å; K190-K192 PolarHBondContact O-N 3.37Å | ||
| 193 | P | 89.6 | Confident | 74.3 | Confident | 58 Ų | 58 | 141.3 Ų | 141.3 | 38% | 0.377 | 71% | 0.713 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 157.4 | 174.9 | 19.4 | -27.2 | 0 | 0 | 0 | 111.1 | M197 L199 | P193-M197 HydrophobicContact CB-CB 4.38Å; P193-L199 HydrophobicContact CB-CB 4.45Å; P193-L199 HydrophobicContact CB-CD1 4.23Å; P193-L199 HydrophobicContact CB-CG 4.47Å |
| 194 | P | 94.1 | Very high | 77.2 | Confident | 96 Ų | 96 | 139.3 Ų | 139.3 | 62% | 0.623 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 152 | 176.3 | -26.1 | 34.8 | 0 | 0 | 0 | 112.1 | G196 M197 | P194-G196 PolarHBondContact O-N 3.15Å; P194-M197 HydrophobicContact CB-CB 4.34Å; P194-M197 WeakPolarHBondContact O-CB 3.24Å; P194-M197 PolarHBondContact O-N 2.94Å |
| 195 | K | 92 | Very high | 79.8 | Confident | 219 Ų | 219 | 135.4 Ų | 135.4 | 95% | 0.952 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | 128.1 | 178.7 | -173.5 | 70.1 | 175.7 | -179.1 | 0 | 109.9 | M197 | K195-M197 VanDerWaalsContact C-N 3.3Š|
| 196 | G | 92.8 | Very high | 82.4 | Confident | 63 Ų | 63 | 133 Ų | 133 | 65% | 0.649 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.7 | -0.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P194 | P194-G196 PolarHBondContact O-N 3.15Š|
| 197 | M | 94.5 | Very high | 84.7 | Confident | 104 Ų | 104 | 126.8 Ų | 126.8 | 51% | 0.512 | 64% | 0.641 | S | S | . | * | trans | -104.4 | 127.1 | 172.6 | -168.8 | 63 | 67.1 | 0 | 0 | 109.9 | P193 P194 K195 L199 | P193-M197 HydrophobicContact CB-CB 4.38Å; P194-M197 HydrophobicContact CB-CB 4.34Å; P194-M197 WeakPolarHBondContact O-CB 3.24Å; P194-M197 PolarHBondContact O-N 2.94Å; K195-M197 VanDerWaalsContact C-N 3.3Å; M197-L199 HydrophobicContact CG-CD1 4.1Å; M197-L199 HydrophobicContact CG-CG 4Å | ||
| 198 | F | 93.8 | Very high | 87.1 | Confident | 180 Ų | 180 | 122.7 Ų | 122.7 | 79% | 0.789 | 63% | 0.625 | S | S | * | * | trans | -110.8 | 113.2 | 179.7 | -60.6 | -91.5 | 0 | 0 | 0 | 108.1 | ||||
| 199 | L | 94.5 | Very high | 89.3 | Confident | 115 Ų | 115 | 114.4 Ų | 114.4 | 60% | 0.602 | 61% | 0.61 | S | S | * | * | trans | -131.9 | 109.5 | 177.4 | -62.9 | 172.5 | 0 | 0 | 0 | 106.9 | P193 M197 | P193-L199 HydrophobicContact CB-CB 4.45Å; P193-L199 HydrophobicContact CB-CD1 4.23Å; P193-L199 HydrophobicContact CB-CG 4.47Å; M197-L199 HydrophobicContact CG-CD1 4.1Å; M197-L199 HydrophobicContact CG-CG 4Å | ||
| 200 | S | 94.7 | Very high | 91.4 | Very high | 42 Ų | 42 | 114 Ų | 114 | 29% | 0.294 | 60% | 0.595 | S | S | . | * | trans | -113.1 | 154.5 | 172 | 83.5 | 0 | 0 | 0 | 0 | 109.5 | E202 D203 V204 | S200-E202 VanDerWaalsContact C-N 3.3Å; S200-E202 PolarHBondContact O-N 2.92Å; S200-D203 WeakPolarHBondContact CB-OD2 3.35Å; S200-D203 WeakPolarHBondContact OG-CB 3.34Å; S200-D203 PolarHBondContact OG-N 3.42Å; S200-D203 PolarHBondContact OG-OD2 3.27Å; S200-V204 VanDerWaalsContact O-CG2 3.25Å; S200-V204 WeakPolarHBondContact O-CG2 3.44Å; S200-V204 PolarHBondContact O-N 2.93Å | ||
| 201 | Q | 94.4 | Very high | 93.1 | Very high | 133 Ų | 133 | 111.1 Ų | 111.1 | 62% | 0.621 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.1 | -42.6 | 178.1 | -177 | 64.4 | 18.4 | 0 | 0 | 111 | V204 E205 | Q201-V204 PolarHBondContact O-N 3.42Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.3Å; Q201-E205 PolarHBondContact NE2-OE1 2.97Å; Q201-E205 WeakPolarHBondContact O-CG 3.45Å; Q201-E205 PolarHBondContact O-N 3.26Å |
| 202 | E | 96.7 | Very high | 94.5 | Very high | 150 Ų | 150 | 102.6 Ų | 102.6 | 70% | 0.701 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.1 | -48 | 179 | -177.6 | 179.9 | -177.1 | 0 | 0 | 112.2 | S200 V204 E205 A206 | S200-E202 VanDerWaalsContact C-N 3.3Å; S200-E202 PolarHBondContact O-N 2.92Å; E202-V204 VanDerWaalsContact C-N 3.32Å; E202-V204 PolarHBondContact O-N 2.94Å; E202-E205 PolarHBondContact O-N 3.05Å; E202-A206 VanDerWaalsContact O-CB 3.31Å; E202-A206 WeakPolarHBondContact O-CB 3.31Å; E202-A206 PolarHBondContact O-N 3.34Å |
| 203 | D | 96.4 | Very high | 95.3 | Very high | 91 Ų | 91 | 95 Ų | 95 | 49% | 0.487 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | -179.7 | -63.5 | -42.4 | 0 | 0 | 0 | 111.6 | S200 A206 V207 | S200-D203 WeakPolarHBondContact CB-OD2 3.35Å; S200-D203 WeakPolarHBondContact OG-CB 3.34Å; S200-D203 PolarHBondContact OG-N 3.42Å; S200-D203 PolarHBondContact OG-OD2 3.27Å; D203-A206 PolarHBondContact O-N 3.31Å; D203-V207 WeakPolarHBondContact O-CB 3.43Å; D203-V207 WeakPolarHBondContact O-CG2 3.35Å; D203-V207 PolarHBondContact O-N 3.12Å |
| 204 | V | 95.6 | Very high | 95.6 | Very high | 72 Ų | 72 | 94 Ų | 94 | 44% | 0.436 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 178.3 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | S200 Q201 E202 S208 | S200-V204 VanDerWaalsContact O-CG2 3.25Å; S200-V204 WeakPolarHBondContact O-CG2 3.44Å; S200-V204 PolarHBondContact O-N 2.93Å; Q201-V204 PolarHBondContact O-N 3.42Å; E202-V204 VanDerWaalsContact C-N 3.32Å; E202-V204 PolarHBondContact O-N 2.94Å; V204-S208 VanDerWaalsContact O-CB 3.27Å; V204-S208 WeakPolarHBondContact O-CB 3.44Å; V204-S208 PolarHBondContact O-N 3.29Å; V204-S208 VanDerWaalsContact O-N 3.07Å; V204-S208 PolarHBondContact O-OG 3.24Å |
| 205 | E | 96.9 | Very high | 95.7 | Very high | 110 Ų | 110 | 92.6 Ų | 92.6 | 51% | 0.514 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 175.5 | -73.3 | 174.1 | -173.8 | 0 | 0 | 111.4 | Q201 E202 V207 S208 A209 | Q201-E205 WeakPolarHBondContact CG-OE1 3.3Å; Q201-E205 PolarHBondContact NE2-OE1 2.97Å; Q201-E205 WeakPolarHBondContact O-CG 3.45Å; Q201-E205 PolarHBondContact O-N 3.26Å; E202-E205 PolarHBondContact O-N 3.05Å; E205-V207 PolarHBondContact O-N 3.43Å; E205-S208 PolarHBondContact O-N 3.31Å; E205-A209 PolarHBondContact O-N 2.96Å |
| 206 | A | 96.4 | Very high | 96 | Very high | 46 Ų | 46 | 85.9 Ų | 85.9 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E202 D203 A213 | E202-A206 VanDerWaalsContact O-CB 3.31Å; E202-A206 WeakPolarHBondContact O-CB 3.31Å; E202-A206 PolarHBondContact O-N 3.34Å; D203-A206 PolarHBondContact O-N 3.31Å; A206-A213 WeakPolarHBondContact O-CB 3.35Å |
| 207 | V | 97.3 | Very high | 96.2 | Very high | 66 Ų | 66 | 85.6 Ų | 85.6 | 40% | 0.4 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -77 | -29.2 | -178.3 | 172.3 | 0 | 0 | 0 | 0 | 112.2 | D203 E205 A214 | D203-V207 WeakPolarHBondContact O-CB 3.43Å; D203-V207 WeakPolarHBondContact O-CG2 3.35Å; D203-V207 PolarHBondContact O-N 3.12Å; E205-V207 PolarHBondContact O-N 3.43Å; V207-A214 HydrophobicContact CG1-CB 3.65Å; V207-A214 PolarHBondContact O-N 2.94Å |
| 208 | S | 96.9 | Very high | 96.4 | Very high | 84 Ų | 84 | 85.8 Ų | 85.8 | 59% | 0.587 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -93.9 | -3.7 | -178.9 | 65.3 | 0 | 0 | 0 | 0 | 114.9 | V204 E205 N210 | V204-S208 VanDerWaalsContact O-CB 3.27Å; V204-S208 WeakPolarHBondContact O-CB 3.44Å; V204-S208 PolarHBondContact O-N 3.29Å; V204-S208 VanDerWaalsContact O-N 3.07Å; V204-S208 PolarHBondContact O-OG 3.24Å; E205-S208 PolarHBondContact O-N 3.31Å; S208-N210 PolarHBondContact O-N 3.45Å; S208-N210 VanDerWaalsContact O-N 3.11Å |
| 209 | A | 96.6 | Very high | 96.6 | Very high | 74 Ų | 74 | 84.6 Ų | 84.6 | 61% | 0.612 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -55.6 | -31.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E205 A213 | E205-A209 PolarHBondContact O-N 2.96Å; A209-A213 HydrophobicContact CB-CB 4.31Å |
| 210 | N | 96.5 | Very high | 96.7 | Very high | 90 Ų | 90 | 83.9 Ų | 83.9 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -159.3 | 172.5 | 173.4 | 61.4 | 68.2 | 0 | 0 | 0 | 111.6 | S208 T212 A213 | S208-N210 PolarHBondContact O-N 3.45Å; S208-N210 VanDerWaalsContact O-N 3.11Å; N210-T212 PolarHBondContact O-N 3.27Å; N210-T212 VanDerWaalsContact O-N 3.07Å; N210-T212 PolarHBondContact OD1-N 3.43Å; N210-T212 PolarHBondContact OD1-OG1 3.47Å; N210-A213 WeakPolarHBondContact O-CB 3.31Å; N210-A213 PolarHBondContact O-N 3.46Å; N210-A213 VanDerWaalsContact O-N 3.14Å; N210-A213 PolarHBondContact OD1-N 2.93Å |
| 211 | A | 96.8 | Very high | 96.9 | Very high | 112 Ų | 112 | 86.9 Ų | 86.9 | 93% | 0.926 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 212 | T | 97.3 | Very high | 97.1 | Very high | 83 Ų | 83 | 85.3 Ų | 85.3 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -5.7 | -177.8 | 49.5 | 0 | 0 | 0 | 0 | 114 | N210 A214 T215 T216 | N210-T212 PolarHBondContact O-N 3.27Å; N210-T212 VanDerWaalsContact O-N 3.07Å; N210-T212 PolarHBondContact OD1-N 3.43Å; N210-T212 PolarHBondContact OD1-OG1 3.47Å; T212-A214 PolarHBondContact O-N 3.5Å; T212-T215 PolarHBondContact O-N 2.98Å; T212-T215 VanDerWaalsContact O-N 3.14Å; T212-T215 PolarHBondContact O-OG1 2.9Å; T212-T216 PolarHBondContact O-N 3.08Å; T212-T216 PolarHBondContact O-OG1 3.34Å |
| 213 | A | 96.9 | Very high | 97.2 | Very high | 7 Ų | 7 | 84.2 Ų | 84.2 | 6% | 0.058 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -58.8 | -46.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A206 A209 N210 T215 T216 V217 | A206-A213 WeakPolarHBondContact O-CB 3.35Å; A209-A213 HydrophobicContact CB-CB 4.31Å; N210-A213 WeakPolarHBondContact O-CB 3.31Å; N210-A213 PolarHBondContact O-N 3.46Å; N210-A213 VanDerWaalsContact O-N 3.14Å; N210-A213 PolarHBondContact OD1-N 2.93Å; A213-T215 PolarHBondContact O-N 3.25Å; A213-T216 WeakPolarHBondContact O-CB 3.48Å; A213-T216 PolarHBondContact O-N 3.2Å; A213-V217 WeakPolarHBondContact O-CG2 3.33Å; A213-V217 PolarHBondContact O-N 2.93Å |
| 214 | A | 96.3 | Very high | 97.3 | Very high | 38 Ų | 38 | 84.3 Ų | 84.3 | 31% | 0.314 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -52.1 | -50.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V207 T212 T216 L218 | V207-A214 HydrophobicContact CG1-CB 3.65Å; V207-A214 PolarHBondContact O-N 2.94Å; T212-A214 PolarHBondContact O-N 3.5Å; A214-T216 VanDerWaalsContact C-N 3.27Å; A214-T216 PolarHBondContact O-N 3.29Å; A214-L218 WeakPolarHBondContact O-CG 3.42Å; A214-L218 PolarHBondContact O-N 3.24Å; A214-L218 VanDerWaalsContact O-N 3.16Å |
| 215 | T | 97.3 | Very high | 97.4 | Very high | 65 Ų | 65 | 84.9 Ų | 84.9 | 40% | 0.399 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.2 | -25.9 | -179.6 | 66.6 | 0 | 0 | 0 | 0 | 113 | T212 A213 R219 | T212-T215 PolarHBondContact O-N 2.98Å; T212-T215 VanDerWaalsContact O-N 3.14Å; T212-T215 PolarHBondContact O-OG1 2.9Å; A213-T215 PolarHBondContact O-N 3.25Å; T215-R219 WeakPolarHBondContact O-CB 3.33Å; T215-R219 WeakPolarHBondContact O-CG 3.48Å; T215-R219 PolarHBondContact O-N 3.22Å; T215-R219 VanDerWaalsContact O-N 3.12Å; T215-R219 PolarHBondContact OG1-NH1 3.12Å |
| 216 | T | 97.7 | Very high | 97.5 | Very high | 79 Ų | 79 | 83.8 Ų | 83.8 | 49% | 0.485 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -73.1 | -47.8 | 178.1 | -56.6 | 0 | 0 | 0 | 0 | 110.5 | T212 A213 A214 L218 R219 Q220 | T212-T216 PolarHBondContact O-N 3.08Å; T212-T216 PolarHBondContact O-OG1 3.34Å; A213-T216 WeakPolarHBondContact O-CB 3.48Å; A213-T216 PolarHBondContact O-N 3.2Å; A214-T216 VanDerWaalsContact C-N 3.27Å; A214-T216 PolarHBondContact O-N 3.29Å; T216-L218 VanDerWaalsContact C-N 3.34Å; T216-L218 PolarHBondContact O-N 2.93Å; T216-R219 PolarHBondContact O-N 2.92Å; T216-Q220 PolarHBondContact O-N 3.23Å |
| 217 | V | 97.6 | Very high | 97.6 | Very high | 57 Ų | 57 | 83.6 Ų | 83.6 | 35% | 0.345 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 176.6 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | A213 Q220 L221 | A213-V217 WeakPolarHBondContact O-CG2 3.33Å; A213-V217 PolarHBondContact O-N 2.93Å; V217-Q220 PolarHBondContact O-N 3.47Å; V217-L221 HydrophobicContact CG1-CD1 4.26Å; V217-L221 WeakPolarHBondContact O-CG 3.22Å; V217-L221 PolarHBondContact O-N 2.87Å |
| 218 | L | 97.6 | Very high | 97.6 | Very high | 108 Ų | 108 | 84.5 Ų | 84.5 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.9 | -44.8 | 178.4 | -67.7 | 174.9 | 0 | 0 | 0 | 112.4 | A214 T216 Q220 L221 D222 | A214-L218 WeakPolarHBondContact O-CG 3.42Å; A214-L218 PolarHBondContact O-N 3.24Å; A214-L218 VanDerWaalsContact O-N 3.16Å; T216-L218 VanDerWaalsContact C-N 3.34Å; T216-L218 PolarHBondContact O-N 2.93Å; L218-Q220 VanDerWaalsContact C-N 3.33Å; L218-Q220 PolarHBondContact O-N 3.31Å; L218-L221 PolarHBondContact O-N 3.39Å; L218-D222 PolarHBondContact O-N 3.49Å |
| 219 | R | 97.9 | Very high | 97.7 | Very high | 155 Ų | 155 | 86.1 Ų | 86.1 | 59% | 0.585 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.6 | -38.6 | 176.3 | -78.1 | -173.1 | -175.4 | 101.5 | -2.5 | 112.6 | T215 T216 D222 M223 | T215-R219 WeakPolarHBondContact O-CB 3.33Å; T215-R219 WeakPolarHBondContact O-CG 3.48Å; T215-R219 PolarHBondContact O-N 3.22Å; T215-R219 VanDerWaalsContact O-N 3.12Å; T215-R219 PolarHBondContact OG1-NH1 3.12Å; T216-R219 PolarHBondContact O-N 2.92Å; R219-D222 PolarHBondContact O-N 3.14Å; R219-M223 WeakPolarHBondContact O-CG 3.43Å; R219-M223 PolarHBondContact O-N 3.42Å |
| 220 | Q | 98.1 | Very high | 97.8 | Very high | 99 Ų | 99 | 89.1 Ų | 89.1 | 46% | 0.463 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 176.2 | -174.2 | 62.2 | 45.4 | 0 | 0 | 111 | T216 V217 L218 D222 M223 E224 | T216-Q220 PolarHBondContact O-N 3.23Å; V217-Q220 PolarHBondContact O-N 3.47Å; L218-Q220 VanDerWaalsContact C-N 3.33Å; L218-Q220 PolarHBondContact O-N 3.31Å; Q220-D222 VanDerWaalsContact C-N 3.33Å; Q220-D222 PolarHBondContact O-N 3.29Å; Q220-M223 PolarHBondContact O-N 2.99Å; Q220-E224 PolarHBondContact NE2-OE1 3.48Å; Q220-E224 WeakPolarHBondContact O-CG 3.19Å; Q220-E224 PolarHBondContact O-N 2.72Å |
| 221 | L | 98.1 | Very high | 97.9 | Very high | 105 Ų | 105 | 90.2 Ų | 90.2 | 55% | 0.55 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.4 | -37.6 | 176.4 | -68 | 175.1 | 0 | 0 | 0 | 112.3 | V217 L218 E224 L225 | V217-L221 HydrophobicContact CG1-CD1 4.26Å; V217-L221 WeakPolarHBondContact O-CG 3.22Å; V217-L221 PolarHBondContact O-N 2.87Å; L218-L221 PolarHBondContact O-N 3.39Å; L221-E224 PolarHBondContact O-N 3.44Å; L221-L225 WeakPolarHBondContact O-CB 3.11Å; L221-L225 PolarHBondContact O-N 3.34Å |
| 222 | D | 98.4 | Very high | 98 | Very high | 101 Ų | 101 | 89.3 Ų | 89.3 | 54% | 0.54 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 173.6 | -75.6 | -28.5 | 0 | 0 | 0 | 111.7 | L218 R219 Q220 L225 V226 | L218-D222 PolarHBondContact O-N 3.49Å; R219-D222 PolarHBondContact O-N 3.14Å; Q220-D222 VanDerWaalsContact C-N 3.33Å; Q220-D222 PolarHBondContact O-N 3.29Å; D222-L225 PolarHBondContact O-N 3.01Å; D222-V226 WeakPolarHBondContact O-CG2 3.34Å; D222-V226 PolarHBondContact O-N 3.4Å |
| 223 | M | 98.1 | Very high | 98.1 | Very high | 126 Ų | 126 | 90.6 Ų | 90.6 | 62% | 0.621 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 175.7 | -71.9 | -178.4 | 67.6 | 0 | 0 | 112.1 | R219 Q220 L225 V226 S227 | R219-M223 WeakPolarHBondContact O-CG 3.43Å; R219-M223 PolarHBondContact O-N 3.42Å; Q220-M223 PolarHBondContact O-N 2.99Å; M223-L225 VanDerWaalsContact C-N 3.33Å; M223-L225 PolarHBondContact O-N 3.42Å; M223-V226 PolarHBondContact O-N 2.93Å; M223-S227 WeakPolarHBondContact O-CB 3.14Å; M223-S227 PolarHBondContact O-N 3.07Å |
| 224 | E | 98.4 | Very high | 98.2 | Very high | 94 Ų | 94 | 94.8 Ų | 94.8 | 44% | 0.439 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 173.8 | -72.7 | -58.1 | 140.1 | 0 | 0 | 111.3 | Q220 L221 V226 S227 I228 | Q220-E224 PolarHBondContact NE2-OE1 3.48Å; Q220-E224 WeakPolarHBondContact O-CG 3.19Å; Q220-E224 PolarHBondContact O-N 2.72Å; L221-E224 PolarHBondContact O-N 3.44Å; E224-V226 VanDerWaalsContact C-N 3.34Å; E224-V226 PolarHBondContact O-N 3.03Å; E224-S227 WeakPolarHBondContact O-CB 3.37Å; E224-S227 PolarHBondContact O-N 3.39Å; E224-S227 VanDerWaalsContact O-N 3.16Å; E224-I228 WeakPolarHBondContact O-CG1 3.11Å; E224-I228 PolarHBondContact O-N 3.04Å |
| 225 | L | 98.3 | Very high | 98.3 | Very high | 84 Ų | 84 | 96.9 Ų | 96.9 | 44% | 0.44 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 177.3 | -179.7 | 64.7 | 0 | 0 | 0 | 111.7 | L221 D222 M223 K229 | L221-L225 WeakPolarHBondContact O-CB 3.11Å; L221-L225 PolarHBondContact O-N 3.34Å; D222-L225 PolarHBondContact O-N 3.01Å; M223-L225 VanDerWaalsContact C-N 3.33Å; M223-L225 PolarHBondContact O-N 3.42Å; L225-K229 HydrophobicContact CD1-CD 4.49Å; L225-K229 HydrophobicContact CG-CD 4.25Å; L225-K229 WeakPolarHBondContact O-CB 3.2Å; L225-K229 VanDerWaalsContact O-CG 3.23Å; L225-K229 WeakPolarHBondContact O-CG 3.45Å; L225-K229 PolarHBondContact O-N 3.49Å |
| 226 | V | 98.6 | Very high | 98.3 | Very high | 86 Ų | 86 | 100.4 Ų | 100.4 | 52% | 0.521 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 176.3 | 172 | 0 | 0 | 0 | 0 | 111 | D222 M223 E224 K229 R230 | D222-V226 WeakPolarHBondContact O-CG2 3.34Å; D222-V226 PolarHBondContact O-N 3.4Å; M223-V226 PolarHBondContact O-N 2.93Å; E224-V226 VanDerWaalsContact C-N 3.34Å; E224-V226 PolarHBondContact O-N 3.03Å; V226-K229 PolarHBondContact O-N 2.85Å; V226-R230 PolarHBondContact O-N 3.14Å |
| 227 | S | 98.6 | Very high | 98.4 | Very high | 42 Ų | 42 | 103.5 Ų | 103.5 | 29% | 0.294 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -50.4 | 177.2 | -163.9 | 0 | 0 | 0 | 0 | 112 | M223 E224 K229 R230 Q231 | M223-S227 WeakPolarHBondContact O-CB 3.14Å; M223-S227 PolarHBondContact O-N 3.07Å; E224-S227 WeakPolarHBondContact O-CB 3.37Å; E224-S227 PolarHBondContact O-N 3.39Å; E224-S227 VanDerWaalsContact O-N 3.16Å; S227-K229 PolarHBondContact O-N 2.98Å; S227-R230 WeakPolarHBondContact O-CB 2.89Å; S227-R230 PolarHBondContact O-N 3.03Å; S227-R230 PolarHBondContact OG-NH2 2.6Å; S227-Q231 PolarHBondContact O-N 3.43Å |
| 228 | I | 98.7 | Very high | 98.4 | Very high | 86 Ų | 86 | 104.8 Ų | 104.8 | 44% | 0.441 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 177.7 | -67.2 | 169.3 | 0 | 0 | 0 | 110.6 | E224 R230 Q231 I232 | E224-I228 WeakPolarHBondContact O-CG1 3.11Å; E224-I228 PolarHBondContact O-N 3.04Å; I228-R230 VanDerWaalsContact C-N 3.3Å; I228-R230 PolarHBondContact O-N 2.81Å; I228-Q231 PolarHBondContact O-N 3.07Å; I228-I232 HydrophobicContact CG2-CD1 3.95Å; I228-I232 HydrophobicContact CG2-CG1 4.44Å; I228-I232 WeakPolarHBondContact O-CG1 3.47Å; I228-I232 PolarHBondContact O-N 3.14Å |
| 229 | K | 98.6 | Very high | 98.5 | Very high | 118 Ų | 118 | 103.3 Ų | 103.3 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -42.2 | 175.4 | -79.7 | 175 | 178 | 179.7 | 0 | 112 | L225 V226 S227 I232 Q233 | L225-K229 HydrophobicContact CD1-CD 4.49Å; L225-K229 HydrophobicContact CG-CD 4.25Å; L225-K229 WeakPolarHBondContact O-CB 3.2Å; L225-K229 VanDerWaalsContact O-CG 3.23Å; L225-K229 WeakPolarHBondContact O-CG 3.45Å; L225-K229 PolarHBondContact O-N 3.49Å; V226-K229 PolarHBondContact O-N 2.85Å; S227-K229 PolarHBondContact O-N 2.98Å; K229-I232 PolarHBondContact O-N 3.36Å; K229-Q233 WeakPolarHBondContact O-CG 3.28Å; K229-Q233 PolarHBondContact O-N 3.3Å; K229-Q233 VanDerWaalsContact O-N 3.15Å |
| 230 | R | 98.6 | Very high | 98.5 | Very high | 136 Ų | 136 | 99.4 Ų | 99.4 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 175.8 | -177 | 175.4 | 63.5 | -95.7 | -4.8 | 111.6 | V226 S227 I228 I232 Q233 N234 | V226-R230 PolarHBondContact O-N 3.14Å; S227-R230 WeakPolarHBondContact O-CB 2.89Å; S227-R230 PolarHBondContact O-N 3.03Å; S227-R230 PolarHBondContact OG-NH2 2.6Å; I228-R230 VanDerWaalsContact C-N 3.3Å; I228-R230 PolarHBondContact O-N 2.81Å; R230-I232 VanDerWaalsContact C-N 3.3Å; R230-I232 PolarHBondContact O-N 2.88Å; R230-Q233 PolarHBondContact O-N 3.28Å; R230-Q233 VanDerWaalsContact O-N 3.12Å; R230-N234 PolarHBondContact O-N 2.98Å |
| 231 | Q | 98.6 | Very high | 98.5 | Very high | 113 Ų | 113 | 96.9 Ų | 96.9 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.8 | -42 | 175.7 | -174.3 | -179.4 | -8.1 | 0 | 0 | 111.8 | S227 I228 Q233 N234 I235 | S227-Q231 PolarHBondContact O-N 3.43Å; I228-Q231 PolarHBondContact O-N 3.07Å; Q231-Q233 VanDerWaalsContact C-N 3.33Å; Q231-Q233 PolarHBondContact O-N 3.01Å; Q231-N234 PolarHBondContact O-N 3.39Å; Q231-I235 HydrophobicContact CG-CD1 4.1Å; Q231-I235 WeakPolarHBondContact O-CG1 3.43Å; Q231-I235 PolarHBondContact O-N 3.35Å |
| 232 | I | 98.7 | Very high | 98.5 | Very high | 94 Ų | 94 | 96 Ų | 96 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 175.4 | -70.5 | 167.6 | 0 | 0 | 0 | 111.1 | I228 K229 R230 I235 K236 | I228-I232 HydrophobicContact CG2-CD1 3.95Å; I228-I232 HydrophobicContact CG2-CG1 4.44Å; I228-I232 WeakPolarHBondContact O-CG1 3.47Å; I228-I232 PolarHBondContact O-N 3.14Å; K229-I232 PolarHBondContact O-N 3.36Å; R230-I232 VanDerWaalsContact C-N 3.3Å; R230-I232 PolarHBondContact O-N 2.88Å; I232-I235 PolarHBondContact O-N 2.85Å; I232-K236 VanDerWaalsContact O-CB 3.3Å; I232-K236 WeakPolarHBondContact O-CB 3.43Å; I232-K236 PolarHBondContact O-N 3.44Å |
| 233 | Q | 98.7 | Very high | 98.5 | Very high | 110 Ų | 110 | 98.8 Ų | 98.8 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 177.4 | -65.6 | -54.8 | -39.6 | 0 | 0 | 112.1 | K229 R230 Q231 K236 Q237 | K229-Q233 WeakPolarHBondContact O-CG 3.28Å; K229-Q233 PolarHBondContact O-N 3.3Å; K229-Q233 VanDerWaalsContact O-N 3.15Å; R230-Q233 PolarHBondContact O-N 3.28Å; R230-Q233 VanDerWaalsContact O-N 3.12Å; Q231-Q233 VanDerWaalsContact C-N 3.33Å; Q231-Q233 PolarHBondContact O-N 3.01Å; Q233-K236 WeakPolarHBondContact O-CB 3.21Å; Q233-K236 PolarHBondContact O-N 3.39Å; Q233-Q237 PolarHBondContact O-N 2.87Å |
| 234 | N | 98.6 | Very high | 98.5 | Very high | 94 Ų | 94 | 99.4 Ų | 99.4 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 176.7 | -70.1 | -10.7 | 0 | 0 | 0 | 112 | R230 Q231 K236 Q237 T238 | R230-N234 PolarHBondContact O-N 2.98Å; Q231-N234 PolarHBondContact O-N 3.39Å; N234-K236 VanDerWaalsContact C-N 3.3Å; N234-K236 PolarHBondContact O-N 3.16Å; N234-Q237 PolarHBondContact O-N 2.84Å; N234-T238 WeakPolarHBondContact O-CB 3.25Å; N234-T238 PolarHBondContact O-N 3.28Å; N234-T238 PolarHBondContact O-OG1 2.86Å |
| 235 | I | 98.7 | Very high | 98.5 | Very high | 83 Ų | 83 | 103.3 Ų | 103.3 | 43% | 0.426 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 176.1 | -66.8 | 169 | 0 | 0 | 0 | 110.2 | Q231 I232 Q237 T238 N239 | Q231-I235 HydrophobicContact CG-CD1 4.1Å; Q231-I235 WeakPolarHBondContact O-CG1 3.43Å; Q231-I235 PolarHBondContact O-N 3.35Å; I232-I235 PolarHBondContact O-N 2.85Å; I235-Q237 PolarHBondContact O-N 3.5Å; I235-T238 PolarHBondContact O-N 3.31Å; I235-N239 VanDerWaalsContact O-CB 3.31Å; I235-N239 WeakPolarHBondContact O-CB 3.21Å; I235-N239 VanDerWaalsContact O-CG 3.31Å; I235-N239 PolarHBondContact O-N 2.84Å |
| 236 | K | 98.8 | Very high | 98.4 | Very high | 139 Ų | 139 | 105.7 Ų | 105.7 | 60% | 0.604 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61 | -45.1 | 177.8 | -173 | -177.6 | 176.8 | -170.7 | 0 | 111.4 | I232 Q233 N234 S240 | I232-K236 VanDerWaalsContact O-CB 3.3Å; I232-K236 WeakPolarHBondContact O-CB 3.43Å; I232-K236 PolarHBondContact O-N 3.44Å; Q233-K236 WeakPolarHBondContact O-CB 3.21Å; Q233-K236 PolarHBondContact O-N 3.39Å; N234-K236 VanDerWaalsContact C-N 3.3Å; N234-K236 PolarHBondContact O-N 3.16Å; K236-S240 WeakPolarHBondContact O-CB 3.39Å; K236-S240 PolarHBondContact O-N 2.9Å |
| 237 | Q | 98.5 | Very high | 98.2 | Very high | 144 Ų | 144 | 109.4 Ų | 109.4 | 67% | 0.673 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.7 | -45.3 | 177.1 | -171.9 | 175.5 | 8.4 | 0 | 0 | 111.5 | Q233 N234 I235 N239 S240 A241 | Q233-Q237 PolarHBondContact O-N 2.87Å; N234-Q237 PolarHBondContact O-N 2.84Å; I235-Q237 PolarHBondContact O-N 3.5Å; Q237-N239 PolarHBondContact O-N 3.29Å; Q237-S240 WeakPolarHBondContact O-CB 3.27Å; Q237-S240 PolarHBondContact O-N 3.44Å; Q237-A241 PolarHBondContact O-N 3.26Å; Q237-A241 VanDerWaalsContact O-N 3.08Å |
| 238 | T | 98.6 | Very high | 97.9 | Very high | 83 Ų | 83 | 110.5 Ų | 110.5 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.2 | -48.8 | 177.2 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | N234 I235 S240 A241 L242 | N234-T238 WeakPolarHBondContact O-CB 3.25Å; N234-T238 PolarHBondContact O-N 3.28Å; N234-T238 PolarHBondContact O-OG1 2.86Å; I235-T238 PolarHBondContact O-N 3.31Å; T238-S240 VanDerWaalsContact C-N 3.28Å; T238-S240 PolarHBondContact O-N 3.49Å; T238-A241 PolarHBondContact O-N 2.82Å; T238-L242 HydrophobicContact CG2-CD1 4.4Å; T238-L242 WeakPolarHBondContact O-CG 3.24Å; T238-L242 PolarHBondContact O-N 2.91Å |
| 239 | N | 98.4 | Very high | 97.8 | Very high | 78 Ų | 78 | 108.6 Ų | 108.6 | 42% | 0.417 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.4 | -31.3 | 178.5 | -73.8 | -11.7 | 0 | 0 | 0 | 112.3 | I235 Q237 L242 K243 | I235-N239 VanDerWaalsContact O-CB 3.31Å; I235-N239 WeakPolarHBondContact O-CB 3.21Å; I235-N239 VanDerWaalsContact O-CG 3.31Å; I235-N239 PolarHBondContact O-N 2.84Å; Q237-N239 PolarHBondContact O-N 3.29Å; N239-L242 PolarHBondContact O-N 3.43Å; N239-K243 WeakPolarHBondContact O-CB 3.38Å; N239-K243 VanDerWaalsContact O-CG 3.27Å; N239-K243 WeakPolarHBondContact O-CG 3.41Å; N239-K243 PolarHBondContact O-N 3.32Å |
| 240 | S | 98.4 | Very high | 97.7 | Very high | 72 Ų | 72 | 108.3 Ų | 108.3 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.1 | -48.5 | 173.6 | -164.1 | 0 | 0 | 0 | 0 | 110.9 | K236 Q237 T238 L242 K243 E244 | K236-S240 WeakPolarHBondContact O-CB 3.39Å; K236-S240 PolarHBondContact O-N 2.9Å; Q237-S240 WeakPolarHBondContact O-CB 3.27Å; Q237-S240 PolarHBondContact O-N 3.44Å; T238-S240 VanDerWaalsContact C-N 3.28Å; T238-S240 PolarHBondContact O-N 3.49Å; S240-L242 VanDerWaalsContact C-N 3.33Å; S240-L242 PolarHBondContact O-N 3.18Å; S240-K243 PolarHBondContact O-N 3.3Å; S240-E244 PolarHBondContact O-N 3Å |
| 241 | A | 98.4 | Very high | 97.5 | Very high | 46 Ų | 46 | 107.7 Ų | 107.7 | 38% | 0.38 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.4 | -37.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q237 T238 E244 K245 | Q237-A241 PolarHBondContact O-N 3.26Å; Q237-A241 VanDerWaalsContact O-N 3.08Å; T238-A241 PolarHBondContact O-N 2.82Å; A241-E244 PolarHBondContact O-N 3.22Å; A241-K245 WeakPolarHBondContact O-CG 3.32Å; A241-K245 PolarHBondContact O-N 3.23Å; A241-K245 VanDerWaalsContact O-N 3.11Å |
| 242 | L | 98.3 | Very high | 97.3 | Very high | 88 Ų | 88 | 109.5 Ų | 109.5 | 46% | 0.461 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.8 | -36.7 | 174.7 | -68.6 | 176.3 | 0 | 0 | 0 | 112.5 | T238 N239 S240 K245 L246 | T238-L242 HydrophobicContact CG2-CD1 4.4Å; T238-L242 WeakPolarHBondContact O-CG 3.24Å; T238-L242 PolarHBondContact O-N 2.91Å; N239-L242 PolarHBondContact O-N 3.43Å; S240-L242 VanDerWaalsContact C-N 3.33Å; S240-L242 PolarHBondContact O-N 3.18Å; L242-K245 PolarHBondContact O-N 3.31Å; L242-L246 WeakPolarHBondContact O-CG 3.1Å; L242-L246 PolarHBondContact O-N 3.22Å |
| 243 | K | 98.1 | Very high | 97.2 | Very high | 158 Ų | 158 | 112.9 Ų | 112.9 | 69% | 0.687 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.9 | -40.9 | 176.1 | -78.6 | 177 | 175.2 | -169.2 | 0 | 112.1 | N239 S240 K245 L246 E247 | N239-K243 WeakPolarHBondContact O-CB 3.38Å; N239-K243 VanDerWaalsContact O-CG 3.27Å; N239-K243 WeakPolarHBondContact O-CG 3.41Å; N239-K243 PolarHBondContact O-N 3.32Å; S240-K243 PolarHBondContact O-N 3.3Å; K243-K245 VanDerWaalsContact C-N 3.33Å; K243-L246 CarbonylContact O-C 3.59Å; K243-L246 PolarHBondContact O-N 3.37Å; K243-L246 VanDerWaalsContact O-N 3.11Å; K243-E247 PolarHBondContact O-N 3Å |
| 244 | E | 97.9 | Very high | 97 | Very high | 140 Ų | 140 | 115 Ų | 115 | 65% | 0.654 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.3 | -42.3 | 175 | -172.8 | -179.3 | 174.5 | 0 | 0 | 111.2 | S240 A241 L246 E247 | S240-E244 PolarHBondContact O-N 3Å; A241-E244 PolarHBondContact O-N 3.22Å; E244-L246 PolarHBondContact O-N 3.39Å; E244-L246 VanDerWaalsContact O-N 3.17Å; E244-E247 WeakPolarHBondContact O-CB 3.44Å; E244-E247 PolarHBondContact O-N 3.11Å |
| 245 | K | 97.4 | Very high | 96.8 | Very high | 175 Ų | 175 | 117.7 Ų | 117.7 | 76% | 0.761 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.3 | -22.7 | 174 | -72.5 | -179.5 | -179.5 | -172.8 | 0 | 114.4 | A241 L242 K243 | A241-K245 WeakPolarHBondContact O-CG 3.32Å; A241-K245 PolarHBondContact O-N 3.23Å; A241-K245 VanDerWaalsContact O-N 3.11Å; L242-K245 PolarHBondContact O-N 3.31Å; K243-K245 VanDerWaalsContact C-N 3.33Å |
| 246 | L | 96.7 | Very high | 96.6 | Very high | 135 Ų | 135 | 119.3 Ų | 119.3 | 71% | 0.707 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 10.4 | 178 | -63.7 | 175.2 | 0 | 0 | 0 | 112.1 | L242 K243 E244 G249 | L242-L246 WeakPolarHBondContact O-CG 3.1Å; L242-L246 PolarHBondContact O-N 3.22Å; K243-L246 CarbonylContact O-C 3.59Å; K243-L246 PolarHBondContact O-N 3.37Å; K243-L246 VanDerWaalsContact O-N 3.11Å; E244-L246 PolarHBondContact O-N 3.39Å; E244-L246 VanDerWaalsContact O-N 3.17Å; L246-G249 PolarHBondContact O-N 2.65Å; L246-G249 VanDerWaalsContact O-N 3.14Å |
| 247 | E | 95.3 | Very high | 96.2 | Very high | 163 Ų | 163 | 121.4 Ų | 121.4 | 76% | 0.762 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 141.5 | 174.6 | -172.3 | 169.2 | -154.5 | 0 | 0 | 110.5 | K243 E244 G249 | K243-E247 PolarHBondContact O-N 3Å; E244-E247 WeakPolarHBondContact O-CB 3.44Å; E244-E247 PolarHBondContact O-N 3.11Å; E247-G249 PolarHBondContact O-N 3.07Å |
| 248 | G | 92.3 | Very high | 95.8 | Very high | 66 Ų | 66 | 119.9 Ų | 119.9 | 68% | 0.68 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.6 | -13.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 249 | G | 95.8 | Very high | 95.4 | Very high | 45 Ų | 45 | 122.1 Ų | 122.1 | 46% | 0.464 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 61 | -142.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L246 E247 | L246-G249 PolarHBondContact O-N 2.65Å; L246-G249 VanDerWaalsContact O-N 3.14Å; E247-G249 PolarHBondContact O-N 3.07Å |
| 250 | I | 96.7 | Very high | 95 | Very high | 113 Ų | 113 | 123.1 Ų | 123.1 | 58% | 0.579 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | 12.9 | -179.2 | 62.6 | 168.9 | 0 | 0 | 0 | 113.5 | Q252 Y253 R254 | I250-Q252 VanDerWaalsContact C-N 3.31Å; I250-Q252 PolarHBondContact O-N 3.18Å; I250-Y253 HydrophobicContact CB-CD2 4.43Å; I250-Y253 CarbonylContact O-C 2.99Å; I250-Y253 WeakPolarHBondContact O-CA 3.47Å; I250-Y253 PolarHBondContact O-N 3.33Å; I250-R254 PolarHBondContact O-N 2.7Å; I250-R254 VanDerWaalsContact O-N 3.15Å |
| 251 | E | 94.9 | Very high | 94.8 | Very high | 122 Ų | 122 | 129 Ų | 129 | 57% | 0.57 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -63.2 | -36.9 | -172.6 | -62.9 | -50.9 | 138.2 | 0 | 0 | 112.5 | Y253 R254 | E251-Y253 PolarHBondContact O-N 3.28Å; E251-R254 VanDerWaalsContact CD-NH1 3.33Å; E251-R254 WeakPolarHBondContact O-CB 3.43Å; E251-R254 PolarHBondContact O-N 3.23Å; E251-R254 VanDerWaalsContact O-N 3.13Å; E251-R254 IonicContact OE1-NH1 3.32Å; E251-R254 PolarHBondContact OE1-NH1 2.95Å; E251-R254 IonicContact OE2-CZ 2.74Å; E251-R254 IonicContact OE2-NH1 3.53Å; E251-R254 PolarHBondContact OE2-NH1 3.47Å |
| 252 | Q | 94.5 | Very high | 94.6 | Very high | 151 Ų | 151 | 133.3 Ų | 133.3 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -66.4 | -19.6 | 175.1 | 68.4 | -174.9 | 4.8 | 0 | 0 | 114 | I250 | I250-Q252 VanDerWaalsContact C-N 3.31Å; I250-Q252 PolarHBondContact O-N 3.18Å |
| 253 | Y | 95.4 | Very high | 94.5 | Very high | 166 Ų | 166 | 132.9 Ų | 132.9 | 65% | 0.651 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -99.9 | -0.7 | 177.5 | -51.7 | -67.9 | 0 | 0 | 0 | 112.2 | I250 E251 L255 | I250-Y253 HydrophobicContact CB-CD2 4.43Å; I250-Y253 CarbonylContact O-C 2.99Å; I250-Y253 WeakPolarHBondContact O-CA 3.47Å; I250-Y253 PolarHBondContact O-N 3.33Å; E251-Y253 PolarHBondContact O-N 3.28Å; Y253-L255 PolarHBondContact O-N 3.15Å |
| 254 | R | 95.6 | Very high | 94.4 | Very high | 154 Ų | 154 | 129.1 Ų | 129.1 | 58% | 0.581 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 117.4 | -179.4 | -172.9 | 179 | -124.4 | 104.7 | 6.6 | 109.7 | I250 E251 | I250-R254 PolarHBondContact O-N 2.7Å; I250-R254 VanDerWaalsContact O-N 3.15Å; E251-R254 VanDerWaalsContact CD-NH1 3.33Å; E251-R254 WeakPolarHBondContact O-CB 3.43Å; E251-R254 PolarHBondContact O-N 3.23Å; E251-R254 VanDerWaalsContact O-N 3.13Å; E251-R254 IonicContact OE1-NH1 3.32Å; E251-R254 PolarHBondContact OE1-NH1 2.95Å; E251-R254 IonicContact OE2-CZ 2.74Å; E251-R254 IonicContact OE2-NH1 3.53Å; E251-R254 PolarHBondContact OE2-NH1 3.47Å |
| 255 | L | 94.3 | Very high | 94.3 | Very high | 151 Ų | 151 | 131.7 Ų | 131.7 | 79% | 0.791 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -80 | 147.8 | 172 | -61.2 | 177.8 | 0 | 0 | 0 | 110.7 | Y253 | Y253-L255 PolarHBondContact O-N 3.15Š|
| 256 | P | 93.8 | Very high | 94.4 | Very high | 117 Ų | 117 | 125.3 Ų | 125.3 | 76% | 0.76 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 139.8 | 172.8 | -22.8 | 33.7 | 0 | 0 | 0 | 112 | V258 | P256-V258 PolarHBondContact O-N 3.44Š|
| 257 | E | 90.8 | Very high | 94.4 | Very high | 182 Ų | 182 | 121.7 Ų | 121.7 | 85% | 0.85 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 123.2 | 176.9 | -169.6 | 171.2 | -175.6 | 0 | 0 | 110.5 | ||
| 258 | V | 91.1 | Very high | 94.6 | Very high | 112 Ų | 112 | 118.7 Ų | 118.7 | 68% | 0.679 | 62% | 0.617 | S | S | * | * | trans | -92.7 | 105.1 | -180 | 178.4 | 0 | 0 | 0 | 0 | 109 | P256 Q260 | P256-V258 PolarHBondContact O-N 3.44Å; V258-Q260 HydrophobicContact CG1-CG 3.92Å | ||
| 259 | V | 88.4 | Confident | 94.8 | Very high | 131 Ų | 131 | 121.1 Ų | 121.1 | 79% | 0.794 | 61% | 0.614 | S | S | * | * | trans | -91.8 | 104.7 | 177.7 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 260 | Q | 90.2 | Very high | 94.9 | Very high | 99 Ų | 99 | 119.9 Ų | 119.9 | 46% | 0.463 | 60% | 0.596 | S | S | . | * | trans | -112.1 | 148.1 | 174.8 | -72.4 | 179.3 | 7.3 | 0 | 0 | 111.5 | V258 N294 | V258-Q260 HydrophobicContact CG1-CG 3.92Å; Q260-N294 HydrophobicContact CB-CB 4.39Å | ||
| 261 | K | 94.2 | Very high | 95 | Very high | 196 Ų | 196 | 116 Ų | 116 | 85% | 0.852 | 58% | 0.576 | S | S | * | * | trans | -80.6 | 138.1 | 173.8 | -68 | -174.7 | 179 | -179.9 | 0 | 110 | ||||
| 262 | F | 95.6 | Very high | 95.2 | Very high | 136 Ų | 136 | 114.5 Ų | 114.5 | 60% | 0.596 | 57% | 0.571 | S | S | * | * | trans | -63.6 | 137.2 | 175.9 | -64.2 | -59.1 | 0 | 0 | 0 | 112.1 | N294 K295 | F262-N294 CarbonylContact C-O 3.38Å; F262-N294 VanDerWaalsContact CA-O 3.32Å; F262-N294 WeakPolarHBondContact CA-O 3.46Å; F262-K295 VanDerWaalsContact CD1-C 3.45Å; F262-K295 WeakPolarHBondContact CE1-O 3.46Å | ||
| 263 | N | 94.9 | Very high | 95.4 | Very high | 78 Ų | 78 | 110.8 Ų | 110.8 | 42% | 0.417 | 56% | 0.556 | S | S | . | * | trans | -124.4 | 135.9 | 179.5 | -168.6 | -23.4 | 0 | 0 | 0 | 110.4 | R265 N294 K295 Q299 | N263-R265 PolarHBondContact OD1-N 3.19Å; N263-N294 PolarHBondContact N-O 3.25Å; N263-K295 VanDerWaalsContact O-CD 3.26Å; N263-K295 WeakPolarHBondContact O-CD 3.33Å; N263-K295 WeakPolarHBondContact O-CE 3.35Å; N263-K295 PolarHBondContact O-NZ 3.45Å; N263-Q299 PolarHBondContact O-NE2 3Å | ||
| 264 | A | 96 | Very high | 95.5 | Very high | 79 Ų | 79 | 103 Ų | 103 | 65% | 0.653 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -79.2 | -26 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 265 | R | 97.5 | Very high | 95.6 | Very high | 194 Ų | 194 | 97.2 Ų | 97.2 | 73% | 0.732 | 51% | 0.507 | S | S | * | . | trans | -75.3 | 134.8 | 179.5 | -175.8 | 178.5 | -65 | -84.4 | 0 | 109.7 | N263 E270 K295 | N263-R265 PolarHBondContact OD1-N 3.19Å; R265-E270 VanDerWaalsContact O-OE2 3.08Å; R265-K295 VanDerWaalsContact O-CE 3.3Å; R265-K295 WeakPolarHBondContact O-CE 3.33Å; R265-K295 PolarHBondContact O-NZ 2.94Å | ||
| 266 | W | 98.1 | Very high | 95.8 | Very high | 41 Ų | 41 | 96 Ų | 96 | 16% | 0.155 | 50% | 0.497 | C | S | . | . | trans | -98.5 | 110.7 | 173.3 | -75 | 90.9 | 0 | 0 | 0 | 110 | E270 Q271 A274 I292 K295 Q299 F303 | W266-E270 WeakPolarHBondContact CA-OE2 3.39Å; W266-E270 HydrophobicContact CE3-CB 3.92Å; W266-E270 HydrophobicContact CZ3-CB 4.28Å; W266-Q271 HydrophobicContact CB-CG 4Å; W266-Q271 HydrophobicContact CE3-CG 4.24Å; W266-Q271 PolarHBondContact O-NE2 3.44Å; W266-A274 HydrophobicContact CH2-CB 4.45Å; W266-A274 HydrophobicContact CZ3-CB 4.01Å; W266-I292 HydrophobicContact CH2-CD1 3.88Å; W266-I292 HydrophobicContact CZ3-CD1 3.94Å; W266-K295 HydrophobicContact CD2-CD 4.19Å; W266-K295 HydrophobicContact CE3-CD 4.42Å; W266-K295 HydrophobicContact CE3-CG 4.43Å; W266-K295 HydrophobicContact CH2-CB 4.15Å; W266-K295 HydrophobicContact CH2-CD 3.99Å; W266-K295 HydrophobicContact CH2-CG 3.59Å; W266-K295 HydrophobicContact CZ2-CB 4.33Å; W266-K295 HydrophobicContact CZ2-CD 3.68Å; W266-K295 HydrophobicContact CZ2-CG 3.8Å; W266-K295 HydrophobicContact CZ3-CD 4.33Å; W266-K295 HydrophobicContact CZ3-CG 3.91Å; W266-Q299 HydrophobicContact CZ2-CB 4.4Å; W266-F303 AromaticContact CD2-CD2 3.96Å; W266-F303 HydrophobicContact CD2-CD2 3.96Å; W266-F303 HydrophobicContact CD2-CE2 4.48Å; W266-F303 AromaticContact CE2-CD2 3.93Å; W266-F303 AromaticContact CE3-CD2 4Å; W266-F303 HydrophobicContact CE3-CD2 4Å; W266-F303 HydrophobicContact CE3-CE2 4.23Å; W266-F303 HydrophobicContact CH2-CB 4.04Å; W266-F303 AromaticContact CH2-CD2 3.97Å; W266-F303 HydrophobicContact CH2-CD2 3.97Å; W266-F303 HydrophobicContact CH2-CG 4.06Å; W266-F303 HydrophobicContact CZ2-CB 3.72Å; W266-F303 AromaticContact CZ2-CD2 3.95Å; W266-F303 HydrophobicContact CZ2-CD2 3.95Å; W266-F303 HydrophobicContact CZ2-CG 4.1Å; W266-F303 AromaticContact CZ3-CD2 4Å; W266-F303 HydrophobicContact CZ3-CD2 4Å; W266-F303 HydrophobicContact CZ3-CE2 4.36Å; W266-F303 HydrophobicContact CZ3-CG 4.45Å | ||
| 267 | T | 98 | Very high | 96 | Very high | 60 Ų | 60 | 90.5 Ų | 90.5 | 37% | 0.368 | 46% | 0.462 | S | S | . | . | trans | -75.6 | 161 | 170.3 | 70.9 | 0 | 0 | 0 | 0 | 110.4 | D269 E270 Q271 | T267-D269 VanDerWaalsContact C-N 3.27Å; T267-D269 PolarHBondContact O-N 3.25Å; T267-E270 PolarHBondContact N-OE2 3.42Å; T267-E270 PolarHBondContact O-N 2.93Å; T267-E270 WeakPolarHBondContact OG1-CB 3.44Å; T267-E270 VanDerWaalsContact OG1-CD 3.29Å; T267-E270 WeakPolarHBondContact OG1-CG 3.48Å; T267-E270 PolarHBondContact OG1-N 2.96Å; T267-Q271 VanDerWaalsContact O-CG 3.27Å; T267-Q271 WeakPolarHBondContact O-CG 3.39Å; T267-Q271 PolarHBondContact O-N 2.88Å | ||
| 268 | T | 97.9 | Very high | 96.4 | Very high | 99 Ų | 99 | 82 Ų | 82 | 61% | 0.607 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -57.9 | -42.3 | 176.8 | -50.9 | 0 | 0 | 0 | 0 | 111.4 | E270 Q271 L272 | T268-E270 PolarHBondContact O-N 2.77Å; T268-Q271 PolarHBondContact O-N 3.21Å; T268-L272 HydrophobicContact CG2-CD1 4.34Å; T268-L272 WeakPolarHBondContact O-CG 3.24Å; T268-L272 PolarHBondContact O-N 3.3Å |
| 269 | D | 97.8 | Very high | 96.7 | Very high | 118 Ų | 118 | 79.7 Ų | 79.7 | 63% | 0.631 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.8 | -43.1 | 178.5 | -60.8 | -18.5 | 0 | 0 | 0 | 111.8 | T267 Q271 L272 L273 | T267-D269 VanDerWaalsContact C-N 3.27Å; T267-D269 PolarHBondContact O-N 3.25Å; D269-Q271 VanDerWaalsContact C-N 3.33Å; D269-Q271 PolarHBondContact O-N 3.05Å; D269-L272 PolarHBondContact O-N 3.18Å; D269-L273 WeakPolarHBondContact O-CB 3.45Å; D269-L273 WeakPolarHBondContact O-CG 3.42Å; D269-L273 PolarHBondContact O-N 3.44Å |
| 270 | E | 98.3 | Very high | 97.1 | Very high | 19 Ų | 19 | 79.7 Ų | 79.7 | 9% | 0.089 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.8 | -36.1 | 176.5 | -70 | 164.9 | 169.5 | 0 | 0 | 112.3 | R265 W266 T267 T268 A274 I292 N294 K295 | R265-E270 VanDerWaalsContact O-OE2 3.08Å; W266-E270 WeakPolarHBondContact CA-OE2 3.39Å; W266-E270 HydrophobicContact CE3-CB 3.92Å; W266-E270 HydrophobicContact CZ3-CB 4.28Å; T267-E270 PolarHBondContact N-OE2 3.42Å; T267-E270 PolarHBondContact O-N 2.93Å; T267-E270 WeakPolarHBondContact OG1-CB 3.44Å; T267-E270 VanDerWaalsContact OG1-CD 3.29Å; T267-E270 WeakPolarHBondContact OG1-CG 3.48Å; T267-E270 PolarHBondContact OG1-N 2.96Å; T268-E270 PolarHBondContact O-N 2.77Å; E270-A274 WeakPolarHBondContact O-CB 3.29Å; E270-A274 PolarHBondContact O-N 2.98Å; E270-I292 HydrophobicContact CB-CG2 4.34Å; E270-I292 HydrophobicContact CG-CG2 4.23Å; E270-N294 PolarHBondContact OE1-ND2 3.16Å; E270-N294 PolarHBondContact OE1-OD1 3.16Å; E270-K295 IonicContact OE1-NZ 2.75Å; E270-K295 PolarHBondContact OE1-NZ 2.84Å; E270-K295 VanDerWaalsContact OE1-NZ 3.11Å; E270-K295 WeakPolarHBondContact OE2-CE 3.44Å; E270-K295 IonicContact OE2-NZ 2.71Å; E270-K295 PolarHBondContact OE2-NZ 3.19Å |
| 271 | Q | 98.3 | Very high | 97.5 | Very high | 31 Ų | 31 | 78.9 Ų | 78.9 | 15% | 0.145 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 176.2 | -63.9 | 174.1 | 38.6 | 0 | 0 | 111 | W266 T267 T268 D269 A274 V275 F303 F311 | W266-Q271 HydrophobicContact CB-CG 4Å; W266-Q271 HydrophobicContact CE3-CG 4.24Å; W266-Q271 PolarHBondContact O-NE2 3.44Å; T267-Q271 VanDerWaalsContact O-CG 3.27Å; T267-Q271 WeakPolarHBondContact O-CG 3.39Å; T267-Q271 PolarHBondContact O-N 2.88Å; T268-Q271 PolarHBondContact O-N 3.21Å; D269-Q271 VanDerWaalsContact C-N 3.33Å; D269-Q271 PolarHBondContact O-N 3.05Å; Q271-A274 WeakPolarHBondContact O-CB 3.36Å; Q271-A274 PolarHBondContact O-N 3.26Å; Q271-V275 WeakPolarHBondContact O-CG2 3.49Å; Q271-V275 PolarHBondContact O-N 3.15Å; Q271-F303 HydrophobicContact CB-CE2 4.18Å; Q271-F303 HydrophobicContact CB-CZ 4.37Å; Q271-F303 HydrophobicContact CG-CE2 3.94Å; Q271-F311 HydrophobicContact CB-CE2 4.08Å; Q271-F311 HydrophobicContact CB-CZ 4.06Å |
| 272 | L | 98.3 | Very high | 97.6 | Very high | 90 Ų | 90 | 69.5 Ų | 69.5 | 47% | 0.471 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 176.4 | -67.6 | 174.8 | 0 | 0 | 0 | 112 | T268 D269 V275 Q276 | T268-L272 HydrophobicContact CG2-CD1 4.34Å; T268-L272 WeakPolarHBondContact O-CG 3.24Å; T268-L272 PolarHBondContact O-N 3.3Å; D269-L272 PolarHBondContact O-N 3.18Å; L272-V275 PolarHBondContact O-N 3.14Å; L272-Q276 WeakPolarHBondContact O-CG 3.39Å; L272-Q276 PolarHBondContact O-N 3.06Å; L272-Q276 VanDerWaalsContact O-N 3.11Å; L272-Q276 PolarHBondContact O-NE2 3.35Å; L272-Q276 VanDerWaalsContact O-NE2 3.14Å |
| 273 | L | 98.4 | Very high | 97.7 | Very high | 74 Ų | 74 | 68.7 Ų | 68.7 | 39% | 0.387 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 172.4 | -76.9 | 172.3 | 0 | 0 | 0 | 111.3 | D269 V275 Q276 A277 | D269-L273 WeakPolarHBondContact O-CB 3.45Å; D269-L273 WeakPolarHBondContact O-CG 3.42Å; D269-L273 PolarHBondContact O-N 3.44Å; L273-V275 PolarHBondContact O-N 3.48Å; L273-Q276 PolarHBondContact O-N 2.92Å; L273-A277 VanDerWaalsContact O-CB 3.25Å; L273-A277 WeakPolarHBondContact O-CB 3.33Å; L273-A277 PolarHBondContact O-N 3.38Å |
| 274 | A | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.008 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | W266 E270 Q271 Q276 A277 I278 I292 F303 | W266-A274 HydrophobicContact CH2-CB 4.45Å; W266-A274 HydrophobicContact CZ3-CB 4.01Å; E270-A274 WeakPolarHBondContact O-CB 3.29Å; E270-A274 PolarHBondContact O-N 2.98Å; Q271-A274 WeakPolarHBondContact O-CB 3.36Å; Q271-A274 PolarHBondContact O-N 3.26Å; A274-Q276 PolarHBondContact O-N 2.82Å; A274-A277 PolarHBondContact O-N 2.87Å; A274-I278 WeakPolarHBondContact O-CG1 3.44Å; A274-I278 PolarHBondContact O-N 2.89Å; A274-I292 HydrophobicContact CB-CD1 3.79Å; A274-F303 HydrophobicContact CB-CD1 4.11Å; A274-F303 HydrophobicContact CB-CE1 3.68Å; A274-F303 HydrophobicContact CB-CE2 4.45Å; A274-F303 HydrophobicContact CB-CZ 3.87Å |
| 275 | V | 98.4 | Very high | 97.9 | Very high | 33 Ų | 33 | 67.6 Ų | 67.6 | 20% | 0.2 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62 | -43.5 | 178.7 | 175 | 0 | 0 | 0 | 0 | 111.6 | Q271 L272 L273 I278 R279 F303 F311 V316 | Q271-V275 WeakPolarHBondContact O-CG2 3.49Å; Q271-V275 PolarHBondContact O-N 3.15Å; L272-V275 PolarHBondContact O-N 3.14Å; L273-V275 PolarHBondContact O-N 3.48Å; V275-I278 PolarHBondContact O-N 3.5Å; V275-R279 PolarHBondContact O-N 3.21Å; V275-F303 HydrophobicContact CG2-CE1 4.49Å; V275-F303 HydrophobicContact CG2-CZ 4.39Å; V275-F311 HydrophobicContact CG2-CB 3.77Å; V275-F311 HydrophobicContact CG2-CD1 4.24Å; V275-F311 HydrophobicContact CG2-CD2 3.79Å; V275-F311 HydrophobicContact CG2-CE2 4.44Å; V275-F311 HydrophobicContact CG2-CG 3.7Å; V275-V316 HydrophobicContact CG1-CG2 4.4Å |
| 276 | Q | 98.2 | Very high | 98 | Very high | 125 Ų | 125 | 62.9 Ų | 62.9 | 58% | 0.584 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.8 | -40.5 | 175.3 | -72.6 | 172.5 | 77.8 | 0 | 0 | 112.3 | L272 L273 A274 R279 K280 | L272-Q276 WeakPolarHBondContact O-CG 3.39Å; L272-Q276 PolarHBondContact O-N 3.06Å; L272-Q276 VanDerWaalsContact O-N 3.11Å; L272-Q276 PolarHBondContact O-NE2 3.35Å; L272-Q276 VanDerWaalsContact O-NE2 3.14Å; L273-Q276 PolarHBondContact O-N 2.92Å; A274-Q276 PolarHBondContact O-N 2.82Å; Q276-R279 WeakPolarHBondContact O-CB 3.43Å; Q276-R279 PolarHBondContact O-N 3.29Å; Q276-K280 PolarHBondContact O-N 3.19Å; Q276-K280 VanDerWaalsContact O-N 3.09Å |
| 277 | A | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 3% | 0.025 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L273 A274 R279 K280 Y281 I288 V291 | L273-A277 VanDerWaalsContact O-CB 3.25Å; L273-A277 WeakPolarHBondContact O-CB 3.33Å; L273-A277 PolarHBondContact O-N 3.38Å; A274-A277 PolarHBondContact O-N 2.87Å; A277-R279 VanDerWaalsContact C-N 3.31Å; A277-R279 PolarHBondContact O-N 3.26Å; A277-K280 PolarHBondContact O-N 3.42Å; A277-Y281 HydrophobicContact CB-CD2 4.1Å; A277-Y281 HydrophobicContact CB-CE2 4.5Å; A277-Y281 WeakPolarHBondContact O-CB 3.42Å; A277-Y281 WeakPolarHBondContact O-CD2 3.32Å; A277-Y281 PolarHBondContact O-N 3.42Å; A277-I288 HydrophobicContact CB-CB 4.24Å; A277-I288 HydrophobicContact CB-CG1 3.94Å; A277-I288 HydrophobicContact CB-CG2 3.96Å; A277-V291 HydrophobicContact CB-CB 4.39Å; A277-V291 HydrophobicContact CB-CG1 4.14Å |
| 278 | I | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 173.7 | -65.8 | 166.8 | 0 | 0 | 0 | 110.5 | A274 V275 K280 G282 I288 F303 F304 I313 V316 L317 | A274-I278 WeakPolarHBondContact O-CG1 3.44Å; A274-I278 PolarHBondContact O-N 2.89Å; V275-I278 PolarHBondContact O-N 3.5Å; I278-K280 PolarHBondContact O-N 3Å; I278-G282 VanDerWaalsContact O-CA 3.23Å; I278-G282 WeakPolarHBondContact O-CA 3.27Å; I278-G282 PolarHBondContact O-N 3.01Å; I278-I288 HydrophobicContact CG1-CD1 3.92Å; I278-F303 HydrophobicContact CD1-CD1 4.23Å; I278-F303 HydrophobicContact CD1-CE1 4.05Å; I278-F304 HydrophobicContact CB-CZ 4.34Å; I278-F304 HydrophobicContact CD1-CD2 4.03Å; I278-F304 HydrophobicContact CD1-CE1 4.33Å; I278-F304 HydrophobicContact CD1-CE2 3.56Å; I278-F304 HydrophobicContact CD1-CZ 3.76Å; I278-F304 HydrophobicContact CG1-CE1 4.32Å; I278-F304 HydrophobicContact CG1-CE2 3.57Å; I278-F304 HydrophobicContact CG1-CZ 3.48Å; I278-F304 VanDerWaalsContact CG1-CZ 3.48Å; I278-F304 HydrophobicContact CG2-CE1 4.17Å; I278-F304 HydrophobicContact CG2-CZ 4Å; I278-I313 HydrophobicContact CD1-CD1 4.37Å; I278-I313 HydrophobicContact CD1-CG2 4.33Å; I278-I313 HydrophobicContact CG2-CG2 4.29Å; I278-V316 HydrophobicContact CB-CG1 4.34Å; I278-V316 HydrophobicContact CG2-CG1 3.93Å; I278-L317 HydrophobicContact CG2-CD2 3.79Å; I278-L317 HydrophobicContact CG2-CG 4.02Å |
| 279 | R | 97.4 | Very high | 98 | Very high | 65 Ų | 65 | 54.5 Ų | 54.5 | 25% | 0.245 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -30.8 | 177.9 | -177.1 | 51.7 | -178 | 75 | 1.8 | 113.5 | V275 Q276 A277 V316 E319 E323 | V275-R279 PolarHBondContact O-N 3.21Å; Q276-R279 WeakPolarHBondContact O-CB 3.43Å; Q276-R279 PolarHBondContact O-N 3.29Å; A277-R279 VanDerWaalsContact C-N 3.31Å; A277-R279 PolarHBondContact O-N 3.26Å; R279-V316 HydrophobicContact CB-CG1 3.62Å; R279-V316 HydrophobicContact CG-CG1 4.34Å; R279-E319 WeakPolarHBondContact CD-OE2 3.47Å; R279-E319 IonicContact CZ-OE2 3.54Å; R279-E319 VanDerWaalsContact NE-CB 3.32Å; R279-E319 IonicContact NE-OE2 3.69Å; R279-E319 PolarHBondContact NE-OE2 2.9Å; R279-E319 IonicContact NH2-OE2 3.52Å; R279-E323 IonicContact CZ-OE1 3.03Å; R279-E323 IonicContact CZ-OE2 3.53Å; R279-E323 VanDerWaalsContact NH1-CD 3.34Å; R279-E323 IonicContact NH1-OE1 2.8Å; R279-E323 IonicContact NH1-OE2 3.23Å; R279-E323 PolarHBondContact NH1-OE2 3.45Å; R279-E323 IonicContact NH2-OE1 3.39Å; R279-E323 PolarHBondContact NH2-OE1 3.16Å; R279-E323 IonicContact NH2-OE2 2.69Å; R279-E323 PolarHBondContact NH2-OE2 3.08Å |
| 280 | K | 97.1 | Very high | 98 | Very high | 130 Ų | 130 | 53.8 Ų | 53.8 | 57% | 0.565 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -91.2 | -37.3 | -177.5 | -174.7 | 173.6 | 178.7 | 68.5 | 0 | 113.6 | Q276 A277 I278 W320 | Q276-K280 PolarHBondContact O-N 3.19Å; Q276-K280 VanDerWaalsContact O-N 3.09Å; A277-K280 PolarHBondContact O-N 3.42Å; I278-K280 PolarHBondContact O-N 3Å; K280-W320 PolarHBondContact O-NE1 2.89Å; K280-W320 VanDerWaalsContact O-NE1 3.13Å |
| 281 | Y | 97.5 | Very high | 97.9 | Very high | 82 Ų | 82 | 55.9 Ų | 55.9 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -115.3 | -3.1 | -169.9 | -58.1 | -73.1 | 0 | 0 | 0 | 113.6 | A277 R283 D284 A287 V291 | A277-Y281 HydrophobicContact CB-CD2 4.1Å; A277-Y281 HydrophobicContact CB-CE2 4.5Å; A277-Y281 WeakPolarHBondContact O-CB 3.42Å; A277-Y281 WeakPolarHBondContact O-CD2 3.32Å; A277-Y281 PolarHBondContact O-N 3.42Å; Y281-R283 PolarHBondContact O-N 3.34Å; Y281-R283 VanDerWaalsContact O-N 3.07Å; Y281-D284 PolarHBondContact O-N 3.35Å; Y281-D284 VanDerWaalsContact O-N 3.09Å; Y281-A287 HydrophobicContact CD1-CB 3.81Å; Y281-A287 HydrophobicContact CD2-CB 4.39Å; Y281-A287 HydrophobicContact CE1-CB 4.24Å; Y281-A287 HydrophobicContact CG-CB 3.9Å; Y281-V291 HydrophobicContact CD2-CG2 4.49Å; Y281-V291 HydrophobicContact CE2-CG2 3.71Å |
| 282 | G | 96.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | -111.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | I278 | I278-G282 VanDerWaalsContact O-CA 3.23Å; I278-G282 WeakPolarHBondContact O-CA 3.27Å; I278-G282 PolarHBondContact O-N 3.01Å |
| 283 | R | 97.4 | Very high | 97.8 | Very high | 118 Ų | 118 | 52.1 Ų | 52.1 | 45% | 0.445 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 13 | -178.6 | -64 | 178.6 | -177.4 | 81 | -4.1 | 113.6 | Y281 F285 L317 E321 | Y281-R283 PolarHBondContact O-N 3.34Å; Y281-R283 VanDerWaalsContact O-N 3.07Å; R283-F285 HydrophobicContact CB-CE2 4.49Å; R283-F285 HydrophobicContact CB-CZ 4.2Å; R283-F285 WeakPolarHBondContact O-CD2 3.31Å; R283-F285 WeakPolarHBondContact O-CE2 3.42Å; R283-F285 WeakPolarHBondContact O-CG 3.35Å; R283-F285 PolarHBondContact O-N 3.16Å; R283-L317 HydrophobicContact CG-CD2 3.99Å; R283-E321 IonicContact CZ-OE1 2.73Å; R283-E321 IonicContact NH1-OE1 2.73Å; R283-E321 PolarHBondContact NH1-OE1 3Å; R283-E321 IonicContact NH2-OE1 3.11Å; R283-E321 PolarHBondContact NH2-OE1 3.31Å |
| 284 | D | 98 | Very high | 97.7 | Very high | 81 Ų | 81 | 49.8 Ų | 49.8 | 43% | 0.433 | 25% | 0.245 | S | C | . | . | trans | -72 | 85.1 | 169.2 | -170.9 | -16 | 0 | 0 | 0 | 110.1 | Y281 Q286 A287 I288 | Y281-D284 PolarHBondContact O-N 3.35Å; Y281-D284 VanDerWaalsContact O-N 3.09Å; D284-Q286 PolarHBondContact O-N 2.79Å; D284-Q286 WeakPolarHBondContact OD1-CB 3.45Å; D284-Q286 PolarHBondContact OD1-N 3.02Å; D284-A287 HydrophobicContact CB-CB 4.03Å; D284-A287 PolarHBondContact O-N 3.34Å; D284-A287 PolarHBondContact OD1-N 3.1Å; D284-I288 WeakPolarHBondContact O-CD1 3.47Å; D284-I288 VanDerWaalsContact O-CG1 3.25Å; D284-I288 WeakPolarHBondContact O-CG1 3.49Å; D284-I288 PolarHBondContact O-N 3.37Å | ||
| 285 | F | 98.3 | Very high | 97.7 | Very high | 53 Ų | 53 | 49.7 Ų | 49.7 | 23% | 0.232 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.6 | -23.3 | -179.3 | -53.4 | -65.2 | 0 | 0 | 0 | 112.7 | R283 S289 V297 V300 K301 F304 | R283-F285 HydrophobicContact CB-CE2 4.49Å; R283-F285 HydrophobicContact CB-CZ 4.2Å; R283-F285 WeakPolarHBondContact O-CD2 3.31Å; R283-F285 WeakPolarHBondContact O-CE2 3.42Å; R283-F285 WeakPolarHBondContact O-CG 3.35Å; R283-F285 PolarHBondContact O-N 3.16Å; F285-S289 VanDerWaalsContact O-CB 3.23Å; F285-S289 WeakPolarHBondContact O-CB 3.48Å; F285-S289 PolarHBondContact O-N 3.41Å; F285-V297 HydrophobicContact CB-CG1 3.79Å; F285-V300 HydrophobicContact CB-CG1 4.5Å; F285-V300 HydrophobicContact CD1-CG1 4.09Å; F285-K301 HydrophobicContact CD1-CG 3.88Å; F285-K301 HydrophobicContact CD2-CD 4.36Å; F285-K301 HydrophobicContact CD2-CG 4.05Å; F285-K301 HydrophobicContact CE1-CG 4.03Å; F285-K301 HydrophobicContact CE2-CG 4.19Å; F285-K301 HydrophobicContact CG-CG 3.88Å; F285-K301 HydrophobicContact CZ-CG 4.19Å; F285-F304 HydrophobicContact CD1-CD2 4.39Å; F285-F304 AromaticContact CD1-CE2 3.95Å; F285-F304 HydrophobicContact CD1-CE2 3.95Å; F285-F304 HydrophobicContact CD1-CZ 4.22Å; F285-F304 HydrophobicContact CE1-CD1 4.32Å; F285-F304 HydrophobicContact CE1-CD2 4.03Å; F285-F304 HydrophobicContact CE1-CE1 4.09Å; F285-F304 AromaticContact CE1-CE2 3.78Å; F285-F304 HydrophobicContact CE1-CE2 3.78Å; F285-F304 HydrophobicContact CE1-CG 4.27Å; F285-F304 AromaticContact CE1-CZ 3.79Å; F285-F304 HydrophobicContact CE1-CZ 3.79Å |
| 286 | Q | 98.3 | Very high | 97.7 | Very high | 96 Ų | 96 | 49.6 Ų | 49.6 | 45% | 0.449 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -74.1 | -51.1 | 177 | -174.5 | 61.2 | 54.8 | 0 | 0 | 109.7 | D284 I288 S289 D290 V297 | D284-Q286 PolarHBondContact O-N 2.79Å; D284-Q286 WeakPolarHBondContact OD1-CB 3.45Å; D284-Q286 PolarHBondContact OD1-N 3.02Å; Q286-I288 VanDerWaalsContact C-N 3.27Å; Q286-I288 PolarHBondContact O-N 3.29Å; Q286-S289 WeakPolarHBondContact O-CA 3.49Å; Q286-S289 VanDerWaalsContact O-CB 3.23Å; Q286-S289 WeakPolarHBondContact O-CB 3.32Å; Q286-S289 PolarHBondContact O-N 3.48Å; Q286-D290 PolarHBondContact NE2-OD1 2.95Å; Q286-D290 PolarHBondContact NE2-OD2 3.25Å; Q286-D290 PolarHBondContact O-N 2.91Å; Q286-V297 VanDerWaalsContact OE1-CG2 3.26Å |
| 287 | A | 98.3 | Very high | 97.7 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.4 | -41.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y281 D284 D290 V291 | Y281-A287 HydrophobicContact CD1-CB 3.81Å; Y281-A287 HydrophobicContact CD2-CB 4.39Å; Y281-A287 HydrophobicContact CE1-CB 4.24Å; Y281-A287 HydrophobicContact CG-CB 3.9Å; D284-A287 HydrophobicContact CB-CB 4.03Å; D284-A287 PolarHBondContact O-N 3.34Å; D284-A287 PolarHBondContact OD1-N 3.1Å; A287-D290 PolarHBondContact O-N 3.17Å; A287-V291 VanDerWaalsContact O-CG2 3.25Å; A287-V291 WeakPolarHBondContact O-CG2 3.42Å; A287-V291 PolarHBondContact O-N 3.49Å |
| 288 | I | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 176.2 | -62.8 | 162.6 | 0 | 0 | 0 | 111.1 | A277 I278 D284 Q286 D290 V291 I292 V300 F304 | A277-I288 HydrophobicContact CB-CB 4.24Å; A277-I288 HydrophobicContact CB-CG1 3.94Å; A277-I288 HydrophobicContact CB-CG2 3.96Å; I278-I288 HydrophobicContact CG1-CD1 3.92Å; D284-I288 WeakPolarHBondContact O-CD1 3.47Å; D284-I288 VanDerWaalsContact O-CG1 3.25Å; D284-I288 WeakPolarHBondContact O-CG1 3.49Å; D284-I288 PolarHBondContact O-N 3.37Å; Q286-I288 VanDerWaalsContact C-N 3.27Å; Q286-I288 PolarHBondContact O-N 3.29Å; I288-D290 VanDerWaalsContact C-N 3.33Å; I288-D290 PolarHBondContact O-N 3.33Å; I288-V291 PolarHBondContact O-N 3.36Å; I288-I292 HydrophobicContact CG2-CD1 3.82Å; I288-I292 WeakPolarHBondContact O-CD1 3.25Å; I288-I292 VanDerWaalsContact O-CG1 3.28Å; I288-I292 WeakPolarHBondContact O-CG1 3.29Å; I288-I292 PolarHBondContact O-N 3.32Å; I288-V300 HydrophobicContact CB-CG1 3.98Å; I288-V300 HydrophobicContact CD1-CG1 4.48Å; I288-V300 HydrophobicContact CG2-CG1 3.51Å; I288-V300 HydrophobicContact CG2-CG2 4.17Å; I288-F304 HydrophobicContact CD1-CE2 3.96Å; I288-F304 HydrophobicContact CD1-CZ 3.91Å |
| 289 | S | 97.9 | Very high | 97.7 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 175.5 | -161.4 | 0 | 0 | 0 | 0 | 111.3 | F285 Q286 I292 G293 K295 V297 | F285-S289 VanDerWaalsContact O-CB 3.23Å; F285-S289 WeakPolarHBondContact O-CB 3.48Å; F285-S289 PolarHBondContact O-N 3.41Å; Q286-S289 WeakPolarHBondContact O-CA 3.49Å; Q286-S289 VanDerWaalsContact O-CB 3.23Å; Q286-S289 WeakPolarHBondContact O-CB 3.32Å; Q286-S289 PolarHBondContact O-N 3.48Å; S289-I292 PolarHBondContact O-N 3.18Å; S289-G293 PolarHBondContact O-N 3.29Å; S289-K295 PolarHBondContact OG-O 2.77Å; S289-V297 PolarHBondContact OG-N 2.85Å |
| 290 | D | 97.1 | Very high | 97.7 | Very high | 103 Ų | 103 | 48.5 Ų | 48.5 | 55% | 0.551 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -70 | -37.5 | -177.2 | -62.5 | -20.1 | 0 | 0 | 0 | 111.9 | Q286 A287 I288 G293 | Q286-D290 PolarHBondContact NE2-OD1 2.95Å; Q286-D290 PolarHBondContact NE2-OD2 3.25Å; Q286-D290 PolarHBondContact O-N 2.91Å; A287-D290 PolarHBondContact O-N 3.17Å; I288-D290 VanDerWaalsContact C-N 3.33Å; I288-D290 PolarHBondContact O-N 3.33Å; D290-G293 PolarHBondContact O-N 3.28Å |
| 291 | V | 97.3 | Very high | 97.8 | Very high | 63 Ų | 63 | 47.2 Ų | 47.2 | 38% | 0.382 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.3 | -39.7 | 174.9 | 169 | 0 | 0 | 0 | 0 | 111.8 | A277 Y281 A287 I288 | A277-V291 HydrophobicContact CB-CB 4.39Å; A277-V291 HydrophobicContact CB-CG1 4.14Å; Y281-V291 HydrophobicContact CD2-CG2 4.49Å; Y281-V291 HydrophobicContact CE2-CG2 3.71Å; A287-V291 VanDerWaalsContact O-CG2 3.25Å; A287-V291 WeakPolarHBondContact O-CG2 3.42Å; A287-V291 PolarHBondContact O-N 3.49Å; I288-V291 PolarHBondContact O-N 3.36Å |
| 292 | I | 97.4 | Very high | 97.8 | Very high | 12 Ų | 12 | 47.4 Ų | 47.4 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -76.7 | -29.7 | 177.2 | -57.7 | 161.4 | 0 | 0 | 0 | 110.6 | W266 E270 A274 I288 S289 N294 K295 V300 | W266-I292 HydrophobicContact CH2-CD1 3.88Å; W266-I292 HydrophobicContact CZ3-CD1 3.94Å; E270-I292 HydrophobicContact CB-CG2 4.34Å; E270-I292 HydrophobicContact CG-CG2 4.23Å; A274-I292 HydrophobicContact CB-CD1 3.79Å; I288-I292 HydrophobicContact CG2-CD1 3.82Å; I288-I292 WeakPolarHBondContact O-CD1 3.25Å; I288-I292 VanDerWaalsContact O-CG1 3.28Å; I288-I292 WeakPolarHBondContact O-CG1 3.29Å; I288-I292 PolarHBondContact O-N 3.32Å; S289-I292 PolarHBondContact O-N 3.18Å; I292-N294 PolarHBondContact O-N 3.04Å; I292-K295 HydrophobicContact CB-CB 4.42Å; I292-K295 HydrophobicContact CB-CG 4.4Å; I292-K295 HydrophobicContact CG2-CB 4.03Å; I292-K295 HydrophobicContact CG2-CG 3.51Å; I292-V300 HydrophobicContact CD1-CG2 4.22Å |
| 293 | G | 96.6 | Very high | 97.9 | Very high | 31 Ų | 31 | 47.5 Ų | 47.5 | 32% | 0.32 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 77.8 | -37.3 | 173 | 0 | 0 | 0 | 0 | 0 | 115.1 | S289 D290 | S289-G293 PolarHBondContact O-N 3.29Å; D290-G293 PolarHBondContact O-N 3.28Å |
| 294 | N | 97.3 | Very high | 97.9 | Very high | 24 Ų | 24 | 42.9 Ų | 42.9 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -116.3 | 15.9 | -175.3 | 77.5 | 1.8 | 0 | 0 | 0 | 114.4 | Q260 F262 N263 E270 I292 | Q260-N294 HydrophobicContact CB-CB 4.39Å; F262-N294 CarbonylContact C-O 3.38Å; F262-N294 VanDerWaalsContact CA-O 3.32Å; F262-N294 WeakPolarHBondContact CA-O 3.46Å; N263-N294 PolarHBondContact N-O 3.25Å; E270-N294 PolarHBondContact OE1-ND2 3.16Å; E270-N294 PolarHBondContact OE1-OD1 3.16Å; I292-N294 PolarHBondContact O-N 3.04Å |
| 295 | K | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -117.3 | 141.4 | 172.6 | -63.7 | -66.4 | 179.7 | -72.9 | 0 | 108.8 | F262 N263 R265 W266 E270 S289 I292 Q299 V300 | F262-K295 VanDerWaalsContact CD1-C 3.45Å; F262-K295 WeakPolarHBondContact CE1-O 3.46Å; N263-K295 VanDerWaalsContact O-CD 3.26Å; N263-K295 WeakPolarHBondContact O-CD 3.33Å; N263-K295 WeakPolarHBondContact O-CE 3.35Å; N263-K295 PolarHBondContact O-NZ 3.45Å; R265-K295 VanDerWaalsContact O-CE 3.3Å; R265-K295 WeakPolarHBondContact O-CE 3.33Å; R265-K295 PolarHBondContact O-NZ 2.94Å; W266-K295 HydrophobicContact CD2-CD 4.19Å; W266-K295 HydrophobicContact CE3-CD 4.42Å; W266-K295 HydrophobicContact CE3-CG 4.43Å; W266-K295 HydrophobicContact CH2-CB 4.15Å; W266-K295 HydrophobicContact CH2-CD 3.99Å; W266-K295 HydrophobicContact CH2-CG 3.59Å; W266-K295 HydrophobicContact CZ2-CB 4.33Å; W266-K295 HydrophobicContact CZ2-CD 3.68Å; W266-K295 HydrophobicContact CZ2-CG 3.8Å; W266-K295 HydrophobicContact CZ3-CD 4.33Å; W266-K295 HydrophobicContact CZ3-CG 3.91Å; E270-K295 IonicContact OE1-NZ 2.75Å; E270-K295 PolarHBondContact OE1-NZ 2.84Å; E270-K295 VanDerWaalsContact OE1-NZ 3.11Å; E270-K295 WeakPolarHBondContact OE2-CE 3.44Å; E270-K295 IonicContact OE2-NZ 2.71Å; E270-K295 PolarHBondContact OE2-NZ 3.19Å; S289-K295 PolarHBondContact OG-O 2.77Å; I292-K295 HydrophobicContact CB-CB 4.42Å; I292-K295 HydrophobicContact CB-CG 4.4Å; I292-K295 HydrophobicContact CG2-CB 4.03Å; I292-K295 HydrophobicContact CG2-CG 3.51Å; K295-Q299 HydrophobicContact CB-CB 4.4Å; K295-Q299 HydrophobicContact CD-CB 4.39Å; K295-V300 HydrophobicContact CB-CG2 4.29Å |
| 296 | S | 97.8 | Very high | 97.9 | Very high | 31 Ų | 31 | 46.9 Ų | 46.9 | 22% | 0.217 | 26% | 0.263 | C | S | . | . | trans | -84 | 159.3 | 173.4 | 74 | 0 | 0 | 0 | 0 | 111 | V298 Q299 V300 | S296-V298 PolarHBondContact O-N 3.48Å; S296-V298 VanDerWaalsContact O-N 3.1Å; S296-Q299 WeakPolarHBondContact O-CA 3.44Å; S296-Q299 WeakPolarHBondContact O-CB 3.42Å; S296-Q299 PolarHBondContact O-N 3.32Å; S296-Q299 WeakPolarHBondContact OG-CG 3.32Å; S296-Q299 PolarHBondContact OG-N 2.79Å; S296-Q299 PolarHBondContact OG-OE1 3.06Å; S296-V300 PolarHBondContact O-N 2.96Å | ||
| 297 | V | 98.2 | Very high | 97.8 | Very high | 39 Ų | 39 | 43.9 Ų | 43.9 | 24% | 0.236 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -50.4 | -37.9 | 175 | 175.6 | 0 | 0 | 0 | 0 | 112.5 | F285 Q286 S289 V300 K301 | F285-V297 HydrophobicContact CB-CG1 3.79Å; Q286-V297 VanDerWaalsContact OE1-CG2 3.26Å; S289-V297 PolarHBondContact OG-N 2.85Å; V297-V300 PolarHBondContact O-N 3.07Å; V297-K301 WeakPolarHBondContact O-CG 3.47Å; V297-K301 PolarHBondContact O-N 3.47Å |
| 298 | V | 98.2 | Very high | 97.8 | Very high | 92 Ų | 92 | 49 Ų | 49 | 56% | 0.558 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -68.4 | -41.6 | 177.8 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | S296 V300 K301 N302 | S296-V298 PolarHBondContact O-N 3.48Å; S296-V298 VanDerWaalsContact O-N 3.1Å; V298-V300 VanDerWaalsContact C-N 3.31Å; V298-V300 PolarHBondContact O-N 3.45Å; V298-K301 PolarHBondContact O-N 2.96Å; V298-N302 VanDerWaalsContact O-CG 3.32Å; V298-N302 PolarHBondContact O-N 3.22Å; V298-N302 PolarHBondContact O-ND2 3.17Å |
| 299 | Q | 98.2 | Very high | 97.7 | Very high | 39 Ų | 39 | 60 Ų | 60 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.8 | -37.1 | 176.1 | -67.8 | 171.3 | -44.3 | 0 | 0 | 111.5 | N263 W266 K295 S296 N302 F303 | N263-Q299 PolarHBondContact O-NE2 3Å; W266-Q299 HydrophobicContact CZ2-CB 4.4Å; K295-Q299 HydrophobicContact CB-CB 4.4Å; K295-Q299 HydrophobicContact CD-CB 4.39Å; S296-Q299 WeakPolarHBondContact O-CA 3.44Å; S296-Q299 WeakPolarHBondContact O-CB 3.42Å; S296-Q299 PolarHBondContact O-N 3.32Å; S296-Q299 WeakPolarHBondContact OG-CG 3.32Å; S296-Q299 PolarHBondContact OG-N 2.79Å; S296-Q299 PolarHBondContact OG-OE1 3.06Å; Q299-N302 PolarHBondContact O-N 3.36Å; Q299-F303 PolarHBondContact O-N 3.22Å |
| 300 | V | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.012 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 173.4 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | F285 I288 I292 K295 S296 V297 V298 N302 F303 F304 | F285-V300 HydrophobicContact CB-CG1 4.5Å; F285-V300 HydrophobicContact CD1-CG1 4.09Å; I288-V300 HydrophobicContact CB-CG1 3.98Å; I288-V300 HydrophobicContact CD1-CG1 4.48Å; I288-V300 HydrophobicContact CG2-CG1 3.51Å; I288-V300 HydrophobicContact CG2-CG2 4.17Å; I292-V300 HydrophobicContact CD1-CG2 4.22Å; K295-V300 HydrophobicContact CB-CG2 4.29Å; S296-V300 PolarHBondContact O-N 2.96Å; V297-V300 PolarHBondContact O-N 3.07Å; V298-V300 VanDerWaalsContact C-N 3.31Å; V298-V300 PolarHBondContact O-N 3.45Å; V300-N302 VanDerWaalsContact C-N 3.29Å; V300-N302 PolarHBondContact O-N 3.21Å; V300-F303 WeakPolarHBondContact O-CA 3.22Å; V300-F303 VanDerWaalsContact O-CB 3.25Å; V300-F303 WeakPolarHBondContact O-CB 3.39Å; V300-F303 PolarHBondContact O-N 3.36Å; V300-F304 HydrophobicContact CG1-CD2 4.28Å; V300-F304 HydrophobicContact CG1-CE2 3.97Å; V300-F304 WeakPolarHBondContact O-CD2 3.46Å; V300-F304 PolarHBondContact O-N 2.95Å; V300-F304 VanDerWaalsContact O-N 3.14Å |
| 301 | K | 98.3 | Very high | 97.7 | Very high | 103 Ų | 103 | 64.9 Ų | 64.9 | 45% | 0.448 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.3 | -41.4 | 175.2 | -73 | 177.3 | -179.7 | -177.5 | 0 | 112.4 | F285 V297 V298 F303 F304 V305 | F285-K301 HydrophobicContact CD1-CG 3.88Å; F285-K301 HydrophobicContact CD2-CD 4.36Å; F285-K301 HydrophobicContact CD2-CG 4.05Å; F285-K301 HydrophobicContact CE1-CG 4.03Å; F285-K301 HydrophobicContact CE2-CG 4.19Å; F285-K301 HydrophobicContact CG-CG 3.88Å; F285-K301 HydrophobicContact CZ-CG 4.19Å; V297-K301 WeakPolarHBondContact O-CG 3.47Å; V297-K301 PolarHBondContact O-N 3.47Å; V298-K301 PolarHBondContact O-N 2.96Å; K301-F303 VanDerWaalsContact C-N 3.3Å; K301-F303 PolarHBondContact O-N 3.45Å; K301-F304 WeakPolarHBondContact O-CB 3.29Å; K301-F304 PolarHBondContact O-N 3.35Å; K301-V305 PolarHBondContact O-N 3.46Å |
| 302 | N | 98.2 | Very high | 97.7 | Very high | 85 Ų | 85 | 65.6 Ų | 65.6 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.4 | -34.6 | 175.2 | -70.8 | -17.3 | 0 | 0 | 0 | 112 | V298 Q299 V300 F304 V305 N306 | V298-N302 VanDerWaalsContact O-CG 3.32Å; V298-N302 PolarHBondContact O-N 3.22Å; V298-N302 PolarHBondContact O-ND2 3.17Å; Q299-N302 PolarHBondContact O-N 3.36Å; V300-N302 VanDerWaalsContact C-N 3.29Å; V300-N302 PolarHBondContact O-N 3.21Å; N302-F304 VanDerWaalsContact C-N 3.35Å; N302-F304 PolarHBondContact O-N 3.23Å; N302-V305 PolarHBondContact O-N 2.9Å; N302-N306 WeakPolarHBondContact O-CB 3.38Å; N302-N306 PolarHBondContact O-N 3.18Å; N302-N306 PolarHBondContact O-ND2 3.4Å |
| 303 | F | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.009 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 174.7 | 179.9 | -91 | 0 | 0 | 0 | 111.6 | W266 Q271 A274 V275 I278 Q299 V300 K301 V305 N306 Y307 F311 I313 | W266-F303 AromaticContact CD2-CD2 3.96Å; W266-F303 HydrophobicContact CD2-CD2 3.96Å; W266-F303 HydrophobicContact CD2-CE2 4.48Å; W266-F303 AromaticContact CE2-CD2 3.93Å; W266-F303 AromaticContact CE3-CD2 4Å; W266-F303 HydrophobicContact CE3-CD2 4Å; W266-F303 HydrophobicContact CE3-CE2 4.23Å; W266-F303 HydrophobicContact CH2-CB 4.04Å; W266-F303 AromaticContact CH2-CD2 3.97Å; W266-F303 HydrophobicContact CH2-CD2 3.97Å; W266-F303 HydrophobicContact CH2-CG 4.06Å; W266-F303 HydrophobicContact CZ2-CB 3.72Å; W266-F303 AromaticContact CZ2-CD2 3.95Å; W266-F303 HydrophobicContact CZ2-CD2 3.95Å; W266-F303 HydrophobicContact CZ2-CG 4.1Å; W266-F303 AromaticContact CZ3-CD2 4Å; W266-F303 HydrophobicContact CZ3-CD2 4Å; W266-F303 HydrophobicContact CZ3-CE2 4.36Å; W266-F303 HydrophobicContact CZ3-CG 4.45Å; Q271-F303 HydrophobicContact CB-CE2 4.18Å; Q271-F303 HydrophobicContact CB-CZ 4.37Å; Q271-F303 HydrophobicContact CG-CE2 3.94Å; A274-F303 HydrophobicContact CB-CD1 4.11Å; A274-F303 HydrophobicContact CB-CE1 3.68Å; A274-F303 HydrophobicContact CB-CE2 4.45Å; A274-F303 HydrophobicContact CB-CZ 3.87Å; V275-F303 HydrophobicContact CG2-CE1 4.49Å; V275-F303 HydrophobicContact CG2-CZ 4.39Å; I278-F303 HydrophobicContact CD1-CD1 4.23Å; I278-F303 HydrophobicContact CD1-CE1 4.05Å; Q299-F303 PolarHBondContact O-N 3.22Å; V300-F303 WeakPolarHBondContact O-CA 3.22Å; V300-F303 VanDerWaalsContact O-CB 3.25Å; V300-F303 WeakPolarHBondContact O-CB 3.39Å; V300-F303 PolarHBondContact O-N 3.36Å; K301-F303 VanDerWaalsContact C-N 3.3Å; K301-F303 PolarHBondContact O-N 3.45Å; F303-V305 PolarHBondContact O-N 2.98Å; F303-N306 PolarHBondContact O-N 3.44Å; F303-Y307 HydrophobicContact CB-CD2 4.5Å; F303-Y307 AromaticContact CD2-CD2 3.29Å; F303-Y307 HydrophobicContact CD2-CD2 3.29Å; F303-Y307 AromaticContact CD2-CE2 3.62Å; F303-Y307 HydrophobicContact CD2-CE2 3.62Å; F303-Y307 AromaticContact CD2-CG 3.86Å; F303-Y307 HydrophobicContact CD2-CG 3.86Å; F303-Y307 AromaticContact CE2-CD1 3.97Å; F303-Y307 HydrophobicContact CE2-CD1 3.97Å; F303-Y307 AromaticContact CE2-CD2 3.51Å; F303-Y307 HydrophobicContact CE2-CD2 3.51Å; F303-Y307 HydrophobicContact CE2-CE1 4.28Å; F303-Y307 AromaticContact CE2-CE2 3.9Å; F303-Y307 HydrophobicContact CE2-CE2 3.9Å; F303-Y307 AromaticContact CE2-CG 3.57Å; F303-Y307 HydrophobicContact CE2-CG 3.57Å; F303-Y307 AromaticContact CG-CD2 3.96Å; F303-Y307 HydrophobicContact CG-CD2 3.96Å; F303-Y307 HydrophobicContact CZ-CD2 4.36Å; F303-Y307 HydrophobicContact CZ-CG 4.08Å; F303-Y307 WeakPolarHBondContact O-CB 3.36Å; F303-Y307 PolarHBondContact O-N 3.27Å; F303-F311 HydrophobicContact CE1-CD2 4.36Å; F303-F311 HydrophobicContact CE2-CD2 4.41Å; F303-F311 HydrophobicContact CE2-CE2 4.05Å; F303-F311 AromaticContact CZ-CD2 3.67Å; F303-F311 HydrophobicContact CZ-CD2 3.67Å; F303-F311 AromaticContact CZ-CE2 3.66Å; F303-F311 HydrophobicContact CZ-CE2 3.66Å; F303-I313 HydrophobicContact CD1-CD1 4.41Å; F303-I313 HydrophobicContact CE1-CD1 4.22Å |
| 304 | F | 98.2 | Very high | 97.7 | Very high | 21 Ų | 21 | 67.1 Ų | 67.1 | 9% | 0.092 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.9 | -39.5 | 176.4 | -87.2 | -116.1 | 0 | 0 | 0 | 112.7 | I278 F285 I288 V300 K301 N302 R308 I313 L317 | I278-F304 HydrophobicContact CB-CZ 4.34Å; I278-F304 HydrophobicContact CD1-CD2 4.03Å; I278-F304 HydrophobicContact CD1-CE1 4.33Å; I278-F304 HydrophobicContact CD1-CE2 3.56Å; I278-F304 HydrophobicContact CD1-CZ 3.76Å; I278-F304 HydrophobicContact CG1-CE1 4.32Å; I278-F304 HydrophobicContact CG1-CE2 3.57Å; I278-F304 HydrophobicContact CG1-CZ 3.48Å; I278-F304 VanDerWaalsContact CG1-CZ 3.48Å; I278-F304 HydrophobicContact CG2-CE1 4.17Å; I278-F304 HydrophobicContact CG2-CZ 4Å; F285-F304 HydrophobicContact CD1-CD2 4.39Å; F285-F304 AromaticContact CD1-CE2 3.95Å; F285-F304 HydrophobicContact CD1-CE2 3.95Å; F285-F304 HydrophobicContact CD1-CZ 4.22Å; F285-F304 HydrophobicContact CE1-CD1 4.32Å; F285-F304 HydrophobicContact CE1-CD2 4.03Å; F285-F304 HydrophobicContact CE1-CE1 4.09Å; F285-F304 AromaticContact CE1-CE2 3.78Å; F285-F304 HydrophobicContact CE1-CE2 3.78Å; F285-F304 HydrophobicContact CE1-CG 4.27Å; F285-F304 AromaticContact CE1-CZ 3.79Å; F285-F304 HydrophobicContact CE1-CZ 3.79Å; I288-F304 HydrophobicContact CD1-CE2 3.96Å; I288-F304 HydrophobicContact CD1-CZ 3.91Å; V300-F304 HydrophobicContact CG1-CD2 4.28Å; V300-F304 HydrophobicContact CG1-CE2 3.97Å; V300-F304 WeakPolarHBondContact O-CD2 3.46Å; V300-F304 PolarHBondContact O-N 2.95Å; V300-F304 VanDerWaalsContact O-N 3.14Å; K301-F304 WeakPolarHBondContact O-CB 3.29Å; K301-F304 PolarHBondContact O-N 3.35Å; N302-F304 VanDerWaalsContact C-N 3.35Å; N302-F304 PolarHBondContact O-N 3.23Å; F304-R308 WeakPolarHBondContact O-CA 3.29Å; F304-R308 WeakPolarHBondContact O-CB 3.31Å; F304-R308 PolarHBondContact O-N 3.01Å; F304-I313 HydrophobicContact CD1-CG2 3.79Å; F304-I313 HydrophobicContact CE1-CG2 4.08Å; F304-I313 HydrophobicContact CG-CG2 4.43Å; F304-L317 HydrophobicContact CD1-CD1 4.38Å; F304-L317 HydrophobicContact CE1-CD1 4.01Å; F304-L317 HydrophobicContact CE1-CD2 4.22Å |
| 305 | V | 97.8 | Very high | 97.7 | Very high | 110 Ų | 110 | 71.2 Ų | 71.2 | 67% | 0.667 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -77 | -50.1 | 180 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | K301 N302 F303 Y307 | K301-V305 PolarHBondContact O-N 3.46Å; N302-V305 PolarHBondContact O-N 2.9Å; F303-V305 PolarHBondContact O-N 2.98Å; V305-Y307 VanDerWaalsContact C-N 3.33Å; V305-Y307 PolarHBondContact O-N 2.83Å |
| 306 | N | 97 | Very high | 97.7 | Very high | 108 Ų | 108 | 72.1 Ų | 72.1 | 58% | 0.578 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -72.5 | -24.7 | -171.9 | -67.5 | -18.1 | 0 | 0 | 0 | 113.9 | N302 F303 R310 | N302-N306 WeakPolarHBondContact O-CB 3.38Å; N302-N306 PolarHBondContact O-N 3.18Å; N302-N306 PolarHBondContact O-ND2 3.4Å; F303-N306 PolarHBondContact O-N 3.44Å; N306-R310 PolarHBondContact O-NH2 3.48Å |
| 307 | Y | 97.1 | Very high | 97.6 | Very high | 33 Ų | 33 | 70.9 Ų | 70.9 | 13% | 0.129 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 6 | -178.3 | -64.2 | -100.2 | 0 | 0 | 0 | 113 | F303 V305 R309 R310 F311 | F303-Y307 HydrophobicContact CB-CD2 4.5Å; F303-Y307 AromaticContact CD2-CD2 3.29Å; F303-Y307 HydrophobicContact CD2-CD2 3.29Å; F303-Y307 AromaticContact CD2-CE2 3.62Å; F303-Y307 HydrophobicContact CD2-CE2 3.62Å; F303-Y307 AromaticContact CD2-CG 3.86Å; F303-Y307 HydrophobicContact CD2-CG 3.86Å; F303-Y307 AromaticContact CE2-CD1 3.97Å; F303-Y307 HydrophobicContact CE2-CD1 3.97Å; F303-Y307 AromaticContact CE2-CD2 3.51Å; F303-Y307 HydrophobicContact CE2-CD2 3.51Å; F303-Y307 HydrophobicContact CE2-CE1 4.28Å; F303-Y307 AromaticContact CE2-CE2 3.9Å; F303-Y307 HydrophobicContact CE2-CE2 3.9Å; F303-Y307 AromaticContact CE2-CG 3.57Å; F303-Y307 HydrophobicContact CE2-CG 3.57Å; F303-Y307 AromaticContact CG-CD2 3.96Å; F303-Y307 HydrophobicContact CG-CD2 3.96Å; F303-Y307 HydrophobicContact CZ-CD2 4.36Å; F303-Y307 HydrophobicContact CZ-CG 4.08Å; F303-Y307 WeakPolarHBondContact O-CB 3.36Å; F303-Y307 PolarHBondContact O-N 3.27Å; V305-Y307 VanDerWaalsContact C-N 3.33Å; V305-Y307 PolarHBondContact O-N 2.83Å; Y307-R309 VanDerWaalsContact C-N 3.33Å; Y307-R309 PolarHBondContact O-N 3.42Å; Y307-R310 VanDerWaalsContact CE1-NH1 3.34Å; Y307-R310 VanDerWaalsContact CZ-NH2 3.27Å; Y307-R310 PolarHBondContact O-N 3.33Å; Y307-F311 AromaticContact CD1-CD2 3.93Å; Y307-F311 HydrophobicContact CD1-CD2 3.93Å; Y307-F311 AromaticContact CD1-CE2 3.36Å; Y307-F311 HydrophobicContact CD1-CE2 3.36Å; Y307-F311 HydrophobicContact CD1-CZ 4.2Å; Y307-F311 HydrophobicContact CE1-CE2 4.12Å; Y307-F311 HydrophobicContact CG-CD2 4.17Å; Y307-F311 AromaticContact CG-CE2 3.98Å; Y307-F311 HydrophobicContact CG-CE2 3.98Å; Y307-F311 PolarHBondContact O-N 3.4Å; Y307-F311 VanDerWaalsContact O-N 3.13Å |
| 308 | R | 97 | Very high | 97.5 | Very high | 126 Ų | 126 | 75.3 Ų | 75.3 | 48% | 0.475 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.6 | -54.3 | -177.5 | -166.1 | 177.4 | 172.2 | 100.4 | -9.2 | 113.7 | F304 N312 I313 D314 | F304-R308 WeakPolarHBondContact O-CA 3.29Å; F304-R308 WeakPolarHBondContact O-CB 3.31Å; F304-R308 PolarHBondContact O-N 3.01Å; R308-N312 PolarHBondContact O-N 2.83Å; R308-I313 PolarHBondContact O-N 3.26Å; R308-D314 IonicContact CZ-OD1 3.73Å; R308-D314 IonicContact CZ-OD2 3.98Å; R308-D314 IonicContact NE-OD1 4Å; R308-D314 PolarHBondContact NE-OD1 3.37Å; R308-D314 IonicContact NE-OD2 2.92Å; R308-D314 PolarHBondContact NE-OD2 2.75Å; R308-D314 IonicContact NH1-OD1 3.88Å; R308-D314 PolarHBondContact NH1-OD1 3.29Å; R308-D314 IonicContact NH1-OD2 2.99Å; R308-D314 IonicContact NH2-OD1 3.74Å; R308-D314 PolarHBondContact NH2-OD1 2.95Å; R308-D314 IonicContact NH2-OD2 3.45Å; R308-D314 PolarHBondContact NH2-OD2 3.33Å |
| 309 | R | 97.6 | Very high | 97.4 | Very high | 231 Ų | 231 | 75.8 Ų | 75.8 | 87% | 0.872 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -30.5 | -176.7 | -63.5 | -173.4 | -176.7 | 174 | 1.1 | 113.5 | Y307 | Y307-R309 VanDerWaalsContact C-N 3.33Å; Y307-R309 PolarHBondContact O-N 3.42Å |
| 310 | R | 96.6 | Very high | 97.3 | Very high | 155 Ų | 155 | 76.2 Ų | 76.2 | 59% | 0.585 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -30.1 | -174.5 | -76.9 | -170.1 | -74.5 | 164.6 | -7.7 | 112.8 | N306 Y307 | N306-R310 PolarHBondContact O-NH2 3.48Å; Y307-R310 VanDerWaalsContact CE1-NH1 3.34Å; Y307-R310 VanDerWaalsContact CZ-NH2 3.27Å; Y307-R310 PolarHBondContact O-N 3.33Å |
| 311 | F | 97.5 | Very high | 97.1 | Very high | 56 Ų | 56 | 78.6 Ų | 78.6 | 25% | 0.246 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 17.1 | 179.1 | -62 | -50.4 | 0 | 0 | 0 | 112.9 | Q271 V275 F303 Y307 I313 | Q271-F311 HydrophobicContact CB-CE2 4.08Å; Q271-F311 HydrophobicContact CB-CZ 4.06Å; V275-F311 HydrophobicContact CG2-CB 3.77Å; V275-F311 HydrophobicContact CG2-CD1 4.24Å; V275-F311 HydrophobicContact CG2-CD2 3.79Å; V275-F311 HydrophobicContact CG2-CE2 4.44Å; V275-F311 HydrophobicContact CG2-CG 3.7Å; F303-F311 HydrophobicContact CE1-CD2 4.36Å; F303-F311 HydrophobicContact CE2-CD2 4.41Å; F303-F311 HydrophobicContact CE2-CE2 4.05Å; F303-F311 AromaticContact CZ-CD2 3.67Å; F303-F311 HydrophobicContact CZ-CD2 3.67Å; F303-F311 AromaticContact CZ-CE2 3.66Å; F303-F311 HydrophobicContact CZ-CE2 3.66Å; Y307-F311 AromaticContact CD1-CD2 3.93Å; Y307-F311 HydrophobicContact CD1-CD2 3.93Å; Y307-F311 AromaticContact CD1-CE2 3.36Å; Y307-F311 HydrophobicContact CD1-CE2 3.36Å; Y307-F311 HydrophobicContact CD1-CZ 4.2Å; Y307-F311 HydrophobicContact CE1-CE2 4.12Å; Y307-F311 HydrophobicContact CG-CD2 4.17Å; Y307-F311 AromaticContact CG-CE2 3.98Å; Y307-F311 HydrophobicContact CG-CE2 3.98Å; Y307-F311 PolarHBondContact O-N 3.4Å; Y307-F311 VanDerWaalsContact O-N 3.13Å; F311-I313 HydrophobicContact CB-CG1 4.14Å; F311-I313 PolarHBondContact O-N 2.93Å; F311-I313 VanDerWaalsContact O-N 3.1Å |
| 312 | N | 97.3 | Very high | 96.9 | Very high | 78 Ų | 78 | 77.8 Ų | 77.8 | 42% | 0.417 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46 | 46.5 | 179.3 | -64.4 | 68.5 | 0 | 0 | 0 | 112.6 | R308 D314 E315 V316 | R308-N312 PolarHBondContact O-N 2.83Å; N312-D314 PolarHBondContact O-N 3.1Å; N312-E315 HydrophobicContact CB-CB 4.28Å; N312-E315 HydrophobicContact CB-CG 4.35Å; N312-E315 PolarHBondContact ND2-OE1 3.42Å; N312-E315 WeakPolarHBondContact O-CB 3.3Å; N312-E315 PolarHBondContact O-N 2.86Å; N312-V316 PolarHBondContact O-N 3.12Å; N312-V316 VanDerWaalsContact O-N 3.17Å |
| 313 | I | 97.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 79.5 Ų | 79.5 | 2% | 0.015 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.9 | -28.6 | -169.9 | -61.6 | -175.3 | 0 | 0 | 0 | 111.6 | I278 F303 F304 R308 F311 V316 L317 | I278-I313 HydrophobicContact CD1-CD1 4.37Å; I278-I313 HydrophobicContact CD1-CG2 4.33Å; I278-I313 HydrophobicContact CG2-CG2 4.29Å; F303-I313 HydrophobicContact CD1-CD1 4.41Å; F303-I313 HydrophobicContact CE1-CD1 4.22Å; F304-I313 HydrophobicContact CD1-CG2 3.79Å; F304-I313 HydrophobicContact CE1-CG2 4.08Å; F304-I313 HydrophobicContact CG-CG2 4.43Å; R308-I313 PolarHBondContact O-N 3.26Å; F311-I313 HydrophobicContact CB-CG1 4.14Å; F311-I313 PolarHBondContact O-N 2.93Å; F311-I313 VanDerWaalsContact O-N 3.1Å; I313-V316 PolarHBondContact O-N 3.44Å; I313-L317 HydrophobicContact CG2-CD1 3.95Å; I313-L317 HydrophobicContact CG2-CG 4.31Å; I313-L317 WeakPolarHBondContact O-CB 3.39Å; I313-L317 VanDerWaalsContact O-CG 3.23Å; I313-L317 WeakPolarHBondContact O-CG 3.43Å; I313-L317 PolarHBondContact O-N 2.84Å |
| 314 | D | 97.3 | Very high | 95.9 | Very high | 71 Ų | 71 | 84.5 Ų | 84.5 | 38% | 0.38 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 175.7 | -67.5 | -29.2 | 0 | 0 | 0 | 113.2 | R308 N312 L317 Q318 | R308-D314 IonicContact CZ-OD1 3.73Å; R308-D314 IonicContact CZ-OD2 3.98Å; R308-D314 IonicContact NE-OD1 4Å; R308-D314 PolarHBondContact NE-OD1 3.37Å; R308-D314 IonicContact NE-OD2 2.92Å; R308-D314 PolarHBondContact NE-OD2 2.75Å; R308-D314 IonicContact NH1-OD1 3.88Å; R308-D314 PolarHBondContact NH1-OD1 3.29Å; R308-D314 IonicContact NH1-OD2 2.99Å; R308-D314 IonicContact NH2-OD1 3.74Å; R308-D314 PolarHBondContact NH2-OD1 2.95Å; R308-D314 IonicContact NH2-OD2 3.45Å; R308-D314 PolarHBondContact NH2-OD2 3.33Å; N312-D314 PolarHBondContact O-N 3.1Å; D314-L317 PolarHBondContact O-N 2.98Å; D314-Q318 WeakPolarHBondContact O-CB 3.24Å; D314-Q318 PolarHBondContact O-N 2.7Å |
| 315 | E | 97.4 | Very high | 94.6 | Very high | 110 Ų | 110 | 85.2 Ų | 85.2 | 51% | 0.514 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.6 | -44 | 175.9 | -67.6 | 166.4 | -149.7 | 0 | 0 | 110 | N312 L317 Q318 E319 | N312-E315 HydrophobicContact CB-CB 4.28Å; N312-E315 HydrophobicContact CB-CG 4.35Å; N312-E315 PolarHBondContact ND2-OE1 3.42Å; N312-E315 WeakPolarHBondContact O-CB 3.3Å; N312-E315 PolarHBondContact O-N 2.86Å; E315-L317 VanDerWaalsContact C-N 3.28Å; E315-L317 PolarHBondContact O-N 3.44Å; E315-Q318 WeakPolarHBondContact O-CB 3.41Å; E315-Q318 PolarHBondContact O-N 3.35Å; E315-Q318 VanDerWaalsContact O-N 3.09Å; E315-E319 WeakPolarHBondContact O-CG 3.39Å; E315-E319 PolarHBondContact O-N 3.24Å |
| 316 | V | 97.4 | Very high | 92.7 | Very high | 20 Ų | 20 | 88.8 Ų | 88.8 | 12% | 0.121 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 176.6 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | V275 I278 R279 N312 I313 W320 | V275-V316 HydrophobicContact CG1-CG2 4.4Å; I278-V316 HydrophobicContact CB-CG1 4.34Å; I278-V316 HydrophobicContact CG2-CG1 3.93Å; R279-V316 HydrophobicContact CB-CG1 3.62Å; R279-V316 HydrophobicContact CG-CG1 4.34Å; N312-V316 PolarHBondContact O-N 3.12Å; N312-V316 VanDerWaalsContact O-N 3.17Å; I313-V316 PolarHBondContact O-N 3.44Å; V316-W320 PolarHBondContact O-N 3.36Å |
| 317 | L | 96.6 | Very high | 90.4 | Very high | 4 Ų | 4 | 91.5 Ų | 91.5 | 2% | 0.021 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -69.2 | -38.2 | 176.1 | -75 | 168.5 | 0 | 0 | 0 | 112.1 | I278 R283 F304 I313 D314 E315 E319 W320 E321 | I278-L317 HydrophobicContact CG2-CD2 3.79Å; I278-L317 HydrophobicContact CG2-CG 4.02Å; R283-L317 HydrophobicContact CG-CD2 3.99Å; F304-L317 HydrophobicContact CD1-CD1 4.38Å; F304-L317 HydrophobicContact CE1-CD1 4.01Å; F304-L317 HydrophobicContact CE1-CD2 4.22Å; I313-L317 HydrophobicContact CG2-CD1 3.95Å; I313-L317 HydrophobicContact CG2-CG 4.31Å; I313-L317 WeakPolarHBondContact O-CB 3.39Å; I313-L317 VanDerWaalsContact O-CG 3.23Å; I313-L317 WeakPolarHBondContact O-CG 3.43Å; I313-L317 PolarHBondContact O-N 2.84Å; D314-L317 PolarHBondContact O-N 2.98Å; E315-L317 VanDerWaalsContact C-N 3.28Å; E315-L317 PolarHBondContact O-N 3.44Å; L317-E319 VanDerWaalsContact C-N 3.31Å; L317-E319 PolarHBondContact O-N 3.44Å; L317-W320 PolarHBondContact O-N 3.11Å; L317-E321 VanDerWaalsContact O-CG 3.31Å; L317-E321 WeakPolarHBondContact O-CG 3.31Å; L317-E321 PolarHBondContact O-N 3.49Å |
| 318 | Q | 96.2 | Very high | 87.7 | Confident | 132 Ų | 132 | 99 Ų | 99 | 62% | 0.617 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.6 | -39.4 | 175.9 | -174.1 | 177.3 | 12.5 | 0 | 0 | 111.6 | D314 E315 E321 A322 | D314-Q318 WeakPolarHBondContact O-CB 3.24Å; D314-Q318 PolarHBondContact O-N 2.7Å; E315-Q318 WeakPolarHBondContact O-CB 3.41Å; E315-Q318 PolarHBondContact O-N 3.35Å; E315-Q318 VanDerWaalsContact O-N 3.09Å; Q318-E321 PolarHBondContact O-N 3.22Å; Q318-A322 WeakPolarHBondContact O-CB 3.47Å; Q318-A322 PolarHBondContact O-N 3.06Å |
| 319 | E | 95 | Very high | 85.1 | Confident | 102 Ų | 102 | 99.2 Ų | 99.2 | 48% | 0.477 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 174.2 | -69.1 | -178.3 | -173.5 | 0 | 0 | 112.1 | R279 E315 L317 A322 E323 | R279-E319 WeakPolarHBondContact CD-OE2 3.47Å; R279-E319 IonicContact CZ-OE2 3.54Å; R279-E319 VanDerWaalsContact NE-CB 3.32Å; R279-E319 IonicContact NE-OE2 3.69Å; R279-E319 PolarHBondContact NE-OE2 2.9Å; R279-E319 IonicContact NH2-OE2 3.52Å; E315-E319 WeakPolarHBondContact O-CG 3.39Å; E315-E319 PolarHBondContact O-N 3.24Å; L317-E319 VanDerWaalsContact C-N 3.31Å; L317-E319 PolarHBondContact O-N 3.44Å; E319-A322 PolarHBondContact O-N 3.18Å; E319-E323 PolarHBondContact O-N 3.31Å |
| 320 | W | 95.8 | Very high | 82 | Confident | 49 Ų | 49 | 95.7 Ų | 95.7 | 19% | 0.186 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 174.4 | 177.8 | 83.6 | 0 | 0 | 0 | 111.8 | K280 V316 L317 A322 E323 H324 | K280-W320 PolarHBondContact O-NE1 2.89Å; K280-W320 VanDerWaalsContact O-NE1 3.13Å; V316-W320 PolarHBondContact O-N 3.36Å; L317-W320 PolarHBondContact O-N 3.11Å; W320-A322 VanDerWaalsContact C-N 3.29Å; W320-A322 PolarHBondContact O-N 2.92Å; W320-E323 PolarHBondContact O-N 3.27Å; W320-H324 AromaticContact CD1-CE1 3.74Å; W320-H324 AromaticContact CD1-ND1 3.55Å; W320-H324 AromaticContact CE2-CG 3.97Å; W320-H324 AromaticContact CE2-ND1 3.97Å; W320-H324 HydrophobicContact CZ2-CB 4.19Å; W320-H324 AromaticContact NE1-CE1 3.67Å; W320-H324 AromaticContact NE1-CG 3.8Å; W320-H324 AromaticContact NE1-ND1 3.49Å; W320-H324 PolarHBondContact NE1-ND1 3.3Å; W320-H324 PolarHBondContact O-N 2.92Å; W320-H324 PolarHBondContact O-ND1 2.98Å; W320-H324 VanDerWaalsContact O-ND1 3.08Å |
| 321 | E | 94.7 | Very high | 79.1 | Confident | 52 Ų | 52 | 91.7 Ų | 91.7 | 24% | 0.243 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -63.5 | -33 | 177.6 | -71.5 | 172 | -165.3 | 0 | 0 | 112.3 | R283 L317 Q318 G325 | R283-E321 IonicContact CZ-OE1 2.73Å; R283-E321 IonicContact NH1-OE1 2.73Å; R283-E321 PolarHBondContact NH1-OE1 3Å; R283-E321 IonicContact NH2-OE1 3.11Å; R283-E321 PolarHBondContact NH2-OE1 3.31Å; L317-E321 VanDerWaalsContact O-CG 3.31Å; L317-E321 WeakPolarHBondContact O-CG 3.31Å; L317-E321 PolarHBondContact O-N 3.49Å; Q318-E321 PolarHBondContact O-N 3.22Å; E321-G325 CarbonylContact O-C 3.46Å; E321-G325 VanDerWaalsContact O-CA 3.3Å; E321-G325 WeakPolarHBondContact O-CA 3.3Å; E321-G325 PolarHBondContact O-N 3.39Å |
| 322 | A | 93.4 | Very high | 76 | Confident | 86 Ų | 86 | 95.4 Ų | 95.4 | 71% | 0.711 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69 | -33.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q318 E319 W320 | Q318-A322 WeakPolarHBondContact O-CB 3.47Å; Q318-A322 PolarHBondContact O-N 3.06Å; E319-A322 PolarHBondContact O-N 3.18Å; W320-A322 VanDerWaalsContact C-N 3.29Å; W320-A322 PolarHBondContact O-N 2.92Å |
| 323 | E | 91.3 | Very high | 73 | Confident | 121 Ų | 121 | 98.2 Ų | 98.2 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -83.1 | -36.5 | 179.1 | -72.8 | 179.7 | 173.2 | 0 | 0 | 113.6 | R279 E319 W320 | R279-E323 IonicContact CZ-OE1 3.03Å; R279-E323 IonicContact CZ-OE2 3.53Å; R279-E323 VanDerWaalsContact NH1-CD 3.34Å; R279-E323 IonicContact NH1-OE1 2.8Å; R279-E323 IonicContact NH1-OE2 3.23Å; R279-E323 PolarHBondContact NH1-OE2 3.45Å; R279-E323 IonicContact NH2-OE1 3.39Å; R279-E323 PolarHBondContact NH2-OE1 3.16Å; R279-E323 IonicContact NH2-OE2 2.69Å; R279-E323 PolarHBondContact NH2-OE2 3.08Å; E319-E323 PolarHBondContact O-N 3.31Å; W320-E323 PolarHBondContact O-N 3.27Å |
| 324 | H | 84.4 | Confident | 69.8 | Low | 107 Ų | 107 | 103.1 Ų | 103.1 | 50% | 0.495 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -100.2 | -4.9 | -173.3 | -62.8 | 75.4 | 0 | 0 | 0 | 113.1 | W320 | W320-H324 AromaticContact CD1-CE1 3.74Å; W320-H324 AromaticContact CD1-ND1 3.55Å; W320-H324 AromaticContact CE2-CG 3.97Å; W320-H324 AromaticContact CE2-ND1 3.97Å; W320-H324 HydrophobicContact CZ2-CB 4.19Å; W320-H324 AromaticContact NE1-CE1 3.67Å; W320-H324 AromaticContact NE1-CG 3.8Å; W320-H324 AromaticContact NE1-ND1 3.49Å; W320-H324 PolarHBondContact NE1-ND1 3.3Å; W320-H324 PolarHBondContact O-N 2.92Å; W320-H324 PolarHBondContact O-ND1 2.98Å; W320-H324 VanDerWaalsContact O-ND1 3.08Å |
| 325 | G | 71.7 | Confident | 66.8 | Low | 36 Ų | 36 | 108.8 Ų | 108.8 | 37% | 0.371 | 59% | 0.588 | S | S | . | * | trans | 74.4 | 156.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E321 E327 | E321-G325 CarbonylContact O-C 3.46Å; E321-G325 VanDerWaalsContact O-CA 3.3Å; E321-G325 WeakPolarHBondContact O-CA 3.3Å; E321-G325 PolarHBondContact O-N 3.39Å; G325-E327 VanDerWaalsContact C-N 3.28Å; G325-E327 PolarHBondContact O-N 2.99Å | ||
| 326 | K | 58.6 | Low | 63.7 | Low | 184 Ų | 184 | 112.3 Ų | 112.3 | 80% | 0.8 | 60% | 0.602 | S | S | * | * | trans | -71 | 85.4 | 170.8 | -72.8 | -176 | 177.6 | -179.4 | 0 | 109.2 | E328 | K326-E328 PolarHBondContact O-N 3.46Š| ||
| 327 | E | 48.2 | Very low | 60.6 | Low | 166 Ų | 166 | 117.2 Ų | 117.2 | 78% | 0.776 | 63% | 0.634 | S | S | * | * | trans | -70.6 | 111.9 | 160.2 | -80.4 | -164 | 150.4 | 0 | 0 | 108.2 | G325 T329 | G325-E327 VanDerWaalsContact C-N 3.28Å; G325-E327 PolarHBondContact O-N 2.99Å; E327-T329 PolarHBondContact O-N 3.02Å | ||
| 328 | E | 39.7 | Very low | 57.7 | Low | 189 Ų | 189 | 123.8 Ų | 123.8 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | trans | -56.1 | 105.1 | 169.6 | -70.8 | -170.1 | 156.5 | 0 | 0 | 109 | K326 N330 | K326-E328 PolarHBondContact O-N 3.46Å; E328-N330 VanDerWaalsContact C-N 3.29Å; E328-N330 PolarHBondContact O-N 3.23Å | ||
| 329 | T | 42 | Very low | 54.8 | Low | 132 Ų | 132 | 126.9 Ų | 126.9 | 81% | 0.81 | 69% | 0.685 | S | S | * | * | trans | -70.3 | 89.9 | 169.1 | 54.6 | 0 | 0 | 0 | 0 | 108.9 | E327 | E327-T329 PolarHBondContact O-N 3.02Š| ||
| 330 | N | 33.6 | Very low | 51.9 | Low | 156 Ų | 156 | 127.3 Ų | 127.3 | 83% | 0.834 | 70% | 0.7 | S | S | * | * | trans | -138.2 | 116 | 152.4 | -116.9 | -7 | 0 | 0 | 0 | 108.9 | E328 T332 | E328-N330 VanDerWaalsContact C-N 3.29Å; E328-N330 PolarHBondContact O-N 3.23Å; N330-T332 PolarHBondContact O-N 3.15Å | ||
| 331 | G | 36.4 | Very low | 49.3 | Very low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 73% | 0.73 | S | S | * | * | trans | -59.8 | 135.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 332 | T | 30.7 | Very low | 46.3 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | -173.3 | 130 | 128.2 | -66 | 0 | 0 | 0 | 0 | 108 | N330 S334 | N330-T332 PolarHBondContact O-N 3.15Å; T332-S334 PolarHBondContact O-N 3.25Å | |||
| 333 | N | 35.5 | Very low | 43.3 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -29.7 | 118.1 | 164 | -173 | 20.4 | 0 | 0 | 0 | 114.3 | ||||
| 334 | S | 29.1 | Very low | 40.5 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -155.4 | 84.4 | 155.8 | -80 | 0 | 0 | 0 | 0 | 109.3 | T332 K336 | T332-S334 PolarHBondContact O-N 3.25Å; S334-K336 PolarHBondContact O-N 2.96Å; S334-K336 VanDerWaalsContact O-N 3.07Å | ||
| 335 | Q | 34.4 | Very low | 38 | Very low | 189 Ų | 189 | 138.7 Ų | 138.7 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -59.4 | 108.4 | 158.5 | -77.5 | -176.1 | -23.4 | 0 | 0 | 108.5 | ||||
| 336 | K | 32.8 | Very low | 36 | Very low | 185 Ų | 185 | 146.1 Ų | 146.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 138.6 | 156.9 | -81.1 | -175 | 178.4 | 175.7 | 0 | 108.5 | S334 V338 | S334-K336 PolarHBondContact O-N 2.96Å; S334-K336 VanDerWaalsContact O-N 3.07Å; K336-V338 PolarHBondContact O-N 3.32Å |
| 337 | P | 32.9 | Very low | 34.6 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 128.5 | -177.9 | 30 | -31 | 0 | 0 | 0 | 109.9 | K339 | P337-K339 PolarHBondContact O-N 3.19Š|
| 338 | V | 34.9 | Very low | 33.7 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 119.5 | 173.2 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | K336 | K336-V338 PolarHBondContact O-N 3.32Š|
| 339 | K | 36.6 | Very low | 33.4 | Very low | 196 Ų | 196 | 142.2 Ų | 142.2 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 134.1 | 167.7 | -79.8 | 179.9 | 174.5 | -179.2 | 0 | 109.2 | P337 | P337-K339 PolarHBondContact O-N 3.19Š|
| 340 | S | 33.8 | Very low | 33.1 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -57 | 145.5 | 174 | -52.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 341 | P | 41.3 | Very low | 33.2 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 129.3 | 167 | 31.1 | -27.8 | 0 | 0 | 0 | 110.6 | ||
| 342 | D | 30.3 | Very low | 33.3 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 126.9 | 169.7 | -149.6 | -4.4 | 0 | 0 | 0 | 108.3 | ||
| 343 | N | 31.6 | Very low | 33.6 | Very low | 138 Ų | 138 | 153.5 Ų | 153.5 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | trans | -109.5 | 102.6 | 177.7 | -161.5 | 19.3 | 0 | 0 | 0 | 109.3 | ||||
| 344 | S | 32.3 | Very low | 33.9 | Very low | 117 Ų | 117 | 153.2 Ų | 153.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -96.2 | 94.8 | 170.2 | -160.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 345 | T | 31.2 | Very low | 34.2 | Very low | 107 Ų | 107 | 154.8 Ų | 154.8 | 66% | 0.656 | 82% | 0.82 | S | S | * | * | trans | -85.5 | 110.3 | 172.8 | -54.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 346 | K | 31 | Very low | 35.2 | Very low | 192 Ų | 192 | 150.8 Ų | 150.8 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -85.8 | 114 | 171 | -158 | 177.8 | -175.1 | -176.1 | 0 | 107.8 | ||||
| 347 | M | 28.9 | Very low | 35.6 | Very low | 170 Ų | 170 | 153.4 Ų | 153.4 | 84% | 0.837 | 83% | 0.831 | S | S | * | * | trans | -82.6 | 137.1 | 173.5 | -74.7 | -154.1 | 68.9 | 0 | 0 | 110.9 | ||||
| 348 | S | 29.8 | Very low | 35.8 | Very low | 103 Ų | 103 | 155 Ų | 155 | 72% | 0.72 | 83% | 0.833 | S | S | * | * | trans | -154.9 | 117 | 167.4 | -56.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 349 | E | 33.1 | Very low | 35.8 | Very low | 184 Ų | 184 | 155.6 Ų | 155.6 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -170.2 | 98.3 | 162.3 | -103.7 | 167.9 | -169.3 | 0 | 0 | 104.8 | ||||
| 350 | E | 35.6 | Very low | 35.8 | Very low | 185 Ų | 185 | 153.4 Ų | 153.4 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | 57.6 | 94 | 99.8 | -80.6 | -172.6 | 166.9 | 0 | 0 | 112.6 | |||||
| 351 | E | 35.8 | Very low | 35.9 | Very low | 198 Ų | 198 | 155.8 Ų | 155.8 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | 68.6 | 96.2 | 94.2 | -73.1 | -152 | 165.7 | 0 | 0 | 114 | |||||
| 352 | D | 37.2 | Very low | 35.5 | Very low | 168 Ų | 168 | 157.7 Ų | 157.7 | 90% | 0.898 | 83% | 0.833 | S | S | * | * | trans | -92.6 | 120.2 | 165 | -97.7 | -37.4 | 0 | 0 | 0 | 109.7 | ||||
| 353 | E | 37.8 | Very low | 35.9 | Very low | 178 Ų | 178 | 157.1 Ų | 157.1 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | -86.5 | 121 | 172.9 | -167.3 | -179.2 | -171.5 | 0 | 0 | 109.5 | ||||
| 354 | V | 42.3 | Very low | 36.2 | Very low | 131 Ų | 131 | 158.5 Ų | 158.5 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | trans | -125 | 119.8 | 167.8 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 355 | N | 34.5 | Very low | 36.5 | Very low | 141 Ų | 141 | 161.7 Ų | 161.7 | 75% | 0.754 | 84% | 0.838 | S | S | * | * | trans | -111.8 | 151.6 | 166.8 | -110.6 | -24.4 | 0 | 0 | 0 | 110.5 | ||||
| 356 | P | 56.5 | Low | 36.9 | Very low | 104 Ų | 104 | 166.3 Ų | 166.3 | 68% | 0.675 | 85% | 0.853 | S | S | * | * | trans | -100.1 | 155.5 | -155.2 | 38.2 | -34.1 | 0 | 0 | 0 | 113.6 | ||||
| 357 | I | 40.8 | Very low | 37.5 | Very low | 241 Ų | 241 | 163.9 Ų | 163.9 | 100% | 1.236 | 85% | 0.854 | S | S | * | * | trans | -140.8 | 0 | 138.1 | -62.2 | -172.1 | 0 | 0 | 0 | 108 |
Retrieved 357 of 357 residues in 96.3 ms
(Link to these results)