| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38 | Very low | 35 | Very low | 251 Ų | 251 | 155.9 Ų | 155.9 | 100% | 1.236 | 84% | 0.836 | S | S | * | * | 0 | 103.5 | 0 | -66.7 | -168.8 | 174.1 | 0 | 0 | 106.3 | |||||
| 2 | A | 35.3 | Very low | 34.8 | Very low | 98 Ų | 98 | 154.6 Ų | 154.6 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | trans | -103.8 | 127.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | L4 | A2-L4 PolarHBondContact O-N 2.81Š| ||
| 3 | E | 33.1 | Very low | 34.4 | Very low | 188 Ų | 188 | 147.8 Ų | 147.8 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -64 | 123.9 | -177.8 | -68.2 | -178 | 143.9 | 0 | 0 | 110.9 | V5 | E3-V5 PolarHBondContact O-N 2.93Å; E3-V5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | L | 35.5 | Very low | 34.5 | Very low | 173 Ų | 173 | 147.4 Ų | 147.4 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | -72.3 | 95.7 | 169.1 | -89.8 | 147.2 | 0 | 0 | 0 | 108.3 | A2 S6 | A2-L4 PolarHBondContact O-N 2.81Å; L4-S6 PolarHBondContact O-N 2.58Å; L4-S6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | V | 37.4 | Very low | 34.2 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -68.4 | 105.6 | 166.5 | -176.2 | 0 | 0 | 0 | 0 | 107.2 | E3 | E3-V5 PolarHBondContact O-N 2.93Å; E3-V5 VanDerWaalsContact O-N 3.11Å | ||
| 6 | S | 36.7 | Very low | 34.2 | Very low | 92 Ų | 92 | 150.1 Ų | 150.1 | 64% | 0.643 | 81% | 0.806 | S | S | * | * | trans | -59.9 | 133.2 | 172.5 | 45.8 | 0 | 0 | 0 | 0 | 109.3 | L4 I8 | L4-S6 PolarHBondContact O-N 2.58Å; L4-S6 VanDerWaalsContact O-N 3.1Å; S6-I8 PolarHBondContact O-N 3.06Å; S6-I8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | P | 35.1 | Very low | 34.5 | Very low | 113 Ų | 113 | 150.1 Ų | 150.1 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -63.6 | 123.1 | 176.1 | 24.3 | -30 | 0 | 0 | 0 | 108.2 | T9 | P7-T9 VanDerWaalsContact C-N 3.3Å; P7-T9 PolarHBondContact O-N 3.48Å | ||
| 8 | I | 33.2 | Very low | 34.4 | Very low | 154 Ų | 154 | 152.6 Ų | 152.6 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -61.2 | 93.8 | 174.2 | -61.2 | 168.5 | 0 | 0 | 0 | 107.2 | S6 R10 | S6-I8 PolarHBondContact O-N 3.06Å; S6-I8 VanDerWaalsContact O-N 3.15Å; I8-R10 HydrophobicContact CG2-CB 4.25Å; I8-R10 PolarHBondContact O-N 3.47Å | ||
| 9 | T | 38.3 | Very low | 34.6 | Very low | 131 Ų | 131 | 150.3 Ų | 150.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -71.7 | 80.3 | 162.9 | 35.3 | 0 | 0 | 0 | 0 | 107.1 | P7 Q11 | P7-T9 VanDerWaalsContact C-N 3.3Å; P7-T9 PolarHBondContact O-N 3.48Å; T9-Q11 PolarHBondContact O-N 3.2Å | ||
| 10 | R | 32.8 | Very low | 34.6 | Very low | 210 Ų | 210 | 146.1 Ų | 146.1 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | -69.9 | 83.8 | 163.9 | -162.1 | 175.2 | -178.7 | -177.8 | -1.8 | 106.4 | I8 V12 | I8-R10 HydrophobicContact CG2-CB 4.25Å; I8-R10 PolarHBondContact O-N 3.47Å; R10-V12 PolarHBondContact O-N 3.03Å | ||
| 11 | Q | 29.3 | Very low | 34.9 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -43.6 | 115.3 | 165.1 | -160.7 | 172.5 | -4 | 0 | 0 | 105.7 | T9 S13 | T9-Q11 PolarHBondContact O-N 3.2Å; Q11-S13 PolarHBondContact O-N 3.16Å | ||
| 12 | V | 33 | Very low | 35 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | -61.7 | 95.1 | 173.9 | 176.9 | 0 | 0 | 0 | 0 | 104.6 | R10 T14 | R10-V12 PolarHBondContact O-N 3.03Å; V12-T14 PolarHBondContact O-N 3.28Å | ||
| 13 | S | 29.3 | Very low | 35.5 | Very low | 67 Ų | 67 | 138.5 Ų | 138.5 | 47% | 0.469 | 76% | 0.76 | S | S | . | * | trans | -51.5 | 138.1 | 170.6 | 33.5 | 0 | 0 | 0 | 0 | 106.5 | Q11 E15 | Q11-S13 PolarHBondContact O-N 3.16Å; S13-E15 PolarHBondContact O-N 3.03Å | ||
| 14 | T | 35.5 | Very low | 36.4 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 87% | 0.865 | 74% | 0.742 | S | S | * | * | trans | -56.3 | 71.3 | 168 | -27.8 | 0 | 0 | 0 | 0 | 108.5 | V12 K16 | V12-T14 PolarHBondContact O-N 3.28Å; T14-K16 PolarHBondContact O-N 2.91Å | ||
| 15 | E | 30.9 | Very low | 38 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | trans | -69.3 | 94.1 | 171 | -67.9 | -157.8 | -169.6 | 0 | 0 | 104.3 | S13 W17 | S13-E15 PolarHBondContact O-N 3.03Å; E15-W17 VanDerWaalsContact C-N 3.33Å; E15-W17 PolarHBondContact O-N 3.03Å | ||
| 16 | K | 34.3 | Very low | 40.2 | Very low | 189 Ų | 189 | 127.4 Ų | 127.4 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | trans | -38.4 | 104.7 | 164.3 | -78.1 | 176.1 | 172.2 | 177.9 | 0 | 106.4 | T14 K18 | T14-K16 PolarHBondContact O-N 2.91Å; K16-K18 VanDerWaalsContact C-N 3.28Å; K16-K18 PolarHBondContact O-N 2.8Å | ||
| 17 | W | 38.1 | Very low | 42.6 | Very low | 150 Ų | 150 | 126.9 Ų | 126.9 | 57% | 0.568 | 70% | 0.696 | S | S | * | * | trans | -49.9 | 105.4 | 160.1 | -95.6 | 52.4 | 0 | 0 | 0 | 105.1 | E15 A19 | E15-W17 VanDerWaalsContact C-N 3.33Å; E15-W17 PolarHBondContact O-N 3.03Å; W17-A19 PolarHBondContact O-N 3.26Å | ||
| 18 | K | 33.8 | Very low | 45.4 | Very low | 194 Ų | 194 | 121.6 Ų | 121.6 | 84% | 0.843 | 66% | 0.661 | S | S | * | * | trans | -60.8 | 117.1 | -176.7 | -83.4 | -177.8 | 175.1 | 178.1 | 0 | 106 | K16 G20 | K16-K18 VanDerWaalsContact C-N 3.28Å; K16-K18 PolarHBondContact O-N 2.8Å; K18-G20 PolarHBondContact O-N 2.96Å | ||
| 19 | A | 37.8 | Very low | 48.2 | Very low | 109 Ų | 109 | 120.8 Ų | 120.8 | 90% | 0.901 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -56.5 | 92.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | W17 | W17-A19 PolarHBondContact O-N 3.26Š|
| 20 | G | 34.4 | Very low | 50.7 | Low | 66 Ų | 66 | 119.5 Ų | 119.5 | 68% | 0.68 | 64% | 0.64 | S | S | * | * | trans | -160.1 | 13.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K18 | K18-G20 PolarHBondContact O-N 2.96Š| ||
| 21 | T | 41.9 | Very low | 53.7 | Low | 88 Ų | 88 | 109.5 Ų | 109.5 | 54% | 0.54 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -68.4 | 131.1 | 160.3 | 18.1 | 0 | 0 | 0 | 0 | 107.5 | T23 | T21-T23 PolarHBondContact O-N 3.14Š|
| 22 | P | 38.8 | Very low | 56.9 | Low | 111 Ų | 111 | 103 Ų | 103 | 72% | 0.721 | 57% | 0.572 | S | S | * | * | trans | -54.9 | 121.5 | 171.9 | 18.3 | -24.7 | 0 | 0 | 0 | 107.2 | V24 | P22-V24 PolarHBondContact O-N 3.49Š| ||
| 23 | T | 45.6 | Very low | 59.9 | Low | 138 Ų | 138 | 101.8 Ų | 101.8 | 85% | 0.847 | 56% | 0.561 | S | S | * | * | trans | -62.5 | 96.1 | 169.4 | 49.8 | 0 | 0 | 0 | 0 | 105.8 | T21 D25 | T21-T23 PolarHBondContact O-N 3.14Å; T23-D25 PolarHBondContact O-N 3.07Å | ||
| 24 | V | 53.6 | Low | 63.2 | Low | 83 Ų | 83 | 99.1 Ų | 99.1 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | trans | -62.3 | 108.2 | 168.4 | -174.6 | 0 | 0 | 0 | 0 | 104.2 | P22 I26 | P22-V24 PolarHBondContact O-N 3.49Å; V24-I26 VanDerWaalsContact C-N 3.26Å; V24-I26 HydrophobicContact CB-CD1 4.35Å; V24-I26 HydrophobicContact CB-CG1 4.1Å; V24-I26 HydrophobicContact CG1-CD1 4.15Å; V24-I26 HydrophobicContact CG1-CG1 3.59Å; V24-I26 PolarHBondContact O-N 3.02Å | ||
| 25 | D | 68.3 | Low | 66.1 | Low | 160 Ų | 160 | 96.1 Ų | 96.1 | 86% | 0.856 | 52% | 0.52 | S | S | * | . | trans | -70.5 | 91 | 174.8 | -171 | 14.8 | 0 | 0 | 0 | 107 | T23 | T23-D25 PolarHBondContact O-N 3.07Š| ||
| 26 | I | 83.8 | Confident | 69.3 | Low | 13 Ų | 13 | 89 Ų | 89 | 7% | 0.067 | 49% | 0.487 | C | S | . | . | trans | -90.6 | 121.1 | -178.1 | -67.6 | 168.6 | 0 | 0 | 0 | 108.2 | V24 L28 L126 I178 V186 C189 F191 | V24-I26 VanDerWaalsContact C-N 3.26Å; V24-I26 HydrophobicContact CB-CD1 4.35Å; V24-I26 HydrophobicContact CB-CG1 4.1Å; V24-I26 HydrophobicContact CG1-CD1 4.15Å; V24-I26 HydrophobicContact CG1-CG1 3.59Å; V24-I26 PolarHBondContact O-N 3.02Å; I26-L28 HydrophobicContact CG2-CD2 3.98Å; I26-L126 HydrophobicContact CG2-CD2 3.56Å; I26-I178 HydrophobicContact CD1-CD1 4.48Å; I26-V186 WeakPolarHBondContact O-CG2 3.22Å; I26-C189 HydrophobicContact CD1-CB 3.51Å; I26-C189 WeakPolarHBondContact CD1-SG 3.43Å; I26-F191 HydrophobicContact CD1-CE1 3.95Å; I26-F191 HydrophobicContact CD1-CE2 3.76Å; I26-F191 HydrophobicContact CD1-CZ 3.25Å; I26-F191 HydrophobicContact CG1-CE2 4.49Å; I26-F191 HydrophobicContact CG1-CZ 4.25Å | ||
| 27 | N | 86.3 | Confident | 72.4 | Confident | 82 Ų | 82 | 83.1 Ų | 83.1 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | trans | -90.5 | 114.3 | 170.4 | -175.3 | 2.3 | 0 | 0 | 0 | 110 | K29 | N27-K29 PolarHBondContact O-N 3.39Å; N27-K29 VanDerWaalsContact OD1-CB 3.22Å; N27-K29 WeakPolarHBondContact OD1-CB 3.34Å; N27-K29 WeakPolarHBondContact OD1-CG 3.3Å; N27-K29 PolarHBondContact OD1-N 2.9Å | ||
| 28 | L | 93.7 | Very high | 75.2 | Confident | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.005 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -74.1 | -13.9 | 178.3 | -63.8 | -178.2 | 0 | 0 | 0 | 113.7 | I26 D30 V31 E32 F46 Y50 L126 A180 V186 | I26-L28 HydrophobicContact CG2-CD2 3.98Å; L28-D30 PolarHBondContact O-N 2.78Å; L28-D30 VanDerWaalsContact O-N 3.14Å; L28-V31 HydrophobicContact CB-CG2 4.36Å; L28-V31 HydrophobicContact CD2-CG2 4.13Å; L28-V31 WeakPolarHBondContact O-CG2 3.18Å; L28-V31 PolarHBondContact O-N 2.75Å; L28-E32 WeakPolarHBondContact O-CG 3.06Å; L28-E32 PolarHBondContact O-N 2.89Å; L28-F46 HydrophobicContact CD2-CE1 4.28Å; L28-Y50 HydrophobicContact CD1-CD1 4.36Å; L28-Y50 HydrophobicContact CD1-CD2 4.38Å; L28-Y50 HydrophobicContact CD1-CE1 3.99Å; L28-Y50 HydrophobicContact CD1-CE2 3.99Å; L28-L126 HydrophobicContact CD2-CD2 4.25Å; L28-A180 HydrophobicContact CD1-CB 3.61Å; L28-V186 HydrophobicContact CD1-CG2 3.7Å; L28-V186 HydrophobicContact CD2-CG2 4.28Å; L28-V186 HydrophobicContact CG-CG2 3.63Å |
| 29 | K | 92.4 | Very high | 78.1 | Confident | 137 Ų | 137 | 74.7 Ų | 74.7 | 60% | 0.596 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -54.8 | -36.9 | -177.1 | -70.5 | 177.9 | 179.9 | -178.7 | 0 | 113 | N27 V31 E32 | N27-K29 PolarHBondContact O-N 3.39Å; N27-K29 VanDerWaalsContact OD1-CB 3.22Å; N27-K29 WeakPolarHBondContact OD1-CB 3.34Å; N27-K29 WeakPolarHBondContact OD1-CG 3.3Å; N27-K29 PolarHBondContact OD1-N 2.9Å; K29-V31 PolarHBondContact O-N 3.37Å; K29-E32 PolarHBondContact O-N 2.86Å |
| 30 | D | 91.6 | Very high | 80.8 | Confident | 104 Ų | 104 | 79.1 Ų | 79.1 | 56% | 0.556 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -70.2 | -20 | -177.6 | -62.9 | -37.4 | 0 | 0 | 0 | 112.9 | L28 K125 | L28-D30 PolarHBondContact O-N 2.78Å; L28-D30 VanDerWaalsContact O-N 3.14Å; D30-K125 VanDerWaalsContact O-CD 3.26Å; D30-K125 WeakPolarHBondContact O-CD 3.31Å; D30-K125 PolarHBondContact O-NZ 2.93Å |
| 31 | V | 95.6 | Very high | 83.7 | Confident | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.006 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -111.6 | -4 | -177.7 | -65.8 | 0 | 0 | 0 | 0 | 114 | L28 K29 D33 C34 F46 I122 K125 L126 | L28-V31 HydrophobicContact CB-CG2 4.36Å; L28-V31 HydrophobicContact CD2-CG2 4.13Å; L28-V31 WeakPolarHBondContact O-CG2 3.18Å; L28-V31 PolarHBondContact O-N 2.75Å; K29-V31 PolarHBondContact O-N 3.37Å; V31-D33 VanDerWaalsContact C-N 3.29Å; V31-D33 PolarHBondContact O-N 2.82Å; V31-C34 VanDerWaalsContact O-CB 3.3Å; V31-C34 WeakPolarHBondContact O-CB 3.35Å; V31-C34 PolarHBondContact O-N 2.9Å; V31-F46 HydrophobicContact CB-CD1 3.98Å; V31-F46 HydrophobicContact CB-CE1 4.33Å; V31-F46 HydrophobicContact CG2-CD1 3.63Å; V31-F46 HydrophobicContact CG2-CE1 3.59Å; V31-F46 WeakPolarHBondContact O-CB 3.2Å; V31-I122 HydrophobicContact CB-CG2 4.34Å; V31-I122 HydrophobicContact CG1-CG2 4.23Å; V31-K125 HydrophobicContact CG1-CB 3.43Å; V31-K125 VanDerWaalsContact CG1-CB 3.43Å; V31-K125 HydrophobicContact CG1-CD 3.85Å; V31-K125 HydrophobicContact CG1-CG 4.33Å; V31-L126 HydrophobicContact CG1-CD2 4.08Å; V31-L126 HydrophobicContact CG1-CG 4.12Å; V31-L126 HydrophobicContact CG2-CD2 3.92Å |
| 32 | E | 96.1 | Very high | 86.4 | Confident | 39 Ų | 39 | 76 Ų | 76 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -44.4 | -176.6 | -86.7 | 178.1 | -163.8 | 0 | 0 | 113.7 | L28 K29 F46 K47 Y50 S184 | L28-E32 WeakPolarHBondContact O-CG 3.06Å; L28-E32 PolarHBondContact O-N 2.89Å; K29-E32 PolarHBondContact O-N 2.86Å; E32-F46 PolarHBondContact O-N 2.91Å; E32-K47 HydrophobicContact CB-CB 4.1Å; E32-K47 HydrophobicContact CB-CD 4.15Å; E32-K47 HydrophobicContact CG-CB 4.01Å; E32-K47 HydrophobicContact CG-CD 4.48Å; E32-K47 PolarHBondContact O-N 2.96Å; E32-Y50 WeakPolarHBondContact CG-OH 3.4Å; E32-S184 WeakPolarHBondContact OE1-CB 3.26Å; E32-S184 PolarHBondContact OE1-OG 2.9Å |
| 33 | D | 96.7 | Very high | 89.2 | Confident | 114 Ų | 114 | 73.5 Ų | 73.5 | 61% | 0.61 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 4.9 | -177.4 | -59.9 | -39.5 | 0 | 0 | 0 | 113.4 | V31 L35 K47 | V31-D33 VanDerWaalsContact C-N 3.29Å; V31-D33 PolarHBondContact O-N 2.82Å; D33-L35 PolarHBondContact O-N 2.92Å; D33-K47 IonicContact OD1-NZ 2.81Å; D33-K47 PolarHBondContact OD1-NZ 2.96Å |
| 34 | C | 97.2 | Very high | 91.7 | Very high | 11 Ų | 11 | 70.2 Ų | 70.2 | 7% | 0.074 | 35% | 0.35 | C | S | . | . | trans | -63.8 | 136.1 | 171.5 | -74.9 | 0 | 0 | 0 | 0 | 110.2 | V31 P45 F46 I122 | V31-C34 VanDerWaalsContact O-CB 3.3Å; V31-C34 WeakPolarHBondContact O-CB 3.35Å; V31-C34 PolarHBondContact O-N 2.9Å; C34-P45 CarbonylContact O-C 3.57Å; C34-F46 WeakPolarHBondContact O-CB 3.28Å; C34-F46 PolarHBondContact O-N 3.3Å; C34-I122 HydrophobicContact CB-CD1 4.13Å; C34-I122 HydrophobicContact CB-CG1 3.51Å | ||
| 35 | L | 97.8 | Very high | 93.8 | Very high | 79 Ų | 79 | 68.5 Ų | 68.5 | 41% | 0.414 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 128.1 | -177.6 | -61.6 | -179.6 | 0 | 0 | 0 | 111.5 | D33 Y37 F44 | D33-L35 PolarHBondContact O-N 2.92Å; L35-Y37 HydrophobicContact CB-CE2 4.19Å; L35-F44 WeakPolarHBondContact CA-O 3.5Å |
| 36 | I | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 153.2 | 167.3 | 58.5 | 175.9 | 0 | 0 | 0 | 109.5 | S43 F44 F46 L49 I93 Y115 V116 I122 | I36-S43 CarbonylContact O-C 3.58Å; I36-S43 VanDerWaalsContact O-CA 3.28Å; I36-S43 WeakPolarHBondContact O-CA 3.21Å; I36-F44 HydrophobicContact CG1-CB 4.1Å; I36-F44 WeakPolarHBondContact CG1-O 3.33Å; I36-F44 PolarHBondContact N-O 2.74Å; I36-F44 PolarHBondContact O-N 2.92Å; I36-F46 HydrophobicContact CG2-CD2 4.26Å; I36-L49 HydrophobicContact CD1-CD1 3.61Å; I36-L49 HydrophobicContact CD1-CD2 3.66Å; I36-L49 HydrophobicContact CD1-CG 3.6Å; I36-I93 HydrophobicContact CG2-CD1 4.46Å; I36-Y115 HydrophobicContact CD1-CD1 3.94Å; I36-Y115 HydrophobicContact CD1-CD2 4.14Å; I36-Y115 HydrophobicContact CD1-CE1 4.4Å; I36-Y115 HydrophobicContact CD1-CG 3.81Å; I36-Y115 HydrophobicContact CG1-CD1 4.18Å; I36-Y115 HydrophobicContact CG1-CG 4.34Å; I36-V116 WeakPolarHBondContact CA-O 3.43Å; I36-I122 HydrophobicContact CG2-CD1 3.42Å; I36-I122 VanDerWaalsContact CG2-CD1 3.42Å |
| 37 | Y | 97.9 | Very high | 95.9 | Very high | 65 Ų | 65 | 63.1 Ų | 63.1 | 26% | 0.255 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134 | -175.5 | -55.7 | -100.2 | 0 | 0 | 0 | 110.9 | L35 V42 Y115 V116 P118 | L35-Y37 HydrophobicContact CB-CE2 4.19Å; Y37-V42 WeakPolarHBondContact CA-O 3.33Å; Y37-Y115 CarbonylContact O-C 3.56Å; Y37-Y115 WeakPolarHBondContact O-CA 3.43Å; Y37-Y115 WeakPolarHBondContact O-CB 3.32Å; Y37-V116 PolarHBondContact N-O 3.13Å; Y37-V116 PolarHBondContact O-N 2.88Å; Y37-P118 HydrophobicContact CD2-CG 4.11Å; Y37-P118 HydrophobicContact CE2-CG 4.42Å |
| 38 | D | 97.2 | Very high | 96.4 | Very high | 28 Ų | 28 | 60.8 Ų | 60.8 | 15% | 0.15 | 30% | 0.299 | C | S | . | . | trans | -79 | -178 | 174.8 | 78.8 | -3.8 | 0 | 0 | 0 | 112 | R40 G41 V42 F44 H98 Y115 | D38-R40 PolarHBondContact O-N 3.02Å; D38-R40 VanDerWaalsContact O-N 3.1Å; D38-R40 WeakPolarHBondContact OD1-CA 3.11Å; D38-R40 WeakPolarHBondContact OD1-CB 3.23Å; D38-R40 PolarHBondContact OD1-N 3.08Å; D38-G41 PolarHBondContact O-N 2.8Å; D38-G41 PolarHBondContact OD1-N 2.76Å; D38-V42 PolarHBondContact N-O 3.3Å; D38-V42 PolarHBondContact OD1-N 3.05Å; D38-F44 HydrophobicContact CB-CE2 3.99Å; D38-H98 WeakPolarHBondContact O-CB 3.33Å; D38-Y115 HydrophobicContact CB-CD1 4.02Å; D38-Y115 HydrophobicContact CB-CE1 3.97Å | ||
| 39 | R | 94.5 | Very high | 96.6 | Very high | 140 Ų | 140 | 60.7 Ų | 60.7 | 53% | 0.528 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.2 | 177.7 | 72.2 | -177.7 | 67.6 | -179.3 | -0.8 | 114.9 | I101 | R39-I101 HydrophobicContact CB-CB 4.23Å; R39-I101 HydrophobicContact CB-CD1 4.46Å; R39-I101 HydrophobicContact CB-CG2 3.78Å |
| 40 | R | 96 | Very high | 96.8 | Very high | 202 Ų | 202 | 54.3 Ų | 54.3 | 76% | 0.762 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -0.8 | 179.6 | -61.3 | 174.2 | 63.2 | -166 | -1.1 | 111.9 | D38 V42 | D38-R40 PolarHBondContact O-N 3.02Å; D38-R40 VanDerWaalsContact O-N 3.1Å; D38-R40 WeakPolarHBondContact OD1-CA 3.11Å; D38-R40 WeakPolarHBondContact OD1-CB 3.23Å; D38-R40 PolarHBondContact OD1-N 3.08Å; R40-V42 VanDerWaalsContact C-N 3.28Å; R40-V42 HydrophobicContact CB-CG2 4.1Å |
| 41 | G | 95.4 | Very high | 97.1 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 26% | 0.258 | 27% | 0.267 | S | S | . | . | trans | 76.7 | 13.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D38 | D38-G41 PolarHBondContact O-N 2.8Å; D38-G41 PolarHBondContact OD1-N 2.76Å | ||
| 42 | V | 97.7 | Very high | 97.1 | Very high | 62 Ų | 62 | 60.5 Ų | 60.5 | 38% | 0.376 | 30% | 0.301 | S | S | . | . | trans | -75.7 | 130.5 | 175.1 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | Y37 D38 R40 F44 | Y37-V42 WeakPolarHBondContact CA-O 3.33Å; D38-V42 PolarHBondContact N-O 3.3Å; D38-V42 PolarHBondContact OD1-N 3.05Å; R40-V42 VanDerWaalsContact C-N 3.28Å; R40-V42 HydrophobicContact CB-CG2 4.1Å; V42-F44 HydrophobicContact CB-CE2 3.87Å; V42-F44 HydrophobicContact CB-CZ 4.22Å; V42-F44 HydrophobicContact CG1-CD2 4.49Å; V42-F44 HydrophobicContact CG1-CE1 4.45Å; V42-F44 HydrophobicContact CG1-CE2 3.68Å; V42-F44 HydrophobicContact CG1-CZ 3.66Å; V42-F44 WeakPolarHBondContact O-CD2 3.41Å; V42-F44 WeakPolarHBondContact O-CE2 3.49Å | ||
| 43 | S | 97.5 | Very high | 97 | Very high | 59 Ų | 59 | 60 Ų | 60 | 41% | 0.413 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 139.5 | -178.2 | 61.9 | 0 | 0 | 0 | 0 | 112.7 | I36 | I36-S43 CarbonylContact O-C 3.58Å; I36-S43 VanDerWaalsContact O-CA 3.28Å; I36-S43 WeakPolarHBondContact O-CA 3.21Å |
| 44 | F | 97.6 | Very high | 97 | Very high | 70 Ų | 70 | 57 Ų | 57 | 31% | 0.307 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 147.8 | 174.8 | -59.3 | -91.7 | 0 | 0 | 0 | 110 | L35 I36 D38 V42 Y115 | L35-F44 WeakPolarHBondContact CA-O 3.5Å; I36-F44 HydrophobicContact CG1-CB 4.1Å; I36-F44 WeakPolarHBondContact CG1-O 3.33Å; I36-F44 PolarHBondContact N-O 2.74Å; I36-F44 PolarHBondContact O-N 2.92Å; D38-F44 HydrophobicContact CB-CE2 3.99Å; V42-F44 HydrophobicContact CB-CE2 3.87Å; V42-F44 HydrophobicContact CB-CZ 4.22Å; V42-F44 HydrophobicContact CG1-CD2 4.49Å; V42-F44 HydrophobicContact CG1-CE1 4.45Å; V42-F44 HydrophobicContact CG1-CE2 3.68Å; V42-F44 HydrophobicContact CG1-CZ 3.66Å; V42-F44 WeakPolarHBondContact O-CD2 3.41Å; V42-F44 WeakPolarHBondContact O-CE2 3.49Å; F44-Y115 HydrophobicContact CD2-CD1 4.48Å; F44-Y115 HydrophobicContact CD2-CE1 4Å; F44-Y115 HydrophobicContact CE2-CE1 4.35Å |
| 45 | P | 98 | Very high | 97 | Very high | 47 Ų | 47 | 56.4 Ų | 56.4 | 31% | 0.305 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 137.1 | 170.5 | 30.7 | -33.4 | 0 | 0 | 0 | 109.6 | C34 K47 S48 | C34-P45 CarbonylContact O-C 3.57Å; P45-K47 HydrophobicContact CB-CG 4.25Å; P45-K47 HydrophobicContact CG-CG 4.44Å; P45-K47 PolarHBondContact O-N 2.52Å; P45-K47 VanDerWaalsContact O-N 3.08Å; P45-S48 VanDerWaalsContact O-CB 3.3Å; P45-S48 WeakPolarHBondContact O-CB 3.37Å; P45-S48 PolarHBondContact O-N 3.08Å; P45-S48 PolarHBondContact O-OG 3.02Å |
| 46 | F | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -54.5 | -33.3 | -176.6 | 177.4 | -120.4 | 0 | 0 | 0 | 113.2 | L28 V31 E32 C34 I36 S48 L49 Y50 I57 F59 I93 I122 | L28-F46 HydrophobicContact CD2-CE1 4.28Å; V31-F46 HydrophobicContact CB-CD1 3.98Å; V31-F46 HydrophobicContact CB-CE1 4.33Å; V31-F46 HydrophobicContact CG2-CD1 3.63Å; V31-F46 HydrophobicContact CG2-CE1 3.59Å; V31-F46 WeakPolarHBondContact O-CB 3.2Å; E32-F46 PolarHBondContact O-N 2.91Å; C34-F46 WeakPolarHBondContact O-CB 3.28Å; C34-F46 PolarHBondContact O-N 3.3Å; I36-F46 HydrophobicContact CG2-CD2 4.26Å; F46-S48 PolarHBondContact O-N 3.4Å; F46-S48 VanDerWaalsContact O-N 3.16Å; F46-L49 HydrophobicContact CD2-CD1 3.76Å; F46-L49 HydrophobicContact CD2-CG 4.43Å; F46-L49 HydrophobicContact CE2-CD1 3.77Å; F46-L49 WeakPolarHBondContact O-CB 3.37Å; F46-L49 WeakPolarHBondContact O-CG 3.3Å; F46-L49 PolarHBondContact O-N 3.29Å; F46-Y50 AromaticContact CD1-CE1 3.74Å; F46-Y50 HydrophobicContact CD1-CE1 3.74Å; F46-Y50 AromaticContact CE1-CE1 3.61Å; F46-Y50 HydrophobicContact CE1-CE1 3.61Å; F46-Y50 HydrophobicContact CG-CE1 4.32Å; F46-Y50 HydrophobicContact CZ-CE1 4.07Å; F46-Y50 WeakPolarHBondContact O-CE1 3.38Å; F46-I57 HydrophobicContact CE2-CD1 4.2Å; F46-I57 HydrophobicContact CE2-CG2 4.23Å; F46-I57 HydrophobicContact CZ-CD1 4.09Å; F46-F59 HydrophobicContact CE2-CZ 4.05Å; F46-F59 AromaticContact CZ-CZ 3.88Å; F46-F59 HydrophobicContact CZ-CZ 3.88Å; F46-I93 HydrophobicContact CD2-CD1 4.01Å; F46-I93 HydrophobicContact CE2-CD1 3.56Å; F46-I122 HydrophobicContact CB-CD1 3.96Å; F46-I122 HydrophobicContact CD1-CD1 4.44Å; F46-I122 HydrophobicContact CD2-CD1 3.63Å; F46-I122 HydrophobicContact CE1-CG2 4.27Å; F46-I122 HydrophobicContact CE2-CD1 4.24Å; F46-I122 HydrophobicContact CG-CD1 3.76Å; F46-I122 HydrophobicContact CG-CG1 4.41Å; F46-I122 HydrophobicContact CZ-CG2 4.27Å |
| 47 | K | 97.6 | Very high | 97.1 | Very high | 60 Ų | 60 | 52.7 Ų | 52.7 | 26% | 0.261 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -58 | -26.3 | 175.1 | 73.6 | -171.7 | 173.5 | -151.6 | 0 | 114.6 | E32 D33 P45 L49 Y50 Q51 | E32-K47 HydrophobicContact CB-CB 4.1Å; E32-K47 HydrophobicContact CB-CD 4.15Å; E32-K47 HydrophobicContact CG-CB 4.01Å; E32-K47 HydrophobicContact CG-CD 4.48Å; E32-K47 PolarHBondContact O-N 2.96Å; D33-K47 IonicContact OD1-NZ 2.81Å; D33-K47 PolarHBondContact OD1-NZ 2.96Å; P45-K47 HydrophobicContact CB-CG 4.25Å; P45-K47 HydrophobicContact CG-CG 4.44Å; P45-K47 PolarHBondContact O-N 2.52Å; P45-K47 VanDerWaalsContact O-N 3.08Å; K47-L49 PolarHBondContact O-N 3.4Å; K47-Y50 VanDerWaalsContact CA-CZ 3.47Å; K47-Y50 HydrophobicContact CB-CE2 4.1Å; K47-Y50 PolarHBondContact O-N 2.82Å; K47-Q51 VanDerWaalsContact O-CB 3.31Å; K47-Q51 WeakPolarHBondContact O-CB 3.37Å; K47-Q51 PolarHBondContact O-N 3.03Å |
| 48 | S | 97.8 | Very high | 97 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -62.9 | -15 | 177.2 | 77.5 | 0 | 0 | 0 | 0 | 112.7 | P45 F46 R89 | P45-S48 VanDerWaalsContact O-CB 3.3Å; P45-S48 WeakPolarHBondContact O-CB 3.37Å; P45-S48 PolarHBondContact O-N 3.08Å; P45-S48 PolarHBondContact O-OG 3.02Å; F46-S48 PolarHBondContact O-N 3.4Å; F46-S48 VanDerWaalsContact O-N 3.16Å; S48-R89 PolarHBondContact O-NH1 2.97Å |
| 49 | L | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -73.1 | -28.6 | 174.8 | -62.1 | -171.9 | 0 | 0 | 0 | 112.8 | I36 F46 K47 S55 I57 R89 V91 I93 Y115 | I36-L49 HydrophobicContact CD1-CD1 3.61Å; I36-L49 HydrophobicContact CD1-CD2 3.66Å; I36-L49 HydrophobicContact CD1-CG 3.6Å; F46-L49 HydrophobicContact CD2-CD1 3.76Å; F46-L49 HydrophobicContact CD2-CG 4.43Å; F46-L49 HydrophobicContact CE2-CD1 3.77Å; F46-L49 WeakPolarHBondContact O-CB 3.37Å; F46-L49 WeakPolarHBondContact O-CG 3.3Å; F46-L49 PolarHBondContact O-N 3.29Å; K47-L49 PolarHBondContact O-N 3.4Å; L49-S55 VanDerWaalsContact O-CB 3.3Å; L49-S55 WeakPolarHBondContact O-CB 3.36Å; L49-S55 PolarHBondContact O-OG 3.33Å; L49-I57 HydrophobicContact CB-CD1 4.14Å; L49-I57 HydrophobicContact CD1-CD1 4.36Å; L49-I57 HydrophobicContact CD1-CG2 4.5Å; L49-R89 VanDerWaalsContact C-NH1 3.31Å; L49-R89 VanDerWaalsContact CA-NH1 3.34Å; L49-R89 PolarHBondContact O-NH1 2.92Å; L49-V91 HydrophobicContact CD1-CG1 3.95Å; L49-V91 HydrophobicContact CD2-CG1 4.18Å; L49-V91 HydrophobicContact CD2-CG2 4.44Å; L49-I93 HydrophobicContact CD1-CD1 3.81Å; L49-I93 HydrophobicContact CD1-CG1 4.49Å; L49-Y115 HydrophobicContact CD2-CD2 3.99Å; L49-Y115 HydrophobicContact CD2-CE2 3.53Å |
| 50 | Y | 97.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135 | 1 | -170.1 | 54.4 | -100.7 | 0 | 0 | 0 | 114.2 | L28 E32 F46 K47 S53 I57 A180 G181 P182 G183 | L28-Y50 HydrophobicContact CD1-CD1 4.36Å; L28-Y50 HydrophobicContact CD1-CD2 4.38Å; L28-Y50 HydrophobicContact CD1-CE1 3.99Å; L28-Y50 HydrophobicContact CD1-CE2 3.99Å; E32-Y50 WeakPolarHBondContact CG-OH 3.4Å; F46-Y50 AromaticContact CD1-CE1 3.74Å; F46-Y50 HydrophobicContact CD1-CE1 3.74Å; F46-Y50 AromaticContact CE1-CE1 3.61Å; F46-Y50 HydrophobicContact CE1-CE1 3.61Å; F46-Y50 HydrophobicContact CG-CE1 4.32Å; F46-Y50 HydrophobicContact CZ-CE1 4.07Å; F46-Y50 WeakPolarHBondContact O-CE1 3.38Å; K47-Y50 VanDerWaalsContact CA-CZ 3.47Å; K47-Y50 HydrophobicContact CB-CE2 4.1Å; K47-Y50 PolarHBondContact O-N 2.82Å; Y50-S53 CarbonylContact C-O 3.51Å; Y50-S53 WeakPolarHBondContact CA-O 3.45Å; Y50-I57 HydrophobicContact CD1-CD1 3.89Å; Y50-A180 HydrophobicContact CD1-CB 4.3Å; Y50-A180 HydrophobicContact CG-CB 4.03Å; Y50-G181 WeakPolarHBondContact O-CA 3.13Å; Y50-P182 CarbonylContact O-C 3.6Å; Y50-P182 WeakPolarHBondContact O-CA 3.45Å; Y50-G183 VanDerWaalsContact CD2-O 3.23Å; Y50-G183 WeakPolarHBondContact CD2-O 3.48Å; Y50-G183 PolarHBondContact O-N 3.04Å |
| 51 | Q | 96.9 | Very high | 96.2 | Very high | 100 Ų | 100 | 32.8 Ų | 32.8 | 47% | 0.467 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -60.3 | -49.3 | -177.7 | -178.7 | 171.5 | -7.4 | 0 | 0 | 112.4 | K47 G183 | K47-Q51 VanDerWaalsContact O-CB 3.31Å; K47-Q51 WeakPolarHBondContact O-CB 3.37Å; K47-Q51 PolarHBondContact O-N 3.03Å; Q51-G183 PolarHBondContact O-N 2.93Å |
| 52 | D | 96 | Very high | 95.3 | Very high | 135 Ų | 135 | 31.8 Ų | 31.8 | 72% | 0.722 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -100.4 | -19.4 | -171.5 | -55.3 | -46.8 | 0 | 0 | 0 | 113.7 | ||
| 53 | S | 94.8 | Very high | 94.2 | Very high | 28 Ų | 28 | 29.1 Ų | 29.1 | 20% | 0.196 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -144.3 | 158.7 | -174.1 | 64.9 | 0 | 0 | 0 | 0 | 111.3 | Y50 R89 | Y50-S53 CarbonylContact C-O 3.51Å; Y50-S53 WeakPolarHBondContact CA-O 3.45Å; S53-R89 WeakPolarHBondContact OG-CD 3.35Å |
| 54 | K | 96.6 | Very high | 92.8 | Very high | 51 Ų | 51 | 27 Ų | 27 | 22% | 0.222 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 140.2 | 170 | -169.3 | -175.5 | -64.9 | -179.3 | 0 | 110.2 | I88 R89 I179 A180 A208 | K54-I88 HydrophobicContact CB-CG1 4.47Å; K54-I88 HydrophobicContact CD-CG1 4.49Å; K54-I88 WeakPolarHBondContact O-CA 3.37Å; K54-R89 PolarHBondContact O-N 3.03Å; K54-I179 HydrophobicContact CD-CG2 3.87Å; K54-I179 HydrophobicContact CG-CG2 3.94Å; K54-A180 CarbonylContact C-O 3.52Å; K54-A180 WeakPolarHBondContact CA-O 3.43Å; K54-A208 HydrophobicContact CD-CB 4.35Å; K54-A208 WeakPolarHBondContact CD-O 3.11Å; K54-A208 PolarHBondContact NZ-O 3.5Å |
| 55 | S | 97.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 132.8 | -176.5 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | L49 R89 I179 A180 | L49-S55 VanDerWaalsContact O-CB 3.3Å; L49-S55 WeakPolarHBondContact O-CB 3.36Å; L49-S55 PolarHBondContact O-OG 3.33Å; S55-R89 CarbonylContact C-O 3.59Å; S55-R89 WeakPolarHBondContact CA-O 3.48Å; S55-R89 WeakPolarHBondContact OG-CB 3.34Å; S55-I179 WeakPolarHBondContact O-CA 3.3Å; S55-A180 PolarHBondContact N-O 2.86Å; S55-A180 PolarHBondContact O-N 3.4Å |
| 56 | V | 98 | Very high | 90.4 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 108.9 | 165.4 | -177.7 | 0 | 0 | 0 | 0 | 107 | I58 I88 R89 L90 V91 I179 L204 A208 | V56-I58 HydrophobicContact CG1-CD1 3.83Å; V56-I58 HydrophobicContact CG1-CG1 4.45Å; V56-I88 HydrophobicContact CG2-CG2 3.97Å; V56-R89 PolarHBondContact N-O 3.32Å; V56-L90 HydrophobicContact CB-CD1 3.89Å; V56-L90 HydrophobicContact CG1-CD1 3.84Å; V56-V91 PolarHBondContact O-N 3.35Å; V56-I179 HydrophobicContact CG2-CG1 4.3Å; V56-L204 HydrophobicContact CG1-CB 4.18Å; V56-L204 HydrophobicContact CG1-CD1 4.23Å; V56-A208 HydrophobicContact CG2-CB 3.53Å |
| 57 | I | 98.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 113.8 | -175.5 | -55.6 | 168.6 | 0 | 0 | 0 | 108.1 | F46 L49 Y50 F59 V91 I93 A177 I178 | F46-I57 HydrophobicContact CE2-CD1 4.2Å; F46-I57 HydrophobicContact CE2-CG2 4.23Å; F46-I57 HydrophobicContact CZ-CD1 4.09Å; L49-I57 HydrophobicContact CB-CD1 4.14Å; L49-I57 HydrophobicContact CD1-CD1 4.36Å; L49-I57 HydrophobicContact CD1-CG2 4.5Å; Y50-I57 HydrophobicContact CD1-CD1 3.89Å; I57-F59 HydrophobicContact CB-CE2 4.42Å; I57-F59 HydrophobicContact CG2-CD2 4.26Å; I57-F59 HydrophobicContact CG2-CE2 3.64Å; I57-F59 HydrophobicContact CG2-CZ 3.9Å; I57-V91 WeakPolarHBondContact CA-O 3.28Å; I57-I93 HydrophobicContact CG2-CD1 3.62Å; I57-I93 HydrophobicContact CG2-CG1 4.14Å; I57-A177 CarbonylContact O-C 3.55Å; I57-A177 WeakPolarHBondContact O-CA 3.35Å; I57-I178 PolarHBondContact N-O 2.79Å; I57-I178 PolarHBondContact O-N 3.32Å |
| 58 | I | 97.4 | Very high | 88.7 | Confident | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 121 | -178.9 | -52.8 | -57.6 | 0 | 0 | 0 | 109 | V56 V60 Y71 L75 L90 V91 V92 I93 A177 L204 | V56-I58 HydrophobicContact CG1-CD1 3.83Å; V56-I58 HydrophobicContact CG1-CG1 4.45Å; I58-V60 HydrophobicContact CG2-CG1 4.33Å; I58-Y71 HydrophobicContact CD1-CE1 4.48Å; I58-Y71 HydrophobicContact CG2-CD1 4.28Å; I58-Y71 HydrophobicContact CG2-CE1 3.8Å; I58-L75 HydrophobicContact CB-CD1 4.47Å; I58-L75 HydrophobicContact CG1-CD1 4.01Å; I58-L75 HydrophobicContact CG2-CD1 4.23Å; I58-L90 HydrophobicContact CG1-CD1 4.34Å; I58-V91 PolarHBondContact N-O 2.86Å; I58-V92 HydrophobicContact CB-CG2 4.14Å; I58-V92 CarbonylContact O-C 3.5Å; I58-V92 WeakPolarHBondContact O-CA 3.44Å; I58-I93 PolarHBondContact O-N 2.92Å; I58-A177 HydrophobicContact CD1-CB 3.79Å; I58-L204 HydrophobicContact CD1-CD1 3.56Å |
| 59 | F | 95.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 23 Ų | 23 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 110.3 | 172.7 | -66.2 | -93.3 | 0 | 0 | 0 | 109 | F46 I57 I93 I122 Y123 L126 M128 G175 G176 I178 | F46-F59 HydrophobicContact CE2-CZ 4.05Å; F46-F59 AromaticContact CZ-CZ 3.88Å; F46-F59 HydrophobicContact CZ-CZ 3.88Å; I57-F59 HydrophobicContact CB-CE2 4.42Å; I57-F59 HydrophobicContact CG2-CD2 4.26Å; I57-F59 HydrophobicContact CG2-CE2 3.64Å; I57-F59 HydrophobicContact CG2-CZ 3.9Å; F59-I93 HydrophobicContact CD1-CB 4.06Å; F59-I93 HydrophobicContact CD1-CD1 4.44Å; F59-I93 HydrophobicContact CD1-CG2 4.16Å; F59-I93 HydrophobicContact CE1-CB 4.27Å; F59-I93 HydrophobicContact CE1-CD1 3.82Å; F59-I93 HydrophobicContact CE1-CG2 4.26Å; F59-I93 HydrophobicContact CZ-CD1 4.06Å; F59-I122 HydrophobicContact CE1-CB 4.37Å; F59-I122 HydrophobicContact CE1-CG2 3.59Å; F59-I122 HydrophobicContact CZ-CG2 3.81Å; F59-Y123 HydrophobicContact CB-CE1 3.91Å; F59-Y123 HydrophobicContact CD1-CD2 4.35Å; F59-Y123 HydrophobicContact CD1-CE1 4.1Å; F59-Y123 AromaticContact CD1-CE2 3.89Å; F59-Y123 HydrophobicContact CD1-CE2 3.89Å; F59-Y123 AromaticContact CD1-CZ 3.76Å; F59-Y123 HydrophobicContact CG-CE1 4.47Å; F59-L126 HydrophobicContact CE1-CD1 4.47Å; F59-L126 HydrophobicContact CE2-CD1 4.33Å; F59-L126 HydrophobicContact CZ-CD1 3.92Å; F59-M128 HydrophobicContact CB-CE 3.96Å; F59-M128 HydrophobicContact CB-SD 4.23Å; F59-M128 HydrophobicContact CD1-CE 3.99Å; F59-M128 HydrophobicContact CD1-SD 4.39Å; F59-M128 HydrophobicContact CD2-CE 3.55Å; F59-M128 HydrophobicContact CE1-CE 4.35Å; F59-M128 HydrophobicContact CE2-CE 3.96Å; F59-M128 HydrophobicContact CG-CE 3.55Å; F59-M128 HydrophobicContact CG-SD 4.24Å; F59-M128 HydrophobicContact CZ-CE 4.33Å; F59-G175 CarbonylContact O-C 3.42Å; F59-G175 WeakPolarHBondContact O-CA 3.22Å; F59-G176 PolarHBondContact N-O 2.87Å; F59-G176 PolarHBondContact O-N 3.32Å; F59-I178 HydrophobicContact CE2-CB 4.48Å; F59-I178 HydrophobicContact CE2-CD1 3.8Å; F59-I178 HydrophobicContact CE2-CG1 4.02Å; F59-I178 HydrophobicContact CZ-CD1 4.47Å |
| 60 | V | 91 | Very high | 87.5 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | trans | -86 | 147.2 | 172.4 | -61.5 | 0 | 0 | 0 | 0 | 110.3 | I58 F63 C68 V72 V92 I93 Y123 | I58-V60 HydrophobicContact CG2-CG1 4.33Å; V60-F63 HydrophobicContact CG2-CD1 3.79Å; V60-F63 HydrophobicContact CG2-CE1 3.74Å; V60-C68 HydrophobicContact CB-CB 4.05Å; V60-C68 HydrophobicContact CG1-CB 4.14Å; V60-V72 HydrophobicContact CG1-CG2 3.86Å; V60-V92 HydrophobicContact CG1-CG1 4.04Å; V60-V92 HydrophobicContact CG2-CG1 4.28Å; V60-I93 WeakPolarHBondContact CG2-O 3.37Å; V60-I93 PolarHBondContact N-O 3.08Å; V60-Y123 PolarHBondContact O-OH 3.4Å | ||
| 61 | R | 83.5 | Confident | 87.2 | Confident | 11 Ų | 11 | 24 Ų | 24 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -60.6 | -48.8 | -178.1 | -55.7 | -176.9 | 72.8 | -152.7 | 6.4 | 111.6 | C65 Q95 E132 L171 Q173 | R61-C65 HydrophobicContact CB-CB 4.45Å; R61-Q95 PolarHBondContact O-OE1 3.05Å; R61-E132 IonicContact CZ-OE1 3.9Å; R61-E132 VanDerWaalsContact CZ-OE1 3.24Å; R61-E132 IonicContact NH1-OE1 3.76Å; R61-E132 PolarHBondContact NH1-OE1 3.37Å; R61-E132 IonicContact NH2-OE1 3.39Å; R61-E132 PolarHBondContact NH2-OE1 3.07Å; R61-L171 VanDerWaalsContact CZ-O 3.31Å; R61-L171 PolarHBondContact NH1-O 3.47Å; R61-L171 PolarHBondContact NH2-O 3.43Å; R61-Q173 WeakPolarHBondContact CB-O 3.49Å; R61-Q173 VanDerWaalsContact CG-O 3.3Å; R61-Q173 WeakPolarHBondContact CG-O 3.38Å; R61-Q173 PolarHBondContact NE-O 2.88Å; R61-Q173 PolarHBondContact NH2-O 3.31Å |
| 62 | N | 75.8 | Confident | 86.9 | Confident | 4 Ų | 4 | 19.2 Ų | 19.2 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | trans | -169.6 | 161.6 | 171.5 | 55.6 | 74.2 | 0 | 0 | 0 | 108.2 | L64 C65 D170 | N62-L64 PolarHBondContact O-N 3.12Å; N62-L64 WeakPolarHBondContact OD1-CA 3.42Å; N62-L64 WeakPolarHBondContact OD1-CB 3.24Å; N62-L64 PolarHBondContact OD1-N 3.42Å; N62-L64 VanDerWaalsContact OD1-N 3.15Å; N62-C65 WeakPolarHBondContact O-CB 3.36Å; N62-C65 PolarHBondContact O-N 2.97Å; N62-C65 PolarHBondContact OD1-N 2.81Å; N62-D170 PolarHBondContact ND2-O 3.48Å | ||
| 63 | F | 75.4 | Confident | 86.7 | Confident | 6 Ų | 6 | 14.8 Ų | 14.8 | 3% | 0.026 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -11.8 | -179.2 | -68.1 | -15.1 | 0 | 0 | 0 | 114.4 | V60 G94 S96 H100 I101 F104 I114 V116 M160 | V60-F63 HydrophobicContact CG2-CD1 3.79Å; V60-F63 HydrophobicContact CG2-CE1 3.74Å; F63-G94 VanDerWaalsContact CE1-CA 3.47Å; F63-S96 WeakPolarHBondContact CD2-OG 3.32Å; F63-S96 WeakPolarHBondContact CE2-OG 3.39Å; F63-H100 HydrophobicContact CD2-CB 3.8Å; F63-H100 HydrophobicContact CE2-CB 4.3Å; F63-I101 HydrophobicContact CE2-CG1 4.02Å; F63-I101 HydrophobicContact CZ-CG1 4.28Å; F63-F104 HydrophobicContact CB-CD2 3.81Å; F63-F104 HydrophobicContact CB-CE2 4.19Å; F63-F104 HydrophobicContact CB-CG 4.2Å; F63-F104 AromaticContact CD1-CD1 3.9Å; F63-F104 HydrophobicContact CD1-CD1 3.9Å; F63-F104 HydrophobicContact CD1-CD2 4.21Å; F63-F104 AromaticContact CD1-CE1 3.91Å; F63-F104 HydrophobicContact CD1-CE1 3.91Å; F63-F104 HydrophobicContact CD1-CE2 4.25Å; F63-F104 HydrophobicContact CD1-CG 4.04Å; F63-F104 HydrophobicContact CD1-CZ 4.1Å; F63-F104 HydrophobicContact CD2-CB 4.08Å; F63-F104 HydrophobicContact CD2-CG 4.21Å; F63-F104 AromaticContact CE1-CD1 3.95Å; F63-F104 HydrophobicContact CE1-CD1 3.95Å; F63-F104 HydrophobicContact CE1-CE1 4.03Å; F63-F104 HydrophobicContact CE1-CG 4.45Å; F63-F104 HydrophobicContact CE2-CB 4.45Å; F63-F104 HydrophobicContact CG-CB 4.26Å; F63-F104 HydrophobicContact CG-CD1 4.22Å; F63-F104 HydrophobicContact CG-CD2 4.02Å; F63-F104 HydrophobicContact CG-CE2 4.42Å; F63-F104 AromaticContact CG-CG 3.91Å; F63-F104 HydrophobicContact CG-CG 3.91Å; F63-F104 HydrophobicContact CZ-CD1 4.34Å; F63-I114 HydrophobicContact CE1-CD1 4.18Å; F63-I114 HydrophobicContact CZ-CD1 3.9Å; F63-I114 HydrophobicContact CZ-CG1 4.34Å; F63-V116 HydrophobicContact CE2-CG1 3.83Å; F63-V116 HydrophobicContact CZ-CG1 3.75Å; F63-M160 WeakPolarHBondContact O-CE 3.47Å |
| 64 | L | 68.1 | Low | 86.5 | Confident | 14 Ų | 14 | 13.5 Ų | 13.5 | 7% | 0.073 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -19.8 | 174.1 | -58.4 | 179.6 | 0 | 0 | 0 | 111.9 | N62 Y66 W157 M160 F165 F167 | N62-L64 PolarHBondContact O-N 3.12Å; N62-L64 WeakPolarHBondContact OD1-CA 3.42Å; N62-L64 WeakPolarHBondContact OD1-CB 3.24Å; N62-L64 PolarHBondContact OD1-N 3.42Å; N62-L64 VanDerWaalsContact OD1-N 3.15Å; L64-Y66 PolarHBondContact O-N 3.41Å; L64-W157 HydrophobicContact CB-CH2 4.41Å; L64-W157 HydrophobicContact CB-CZ3 4.47Å; L64-W157 WeakPolarHBondContact O-CZ3 3.42Å; L64-M160 HydrophobicContact CD2-CB 3.68Å; L64-M160 HydrophobicContact CD2-CE 3.77Å; L64-M160 VanDerWaalsContact CD2-O 3.31Å; L64-M160 WeakPolarHBondContact CD2-O 3.36Å; L64-F165 HydrophobicContact CD2-CD1 4.09Å; L64-F167 HydrophobicContact CD1-CD2 3.35Å; L64-F167 HydrophobicContact CD1-CE2 3.57Å; L64-F167 HydrophobicContact CD1-CG 4.44Å |
| 65 | C | 70.6 | Confident | 86.4 | Confident | 10 Ų | 10 | 11.1 Ų | 11.1 | 7% | 0.068 | 5% | 0.052 | C | C | . | . | trans | -64.1 | 120.8 | -175.4 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | R61 N62 S67 C68 K69 | R61-C65 HydrophobicContact CB-CB 4.45Å; N62-C65 WeakPolarHBondContact O-CB 3.36Å; N62-C65 PolarHBondContact O-N 2.97Å; N62-C65 PolarHBondContact OD1-N 2.81Å; C65-S67 PolarHBondContact O-N 3.06Å; C65-S67 PolarHBondContact SG-OG 2.86Å; C65-C68 HydrophobicContact CB-CB 3.82Å; C65-C68 WeakPolarHBondContact O-CB 3.39Å; C65-C68 PolarHBondContact O-N 3Å; C65-C68 PolarHBondContact SG-SG 3.39Å; C65-K69 PolarHBondContact O-N 2.74Å | ||
| 66 | Y | 74.8 | Confident | 86.2 | Confident | 65 Ų | 65 | 12.5 Ų | 12.5 | 26% | 0.255 | 6% | 0.061 | S | C | . | . | H | α-helix | trans | -60.9 | -48.4 | -175.8 | 177.5 | -97.8 | 0 | 0 | 0 | 113.5 | L64 C68 K69 E70 S146 I153 | L64-Y66 PolarHBondContact O-N 3.41Å; Y66-C68 VanDerWaalsContact C-N 3.26Å; Y66-C68 PolarHBondContact O-N 2.82Å; Y66-K69 WeakPolarHBondContact O-CB 3.37Å; Y66-K69 PolarHBondContact O-N 2.88Å; Y66-K69 VanDerWaalsContact O-N 3.09Å; Y66-E70 HydrophobicContact CE1-CG 3.78Å; Y66-E70 WeakPolarHBondContact CE1-OE2 3.21Å; Y66-E70 HydrophobicContact CE2-CG 4.23Å; Y66-E70 VanDerWaalsContact CZ-OE1 3.32Å; Y66-E70 PolarHBondContact O-N 3.05Å; Y66-E70 PolarHBondContact OH-OE1 3.03Å; Y66-S146 WeakPolarHBondContact CE1-OG 3.34Å; Y66-S146 VanDerWaalsContact CZ-OG 3.28Å; Y66-S146 WeakPolarHBondContact OH-CB 3.37Å; Y66-S146 PolarHBondContact OH-OG 2.93Å; Y66-S146 VanDerWaalsContact OH-OG 3.1Å; Y66-I153 HydrophobicContact CD2-CB 4.32Å; Y66-I153 HydrophobicContact CD2-CD1 4.33Å; Y66-I153 HydrophobicContact CD2-CG1 4.17Å; Y66-I153 HydrophobicContact CD2-CG2 3.33Å; Y66-I153 HydrophobicContact CE1-CD1 3.98Å; Y66-I153 HydrophobicContact CE2-CB 4.04Å; Y66-I153 HydrophobicContact CE2-CD1 3.54Å; Y66-I153 HydrophobicContact CE2-CG1 3.41Å; Y66-I153 VanDerWaalsContact CE2-CG1 3.41Å; Y66-I153 HydrophobicContact CE2-CG2 3.52Å; Y66-I153 HydrophobicContact CG-CG2 3.97Å; Y66-I153 VanDerWaalsContact OH-CD1 3.22Å; Y66-I153 WeakPolarHBondContact OH-CD1 3.44Å |
| 67 | S | 76.9 | Confident | 86 | Confident | 4 Ų | 4 | 17.3 Ų | 17.3 | 3% | 0.028 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.3 | -33.8 | 179.4 | 55.5 | 0 | 0 | 0 | 0 | 111.6 | C65 E70 Y71 R195 | C65-S67 PolarHBondContact O-N 3.06Å; C65-S67 PolarHBondContact SG-OG 2.86Å; S67-E70 PolarHBondContact O-N 3.14Å; S67-Y71 VanDerWaalsContact O-CB 3.27Å; S67-Y71 WeakPolarHBondContact O-CB 3.03Å; S67-Y71 PolarHBondContact O-N 2.92Å; S67-R195 WeakPolarHBondContact CB-O 3.34Å; S67-R195 PolarHBondContact OG-O 2.89Å |
| 68 | C | 82.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.8 | -37.4 | 172.3 | -61.7 | 0 | 0 | 0 | 0 | 112 | V60 C65 Y66 Y71 V72 H198 | V60-C68 HydrophobicContact CB-CB 4.05Å; V60-C68 HydrophobicContact CG1-CB 4.14Å; C65-C68 HydrophobicContact CB-CB 3.82Å; C65-C68 WeakPolarHBondContact O-CB 3.39Å; C65-C68 PolarHBondContact O-N 3Å; C65-C68 PolarHBondContact SG-SG 3.39Å; Y66-C68 VanDerWaalsContact C-N 3.26Å; Y66-C68 PolarHBondContact O-N 2.82Å; C68-Y71 PolarHBondContact O-N 2.69Å; C68-V72 WeakPolarHBondContact O-CB 3.32Å; C68-V72 VanDerWaalsContact O-CG2 3.26Å; C68-V72 WeakPolarHBondContact O-CG2 3.38Å; C68-V72 PolarHBondContact O-N 3.34Å; C68-H198 VanDerWaalsContact SG-CE1 3.57Å |
| 69 | K | 85.9 | Confident | 85.6 | Confident | 45 Ų | 45 | 19.6 Ų | 19.6 | 20% | 0.196 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.8 | -51.5 | 173.4 | -174.5 | -83 | 168.4 | -161.5 | 0 | 110.5 | C65 Y66 Y71 V72 D73 L107 T108 | C65-K69 PolarHBondContact O-N 2.74Å; Y66-K69 WeakPolarHBondContact O-CB 3.37Å; Y66-K69 PolarHBondContact O-N 2.88Å; Y66-K69 VanDerWaalsContact O-N 3.09Å; K69-Y71 VanDerWaalsContact C-N 3.31Å; K69-Y71 PolarHBondContact O-N 3.1Å; K69-V72 PolarHBondContact O-N 3.22Å; K69-D73 IonicContact NZ-OD1 2.6Å; K69-D73 PolarHBondContact NZ-OD1 2.88Å; K69-D73 WeakPolarHBondContact O-CB 3.29Å; K69-D73 PolarHBondContact O-N 3.26Å; K69-L107 VanDerWaalsContact CE-O 3.24Å; K69-L107 WeakPolarHBondContact CE-O 3.34Å; K69-L107 HydrophobicContact CG-CD2 3.99Å; K69-L107 HydrophobicContact CG-CG 4.27Å; K69-L107 PolarHBondContact NZ-O 3.35Å; K69-T108 HydrophobicContact CD-CG2 4.43Å; K69-T108 HydrophobicContact CG-CG2 3.94Å |
| 70 | E | 85.7 | Confident | 85.5 | Confident | 19 Ų | 19 | 27.7 Ų | 27.7 | 9% | 0.089 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 179.6 | -72.5 | -169.1 | 136.5 | 0 | 0 | 111.8 | Y66 S67 V72 D73 D74 V144 K145 S146 | Y66-E70 HydrophobicContact CE1-CG 3.78Å; Y66-E70 WeakPolarHBondContact CE1-OE2 3.21Å; Y66-E70 HydrophobicContact CE2-CG 4.23Å; Y66-E70 VanDerWaalsContact CZ-OE1 3.32Å; Y66-E70 PolarHBondContact O-N 3.05Å; Y66-E70 PolarHBondContact OH-OE1 3.03Å; S67-E70 PolarHBondContact O-N 3.14Å; E70-V72 PolarHBondContact O-N 3.21Å; E70-D73 WeakPolarHBondContact O-CB 3.4Å; E70-D73 PolarHBondContact O-N 2.95Å; E70-D74 PolarHBondContact O-N 2.83Å; E70-V144 WeakPolarHBondContact OE2-CA 3.24Å; E70-V144 WeakPolarHBondContact OE2-CG1 3.26Å; E70-K145 PolarHBondContact OE1-N 2.86Å; E70-K145 PolarHBondContact OE2-N 3.47Å; E70-K145 VanDerWaalsContact OE2-N 3.1Å; E70-S146 PolarHBondContact OE1-N 2.59Å |
| 71 | Y | 89.1 | Confident | 85.6 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 176.1 | -170.8 | -107.2 | 0 | 0 | 0 | 112 | I58 S67 C68 K69 D74 L75 H143 H198 M199 I201 L204 | I58-Y71 HydrophobicContact CD1-CE1 4.48Å; I58-Y71 HydrophobicContact CG2-CD1 4.28Å; I58-Y71 HydrophobicContact CG2-CE1 3.8Å; S67-Y71 VanDerWaalsContact O-CB 3.27Å; S67-Y71 WeakPolarHBondContact O-CB 3.03Å; S67-Y71 PolarHBondContact O-N 2.92Å; C68-Y71 PolarHBondContact O-N 2.69Å; K69-Y71 VanDerWaalsContact C-N 3.31Å; K69-Y71 PolarHBondContact O-N 3.1Å; Y71-D74 PolarHBondContact O-N 3.48Å; Y71-L75 HydrophobicContact CD1-CD1 3.79Å; Y71-L75 HydrophobicContact CD1-CG 4.31Å; Y71-L75 HydrophobicContact CE1-CD1 3.67Å; Y71-L75 HydrophobicContact CE1-CD2 4.47Å; Y71-L75 HydrophobicContact CE1-CG 4.14Å; Y71-L75 WeakPolarHBondContact O-CG 3.39Å; Y71-L75 PolarHBondContact O-N 3.35Å; Y71-H143 HydrophobicContact CD2-CB 3.93Å; Y71-H143 AromaticContact CD2-CG 3.86Å; Y71-H198 HydrophobicContact CD2-CB 3.65Å; Y71-H198 HydrophobicContact CE2-CB 3.66Å; Y71-H198 HydrophobicContact CG-CB 4.1Å; Y71-H198 AromaticContact CG-CD2 3.98Å; Y71-M199 VanDerWaalsContact CE2-O 3.26Å; Y71-M199 WeakPolarHBondContact CE2-O 3.4Å; Y71-M199 PolarHBondContact OH-O 3.16Å; Y71-I201 HydrophobicContact CD2-CD1 4.35Å; Y71-I201 HydrophobicContact CD2-CG1 4.32Å; Y71-I201 HydrophobicContact CE2-CD1 4.09Å; Y71-I201 HydrophobicContact CE2-CG1 3.57Å; Y71-L204 VanDerWaalsContact OH-CD1 3.32Å; Y71-L204 WeakPolarHBondContact OH-CD1 3.21Å |
| 72 | V | 92.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.7 | -31.9 | 177.4 | 175.7 | 0 | 0 | 0 | 0 | 112.4 | V60 C68 K69 E70 D74 L75 S76 V92 F104 T108 Y110 | V60-V72 HydrophobicContact CG1-CG2 3.86Å; C68-V72 WeakPolarHBondContact O-CB 3.32Å; C68-V72 VanDerWaalsContact O-CG2 3.26Å; C68-V72 WeakPolarHBondContact O-CG2 3.38Å; C68-V72 PolarHBondContact O-N 3.34Å; K69-V72 PolarHBondContact O-N 3.22Å; E70-V72 PolarHBondContact O-N 3.21Å; V72-D74 VanDerWaalsContact C-N 3.27Å; V72-D74 PolarHBondContact O-N 3.21Å; V72-L75 HydrophobicContact CG2-CD1 4.26Å; V72-L75 PolarHBondContact O-N 2.86Å; V72-S76 PolarHBondContact O-N 3.47Å; V72-V92 HydrophobicContact CG2-CG1 4.46Å; V72-V92 HydrophobicContact CG2-CG2 4.3Å; V72-F104 HydrophobicContact CB-CE1 4.1Å; V72-F104 HydrophobicContact CB-CZ 3.99Å; V72-F104 HydrophobicContact CG1-CE1 3.76Å; V72-F104 HydrophobicContact CG1-CZ 4.14Å; V72-F104 HydrophobicContact CG2-CE1 4Å; V72-F104 HydrophobicContact CG2-CZ 3.93Å; V72-T108 HydrophobicContact CB-CG2 4.15Å; V72-T108 HydrophobicContact CG1-CG2 3.94Å; V72-Y110 HydrophobicContact CG1-CD1 4.48Å; V72-Y110 HydrophobicContact CG1-CD2 3.78Å; V72-Y110 HydrophobicContact CG1-CG 3.74Å |
| 73 | D | 90.7 | Very high | 87 | Confident | 42 Ų | 42 | 34.1 Ų | 34.1 | 23% | 0.225 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.7 | -33.7 | 169.9 | -171.2 | 96.8 | 0 | 0 | 0 | 112.3 | K69 E70 S76 K77 | K69-D73 IonicContact NZ-OD1 2.6Å; K69-D73 PolarHBondContact NZ-OD1 2.88Å; K69-D73 WeakPolarHBondContact O-CB 3.29Å; K69-D73 PolarHBondContact O-N 3.26Å; E70-D73 WeakPolarHBondContact O-CB 3.4Å; E70-D73 PolarHBondContact O-N 2.95Å; D73-S76 PolarHBondContact O-OG 3Å; D73-K77 WeakPolarHBondContact O-CE 3.49Å; D73-K77 PolarHBondContact O-NZ 3.33Å; D73-K77 IonicContact OD2-NZ 3.13Å; D73-K77 PolarHBondContact OD2-NZ 3.27Å |
| 74 | D | 90.8 | Very high | 87.9 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.011 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -77.6 | -36.7 | 171.9 | -77.7 | -18.8 | 0 | 0 | 0 | 112.1 | E70 Y71 V72 S76 K77 H143 K145 I201 F216 | E70-D74 PolarHBondContact O-N 2.83Å; Y71-D74 PolarHBondContact O-N 3.48Å; V72-D74 VanDerWaalsContact C-N 3.27Å; V72-D74 PolarHBondContact O-N 3.21Å; D74-S76 PolarHBondContact O-N 2.92Å; D74-K77 WeakPolarHBondContact O-CB 3.42Å; D74-K77 PolarHBondContact O-N 2.79Å; D74-K77 VanDerWaalsContact O-N 3.11Å; D74-K77 IonicContact OD1-NZ 3.91Å; D74-K77 PolarHBondContact OD1-NZ 2.97Å; D74-H143 IonicContact OD2-CD2 3.39Å; D74-K145 VanDerWaalsContact CG-NZ 3.28Å; D74-K145 IonicContact OD1-NZ 3.97Å; D74-K145 PolarHBondContact OD1-NZ 3.33Å; D74-K145 VanDerWaalsContact OD2-CE 3.23Å; D74-K145 WeakPolarHBondContact OD2-CE 3.13Å; D74-K145 IonicContact OD2-NZ 3.75Å; D74-K145 PolarHBondContact OD2-NZ 2.78Å; D74-K145 VanDerWaalsContact OD2-NZ 3.13Å; D74-I201 HydrophobicContact CB-CD1 3.6Å; D74-F216 HydrophobicContact CB-CD1 4.4Å; D74-F216 WeakPolarHBondContact O-CE1 3.15Å |
| 75 | L | 94.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.5 | -30.8 | 172.2 | -72.1 | 170.2 | 0 | 0 | 0 | 112.3 | I58 Y71 V72 K77 V78 L90 V92 Y110 I201 | I58-L75 HydrophobicContact CB-CD1 4.47Å; I58-L75 HydrophobicContact CG1-CD1 4.01Å; I58-L75 HydrophobicContact CG2-CD1 4.23Å; Y71-L75 HydrophobicContact CD1-CD1 3.79Å; Y71-L75 HydrophobicContact CD1-CG 4.31Å; Y71-L75 HydrophobicContact CE1-CD1 3.67Å; Y71-L75 HydrophobicContact CE1-CD2 4.47Å; Y71-L75 HydrophobicContact CE1-CG 4.14Å; Y71-L75 WeakPolarHBondContact O-CG 3.39Å; Y71-L75 PolarHBondContact O-N 3.35Å; V72-L75 HydrophobicContact CG2-CD1 4.26Å; V72-L75 PolarHBondContact O-N 2.86Å; L75-K77 PolarHBondContact O-N 2.79Å; L75-V78 WeakPolarHBondContact O-CB 3.45Å; L75-V78 VanDerWaalsContact O-CG2 3.31Å; L75-V78 WeakPolarHBondContact O-CG2 2.84Å; L75-V78 PolarHBondContact O-N 3.42Å; L75-L90 HydrophobicContact CD2-CD1 4.18Å; L75-L90 HydrophobicContact CD2-CD2 4.16Å; L75-V92 HydrophobicContact CD1-CG2 4.06Å; L75-Y110 HydrophobicContact CB-CD2 4.12Å; L75-Y110 HydrophobicContact CB-CE2 3.84Å; L75-I201 HydrophobicContact CB-CD1 4.42Å; L75-I201 HydrophobicContact CD2-CB 4.39Å; L75-I201 HydrophobicContact CD2-CD1 3.73Å; L75-I201 HydrophobicContact CD2-CG1 3.7Å; L75-I201 HydrophobicContact CD2-CG2 3.86Å; L75-I201 HydrophobicContact CG-CD1 3.74Å; L75-I201 HydrophobicContact CG-CG1 4.18Å |
| 76 | S | 94.3 | Very high | 90.1 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -15.4 | 178.1 | 77.3 | 0 | 0 | 0 | 0 | 113.7 | V72 D73 D74 V78 T108 | V72-S76 PolarHBondContact O-N 3.47Å; D73-S76 PolarHBondContact O-OG 3Å; D74-S76 PolarHBondContact O-N 2.92Å; S76-V78 VanDerWaalsContact C-N 3.32Å; S76-T108 WeakPolarHBondContact CB-O 3.33Å; S76-T108 PolarHBondContact OG-O 3.13Å |
| 77 | K | 94.4 | Very high | 91.1 | Very high | 102 Ų | 102 | 44.8 Ų | 44.8 | 44% | 0.443 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -7.5 | 178.1 | -62.6 | 161.8 | -165.5 | 150 | 0 | 112.4 | D73 D74 L75 P79 F216 | D73-K77 WeakPolarHBondContact O-CE 3.49Å; D73-K77 PolarHBondContact O-NZ 3.33Å; D73-K77 IonicContact OD2-NZ 3.13Å; D73-K77 PolarHBondContact OD2-NZ 3.27Å; D74-K77 WeakPolarHBondContact O-CB 3.42Å; D74-K77 PolarHBondContact O-N 2.79Å; D74-K77 VanDerWaalsContact O-N 3.11Å; D74-K77 IonicContact OD1-NZ 3.91Å; D74-K77 PolarHBondContact OD1-NZ 2.97Å; L75-K77 PolarHBondContact O-N 2.79Å; K77-P79 VanDerWaalsContact O-CD 3.32Å; K77-P79 WeakPolarHBondContact O-CD 3.26Å; K77-F216 HydrophobicContact CB-CE1 4.48Å |
| 78 | V | 93.4 | Very high | 92 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -67.7 | 120 | 176.7 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | L75 S76 R80 L83 L90 H112 I201 L205 L214 F216 | L75-V78 WeakPolarHBondContact O-CB 3.45Å; L75-V78 VanDerWaalsContact O-CG2 3.31Å; L75-V78 WeakPolarHBondContact O-CG2 2.84Å; L75-V78 PolarHBondContact O-N 3.42Å; S76-V78 VanDerWaalsContact C-N 3.32Å; V78-R80 PolarHBondContact O-N 3.34Å; V78-L83 HydrophobicContact CG1-CD1 3.93Å; V78-L83 HydrophobicContact CG1-CD2 4.03Å; V78-L83 HydrophobicContact CG1-CG 3.9Å; V78-L90 HydrophobicContact CB-CD2 4.08Å; V78-L90 HydrophobicContact CG1-CD2 4.24Å; V78-L90 HydrophobicContact CG2-CD2 4.14Å; V78-H112 PolarHBondContact O-CE1 3.49Å; V78-H112 PolarHBondContact O-NE2 3.26Å; V78-H112 VanDerWaalsContact O-NE2 3.08Å; V78-I201 HydrophobicContact CG2-CG2 3.93Å; V78-L205 HydrophobicContact CG1-CD1 3.92Å; V78-L205 HydrophobicContact CG1-CD2 4.29Å; V78-L205 HydrophobicContact CG2-CD1 3.8Å; V78-L214 HydrophobicContact CG1-CD1 4.2Å; V78-L214 HydrophobicContact CG2-CD1 4.42Å; V78-F216 HydrophobicContact CG2-CZ 4.14Å |
| 79 | P | 93 | Very high | 92.7 | Very high | 50 Ų | 50 | 47.8 Ų | 47.8 | 33% | 0.325 | 24% | 0.238 | S | C | . | . | trans | -66.5 | 126.4 | -178.3 | -21 | 33.2 | 0 | 0 | 0 | 111.2 | K77 K81 A82 L83 L214 | K77-P79 VanDerWaalsContact O-CD 3.32Å; K77-P79 WeakPolarHBondContact O-CD 3.26Å; P79-K81 PolarHBondContact O-N 2.99Å; P79-A82 HydrophobicContact CB-CB 4.21Å; P79-A82 WeakPolarHBondContact O-CB 3.25Å; P79-A82 PolarHBondContact O-N 3.46Å; P79-L83 PolarHBondContact O-N 3.45Å; P79-L214 VanDerWaalsContact CD-CD2 3.45Å; P79-L214 HydrophobicContact CG-CD2 3.87Å | ||
| 80 | R | 94.2 | Very high | 93.3 | Very high | 171 Ų | 171 | 45.9 Ų | 45.9 | 65% | 0.645 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -53.7 | -40.3 | 175.8 | -178.8 | 173 | 170.9 | 162.2 | 0.9 | 112.6 | V78 A82 L83 E84 | V78-R80 PolarHBondContact O-N 3.34Å; R80-A82 VanDerWaalsContact C-N 3.29Å; R80-A82 PolarHBondContact O-N 2.85Å; R80-L83 WeakPolarHBondContact O-CB 3.4Å; R80-L83 PolarHBondContact O-N 2.85Å; R80-L83 VanDerWaalsContact O-N 3.16Å; R80-E84 HydrophobicContact CG-CG 4.27Å; R80-E84 WeakPolarHBondContact CG-OE1 3.35Å; R80-E84 IonicContact CZ-OE1 3.96Å; R80-E84 IonicContact NE-OE1 3.63Å; R80-E84 PolarHBondContact NE-OE1 3.37Å; R80-E84 IonicContact NH2-OE1 3.97Å; R80-E84 PolarHBondContact NH2-OE1 2.95Å; R80-E84 WeakPolarHBondContact O-CG 3.49Å; R80-E84 PolarHBondContact O-N 3.31Å |
| 81 | K | 93.2 | Very high | 93.9 | Very high | 139 Ų | 139 | 45 Ų | 45 | 60% | 0.604 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -58.3 | -38.6 | 176.8 | -176.6 | 174.1 | 172.7 | 177.7 | 0 | 112.8 | P79 L83 E84 E85 | P79-K81 PolarHBondContact O-N 2.99Å; K81-L83 VanDerWaalsContact C-N 3.32Å; K81-L83 PolarHBondContact O-N 2.9Å; K81-E84 PolarHBondContact O-N 3.15Å; K81-E85 WeakPolarHBondContact CE-OE1 3.33Å; K81-E85 HydrophobicContact CG-CG 4.33Å; K81-E85 IonicContact NZ-OE1 3.61Å; K81-E85 WeakPolarHBondContact O-CB 3.23Å; K81-E85 VanDerWaalsContact O-CG 3.29Å; K81-E85 WeakPolarHBondContact O-CG 3.37Å; K81-E85 PolarHBondContact O-N 2.79Å |
| 82 | A | 92.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66 | -36.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P79 R80 A86 V210 Q212 | P79-A82 HydrophobicContact CB-CB 4.21Å; P79-A82 WeakPolarHBondContact O-CB 3.25Å; P79-A82 PolarHBondContact O-N 3.46Å; R80-A82 VanDerWaalsContact C-N 3.29Å; R80-A82 PolarHBondContact O-N 2.85Å; A82-A86 WeakPolarHBondContact O-CB 3.38Å; A82-A86 PolarHBondContact O-N 3.05Å; A82-V210 HydrophobicContact CB-CG1 4.23Å; A82-Q212 VanDerWaalsContact CB-OE1 3.22Å |
| 83 | L | 94.9 | Very high | 94.5 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.8 | -43.9 | 176 | -65 | 174.5 | 0 | 0 | 0 | 111.4 | V78 P79 R80 K81 A86 G87 I88 L90 L205 V210 | V78-L83 HydrophobicContact CG1-CD1 3.93Å; V78-L83 HydrophobicContact CG1-CD2 4.03Å; V78-L83 HydrophobicContact CG1-CG 3.9Å; P79-L83 PolarHBondContact O-N 3.45Å; R80-L83 WeakPolarHBondContact O-CB 3.4Å; R80-L83 PolarHBondContact O-N 2.85Å; R80-L83 VanDerWaalsContact O-N 3.16Å; K81-L83 VanDerWaalsContact C-N 3.32Å; K81-L83 PolarHBondContact O-N 2.9Å; L83-A86 CarbonylContact O-C 3.55Å; L83-A86 PolarHBondContact O-N 2.97Å; L83-G87 PolarHBondContact O-N 3.1Å; L83-I88 WeakPolarHBondContact CB-O 3.41Å; L83-I88 HydrophobicContact CD2-CG2 4.32Å; L83-I88 PolarHBondContact O-N 2.87Å; L83-L90 HydrophobicContact CD1-CB 3.61Å; L83-L90 HydrophobicContact CD1-CD2 4.2Å; L83-L90 HydrophobicContact CD2-CB 4.26Å; L83-L205 HydrophobicContact CD2-CD2 3.91Å; L83-V210 HydrophobicContact CD2-CG2 4.37Å |
| 84 | E | 94.2 | Very high | 94.6 | Very high | 114 Ų | 114 | 42.8 Ų | 42.8 | 53% | 0.533 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.9 | -46.6 | 177.9 | -72.7 | 173 | 172.1 | 0 | 0 | 112.1 | R80 K81 A86 G87 | R80-E84 HydrophobicContact CG-CG 4.27Å; R80-E84 WeakPolarHBondContact CG-OE1 3.35Å; R80-E84 IonicContact CZ-OE1 3.96Å; R80-E84 IonicContact NE-OE1 3.63Å; R80-E84 PolarHBondContact NE-OE1 3.37Å; R80-E84 IonicContact NH2-OE1 3.97Å; R80-E84 PolarHBondContact NH2-OE1 2.95Å; R80-E84 WeakPolarHBondContact O-CG 3.49Å; R80-E84 PolarHBondContact O-N 3.31Å; K81-E84 PolarHBondContact O-N 3.15Å; E84-A86 PolarHBondContact O-N 2.88Å; E84-G87 PolarHBondContact O-N 3.08Å; E84-G87 VanDerWaalsContact O-N 3.08Å |
| 85 | E | 93.2 | Very high | 94.4 | Very high | 120 Ų | 120 | 43.1 Ų | 43.1 | 56% | 0.561 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -61.1 | -32 | 176.5 | -75.1 | 174.3 | 172.2 | 0 | 0 | 112.5 | K81 Q212 | K81-E85 WeakPolarHBondContact CE-OE1 3.33Å; K81-E85 HydrophobicContact CG-CG 4.33Å; K81-E85 IonicContact NZ-OE1 3.61Å; K81-E85 WeakPolarHBondContact O-CB 3.23Å; K81-E85 VanDerWaalsContact O-CG 3.29Å; K81-E85 WeakPolarHBondContact O-CG 3.37Å; K81-E85 PolarHBondContact O-N 2.79Å; E85-Q212 PolarHBondContact OE2-NE2 3.19Å |
| 86 | A | 92.7 | Very high | 93.9 | Very high | 39 Ų | 39 | 43.4 Ų | 43.4 | 32% | 0.322 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -6.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | A82 L83 E84 I88 V210 | A82-A86 WeakPolarHBondContact O-CB 3.38Å; A82-A86 PolarHBondContact O-N 3.05Å; L83-A86 CarbonylContact O-C 3.55Å; L83-A86 PolarHBondContact O-N 2.97Å; E84-A86 PolarHBondContact O-N 2.88Å; A86-I88 VanDerWaalsContact C-N 3.26Å; A86-I88 HydrophobicContact CB-CB 4.5Å; A86-I88 HydrophobicContact CB-CD1 3.56Å; A86-I88 HydrophobicContact CB-CG1 4.08Å; A86-I88 PolarHBondContact O-N 2.86Å; A86-V210 HydrophobicContact CB-CG2 4.16Å |
| 87 | G | 94.9 | Very high | 93.7 | Very high | 47 Ų | 47 | 43.7 Ų | 43.7 | 49% | 0.485 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 31.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L83 E84 | L83-G87 PolarHBondContact O-N 3.1Å; E84-G87 PolarHBondContact O-N 3.08Å; E84-G87 VanDerWaalsContact O-N 3.08Å |
| 88 | I | 95.8 | Very high | 93.6 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 5% | 0.051 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 137.7 | -175.5 | -65.9 | 159.4 | 0 | 0 | 0 | 109.7 | K54 V56 L83 A86 A208 V210 | K54-I88 HydrophobicContact CB-CG1 4.47Å; K54-I88 HydrophobicContact CD-CG1 4.49Å; K54-I88 WeakPolarHBondContact O-CA 3.37Å; V56-I88 HydrophobicContact CG2-CG2 3.97Å; L83-I88 WeakPolarHBondContact CB-O 3.41Å; L83-I88 HydrophobicContact CD2-CG2 4.32Å; L83-I88 PolarHBondContact O-N 2.87Å; A86-I88 VanDerWaalsContact C-N 3.26Å; A86-I88 HydrophobicContact CB-CB 4.5Å; A86-I88 HydrophobicContact CB-CD1 3.56Å; A86-I88 HydrophobicContact CB-CG1 4.08Å; A86-I88 PolarHBondContact O-N 2.86Å; I88-A208 VanDerWaalsContact CD1-C 3.47Å; I88-A208 HydrophobicContact CD1-CB 3.71Å; I88-A208 VanDerWaalsContact CD1-O 3.24Å; I88-A208 WeakPolarHBondContact CD1-O 3.47Å; I88-A208 HydrophobicContact CG1-CB 4.41Å; I88-A208 HydrophobicContact CG2-CB 4.19Å; I88-V210 HydrophobicContact CD1-CG2 3.64Å |
| 89 | R | 97.3 | Very high | 93.4 | Very high | 56 Ų | 56 | 48.2 Ų | 48.2 | 21% | 0.211 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 144 | 169.1 | -59.7 | 166.5 | 63.8 | -170.3 | 0.9 | 110.3 | S48 L49 S53 K54 S55 V56 V91 E113 | S48-R89 PolarHBondContact O-NH1 2.97Å; L49-R89 VanDerWaalsContact C-NH1 3.31Å; L49-R89 VanDerWaalsContact CA-NH1 3.34Å; L49-R89 PolarHBondContact O-NH1 2.92Å; S53-R89 WeakPolarHBondContact OG-CD 3.35Å; K54-R89 PolarHBondContact O-N 3.03Å; S55-R89 CarbonylContact C-O 3.59Å; S55-R89 WeakPolarHBondContact CA-O 3.48Å; S55-R89 WeakPolarHBondContact OG-CB 3.34Å; V56-R89 PolarHBondContact N-O 3.32Å; R89-V91 HydrophobicContact CB-CG2 4.2Å; R89-E113 IonicContact CZ-OE1 3.43Å; R89-E113 IonicContact CZ-OE2 2.71Å; R89-E113 IonicContact NE-OE1 2.74Å; R89-E113 PolarHBondContact NE-OE1 3.19Å; R89-E113 IonicContact NE-OE2 2.78Å; R89-E113 IonicContact NH2-OE1 3.3Å; R89-E113 PolarHBondContact NH2-OE1 3.39Å; R89-E113 IonicContact NH2-OE2 3.25Å; R89-E113 PolarHBondContact NH2-OE2 3.04Å |
| 90 | L | 97.9 | Very high | 93.1 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 116.8 | 170.6 | -179.8 | 61 | 0 | 0 | 0 | 108 | V56 I58 L75 V78 L83 Y110 E113 | V56-L90 HydrophobicContact CB-CD1 3.89Å; V56-L90 HydrophobicContact CG1-CD1 3.84Å; I58-L90 HydrophobicContact CG1-CD1 4.34Å; L75-L90 HydrophobicContact CD2-CD1 4.18Å; L75-L90 HydrophobicContact CD2-CD2 4.16Å; V78-L90 HydrophobicContact CB-CD2 4.08Å; V78-L90 HydrophobicContact CG1-CD2 4.24Å; V78-L90 HydrophobicContact CG2-CD2 4.14Å; L83-L90 HydrophobicContact CD1-CB 3.61Å; L83-L90 HydrophobicContact CD1-CD2 4.2Å; L83-L90 HydrophobicContact CD2-CB 4.26Å; L90-Y110 PolarHBondContact O-OH 2.96Å; L90-E113 PolarHBondContact O-N 2.75Å |
| 91 | V | 98.3 | Very high | 93 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 132.7 | -171.1 | -172 | 0 | 0 | 0 | 0 | 110.2 | L49 V56 I57 I58 R89 I93 E113 Y115 | L49-V91 HydrophobicContact CD1-CG1 3.95Å; L49-V91 HydrophobicContact CD2-CG1 4.18Å; L49-V91 HydrophobicContact CD2-CG2 4.44Å; V56-V91 PolarHBondContact O-N 3.35Å; I57-V91 WeakPolarHBondContact CA-O 3.28Å; I58-V91 PolarHBondContact N-O 2.86Å; R89-V91 HydrophobicContact CB-CG2 4.2Å; V91-I93 HydrophobicContact CG1-CG1 4.45Å; V91-E113 CarbonylContact C-O 3.58Å; V91-E113 WeakPolarHBondContact CA-O 3.38Å; V91-E113 HydrophobicContact CG1-CB 4.32Å; V91-E113 HydrophobicContact CG2-CB 4.12Å; V91-Y115 HydrophobicContact CG1-CD2 3.58Å; V91-Y115 HydrophobicContact CG1-CE2 3.83Å |
| 92 | V | 98 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 134.1 | 168.8 | 169.3 | 0 | 0 | 0 | 0 | 110 | I58 V60 V72 L75 Y110 E113 I114 Y115 | I58-V92 HydrophobicContact CB-CG2 4.14Å; I58-V92 CarbonylContact O-C 3.5Å; I58-V92 WeakPolarHBondContact O-CA 3.44Å; V60-V92 HydrophobicContact CG1-CG1 4.04Å; V60-V92 HydrophobicContact CG2-CG1 4.28Å; V72-V92 HydrophobicContact CG2-CG1 4.46Å; V72-V92 HydrophobicContact CG2-CG2 4.3Å; L75-V92 HydrophobicContact CD1-CG2 4.06Å; V92-Y110 HydrophobicContact CB-CE1 4.1Å; V92-Y110 HydrophobicContact CG2-CE1 3.93Å; V92-Y110 HydrophobicContact CG2-CE2 4.03Å; V92-Y110 WeakPolarHBondContact CG2-OH 3.41Å; V92-E113 PolarHBondContact N-O 3.08Å; V92-I114 HydrophobicContact CB-CB 4.46Å; V92-I114 HydrophobicContact CB-CD1 4.3Å; V92-I114 HydrophobicContact CB-CG1 4.14Å; V92-I114 HydrophobicContact CG1-CD1 3.96Å; V92-I114 HydrophobicContact CG1-CG1 4.09Å; V92-I114 CarbonylContact O-C 3.53Å; V92-I114 VanDerWaalsContact O-CA 3.28Å; V92-I114 WeakPolarHBondContact O-CA 3.36Å; V92-Y115 PolarHBondContact O-N 3.03Å |
| 93 | I | 97.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.7 | 172 | -59.9 | -179.6 | 0 | 0 | 0 | 108.2 | I36 F46 L49 I57 I58 F59 V60 V91 Y115 D117 Y123 | I36-I93 HydrophobicContact CG2-CD1 4.46Å; F46-I93 HydrophobicContact CD2-CD1 4.01Å; F46-I93 HydrophobicContact CE2-CD1 3.56Å; L49-I93 HydrophobicContact CD1-CD1 3.81Å; L49-I93 HydrophobicContact CD1-CG1 4.49Å; I57-I93 HydrophobicContact CG2-CD1 3.62Å; I57-I93 HydrophobicContact CG2-CG1 4.14Å; I58-I93 PolarHBondContact O-N 2.92Å; F59-I93 HydrophobicContact CD1-CB 4.06Å; F59-I93 HydrophobicContact CD1-CD1 4.44Å; F59-I93 HydrophobicContact CD1-CG2 4.16Å; F59-I93 HydrophobicContact CE1-CB 4.27Å; F59-I93 HydrophobicContact CE1-CD1 3.82Å; F59-I93 HydrophobicContact CE1-CG2 4.26Å; F59-I93 HydrophobicContact CZ-CD1 4.06Å; V60-I93 WeakPolarHBondContact CG2-O 3.37Å; V60-I93 PolarHBondContact N-O 3.08Å; V91-I93 HydrophobicContact CG1-CG1 4.45Å; I93-Y115 WeakPolarHBondContact CA-O 3.31Å; I93-D117 HydrophobicContact CG2-CB 4.16Å; I93-Y123 HydrophobicContact CG2-CE2 4.21Å; I93-Y123 PolarHBondContact O-OH 3.36Å |
| 94 | G | 92.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 153.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F63 S96 Y115 V116 D117 | F63-G94 VanDerWaalsContact CE1-CA 3.47Å; G94-S96 PolarHBondContact O-N 3.28Å; G94-Y115 PolarHBondContact N-O 3.17Å; G94-V116 CarbonylContact O-C 3.49Å; G94-V116 WeakPolarHBondContact O-CA 3.38Å; G94-V116 WeakPolarHBondContact O-CB 3.47Å; G94-D117 PolarHBondContact O-N 3.29Å |
| 95 | Q | 86.9 | Confident | 92.2 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -90 | 83.2 | 164.2 | -176.6 | -162.7 | -13.8 | 0 | 0 | 109.6 | R61 R120 Q168 | R61-Q95 PolarHBondContact O-OE1 3.05Å; Q95-R120 HydrophobicContact CB-CG 4.32Å; Q95-R120 HydrophobicContact CG-CG 3.49Å; Q95-R120 VanDerWaalsContact CG-CG 3.49Å; Q95-R120 VanDerWaalsContact NE2-CD 3.27Å; Q95-R120 VanDerWaalsContact NE2-NE 3.16Å; Q95-Q168 VanDerWaalsContact O-O 3.1Å |
| 96 | S | 84.2 | Confident | 92 | Very high | 7 Ų | 7 | 37.1 Ų | 37.1 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -158.5 | -179.9 | 166.3 | 78.4 | 0 | 0 | 0 | 0 | 110.2 | F63 G94 V116 P118 | F63-S96 WeakPolarHBondContact CD2-OG 3.32Å; F63-S96 WeakPolarHBondContact CE2-OG 3.39Å; G94-S96 PolarHBondContact O-N 3.28Å; S96-V116 WeakPolarHBondContact O-CB 3.33Å; S96-V116 WeakPolarHBondContact O-CG2 3.13Å; S96-P118 WeakPolarHBondContact O-CG 3.32Å |
| 97 | T | 88.4 | Confident | 91.6 | Very high | 34 Ų | 34 | 37.9 Ų | 37.9 | 21% | 0.209 | 20% | 0.202 | C | C | . | . | trans | -74.8 | 153.2 | 165.3 | 48.5 | 0 | 0 | 0 | 0 | 111.7 | Q99 H100 Q168 | T97-Q99 PolarHBondContact O-N 3.41Å; T97-H100 PolarHBondContact O-N 2.95Å; T97-H100 VanDerWaalsContact O-N 3.08Å; T97-H100 PolarHBondContact OG1-CD2 2.76Å; T97-H100 VanDerWaalsContact OG1-CD2 3.26Å; T97-H100 PolarHBondContact OG1-NE2 3.02Å; T97-Q168 PolarHBondContact OG1-OE1 2.92Å | ||
| 98 | H | 92.3 | Very high | 91.3 | Very high | 63 Ų | 63 | 35.8 Ų | 35.8 | 29% | 0.292 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -57.7 | -25.9 | -175.3 | 65.1 | -87 | 0 | 0 | 0 | 114 | D38 H100 I101 V116 | D38-H98 WeakPolarHBondContact O-CB 3.33Å; H98-H100 PolarHBondContact O-N 3.2Å; H98-H100 VanDerWaalsContact O-N 3.14Å; H98-I101 HydrophobicContact CB-CD1 4.26Å; H98-I101 VanDerWaalsContact O-CB 3.3Å; H98-I101 WeakPolarHBondContact O-CB 3.18Å; H98-I101 WeakPolarHBondContact O-CG1 3.41Å; H98-I101 PolarHBondContact O-N 2.79Å; H98-V116 HydrophobicContact CB-CG2 4.11Å |
| 99 | Q | 89.9 | Confident | 91.1 | Very high | 137 Ų | 137 | 37.6 Ų | 37.6 | 64% | 0.64 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -58.7 | -24.5 | 178.5 | -65.3 | 174.6 | -26 | 0 | 0 | 112.9 | T97 P103 | T97-Q99 PolarHBondContact O-N 3.41Å; Q99-P103 WeakPolarHBondContact O-CD 3.41Å |
| 100 | H | 87.4 | Confident | 91 | Very high | 20 Ų | 20 | 35.2 Ų | 35.2 | 9% | 0.093 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -87.4 | -8.7 | 178.7 | -59.5 | -63 | 0 | 0 | 0 | 114 | F63 T97 H98 F104 F165 | F63-H100 HydrophobicContact CD2-CB 3.8Å; F63-H100 HydrophobicContact CE2-CB 4.3Å; T97-H100 PolarHBondContact O-N 2.95Å; T97-H100 VanDerWaalsContact O-N 3.08Å; T97-H100 PolarHBondContact OG1-CD2 2.76Å; T97-H100 VanDerWaalsContact OG1-CD2 3.26Å; T97-H100 PolarHBondContact OG1-NE2 3.02Å; H98-H100 PolarHBondContact O-N 3.2Å; H98-H100 VanDerWaalsContact O-N 3.14Å; H100-F104 VanDerWaalsContact O-CB 3.25Å; H100-F104 WeakPolarHBondContact O-CB 3.2Å; H100-F104 PolarHBondContact O-N 3.44Å; H100-F104 VanDerWaalsContact O-N 3.13Å; H100-F165 HydrophobicContact CB-CE1 4.11Å; H100-F165 AromaticContact CE1-CD1 3.57Å; H100-F165 AromaticContact CE1-CE1 3.83Å; H100-F165 AromaticContact CG-CE1 3.8Å; H100-F165 AromaticContact ND1-CD1 3.29Å; H100-F165 VanDerWaalsContact ND1-CD1 3.29Å; H100-F165 WeakPolarHBondContact ND1-CD1 3.47Å; H100-F165 AromaticContact ND1-CE1 3.05Å; H100-F165 WeakPolarHBondContact ND1-CE1 3.47Å; H100-F165 AromaticContact ND1-CG 4Å; H100-F165 AromaticContact ND1-CZ 3.58Å |
| 101 | I | 91.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.3 | -49.8 | 178.8 | -70.7 | 173.4 | 0 | 0 | 0 | 110.4 | R39 F63 H98 F104 C105 I114 V116 | R39-I101 HydrophobicContact CB-CB 4.23Å; R39-I101 HydrophobicContact CB-CD1 4.46Å; R39-I101 HydrophobicContact CB-CG2 3.78Å; F63-I101 HydrophobicContact CE2-CG1 4.02Å; F63-I101 HydrophobicContact CZ-CG1 4.28Å; H98-I101 HydrophobicContact CB-CD1 4.26Å; H98-I101 VanDerWaalsContact O-CB 3.3Å; H98-I101 WeakPolarHBondContact O-CB 3.18Å; H98-I101 WeakPolarHBondContact O-CG1 3.41Å; H98-I101 PolarHBondContact O-N 2.79Å; I101-F104 PolarHBondContact O-N 2.95Å; I101-C105 PolarHBondContact O-N 2.89Å; I101-I114 HydrophobicContact CG2-CB 4.46Å; I101-I114 HydrophobicContact CG2-CD1 4.46Å; I101-I114 HydrophobicContact CG2-CG1 4.34Å; I101-I114 HydrophobicContact CG2-CG2 3.4Å; I101-I114 VanDerWaalsContact CG2-CG2 3.4Å; I101-V116 HydrophobicContact CD1-CG1 3.9Å; I101-V116 HydrophobicContact CD1-CG2 4.28Å; I101-V116 HydrophobicContact CG1-CG1 3.79Å |
| 102 | E | 90.9 | Very high | 90.8 | Very high | 136 Ų | 136 | 40.2 Ų | 40.2 | 64% | 0.636 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -64.9 | -49.3 | -174.6 | 176.2 | 164.2 | -142.6 | 0 | 0 | 112.9 | F104 C105 L106 | E102-F104 VanDerWaalsContact C-N 3.27Å; E102-F104 PolarHBondContact O-N 2.8Å; E102-C105 PolarHBondContact O-N 2.65Å; E102-L106 HydrophobicContact CG-CD1 4.35Å; E102-L106 WeakPolarHBondContact O-CG 3.21Å; E102-L106 PolarHBondContact O-N 2.79Å |
| 103 | P | 87.4 | Confident | 90.8 | Very high | 51 Ų | 51 | 42.9 Ų | 42.9 | 33% | 0.331 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -54.8 | -40 | 170.7 | -28.6 | 35.5 | 0 | 0 | 0 | 114 | Q99 L106 L107 F165 | Q99-P103 WeakPolarHBondContact O-CD 3.41Å; P103-L106 PolarHBondContact O-N 3.39Å; P103-L107 WeakPolarHBondContact O-CB 3.42Å; P103-L107 PolarHBondContact O-N 3.36Å; P103-F165 HydrophobicContact CB-CE2 4.35Å; P103-F165 HydrophobicContact CB-CZ 3.72Å; P103-F165 HydrophobicContact CG-CZ 4.11Å |
| 104 | F | 88.2 | Confident | 90.8 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69 | -40.5 | -179.5 | -173.5 | -109.3 | 0 | 0 | 0 | 112.1 | F63 V72 H100 I101 E102 L107 T108 I114 | F63-F104 HydrophobicContact CB-CD2 3.81Å; F63-F104 HydrophobicContact CB-CE2 4.19Å; F63-F104 HydrophobicContact CB-CG 4.2Å; F63-F104 AromaticContact CD1-CD1 3.9Å; F63-F104 HydrophobicContact CD1-CD1 3.9Å; F63-F104 HydrophobicContact CD1-CD2 4.21Å; F63-F104 AromaticContact CD1-CE1 3.91Å; F63-F104 HydrophobicContact CD1-CE1 3.91Å; F63-F104 HydrophobicContact CD1-CE2 4.25Å; F63-F104 HydrophobicContact CD1-CG 4.04Å; F63-F104 HydrophobicContact CD1-CZ 4.1Å; F63-F104 HydrophobicContact CD2-CB 4.08Å; F63-F104 HydrophobicContact CD2-CG 4.21Å; F63-F104 AromaticContact CE1-CD1 3.95Å; F63-F104 HydrophobicContact CE1-CD1 3.95Å; F63-F104 HydrophobicContact CE1-CE1 4.03Å; F63-F104 HydrophobicContact CE1-CG 4.45Å; F63-F104 HydrophobicContact CE2-CB 4.45Å; F63-F104 HydrophobicContact CG-CB 4.26Å; F63-F104 HydrophobicContact CG-CD1 4.22Å; F63-F104 HydrophobicContact CG-CD2 4.02Å; F63-F104 HydrophobicContact CG-CE2 4.42Å; F63-F104 AromaticContact CG-CG 3.91Å; F63-F104 HydrophobicContact CG-CG 3.91Å; F63-F104 HydrophobicContact CZ-CD1 4.34Å; V72-F104 HydrophobicContact CB-CE1 4.1Å; V72-F104 HydrophobicContact CB-CZ 3.99Å; V72-F104 HydrophobicContact CG1-CE1 3.76Å; V72-F104 HydrophobicContact CG1-CZ 4.14Å; V72-F104 HydrophobicContact CG2-CE1 4Å; V72-F104 HydrophobicContact CG2-CZ 3.93Å; H100-F104 VanDerWaalsContact O-CB 3.25Å; H100-F104 WeakPolarHBondContact O-CB 3.2Å; H100-F104 PolarHBondContact O-N 3.44Å; H100-F104 VanDerWaalsContact O-N 3.13Å; I101-F104 PolarHBondContact O-N 2.95Å; E102-F104 VanDerWaalsContact C-N 3.27Å; E102-F104 PolarHBondContact O-N 2.8Å; F104-L107 PolarHBondContact O-N 3.38Å; F104-T108 HydrophobicContact CD2-CG2 4.41Å; F104-T108 HydrophobicContact CE1-CG2 4.34Å; F104-T108 HydrophobicContact CE2-CG2 4.08Å; F104-T108 HydrophobicContact CZ-CG2 4.04Å; F104-T108 WeakPolarHBondContact O-CB 3.28Å; F104-T108 WeakPolarHBondContact O-CG2 3.42Å; F104-T108 PolarHBondContact O-N 3.39Å; F104-T108 VanDerWaalsContact O-N 3.09Å; F104-T108 PolarHBondContact O-OG1 2.81Å; F104-I114 HydrophobicContact CD1-CD1 3.77Å; F104-I114 HydrophobicContact CE1-CD1 4.19Å |
| 105 | C | 90.9 | Very high | 91 | Very high | 18 Ų | 18 | 44.5 Ų | 44.5 | 12% | 0.122 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 171.3 | -78.9 | 0 | 0 | 0 | 0 | 111.9 | I101 E102 L107 T108 G109 Y110 | I101-C105 PolarHBondContact O-N 2.89Å; E102-C105 PolarHBondContact O-N 2.65Å; C105-L107 VanDerWaalsContact C-N 3.29Å; C105-L107 PolarHBondContact O-N 3.04Å; C105-T108 PolarHBondContact O-N 3.25Å; C105-T108 PolarHBondContact O-OG1 3.28Å; C105-G109 WeakPolarHBondContact O-CA 3.18Å; C105-G109 PolarHBondContact O-N 3.27Å; C105-Y110 PolarHBondContact O-N 3.31Å; C105-Y110 PolarHBondContact SG-O 3.29Å |
| 106 | L | 88.6 | Confident | 91.5 | Very high | 141 Ų | 141 | 44 Ų | 44 | 74% | 0.738 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60.7 | -39.7 | 177 | -71 | 171.1 | 0 | 0 | 0 | 112 | E102 P103 | E102-L106 HydrophobicContact CG-CD1 4.35Å; E102-L106 WeakPolarHBondContact O-CG 3.21Å; E102-L106 PolarHBondContact O-N 2.79Å; P103-L106 PolarHBondContact O-N 3.39Å |
| 107 | L | 85.2 | Confident | 92 | Very high | 56 Ų | 56 | 43.9 Ų | 43.9 | 29% | 0.293 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -71 | -30.6 | -179.7 | -178.8 | 64.1 | 0 | 0 | 0 | 113.8 | K69 P103 F104 C105 I156 M160 | K69-L107 VanDerWaalsContact CE-O 3.24Å; K69-L107 WeakPolarHBondContact CE-O 3.34Å; K69-L107 HydrophobicContact CG-CD2 3.99Å; K69-L107 HydrophobicContact CG-CG 4.27Å; K69-L107 PolarHBondContact NZ-O 3.35Å; P103-L107 WeakPolarHBondContact O-CB 3.42Å; P103-L107 PolarHBondContact O-N 3.36Å; F104-L107 PolarHBondContact O-N 3.38Å; C105-L107 VanDerWaalsContact C-N 3.29Å; C105-L107 PolarHBondContact O-N 3.04Å; L107-I156 HydrophobicContact CD1-CG2 4.09Å; L107-I156 HydrophobicContact CD2-CG2 4.36Å; L107-M160 HydrophobicContact CD2-CE 3.92Å; L107-M160 HydrophobicContact CD2-SD 3.48Å; L107-M160 WeakPolarHBondContact CD2-SD 3.41Å |
| 108 | T | 88.1 | Confident | 92.1 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -105.7 | -13.7 | -173.5 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | K69 V72 S76 F104 C105 Y110 | K69-T108 HydrophobicContact CD-CG2 4.43Å; K69-T108 HydrophobicContact CG-CG2 3.94Å; V72-T108 HydrophobicContact CB-CG2 4.15Å; V72-T108 HydrophobicContact CG1-CG2 3.94Å; S76-T108 WeakPolarHBondContact CB-O 3.33Å; S76-T108 PolarHBondContact OG-O 3.13Å; F104-T108 HydrophobicContact CD2-CG2 4.41Å; F104-T108 HydrophobicContact CE1-CG2 4.34Å; F104-T108 HydrophobicContact CE2-CG2 4.08Å; F104-T108 HydrophobicContact CZ-CG2 4.04Å; F104-T108 WeakPolarHBondContact O-CB 3.28Å; F104-T108 WeakPolarHBondContact O-CG2 3.42Å; F104-T108 PolarHBondContact O-N 3.39Å; F104-T108 VanDerWaalsContact O-N 3.09Å; F104-T108 PolarHBondContact O-OG1 2.81Å; C105-T108 PolarHBondContact O-N 3.25Å; C105-T108 PolarHBondContact O-OG1 3.28Å; T108-Y110 PolarHBondContact O-N 2.83Å; T108-Y110 VanDerWaalsContact OG1-CB 3.29Å; T108-Y110 WeakPolarHBondContact OG1-CB 3.44Å; T108-Y110 PolarHBondContact OG1-N 2.83Å |
| 109 | G | 91.9 | Very high | 91.9 | Very high | 48 Ų | 48 | 49.3 Ų | 49.3 | 50% | 0.495 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 9.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | C105 S111 | C105-G109 WeakPolarHBondContact O-CA 3.18Å; C105-G109 PolarHBondContact O-N 3.27Å; G109-S111 PolarHBondContact O-N 2.82Å |
| 110 | Y | 95.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 2% | 0.02 | 24% | 0.243 | C | C | . | . | trans | -68.9 | 118.1 | -175.5 | -171 | -100.6 | 0 | 0 | 0 | 111.4 | V72 L75 L90 V92 C105 T108 H112 E113 I114 | V72-Y110 HydrophobicContact CG1-CD1 4.48Å; V72-Y110 HydrophobicContact CG1-CD2 3.78Å; V72-Y110 HydrophobicContact CG1-CG 3.74Å; L75-Y110 HydrophobicContact CB-CD2 4.12Å; L75-Y110 HydrophobicContact CB-CE2 3.84Å; L90-Y110 PolarHBondContact O-OH 2.96Å; V92-Y110 HydrophobicContact CB-CE1 4.1Å; V92-Y110 HydrophobicContact CG2-CE1 3.93Å; V92-Y110 HydrophobicContact CG2-CE2 4.03Å; V92-Y110 WeakPolarHBondContact CG2-OH 3.41Å; C105-Y110 PolarHBondContact O-N 3.31Å; C105-Y110 PolarHBondContact SG-O 3.29Å; T108-Y110 PolarHBondContact O-N 2.83Å; T108-Y110 VanDerWaalsContact OG1-CB 3.29Å; T108-Y110 WeakPolarHBondContact OG1-CB 3.44Å; T108-Y110 PolarHBondContact OG1-N 2.83Å; Y110-H112 HydrophobicContact CE1-CB 3.93Å; Y110-H112 HydrophobicContact CE2-CB 4.06Å; Y110-H112 AromaticContact CE2-CD2 3.6Å; Y110-H112 WeakPolarHBondContact OH-CB 3.5Å; Y110-E113 WeakPolarHBondContact CE1-O 3.37Å; Y110-E113 PolarHBondContact OH-O 3.14Å; Y110-I114 HydrophobicContact CD1-CB 4.32Å; Y110-I114 HydrophobicContact CE1-CB 4.08Å | ||
| 111 | S | 95.3 | Very high | 92.2 | Very high | 90 Ų | 90 | 45.9 Ų | 45.9 | 63% | 0.629 | 25% | 0.253 | S | S | * | . | trans | -115.8 | -2.4 | -173.1 | 61.4 | 0 | 0 | 0 | 0 | 114.2 | G109 | G109-S111 PolarHBondContact O-N 2.82Š| ||
| 112 | H | 96.4 | Very high | 92.3 | Very high | 20 Ų | 20 | 45.9 Ų | 45.9 | 9% | 0.093 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -80.9 | -169.3 | 173.3 | -48.2 | -74.6 | 0 | 0 | 0 | 111.1 | V78 Y110 | V78-H112 PolarHBondContact O-CE1 3.49Å; V78-H112 PolarHBondContact O-NE2 3.26Å; V78-H112 VanDerWaalsContact O-NE2 3.08Å; Y110-H112 HydrophobicContact CE1-CB 3.93Å; Y110-H112 HydrophobicContact CE2-CB 4.06Å; Y110-H112 AromaticContact CE2-CD2 3.6Å; Y110-H112 WeakPolarHBondContact OH-CB 3.5Å |
| 113 | E | 97.1 | Very high | 92.3 | Very high | 56 Ų | 56 | 39.4 Ų | 39.4 | 26% | 0.262 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 131.8 | -175.2 | -65 | -172.7 | -108 | 0 | 0 | 111.7 | R89 L90 V91 V92 Y110 Y115 | R89-E113 IonicContact CZ-OE1 3.43Å; R89-E113 IonicContact CZ-OE2 2.71Å; R89-E113 IonicContact NE-OE1 2.74Å; R89-E113 PolarHBondContact NE-OE1 3.19Å; R89-E113 IonicContact NE-OE2 2.78Å; R89-E113 IonicContact NH2-OE1 3.3Å; R89-E113 PolarHBondContact NH2-OE1 3.39Å; R89-E113 IonicContact NH2-OE2 3.25Å; R89-E113 PolarHBondContact NH2-OE2 3.04Å; L90-E113 PolarHBondContact O-N 2.75Å; V91-E113 CarbonylContact C-O 3.58Å; V91-E113 WeakPolarHBondContact CA-O 3.38Å; V91-E113 HydrophobicContact CG1-CB 4.32Å; V91-E113 HydrophobicContact CG2-CB 4.12Å; V92-E113 PolarHBondContact N-O 3.08Å; Y110-E113 WeakPolarHBondContact CE1-O 3.37Å; Y110-E113 PolarHBondContact OH-O 3.14Å; E113-Y115 HydrophobicContact CB-CE2 3.99Å; E113-Y115 PolarHBondContact OE2-OH 3.23Å |
| 114 | I | 97.4 | Very high | 92.5 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 134.2 | 178.2 | -175.8 | 163.9 | 0 | 0 | 0 | 109.8 | F63 V92 I101 F104 Y110 | F63-I114 HydrophobicContact CE1-CD1 4.18Å; F63-I114 HydrophobicContact CZ-CD1 3.9Å; F63-I114 HydrophobicContact CZ-CG1 4.34Å; V92-I114 HydrophobicContact CB-CB 4.46Å; V92-I114 HydrophobicContact CB-CD1 4.3Å; V92-I114 HydrophobicContact CB-CG1 4.14Å; V92-I114 HydrophobicContact CG1-CD1 3.96Å; V92-I114 HydrophobicContact CG1-CG1 4.09Å; V92-I114 CarbonylContact O-C 3.53Å; V92-I114 VanDerWaalsContact O-CA 3.28Å; V92-I114 WeakPolarHBondContact O-CA 3.36Å; I101-I114 HydrophobicContact CG2-CB 4.46Å; I101-I114 HydrophobicContact CG2-CD1 4.46Å; I101-I114 HydrophobicContact CG2-CG1 4.34Å; I101-I114 HydrophobicContact CG2-CG2 3.4Å; I101-I114 VanDerWaalsContact CG2-CG2 3.4Å; F104-I114 HydrophobicContact CD1-CD1 3.77Å; F104-I114 HydrophobicContact CE1-CD1 4.19Å; Y110-I114 HydrophobicContact CD1-CB 4.32Å; Y110-I114 HydrophobicContact CE1-CB 4.08Å |
| 115 | Y | 97.9 | Very high | 92.6 | Very high | 27 Ų | 27 | 46.9 Ų | 46.9 | 11% | 0.106 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 170.3 | 178.6 | -58.1 | -92.1 | 0 | 0 | 0 | 110.1 | I36 Y37 D38 F44 L49 V91 V92 I93 G94 E113 | I36-Y115 HydrophobicContact CD1-CD1 3.94Å; I36-Y115 HydrophobicContact CD1-CD2 4.14Å; I36-Y115 HydrophobicContact CD1-CE1 4.4Å; I36-Y115 HydrophobicContact CD1-CG 3.81Å; I36-Y115 HydrophobicContact CG1-CD1 4.18Å; I36-Y115 HydrophobicContact CG1-CG 4.34Å; Y37-Y115 CarbonylContact O-C 3.56Å; Y37-Y115 WeakPolarHBondContact O-CA 3.43Å; Y37-Y115 WeakPolarHBondContact O-CB 3.32Å; D38-Y115 HydrophobicContact CB-CD1 4.02Å; D38-Y115 HydrophobicContact CB-CE1 3.97Å; F44-Y115 HydrophobicContact CD2-CD1 4.48Å; F44-Y115 HydrophobicContact CD2-CE1 4Å; F44-Y115 HydrophobicContact CE2-CE1 4.35Å; L49-Y115 HydrophobicContact CD2-CD2 3.99Å; L49-Y115 HydrophobicContact CD2-CE2 3.53Å; V91-Y115 HydrophobicContact CG1-CD2 3.58Å; V91-Y115 HydrophobicContact CG1-CE2 3.83Å; V92-Y115 PolarHBondContact O-N 3.03Å; I93-Y115 WeakPolarHBondContact CA-O 3.31Å; G94-Y115 PolarHBondContact N-O 3.17Å; E113-Y115 HydrophobicContact CB-CE2 3.99Å; E113-Y115 PolarHBondContact OE2-OH 3.23Å |
| 116 | V | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 148.9 | 171.4 | -68 | 0 | 0 | 0 | 0 | 112.5 | I36 Y37 F63 G94 S96 H98 I101 P118 | I36-V116 WeakPolarHBondContact CA-O 3.43Å; Y37-V116 PolarHBondContact N-O 3.13Å; Y37-V116 PolarHBondContact O-N 2.88Å; F63-V116 HydrophobicContact CE2-CG1 3.83Å; F63-V116 HydrophobicContact CZ-CG1 3.75Å; G94-V116 CarbonylContact O-C 3.49Å; G94-V116 WeakPolarHBondContact O-CA 3.38Å; G94-V116 WeakPolarHBondContact O-CB 3.47Å; S96-V116 WeakPolarHBondContact O-CB 3.33Å; S96-V116 WeakPolarHBondContact O-CG2 3.13Å; H98-V116 HydrophobicContact CB-CG2 4.11Å; I101-V116 HydrophobicContact CD1-CG1 3.9Å; I101-V116 HydrophobicContact CD1-CG2 4.28Å; I101-V116 HydrophobicContact CG1-CG1 3.79Å; V116-P118 HydrophobicContact CG2-CG 4.07Å |
| 117 | D | 94.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | trans | -117.3 | 82.6 | 166.5 | 174.9 | 13 | 0 | 0 | 0 | 108.6 | I93 G94 K119 R120 S121 I122 Y123 | I93-D117 HydrophobicContact CG2-CB 4.16Å; G94-D117 PolarHBondContact O-N 3.29Å; D117-K119 PolarHBondContact O-N 3.29Å; D117-R120 PolarHBondContact O-N 3.28Å; D117-R120 PolarHBondContact OD1-N 3.27Å; D117-R120 WeakPolarHBondContact OD2-CA 3.08Å; D117-S121 PolarHBondContact OD1-N 3.03Å; D117-S121 VanDerWaalsContact OD1-N 3.1Å; D117-S121 PolarHBondContact OD2-N 2.82Å; D117-I122 HydrophobicContact CB-CD1 4.35Å; D117-I122 WeakPolarHBondContact OD2-CB 3.32Å; D117-I122 PolarHBondContact OD2-N 3.25Å; D117-Y123 HydrophobicContact CB-CD2 4.48Å; D117-Y123 HydrophobicContact CB-CE2 4.24Å | ||
| 118 | P | 90.7 | Very high | 92.6 | Very high | 51 Ų | 51 | 39.9 Ų | 39.9 | 33% | 0.331 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.8 | -173.3 | -19.9 | 29.2 | 0 | 0 | 0 | 112.9 | Y37 S96 V116 | Y37-P118 HydrophobicContact CD2-CG 4.11Å; Y37-P118 HydrophobicContact CE2-CG 4.42Å; S96-P118 WeakPolarHBondContact O-CG 3.32Å; V116-P118 HydrophobicContact CG2-CG 4.07Å |
| 119 | K | 89.5 | Confident | 92 | Very high | 161 Ų | 161 | 45.6 Ų | 45.6 | 70% | 0.7 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -4 | -179.4 | -67 | -174.9 | -179.5 | 178.1 | 0 | 112.9 | D117 S121 | D117-K119 PolarHBondContact O-N 3.29Å; K119-S121 PolarHBondContact O-N 2.71Å; K119-S121 VanDerWaalsContact O-N 3.14Å |
| 120 | R | 90.1 | Very high | 90.7 | Very high | 42 Ų | 42 | 49.2 Ų | 49.2 | 16% | 0.158 | 25% | 0.25 | C | S | . | . | trans | 53.6 | 27.5 | -174.3 | -64.6 | -179.9 | -85.4 | -173 | -6.7 | 113.9 | Q95 D117 I122 Y123 L124 R130 D170 | Q95-R120 HydrophobicContact CB-CG 4.32Å; Q95-R120 HydrophobicContact CG-CG 3.49Å; Q95-R120 VanDerWaalsContact CG-CG 3.49Å; Q95-R120 VanDerWaalsContact NE2-CD 3.27Å; Q95-R120 VanDerWaalsContact NE2-NE 3.16Å; D117-R120 PolarHBondContact O-N 3.28Å; D117-R120 PolarHBondContact OD1-N 3.27Å; D117-R120 WeakPolarHBondContact OD2-CA 3.08Å; R120-I122 PolarHBondContact O-N 2.93Å; R120-Y123 HydrophobicContact CB-CD2 4.28Å; R120-Y123 HydrophobicContact CB-CG 4.46Å; R120-Y123 HydrophobicContact CG-CD2 4.35Å; R120-Y123 PolarHBondContact O-N 3.17Å; R120-L124 HydrophobicContact CB-CG 4.42Å; R120-L124 WeakPolarHBondContact O-CB 3.42Å; R120-L124 VanDerWaalsContact O-CG 3.26Å; R120-L124 WeakPolarHBondContact O-CG 3.38Å; R120-L124 PolarHBondContact O-N 3.49Å; R120-R130 VanDerWaalsContact NH1-CZ 3.3Å; R120-R130 VanDerWaalsContact NH1-NE 3.16Å; R120-R130 VanDerWaalsContact NH1-NH2 3.14Å; R120-D170 IonicContact CZ-OD2 2.68Å; R120-D170 IonicContact NH1-OD2 3.24Å; R120-D170 PolarHBondContact NH1-OD2 3.43Å; R120-D170 IonicContact NH2-OD2 3.06Å | ||
| 121 | S | 92.3 | Very high | 88.9 | Confident | 42 Ų | 42 | 54.6 Ų | 54.6 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.1 | -34.3 | -175.7 | -63 | 0 | 0 | 0 | 0 | 111.2 | D117 K119 K125 | D117-S121 PolarHBondContact OD1-N 3.03Å; D117-S121 VanDerWaalsContact OD1-N 3.1Å; D117-S121 PolarHBondContact OD2-N 2.82Å; K119-S121 PolarHBondContact O-N 2.71Å; K119-S121 VanDerWaalsContact O-N 3.14Å; S121-K125 WeakPolarHBondContact O-CB 3.32Å; S121-K125 VanDerWaalsContact O-CG 3.24Å; S121-K125 WeakPolarHBondContact O-CG 3.46Å; S121-K125 PolarHBondContact O-N 3.2Å |
| 122 | I | 94.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.7 | -51.1 | 178 | -59.3 | 165.7 | 0 | 0 | 0 | 109.6 | V31 C34 I36 F46 F59 D117 R120 L124 K125 L126 | V31-I122 HydrophobicContact CB-CG2 4.34Å; V31-I122 HydrophobicContact CG1-CG2 4.23Å; C34-I122 HydrophobicContact CB-CD1 4.13Å; C34-I122 HydrophobicContact CB-CG1 3.51Å; I36-I122 HydrophobicContact CG2-CD1 3.42Å; I36-I122 VanDerWaalsContact CG2-CD1 3.42Å; F46-I122 HydrophobicContact CB-CD1 3.96Å; F46-I122 HydrophobicContact CD1-CD1 4.44Å; F46-I122 HydrophobicContact CD2-CD1 3.63Å; F46-I122 HydrophobicContact CE1-CG2 4.27Å; F46-I122 HydrophobicContact CE2-CD1 4.24Å; F46-I122 HydrophobicContact CG-CD1 3.76Å; F46-I122 HydrophobicContact CG-CG1 4.41Å; F46-I122 HydrophobicContact CZ-CG2 4.27Å; F59-I122 HydrophobicContact CE1-CB 4.37Å; F59-I122 HydrophobicContact CE1-CG2 3.59Å; F59-I122 HydrophobicContact CZ-CG2 3.81Å; D117-I122 HydrophobicContact CB-CD1 4.35Å; D117-I122 WeakPolarHBondContact OD2-CB 3.32Å; D117-I122 PolarHBondContact OD2-N 3.25Å; R120-I122 PolarHBondContact O-N 2.93Å; I122-L124 VanDerWaalsContact C-N 3.28Å; I122-L124 PolarHBondContact O-N 3.31Å; I122-K125 PolarHBondContact O-N 2.89Å; I122-L126 HydrophobicContact CG2-CD1 3.54Å; I122-L126 HydrophobicContact CG2-CG 4Å; I122-L126 WeakPolarHBondContact O-CB 3.42Å; I122-L126 VanDerWaalsContact O-CG 3.25Å; I122-L126 WeakPolarHBondContact O-CG 3.47Å; I122-L126 PolarHBondContact O-N 3.19Å |
| 123 | Y | 91.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -52.5 | -46.9 | 178.3 | -67.9 | -106.2 | 0 | 0 | 0 | 111.8 | F59 V60 I93 D117 R120 G127 M128 Q173 | F59-Y123 HydrophobicContact CB-CE1 3.91Å; F59-Y123 HydrophobicContact CD1-CD2 4.35Å; F59-Y123 HydrophobicContact CD1-CE1 4.1Å; F59-Y123 AromaticContact CD1-CE2 3.89Å; F59-Y123 HydrophobicContact CD1-CE2 3.89Å; F59-Y123 AromaticContact CD1-CZ 3.76Å; F59-Y123 HydrophobicContact CG-CE1 4.47Å; V60-Y123 PolarHBondContact O-OH 3.4Å; I93-Y123 HydrophobicContact CG2-CE2 4.21Å; I93-Y123 PolarHBondContact O-OH 3.36Å; D117-Y123 HydrophobicContact CB-CD2 4.48Å; D117-Y123 HydrophobicContact CB-CE2 4.24Å; R120-Y123 HydrophobicContact CB-CD2 4.28Å; R120-Y123 HydrophobicContact CB-CG 4.46Å; R120-Y123 HydrophobicContact CG-CD2 4.35Å; R120-Y123 PolarHBondContact O-N 3.17Å; Y123-G127 PolarHBondContact O-N 3.2Å; Y123-M128 HydrophobicContact CD1-CB 4.47Å; Y123-M128 HydrophobicContact CD1-SD 3.37Å; Y123-M128 WeakPolarHBondContact CD1-SD 3.15Å; Y123-M128 HydrophobicContact CE1-SD 4.03Å; Y123-M128 HydrophobicContact CG-SD 3.93Å; Y123-M128 WeakPolarHBondContact O-CB 3.23Å; Y123-M128 PolarHBondContact O-N 3.26Å; Y123-Q173 HydrophobicContact CD1-CG 3.87Å; Y123-Q173 HydrophobicContact CE1-CG 4.18Å |
| 124 | L | 90.1 | Very high | 82.1 | Confident | 95 Ų | 95 | 58.7 Ų | 58.7 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.9 | -47.3 | -179.7 | -70.6 | 171.2 | 0 | 0 | 0 | 112.3 | R120 I122 L126 G127 | R120-L124 HydrophobicContact CB-CG 4.42Å; R120-L124 WeakPolarHBondContact O-CB 3.42Å; R120-L124 VanDerWaalsContact O-CG 3.26Å; R120-L124 WeakPolarHBondContact O-CG 3.38Å; R120-L124 PolarHBondContact O-N 3.49Å; I122-L124 VanDerWaalsContact C-N 3.28Å; I122-L124 PolarHBondContact O-N 3.31Å; L124-L126 VanDerWaalsContact C-N 3.33Å; L124-L126 PolarHBondContact O-N 3.18Å; L124-G127 PolarHBondContact O-N 2.89Å; L124-G127 VanDerWaalsContact O-N 3.13Å |
| 125 | K | 92 | Very high | 79.4 | Confident | 120 Ų | 120 | 61.5 Ų | 61.5 | 52% | 0.522 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.5 | -29.6 | -178.4 | -75 | 178 | 169.4 | -167.7 | 0 | 113.1 | D30 V31 S121 I122 G127 | D30-K125 VanDerWaalsContact O-CD 3.26Å; D30-K125 WeakPolarHBondContact O-CD 3.31Å; D30-K125 PolarHBondContact O-NZ 2.93Å; V31-K125 HydrophobicContact CG1-CB 3.43Å; V31-K125 VanDerWaalsContact CG1-CB 3.43Å; V31-K125 HydrophobicContact CG1-CD 3.85Å; V31-K125 HydrophobicContact CG1-CG 4.33Å; S121-K125 WeakPolarHBondContact O-CB 3.32Å; S121-K125 VanDerWaalsContact O-CG 3.24Å; S121-K125 WeakPolarHBondContact O-CG 3.46Å; S121-K125 PolarHBondContact O-N 3.2Å; I122-K125 PolarHBondContact O-N 2.89Å; K125-G127 PolarHBondContact O-N 3.28Å |
| 126 | L | 90.8 | Very high | 76.7 | Confident | 15 Ų | 15 | 69.3 Ų | 69.3 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -3.7 | 172.9 | -66.7 | -175.8 | 0 | 0 | 0 | 113.2 | I26 L28 V31 F59 I122 L124 M128 I178 F191 | I26-L126 HydrophobicContact CG2-CD2 3.56Å; L28-L126 HydrophobicContact CD2-CD2 4.25Å; V31-L126 HydrophobicContact CG1-CD2 4.08Å; V31-L126 HydrophobicContact CG1-CG 4.12Å; V31-L126 HydrophobicContact CG2-CD2 3.92Å; F59-L126 HydrophobicContact CE1-CD1 4.47Å; F59-L126 HydrophobicContact CE2-CD1 4.33Å; F59-L126 HydrophobicContact CZ-CD1 3.92Å; I122-L126 HydrophobicContact CG2-CD1 3.54Å; I122-L126 HydrophobicContact CG2-CG 4Å; I122-L126 WeakPolarHBondContact O-CB 3.42Å; I122-L126 VanDerWaalsContact O-CG 3.25Å; I122-L126 WeakPolarHBondContact O-CG 3.47Å; I122-L126 PolarHBondContact O-N 3.19Å; L124-L126 VanDerWaalsContact C-N 3.33Å; L124-L126 PolarHBondContact O-N 3.18Å; L126-M128 VanDerWaalsContact C-N 3.34Å; L126-M128 HydrophobicContact CB-CE 4.47Å; L126-M128 HydrophobicContact CB-CG 4.43Å; L126-M128 HydrophobicContact CD1-CE 3.94Å; L126-I178 HydrophobicContact CD1-CD1 3.71Å; L126-F191 HydrophobicContact CB-CZ 4.01Å; L126-F191 VanDerWaalsContact O-CE2 3.23Å; L126-F191 WeakPolarHBondContact O-CE2 3.3Å; L126-F191 WeakPolarHBondContact O-CZ 3.14Å |
| 127 | G | 86.8 | Confident | 74.1 | Confident | 47 Ų | 47 | 74 Ų | 74 | 49% | 0.485 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 18.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y123 L124 K125 K129 | Y123-G127 PolarHBondContact O-N 3.2Å; L124-G127 PolarHBondContact O-N 2.89Å; L124-G127 VanDerWaalsContact O-N 3.13Å; K125-G127 PolarHBondContact O-N 3.28Å; G127-K129 PolarHBondContact O-N 3.11Å |
| 128 | M | 86 | Confident | 71.7 | Confident | 6 Ų | 6 | 75.7 Ų | 75.7 | 3% | 0.03 | 40% | 0.395 | C | S | . | . | trans | -66.2 | 116.3 | 174.4 | -63.8 | 179.2 | -178 | 0 | 0 | 109.4 | F59 Y123 L126 Q173 Q174 F191 | F59-M128 HydrophobicContact CB-CE 3.96Å; F59-M128 HydrophobicContact CB-SD 4.23Å; F59-M128 HydrophobicContact CD1-CE 3.99Å; F59-M128 HydrophobicContact CD1-SD 4.39Å; F59-M128 HydrophobicContact CD2-CE 3.55Å; F59-M128 HydrophobicContact CE1-CE 4.35Å; F59-M128 HydrophobicContact CE2-CE 3.96Å; F59-M128 HydrophobicContact CG-CE 3.55Å; F59-M128 HydrophobicContact CG-SD 4.24Å; F59-M128 HydrophobicContact CZ-CE 4.33Å; Y123-M128 HydrophobicContact CD1-CB 4.47Å; Y123-M128 HydrophobicContact CD1-SD 3.37Å; Y123-M128 WeakPolarHBondContact CD1-SD 3.15Å; Y123-M128 HydrophobicContact CE1-SD 4.03Å; Y123-M128 HydrophobicContact CG-SD 3.93Å; Y123-M128 WeakPolarHBondContact O-CB 3.23Å; Y123-M128 PolarHBondContact O-N 3.26Å; L126-M128 VanDerWaalsContact C-N 3.34Å; L126-M128 HydrophobicContact CB-CE 4.47Å; L126-M128 HydrophobicContact CB-CG 4.43Å; L126-M128 HydrophobicContact CD1-CE 3.94Å; M128-Q173 PolarHBondContact O-NE2 2.68Å; M128-Q174 HydrophobicContact CB-CB 4.39Å; M128-F191 HydrophobicContact CE-CD1 3.64Å; M128-F191 HydrophobicContact CE-CE1 3.25Å; M128-F191 HydrophobicContact CE-CZ 4.14Å; M128-F191 HydrophobicContact CG-CD1 3.91Å; M128-F191 HydrophobicContact CG-CE1 3.87Å; M128-F191 HydrophobicContact CG-CE2 4.49Å; M128-F191 HydrophobicContact CG-CG 4.26Å; M128-F191 HydrophobicContact CG-CZ 4.14Å; M128-F191 HydrophobicContact SD-CD1 4.49Å; M128-F191 HydrophobicContact SD-CE1 4.41Å | ||
| 129 | K | 76.3 | Confident | 69.7 | Low | 122 Ų | 122 | 79.3 Ų | 79.3 | 53% | 0.53 | 41% | 0.411 | S | S | . | . | trans | -76.5 | 168.4 | -170.5 | -58.4 | -178.9 | 177.9 | -177.7 | 0 | 112.1 | G127 E131 Q174 | G127-K129 PolarHBondContact O-N 3.11Å; K129-E131 HydrophobicContact CB-CB 4.47Å; K129-Q174 HydrophobicContact CB-CG 4.44Å; K129-Q174 WeakPolarHBondContact O-CB 3.39Å; K129-Q174 WeakPolarHBondContact O-CG 3.18Å; K129-Q174 PolarHBondContact O-N 3.46Å | ||
| 130 | R | 64.2 | Low | 67.9 | Low | 124 Ų | 124 | 76.1 Ų | 76.1 | 47% | 0.468 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -106.4 | 51.9 | 168.1 | -65.7 | -178.5 | -176.5 | 176.1 | 5.3 | 110.6 | R120 D170 H172 | R120-R130 VanDerWaalsContact NH1-CZ 3.3Å; R120-R130 VanDerWaalsContact NH1-NE 3.16Å; R120-R130 VanDerWaalsContact NH1-NH2 3.14Å; R130-D170 WeakPolarHBondContact CD-OD2 3.2Å; R130-D170 IonicContact CZ-OD2 2.69Å; R130-D170 IonicContact NE-OD2 3.73Å; R130-D170 PolarHBondContact NE-OD2 3.34Å; R130-D170 IonicContact NH1-OD2 2.88Å; R130-H172 CarbonylContact C-O 3.51Å; R130-H172 VanDerWaalsContact CA-O 3.28Å; R130-H172 WeakPolarHBondContact CA-O 3.25Å; R130-H172 HydrophobicContact CB-CB 4.16Å |
| 131 | E | 57 | Low | 66.1 | Low | 119 Ų | 119 | 74.4 Ų | 74.4 | 56% | 0.556 | 40% | 0.401 | S | S | * | . | trans | -139 | 133.5 | -177 | -66.4 | 178.5 | 165.7 | 0 | 0 | 109.4 | K129 H172 Q174 | K129-E131 HydrophobicContact CB-CB 4.47Å; E131-H172 PolarHBondContact N-O 2.82Å; E131-Q174 PolarHBondContact O-NE2 3.45Å | ||
| 132 | E | 54.2 | Low | 64.4 | Low | 41 Ų | 41 | 77.3 Ų | 77.3 | 19% | 0.192 | 42% | 0.419 | C | S | . | . | trans | -95 | 113 | 164.6 | -69.7 | -165 | 157.9 | 0 | 0 | 107.5 | R61 F134 R195 | R61-E132 IonicContact CZ-OE1 3.9Å; R61-E132 VanDerWaalsContact CZ-OE1 3.24Å; R61-E132 IonicContact NH1-OE1 3.76Å; R61-E132 PolarHBondContact NH1-OE1 3.37Å; R61-E132 IonicContact NH2-OE1 3.39Å; R61-E132 PolarHBondContact NH2-OE1 3.07Å; E132-F134 HydrophobicContact CB-CD2 4.12Å; E132-F134 HydrophobicContact CB-CE2 3.72Å; E132-F134 HydrophobicContact CB-CZ 4.33Å; E132-F134 PolarHBondContact O-N 3.37Å; E132-F134 WeakPolarHBondContact OE2-CE2 3.46Å; E132-F134 WeakPolarHBondContact OE2-CZ 3.29Å; E132-R195 IonicContact OE1-NH1 3.79Å; E132-R195 IonicContact OE2-NH1 3.22Å; E132-R195 PolarHBondContact OE2-NH1 3.39Å | ||
| 133 | T | 48 | Very low | 62.6 | Low | 57 Ų | 57 | 77.6 Ų | 77.6 | 35% | 0.35 | 42% | 0.42 | S | S | . | . | trans | -84 | 98.6 | 170.3 | -9.5 | 0 | 0 | 0 | 0 | 106.8 | T135 M193 | T133-T135 PolarHBondContact O-N 2.7Å; T133-T135 VanDerWaalsContact O-N 3.07Å; T133-M193 HydrophobicContact CG2-CE 4.27Å; T133-M193 PolarHBondContact N-O 2.85Å; T133-M193 WeakPolarHBondContact OG1-CE 3.28Å; T133-M193 PolarHBondContact OG1-O 2.8Å | ||
| 134 | F | 43.9 | Very low | 61 | Low | 153 Ų | 153 | 79.4 Ų | 79.4 | 67% | 0.671 | 43% | 0.431 | S | S | * | . | trans | -74.6 | 93.4 | 170.6 | -72.8 | -86.9 | 0 | 0 | 0 | 108.2 | E132 | E132-F134 HydrophobicContact CB-CD2 4.12Å; E132-F134 HydrophobicContact CB-CE2 3.72Å; E132-F134 HydrophobicContact CB-CZ 4.33Å; E132-F134 PolarHBondContact O-N 3.37Å; E132-F134 WeakPolarHBondContact OE2-CE2 3.46Å; E132-F134 WeakPolarHBondContact OE2-CZ 3.29Å | ||
| 135 | T | 42.1 | Very low | 59.3 | Low | 67 Ų | 67 | 79.7 Ų | 79.7 | 41% | 0.411 | 43% | 0.429 | S | S | . | . | trans | -95.3 | 128.1 | 165.5 | 52.6 | 0 | 0 | 0 | 0 | 108 | T133 S137 A138 | T133-T135 PolarHBondContact O-N 2.7Å; T133-T135 VanDerWaalsContact O-N 3.07Å; T135-S137 PolarHBondContact O-N 3.25Å; T135-A138 PolarHBondContact O-N 3.39Å; T135-A138 VanDerWaalsContact O-N 3.17Å | ||
| 136 | D | 40.6 | Very low | 57.3 | Low | 190 Ų | 190 | 75.9 Ų | 75.9 | 100% | 1.016 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -4.3 | 172.6 | -87.4 | -31.7 | 0 | 0 | 0 | 113.2 | ||
| 137 | S | 41.5 | Very low | 55.3 | Low | 99 Ų | 99 | 78.8 Ų | 78.8 | 69% | 0.692 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 1.1 | -177.6 | 65.8 | 0 | 0 | 0 | 0 | 114.7 | T135 L139 | T135-S137 PolarHBondContact O-N 3.25Å; S137-L139 PolarHBondContact O-N 2.78Å; S137-L139 VanDerWaalsContact O-N 3.08Å |
| 138 | A | 43.7 | Very low | 53.2 | Low | 38 Ų | 38 | 83.7 Ų | 83.7 | 31% | 0.314 | 47% | 0.465 | S | S | . | . | trans | -71.4 | 104.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | T135 | T135-A138 PolarHBondContact O-N 3.39Å; T135-A138 VanDerWaalsContact O-N 3.17Å | ||
| 139 | L | 48.1 | Very low | 51.2 | Low | 127 Ų | 127 | 89.8 Ų | 89.8 | 67% | 0.665 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 128.7 | 170.8 | -71.3 | 168.3 | 0 | 0 | 0 | 108.4 | S137 S141 | S137-L139 PolarHBondContact O-N 2.78Å; S137-L139 VanDerWaalsContact O-N 3.08Å; L139-S141 PolarHBondContact O-N 3.47Å |
| 140 | P | 52.9 | Low | 49.9 | Very low | 95 Ų | 95 | 90.6 Ų | 90.6 | 62% | 0.617 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 133.8 | -179.2 | 20.8 | -30.1 | 0 | 0 | 0 | 110.3 | ||
| 141 | S | 51.3 | Low | 49.1 | Very low | 6 Ų | 6 | 87.2 Ų | 87.2 | 4% | 0.042 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -50.5 | 130.1 | 175.8 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | L139 H143 V144 L196 | L139-S141 PolarHBondContact O-N 3.47Å; S141-H143 PolarHBondContact O-N 3.01Å; S141-H143 PolarHBondContact OG-N 3.04Å; S141-H143 PolarHBondContact OG-ND1 3.46Å; S141-V144 PolarHBondContact O-N 3.04Å; S141-L196 WeakPolarHBondContact CA-O 3.5Å; S141-L196 WeakPolarHBondContact CB-O 3.16Å; S141-L196 PolarHBondContact N-O 3.27Å; S141-L196 VanDerWaalsContact N-O 3.07Å |
| 142 | P | 57.7 | Low | 48.5 | Very low | 102 Ų | 102 | 87.8 Ų | 87.8 | 66% | 0.662 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -16.1 | 176 | -23.6 | 32.6 | 0 | 0 | 0 | 114.2 | ||
| 143 | H | 55.4 | Low | 48.3 | Very low | 6 Ų | 6 | 87.5 Ų | 87.5 | 3% | 0.028 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -10.5 | -177.2 | -54.2 | 81.3 | 0 | 0 | 0 | 112.4 | Y71 D74 S141 K145 P200 | Y71-H143 HydrophobicContact CD2-CB 3.93Å; Y71-H143 AromaticContact CD2-CG 3.86Å; D74-H143 IonicContact OD2-CD2 3.39Å; S141-H143 PolarHBondContact O-N 3.01Å; S141-H143 PolarHBondContact OG-N 3.04Å; S141-H143 PolarHBondContact OG-ND1 3.46Å; H143-K145 PolarHBondContact O-N 3.46Å; H143-P200 VanDerWaalsContact CE1-CA 3.47Å; H143-P200 WeakPolarHBondContact CE1-CA 3.42Å |
| 144 | V | 58.4 | Low | 48.4 | Very low | 38 Ų | 38 | 90.8 Ų | 90.8 | 23% | 0.23 | 51% | 0.514 | C | S | . | . | trans | -87.6 | 99.6 | 177.1 | 176.3 | 0 | 0 | 0 | 0 | 108.3 | E70 S141 L196 | E70-V144 WeakPolarHBondContact OE2-CA 3.24Å; E70-V144 WeakPolarHBondContact OE2-CG1 3.26Å; S141-V144 PolarHBondContact O-N 3.04Å; V144-L196 HydrophobicContact CB-CD2 4.3Å; V144-L196 HydrophobicContact CG1-CD2 4.03Å; V144-L196 HydrophobicContact CG2-CD2 3.8Å | ||
| 145 | K | 55.1 | Low | 48.5 | Very low | 102 Ų | 102 | 86.3 Ų | 86.3 | 44% | 0.443 | 50% | 0.501 | S | S | . | . | trans | -88.7 | -16.4 | -169.7 | -68.2 | 175.2 | -172.3 | 169.5 | 0 | 112.8 | E70 D74 H143 G147 | E70-K145 PolarHBondContact OE1-N 2.86Å; E70-K145 PolarHBondContact OE2-N 3.47Å; E70-K145 VanDerWaalsContact OE2-N 3.1Å; D74-K145 VanDerWaalsContact CG-NZ 3.28Å; D74-K145 IonicContact OD1-NZ 3.97Å; D74-K145 PolarHBondContact OD1-NZ 3.33Å; D74-K145 VanDerWaalsContact OD2-CE 3.23Å; D74-K145 WeakPolarHBondContact OD2-CE 3.13Å; D74-K145 IonicContact OD2-NZ 3.75Å; D74-K145 PolarHBondContact OD2-NZ 2.78Å; D74-K145 VanDerWaalsContact OD2-NZ 3.13Å; H143-K145 PolarHBondContact O-N 3.46Å; K145-G147 PolarHBondContact O-N 3.37Å; K145-G147 VanDerWaalsContact O-N 3.17Å | ||
| 146 | S | 50.3 | Low | 49 | Very low | 40 Ų | 40 | 87.1 Ų | 87.1 | 28% | 0.28 | 50% | 0.502 | S | S | . | . | trans | -89.7 | 83.4 | -176.2 | 70.6 | 0 | 0 | 0 | 0 | 113.7 | Y66 E70 I153 | Y66-S146 WeakPolarHBondContact CE1-OG 3.34Å; Y66-S146 VanDerWaalsContact CZ-OG 3.28Å; Y66-S146 WeakPolarHBondContact OH-CB 3.37Å; Y66-S146 PolarHBondContact OH-OG 2.93Å; Y66-S146 VanDerWaalsContact OH-OG 3.1Å; E70-S146 PolarHBondContact OE1-N 2.59Å; S146-I153 VanDerWaalsContact CB-CD1 3.48Å; S146-I153 WeakPolarHBondContact OG-CD1 3.41Å | ||
| 147 | G | 48.4 | Very low | 49.7 | Very low | 75 Ų | 75 | 82.6 Ų | 82.6 | 77% | 0.773 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -84 | -7.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K145 | K145-G147 PolarHBondContact O-N 3.37Å; K145-G147 VanDerWaalsContact O-N 3.17Å |
| 148 | L | 41.3 | Very low | 50.4 | Low | 150 Ų | 150 | 86.1 Ų | 86.1 | 79% | 0.785 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -138.5 | -4.4 | -159.6 | -116 | 110.9 | 0 | 0 | 0 | 120.3 | ||
| 149 | F | 45.2 | Very low | 50.9 | Low | 134 Ų | 134 | 87.5 Ų | 87.5 | 59% | 0.588 | 48% | 0.481 | S | S | * | . | trans | -138.1 | 63.6 | 175.7 | -84.9 | -83 | 0 | 0 | 0 | 113.8 | G151 Q152 I153 | F149-G151 PolarHBondContact O-N 3.43Å; F149-Q152 PolarHBondContact O-N 2.63Å; F149-I153 WeakPolarHBondContact O-CD1 3.43Å; F149-I153 WeakPolarHBondContact O-CG1 3.26Å | ||
| 150 | M | 49.8 | Very low | 51.1 | Low | 140 Ų | 140 | 82.7 Ų | 82.7 | 69% | 0.69 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -54.7 | -21.3 | 174.8 | -157.1 | 157.6 | 70.6 | 0 | 0 | 113.7 | K154 | M150-K154 WeakPolarHBondContact O-CB 3.47Å; M150-K154 VanDerWaalsContact O-CG 3.24Å; M150-K154 WeakPolarHBondContact O-CG 3.4Å; M150-K154 PolarHBondContact O-N 2.72Å |
| 151 | G | 45.9 | Very low | 51 | Low | 52 Ų | 52 | 81 Ų | 81 | 54% | 0.536 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -77.4 | -39.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F149 I153 K154 S155 | F149-G151 PolarHBondContact O-N 3.43Å; G151-I153 VanDerWaalsContact C-N 3.34Å; G151-K154 PolarHBondContact O-N 3.17Å; G151-S155 PolarHBondContact O-N 2.9Å |
| 152 | Q | 44.7 | Very low | 51.3 | Low | 132 Ų | 132 | 83 Ų | 83 | 62% | 0.617 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -71.6 | -36.6 | 177.8 | -69.2 | -179 | -43.8 | 0 | 0 | 110.8 | F149 S155 I156 | F149-Q152 PolarHBondContact O-N 2.63Å; Q152-S155 WeakPolarHBondContact O-CB 3.28Å; Q152-S155 PolarHBondContact O-N 3.29Å; Q152-I156 PolarHBondContact O-N 3.34Å; Q152-I156 VanDerWaalsContact O-N 3.12Å |
| 153 | I | 49.3 | Very low | 50.9 | Low | 34 Ų | 34 | 84 Ų | 84 | 17% | 0.174 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 174.8 | -60.1 | 168.4 | 0 | 0 | 0 | 110.7 | Y66 S146 F149 G151 S155 I156 W157 | Y66-I153 HydrophobicContact CD2-CB 4.32Å; Y66-I153 HydrophobicContact CD2-CD1 4.33Å; Y66-I153 HydrophobicContact CD2-CG1 4.17Å; Y66-I153 HydrophobicContact CD2-CG2 3.33Å; Y66-I153 HydrophobicContact CE1-CD1 3.98Å; Y66-I153 HydrophobicContact CE2-CB 4.04Å; Y66-I153 HydrophobicContact CE2-CD1 3.54Å; Y66-I153 HydrophobicContact CE2-CG1 3.41Å; Y66-I153 VanDerWaalsContact CE2-CG1 3.41Å; Y66-I153 HydrophobicContact CE2-CG2 3.52Å; Y66-I153 HydrophobicContact CG-CG2 3.97Å; Y66-I153 VanDerWaalsContact OH-CD1 3.22Å; Y66-I153 WeakPolarHBondContact OH-CD1 3.44Å; S146-I153 VanDerWaalsContact CB-CD1 3.48Å; S146-I153 WeakPolarHBondContact OG-CD1 3.41Å; F149-I153 WeakPolarHBondContact O-CD1 3.43Å; F149-I153 WeakPolarHBondContact O-CG1 3.26Å; G151-I153 VanDerWaalsContact C-N 3.34Å; I153-S155 PolarHBondContact O-N 3.01Å; I153-I156 PolarHBondContact O-N 3.4Å; I153-W157 WeakPolarHBondContact O-CB 3.3Å; I153-W157 PolarHBondContact O-N 3.39Å |
| 154 | K | 50.1 | Low | 50.7 | Low | 127 Ų | 127 | 87.7 Ų | 87.7 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.3 | -33.8 | 174.8 | -82.4 | 177 | -179.9 | -174.8 | 0 | 112.8 | M150 G151 R158 | M150-K154 WeakPolarHBondContact O-CB 3.47Å; M150-K154 VanDerWaalsContact O-CG 3.24Å; M150-K154 WeakPolarHBondContact O-CG 3.4Å; M150-K154 PolarHBondContact O-N 2.72Å; G151-K154 PolarHBondContact O-N 3.17Å; K154-R158 WeakPolarHBondContact O-CB 3.26Å; K154-R158 PolarHBondContact O-N 2.96Å |
| 155 | S | 46.3 | Very low | 50.3 | Low | 59 Ų | 59 | 88.3 Ų | 88.3 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.3 | -43.9 | 179.8 | -164.5 | 0 | 0 | 0 | 0 | 112.3 | G151 Q152 I153 R158 A159 | G151-S155 PolarHBondContact O-N 2.9Å; Q152-S155 WeakPolarHBondContact O-CB 3.28Å; Q152-S155 PolarHBondContact O-N 3.29Å; I153-S155 PolarHBondContact O-N 3.01Å; S155-R158 PolarHBondContact O-N 2.82Å; S155-A159 PolarHBondContact O-N 3.46Å |
| 156 | I | 54 | Low | 50.1 | Low | 84 Ų | 84 | 89 Ų | 89 | 43% | 0.431 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.6 | -44.7 | 175.3 | -64.7 | 171.3 | 0 | 0 | 0 | 110 | L107 Q152 I153 R158 A159 M160 | L107-I156 HydrophobicContact CD1-CG2 4.09Å; L107-I156 HydrophobicContact CD2-CG2 4.36Å; Q152-I156 PolarHBondContact O-N 3.34Å; Q152-I156 VanDerWaalsContact O-N 3.12Å; I153-I156 PolarHBondContact O-N 3.4Å; I156-R158 VanDerWaalsContact C-N 3.34Å; I156-R158 PolarHBondContact O-N 3.42Å; I156-A159 WeakPolarHBondContact O-CB 3.27Å; I156-A159 PolarHBondContact O-N 3.33Å; I156-A159 VanDerWaalsContact O-N 3.12Å; I156-M160 HydrophobicContact CG2-CG 4.37Å; I156-M160 HydrophobicContact CG2-SD 3.73Å; I156-M160 WeakPolarHBondContact O-CB 3.06Å; I156-M160 VanDerWaalsContact O-CG 3.28Å; I156-M160 WeakPolarHBondContact O-CG 3.38Å; I156-M160 PolarHBondContact O-N 3.28Å |
| 157 | W | 54.2 | Low | 50.1 | Low | 94 Ų | 94 | 92 Ų | 92 | 36% | 0.356 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -55.1 | -48.1 | 172.2 | -177.8 | -84.3 | 0 | 0 | 0 | 111.3 | L64 I153 A159 M160 T161 | L64-W157 HydrophobicContact CB-CH2 4.41Å; L64-W157 HydrophobicContact CB-CZ3 4.47Å; L64-W157 WeakPolarHBondContact O-CZ3 3.42Å; I153-W157 WeakPolarHBondContact O-CB 3.3Å; I153-W157 PolarHBondContact O-N 3.39Å; W157-A159 VanDerWaalsContact C-N 3.28Å; W157-A159 PolarHBondContact O-N 3.15Å; W157-M160 CarbonylContact O-C 3.4Å; W157-M160 WeakPolarHBondContact O-CA 3.5Å; W157-M160 PolarHBondContact O-N 2.74Å; W157-T161 HydrophobicContact CD2-CG2 4.39Å; W157-T161 HydrophobicContact CG-CG2 4.36Å; W157-T161 HydrophobicContact CZ2-CG2 4.29Å; W157-T161 WeakPolarHBondContact O-CG2 3.05Å; W157-T161 PolarHBondContact O-N 3.09Å; W157-T161 PolarHBondContact O-OG1 2.81Å |
| 158 | R | 55.3 | Low | 50.3 | Low | 173 Ų | 173 | 92.4 Ų | 92.4 | 65% | 0.653 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64 | -31.2 | 178.1 | -168.6 | 177.9 | 68.7 | -144.6 | -1.8 | 112.9 | K154 S155 I156 T161 S162 | K154-R158 WeakPolarHBondContact O-CB 3.26Å; K154-R158 PolarHBondContact O-N 2.96Å; S155-R158 PolarHBondContact O-N 2.82Å; I156-R158 VanDerWaalsContact C-N 3.34Å; I156-R158 PolarHBondContact O-N 3.42Å; R158-T161 WeakPolarHBondContact CA-OG1 3.29Å; R158-S162 PolarHBondContact O-N 3.21Å |
| 159 | A | 55.8 | Low | 51 | Low | 68 Ų | 68 | 85.7 Ų | 85.7 | 56% | 0.562 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -72 | -36.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S155 I156 W157 S162 | S155-A159 PolarHBondContact O-N 3.46Å; I156-A159 WeakPolarHBondContact O-CB 3.27Å; I156-A159 PolarHBondContact O-N 3.33Å; I156-A159 VanDerWaalsContact O-N 3.12Å; W157-A159 VanDerWaalsContact C-N 3.28Å; W157-A159 PolarHBondContact O-N 3.15Å; A159-S162 WeakPolarHBondContact O-CB 3.39Å; A159-S162 PolarHBondContact O-N 3.09Å |
| 160 | M | 52.3 | Low | 51.7 | Low | 25 Ų | 25 | 80.6 Ų | 80.6 | 12% | 0.123 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -81.5 | -14.6 | 176.8 | -64.8 | 173.9 | 67 | 0 | 0 | 113.9 | F63 L64 L107 I156 W157 F165 | F63-M160 WeakPolarHBondContact O-CE 3.47Å; L64-M160 HydrophobicContact CD2-CB 3.68Å; L64-M160 HydrophobicContact CD2-CE 3.77Å; L64-M160 VanDerWaalsContact CD2-O 3.31Å; L64-M160 WeakPolarHBondContact CD2-O 3.36Å; L107-M160 HydrophobicContact CD2-CE 3.92Å; L107-M160 HydrophobicContact CD2-SD 3.48Å; L107-M160 WeakPolarHBondContact CD2-SD 3.41Å; I156-M160 HydrophobicContact CG2-CG 4.37Å; I156-M160 HydrophobicContact CG2-SD 3.73Å; I156-M160 WeakPolarHBondContact O-CB 3.06Å; I156-M160 VanDerWaalsContact O-CG 3.28Å; I156-M160 WeakPolarHBondContact O-CG 3.38Å; I156-M160 PolarHBondContact O-N 3.28Å; W157-M160 CarbonylContact O-C 3.4Å; W157-M160 WeakPolarHBondContact O-CA 3.5Å; W157-M160 PolarHBondContact O-N 2.74Å; M160-F165 WeakPolarHBondContact O-CB 3.35Å; M160-F165 WeakPolarHBondContact O-CG 2.84Å |
| 161 | T | 50.6 | Low | 52.2 | Low | 60 Ų | 60 | 78 Ų | 78 | 37% | 0.368 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 15.4 | 168.9 | 64.6 | 0 | 0 | 0 | 0 | 111.7 | W157 R158 | W157-T161 HydrophobicContact CD2-CG2 4.39Å; W157-T161 HydrophobicContact CG-CG2 4.36Å; W157-T161 HydrophobicContact CZ2-CG2 4.29Å; W157-T161 WeakPolarHBondContact O-CG2 3.05Å; W157-T161 PolarHBondContact O-N 3.09Å; W157-T161 PolarHBondContact O-OG1 2.81Å; R158-T161 WeakPolarHBondContact CA-OG1 3.29Å |
| 162 | S | 56.6 | Low | 53.1 | Low | 48 Ų | 48 | 80.6 Ų | 80.6 | 34% | 0.336 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -57.4 | 147.6 | 166.2 | 176.5 | 0 | 0 | 0 | 0 | 108.6 | R158 A159 A164 F165 | R158-S162 PolarHBondContact O-N 3.21Å; A159-S162 WeakPolarHBondContact O-CB 3.39Å; A159-S162 PolarHBondContact O-N 3.09Å; S162-A164 PolarHBondContact O-N 3.38Å; S162-F165 CarbonylContact O-C 3.59Å; S162-F165 PolarHBondContact O-N 2.93Å |
| 163 | P | 49.5 | Very low | 54.7 | Low | 122 Ų | 122 | 74.3 Ų | 74.3 | 79% | 0.792 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -14.9 | 175.3 | -25.5 | 33.4 | 0 | 0 | 0 | 114.8 | F165 | P163-F165 VanDerWaalsContact C-N 3.35Š|
| 164 | A | 51.2 | Low | 56.3 | Low | 85 Ų | 85 | 73.2 Ų | 73.2 | 70% | 0.702 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -20 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S162 | S162-A164 PolarHBondContact O-N 3.38Š|
| 165 | F | 50.7 | Low | 58.2 | Low | 50 Ų | 50 | 67.1 Ų | 67.1 | 22% | 0.219 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -107.2 | 76.8 | 168.7 | -98.4 | -102.5 | 0 | 0 | 0 | 107.4 | L64 H100 P103 M160 S162 P163 F167 | L64-F165 HydrophobicContact CD2-CD1 4.09Å; H100-F165 HydrophobicContact CB-CE1 4.11Å; H100-F165 AromaticContact CE1-CD1 3.57Å; H100-F165 AromaticContact CE1-CE1 3.83Å; H100-F165 AromaticContact CG-CE1 3.8Å; H100-F165 AromaticContact ND1-CD1 3.29Å; H100-F165 VanDerWaalsContact ND1-CD1 3.29Å; H100-F165 WeakPolarHBondContact ND1-CD1 3.47Å; H100-F165 AromaticContact ND1-CE1 3.05Å; H100-F165 WeakPolarHBondContact ND1-CE1 3.47Å; H100-F165 AromaticContact ND1-CG 4Å; H100-F165 AromaticContact ND1-CZ 3.58Å; P103-F165 HydrophobicContact CB-CE2 4.35Å; P103-F165 HydrophobicContact CB-CZ 3.72Å; P103-F165 HydrophobicContact CG-CZ 4.11Å; M160-F165 WeakPolarHBondContact O-CB 3.35Å; M160-F165 WeakPolarHBondContact O-CG 2.84Å; S162-F165 CarbonylContact O-C 3.59Å; S162-F165 PolarHBondContact O-N 2.93Å; P163-F165 VanDerWaalsContact C-N 3.35Å; F165-F167 PolarHBondContact O-N 3.23Å |
| 166 | D | 51.4 | Low | 60.4 | Low | 118 Ų | 118 | 64.5 Ų | 64.5 | 63% | 0.631 | 35% | 0.346 | S | S | * | . | trans | -56.9 | 123.2 | 176.2 | -135.9 | -1.4 | 0 | 0 | 0 | 108.2 | Q168 | D166-Q168 WeakPolarHBondContact O-CG 3.41Å; D166-Q168 PolarHBondContact O-N 3.04Å | ||
| 167 | F | 49.3 | Very low | 62.4 | Low | 102 Ų | 102 | 60.6 Ų | 60.6 | 45% | 0.447 | 33% | 0.326 | S | S | . | . | trans | -64.1 | 102.2 | -166.1 | -174.1 | -96.6 | 0 | 0 | 0 | 110.9 | L64 F165 G169 L171 | L64-F167 HydrophobicContact CD1-CD2 3.35Å; L64-F167 HydrophobicContact CD1-CE2 3.57Å; L64-F167 HydrophobicContact CD1-CG 4.44Å; F165-F167 PolarHBondContact O-N 3.23Å; F167-G169 WeakPolarHBondContact CE1-O 3.16Å; F167-G169 WeakPolarHBondContact CZ-O 3.48Å; F167-L171 HydrophobicContact CE1-CG 4.38Å; F167-L171 HydrophobicContact CE2-CD2 4.1Å; F167-L171 HydrophobicContact CE2-CG 4.5Å; F167-L171 HydrophobicContact CZ-CD1 4.29Å; F167-L171 HydrophobicContact CZ-CD2 3.65Å; F167-L171 HydrophobicContact CZ-CG 3.64Å | ||
| 168 | Q | 53.3 | Low | 64.4 | Low | 83 Ų | 83 | 56.1 Ų | 56.1 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | trans | -116.6 | 35.1 | -175.7 | -73.2 | 179.5 | 12.7 | 0 | 0 | 113.4 | Q95 T97 D166 | Q95-Q168 VanDerWaalsContact O-O 3.1Å; T97-Q168 PolarHBondContact OG1-OE1 2.92Å; D166-Q168 WeakPolarHBondContact O-CG 3.41Å; D166-Q168 PolarHBondContact O-N 3.04Å | ||
| 169 | G | 55.2 | Low | 66.4 | Low | 9 Ų | 9 | 47.9 Ų | 47.9 | 9% | 0.093 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -132.5 | 148.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F167 | F167-G169 WeakPolarHBondContact CE1-O 3.16Å; F167-G169 WeakPolarHBondContact CZ-O 3.48Å |
| 170 | D | 60.8 | Low | 68.3 | Low | 27 Ų | 27 | 44.6 Ų | 44.6 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | trans | -92.9 | 119.8 | 173.8 | -179.4 | -18.1 | 0 | 0 | 0 | 108.9 | N62 R120 R130 H172 Q173 | N62-D170 PolarHBondContact ND2-O 3.48Å; R120-D170 IonicContact CZ-OD2 2.68Å; R120-D170 IonicContact NH1-OD2 3.24Å; R120-D170 PolarHBondContact NH1-OD2 3.43Å; R120-D170 IonicContact NH2-OD2 3.06Å; R130-D170 WeakPolarHBondContact CD-OD2 3.2Å; R130-D170 IonicContact CZ-OD2 2.69Å; R130-D170 IonicContact NE-OD2 3.73Å; R130-D170 PolarHBondContact NE-OD2 3.34Å; R130-D170 IonicContact NH1-OD2 2.88Å; D170-H172 PolarHBondContact O-N 3.31Å; D170-H172 PolarHBondContact OD1-N 2.99Å; D170-Q173 HydrophobicContact CB-CB 4.02Å; D170-Q173 WeakPolarHBondContact O-CB 3.38Å; D170-Q173 PolarHBondContact O-N 2.85Å; D170-Q173 VanDerWaalsContact O-N 3.17Å | ||
| 171 | L | 59.1 | Low | 70.4 | Confident | 85 Ų | 85 | 43.4 Ų | 43.4 | 45% | 0.445 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -21.8 | -178.1 | -69.4 | 177.6 | 0 | 0 | 0 | 113 | R61 F167 | R61-L171 VanDerWaalsContact CZ-O 3.31Å; R61-L171 PolarHBondContact NH1-O 3.47Å; R61-L171 PolarHBondContact NH2-O 3.43Å; F167-L171 HydrophobicContact CE1-CG 4.38Å; F167-L171 HydrophobicContact CE2-CD2 4.1Å; F167-L171 HydrophobicContact CE2-CG 4.5Å; F167-L171 HydrophobicContact CZ-CD1 4.29Å; F167-L171 HydrophobicContact CZ-CD2 3.65Å; F167-L171 HydrophobicContact CZ-CG 3.64Å |
| 172 | H | 64.9 | Low | 72.5 | Confident | 107 Ų | 107 | 44.2 Ų | 44.2 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -7.8 | -179 | -62 | -66.9 | 0 | 0 | 0 | 112.8 | R130 E131 D170 Q174 | R130-H172 CarbonylContact C-O 3.51Å; R130-H172 VanDerWaalsContact CA-O 3.28Å; R130-H172 WeakPolarHBondContact CA-O 3.25Å; R130-H172 HydrophobicContact CB-CB 4.16Å; E131-H172 PolarHBondContact N-O 2.82Å; D170-H172 PolarHBondContact O-N 3.31Å; D170-H172 PolarHBondContact OD1-N 2.99Å; H172-Q174 PolarHBondContact O-N 2.79Å |
| 173 | Q | 79 | Confident | 74.3 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -60.9 | 127 | -178.7 | -173.1 | 59 | 61.7 | 0 | 0 | 111.4 | R61 Y123 M128 D170 | R61-Q173 WeakPolarHBondContact CB-O 3.49Å; R61-Q173 VanDerWaalsContact CG-O 3.3Å; R61-Q173 WeakPolarHBondContact CG-O 3.38Å; R61-Q173 PolarHBondContact NE-O 2.88Å; R61-Q173 PolarHBondContact NH2-O 3.31Å; Y123-Q173 HydrophobicContact CD1-CG 3.87Å; Y123-Q173 HydrophobicContact CE1-CG 4.18Å; M128-Q173 PolarHBondContact O-NE2 2.68Å; D170-Q173 HydrophobicContact CB-CB 4.02Å; D170-Q173 WeakPolarHBondContact O-CB 3.38Å; D170-Q173 PolarHBondContact O-N 2.85Å; D170-Q173 VanDerWaalsContact O-N 3.17Å | ||
| 174 | Q | 83.5 | Confident | 76.3 | Confident | 11 Ų | 11 | 40.1 Ų | 40.1 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | trans | -69.5 | 145.3 | 172.3 | -73 | -179.5 | -24.9 | 0 | 0 | 111.7 | M128 K129 E131 H172 D192 | M128-Q174 HydrophobicContact CB-CB 4.39Å; K129-Q174 HydrophobicContact CB-CG 4.44Å; K129-Q174 WeakPolarHBondContact O-CB 3.39Å; K129-Q174 WeakPolarHBondContact O-CG 3.18Å; K129-Q174 PolarHBondContact O-N 3.46Å; E131-Q174 PolarHBondContact O-NE2 3.45Å; H172-Q174 PolarHBondContact O-N 2.79Å; Q174-D192 VanDerWaalsContact CG-O 3.32Å; Q174-D192 WeakPolarHBondContact CG-O 3.34Å | ||
| 175 | G | 88.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -94 | -171.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | F59 D192 | F59-G175 CarbonylContact O-C 3.42Å; F59-G175 WeakPolarHBondContact O-CA 3.22Å; G175-D192 WeakPolarHBondContact CA-OD2 3.13Å; G175-D192 PolarHBondContact O-N 3.06Å | ||
| 176 | G | 93.1 | Very high | 80.4 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.4 | -177.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F59 H190 D192 | F59-G176 PolarHBondContact N-O 2.87Å; F59-G176 PolarHBondContact O-N 3.32Å; G176-H190 CarbonylContact C-O 3.36Å; G176-H190 WeakPolarHBondContact CA-O 3.23Å; G176-D192 PolarHBondContact N-OD2 2.71Å |
| 177 | A | 95.5 | Very high | 82.4 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 2% | 0.017 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 136.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | I57 I58 C189 H190 M199 L204 | I57-A177 CarbonylContact O-C 3.55Å; I57-A177 WeakPolarHBondContact O-CA 3.35Å; I58-A177 HydrophobicContact CD1-CB 3.79Å; A177-C189 CarbonylContact O-C 3.47Å; A177-C189 WeakPolarHBondContact O-CA 3.02Å; A177-H190 PolarHBondContact N-O 2.7Å; A177-H190 PolarHBondContact O-N 2.9Å; A177-M199 HydrophobicContact CB-CB 4.48Å; A177-L204 HydrophobicContact CB-CD1 3.84Å; A177-L204 HydrophobicContact CB-CD2 3.76Å; A177-L204 HydrophobicContact CB-CG 4.46Å |
| 178 | I | 96.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 135.9 | 174.7 | -59.6 | -175.2 | 0 | 0 | 0 | 108.4 | I26 I57 F59 L126 A180 V186 F188 C189 F191 | I26-I178 HydrophobicContact CD1-CD1 4.48Å; I57-I178 PolarHBondContact N-O 2.79Å; I57-I178 PolarHBondContact O-N 3.32Å; F59-I178 HydrophobicContact CE2-CB 4.48Å; F59-I178 HydrophobicContact CE2-CD1 3.8Å; F59-I178 HydrophobicContact CE2-CG1 4.02Å; F59-I178 HydrophobicContact CZ-CD1 4.47Å; L126-I178 HydrophobicContact CD1-CD1 3.71Å; I178-A180 HydrophobicContact CG2-CB 4.11Å; I178-V186 HydrophobicContact CG2-CG1 4.35Å; I178-F188 WeakPolarHBondContact CA-O 3.43Å; I178-C189 HydrophobicContact CG1-CB 4.3Å; I178-F191 HydrophobicContact CD1-CE1 4.31Å |
| 179 | I | 96.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 114.4 | 166.5 | -53.8 | 177.6 | 0 | 0 | 0 | 107 | K54 S55 V56 H187 F188 L204 L207 A208 | K54-I179 HydrophobicContact CD-CG2 3.87Å; K54-I179 HydrophobicContact CG-CG2 3.94Å; S55-I179 WeakPolarHBondContact O-CA 3.3Å; V56-I179 HydrophobicContact CG2-CG1 4.3Å; I179-H187 HydrophobicContact CB-CB 4.23Å; I179-H187 HydrophobicContact CG2-CB 4.01Å; I179-H187 PolarHBondContact O-N 2.6Å; I179-F188 HydrophobicContact CB-CB 3.94Å; I179-F188 HydrophobicContact CD1-CB 3.85Å; I179-F188 HydrophobicContact CD1-CD1 4.26Å; I179-F188 HydrophobicContact CD1-CG 4.35Å; I179-F188 HydrophobicContact CG1-CB 3.92Å; I179-F188 HydrophobicContact CG1-CD1 4.29Å; I179-F188 PolarHBondContact N-O 3.13Å; I179-F188 PolarHBondContact O-N 3.22Å; I179-L204 HydrophobicContact CD1-CD2 4.28Å; I179-L204 WeakPolarHBondContact CD1-O 3.13Å; I179-L204 HydrophobicContact CG1-CD2 4.45Å; I179-L207 HydrophobicContact CD1-CB 3.57Å; I179-L207 HydrophobicContact CD1-CD1 4.3Å; I179-A208 HydrophobicContact CD1-CB 4.21Å; I179-A208 HydrophobicContact CG2-CB 4.26Å |
| 180 | A | 96.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 160.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L28 Y50 K54 S55 I178 Q185 | L28-A180 HydrophobicContact CD1-CB 3.61Å; Y50-A180 HydrophobicContact CD1-CB 4.3Å; Y50-A180 HydrophobicContact CG-CB 4.03Å; K54-A180 CarbonylContact C-O 3.52Å; K54-A180 WeakPolarHBondContact CA-O 3.43Å; S55-A180 PolarHBondContact N-O 2.86Å; S55-A180 PolarHBondContact O-N 3.4Å; I178-A180 HydrophobicContact CG2-CB 4.11Å; A180-Q185 CarbonylContact C-O 3.5Å; A180-Q185 WeakPolarHBondContact CA-O 3.31Å |
| 181 | G | 95.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | 92.7 | 165 | 173 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y50 G183 Q185 H187 | Y50-G181 WeakPolarHBondContact O-CA 3.13Å; G181-G183 WeakPolarHBondContact CA-O 2.92Å; G181-Q185 PolarHBondContact N-O 3.07Å; G181-H187 PolarHBondContact O-CD2 3.25Å; G181-H187 PolarHBondContact O-NE2 3.07Å | ||
| 182 | P | 95.8 | Very high | 90.8 | Very high | 77 Ų | 77 | 29.9 Ų | 29.9 | 50% | 0.5 | 17% | 0.166 | S | C | . | . | S | Bend | cis | -62.7 | 150.1 | -9.2 | -21.3 | 34.2 | 0 | 0 | 0 | 113 | Y50 | Y50-P182 CarbonylContact O-C 3.6Å; Y50-P182 WeakPolarHBondContact O-CA 3.45Å |
| 183 | G | 93.6 | Very high | 91.5 | Very high | 29 Ų | 29 | 28.9 Ų | 28.9 | 30% | 0.299 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | -168.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y50 Q51 G181 Q185 | Y50-G183 VanDerWaalsContact CD2-O 3.23Å; Y50-G183 WeakPolarHBondContact CD2-O 3.48Å; Y50-G183 PolarHBondContact O-N 3.04Å; Q51-G183 PolarHBondContact O-N 2.93Å; G181-G183 WeakPolarHBondContact CA-O 2.92Å; G183-Q185 PolarHBondContact O-N 2.99Å |
| 184 | S | 92.5 | Very high | 91.3 | Very high | 54 Ų | 54 | 29.6 Ų | 29.6 | 38% | 0.378 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 20.1 | -174.7 | -38.4 | 0 | 0 | 0 | 0 | 114.2 | E32 | E32-S184 WeakPolarHBondContact OE1-CB 3.26Å; E32-S184 PolarHBondContact OE1-OG 2.9Å |
| 185 | Q | 93.1 | Very high | 90.7 | Very high | 112 Ų | 112 | 34 Ų | 34 | 52% | 0.523 | 18% | 0.182 | S | C | . | . | trans | -74.9 | 127 | 177.6 | -175.8 | 176.9 | 15 | 0 | 0 | 110.5 | A180 G181 G183 H187 | A180-Q185 CarbonylContact C-O 3.5Å; A180-Q185 WeakPolarHBondContact CA-O 3.31Å; G181-Q185 PolarHBondContact N-O 3.07Å; G183-Q185 PolarHBondContact O-N 2.99Å; Q185-H187 PolarHBondContact OE1-CE1 2.81Å | ||
| 186 | V | 94.7 | Very high | 90.1 | Very high | 45 Ų | 45 | 36.4 Ų | 36.4 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 122.5 | 172.1 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | I26 L28 I178 | I26-V186 WeakPolarHBondContact O-CG2 3.22Å; L28-V186 HydrophobicContact CD1-CG2 3.7Å; L28-V186 HydrophobicContact CD2-CG2 4.28Å; L28-V186 HydrophobicContact CG-CG2 3.63Å; I178-V186 HydrophobicContact CG2-CG1 4.35Å |
| 187 | H | 93.3 | Very high | 89.4 | Confident | 78 Ų | 78 | 37.5 Ų | 37.5 | 36% | 0.361 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -29 | 176.2 | -61.1 | -86.6 | 0 | 0 | 0 | 112.1 | I179 G181 Q185 | I179-H187 HydrophobicContact CB-CB 4.23Å; I179-H187 HydrophobicContact CG2-CB 4.01Å; I179-H187 PolarHBondContact O-N 2.6Å; G181-H187 PolarHBondContact O-CD2 3.25Å; G181-H187 PolarHBondContact O-NE2 3.07Å; Q185-H187 PolarHBondContact OE1-CE1 2.81Å |
| 188 | F | 94.3 | Very high | 88.9 | Confident | 31 Ų | 31 | 38 Ų | 38 | 14% | 0.136 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 147.4 | -179 | -179.4 | -104.1 | 0 | 0 | 0 | 111.1 | I178 I179 H190 M199 W203 L204 L207 | I178-F188 WeakPolarHBondContact CA-O 3.43Å; I179-F188 HydrophobicContact CB-CB 3.94Å; I179-F188 HydrophobicContact CD1-CB 3.85Å; I179-F188 HydrophobicContact CD1-CD1 4.26Å; I179-F188 HydrophobicContact CD1-CG 4.35Å; I179-F188 HydrophobicContact CG1-CB 3.92Å; I179-F188 HydrophobicContact CG1-CD1 4.29Å; I179-F188 PolarHBondContact N-O 3.13Å; I179-F188 PolarHBondContact O-N 3.22Å; F188-H190 HydrophobicContact CE1-CB 3.67Å; F188-H190 HydrophobicContact CZ-CB 3.74Å; F188-M199 HydrophobicContact CE1-CE 4.13Å; F188-M199 HydrophobicContact CE1-CG 4.19Å; F188-M199 HydrophobicContact CZ-CE 3.63Å; F188-M199 HydrophobicContact CZ-CG 4.48Å; F188-M199 HydrophobicContact CZ-SD 4.24Å; F188-W203 HydrophobicContact CD2-CZ3 4.16Å; F188-W203 HydrophobicContact CE1-CZ3 4.42Å; F188-W203 HydrophobicContact CE2-CH2 4.12Å; F188-W203 AromaticContact CE2-CZ3 3.49Å; F188-W203 HydrophobicContact CE2-CZ3 3.49Å; F188-W203 VanDerWaalsContact CE2-CZ3 3.49Å; F188-W203 HydrophobicContact CZ-CE3 4.36Å; F188-W203 AromaticContact CZ-CZ3 3.64Å; F188-W203 HydrophobicContact CZ-CZ3 3.64Å; F188-L204 HydrophobicContact CD1-CD2 3.93Å; F188-L204 HydrophobicContact CE1-CD2 3.88Å; F188-L207 HydrophobicContact CB-CD1 4.12Å; F188-L207 HydrophobicContact CD1-CD1 4.14Å; F188-L207 HydrophobicContact CD2-CD1 3.6Å; F188-L207 HydrophobicContact CE2-CD1 4.06Å; F188-L207 HydrophobicContact CG-CD1 3.65Å; F188-L207 HydrophobicContact CZ-CD1 4.49Å |
| 189 | C | 93.1 | Very high | 88.5 | Confident | 27 Ų | 27 | 38.3 Ų | 38.3 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 143.9 | 164.1 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | I26 A177 I178 F191 | I26-C189 HydrophobicContact CD1-CB 3.51Å; I26-C189 WeakPolarHBondContact CD1-SG 3.43Å; A177-C189 CarbonylContact O-C 3.47Å; A177-C189 WeakPolarHBondContact O-CA 3.02Å; I178-C189 HydrophobicContact CG1-CB 4.3Å; C189-F191 WeakPolarHBondContact SG-CE1 3.4Å |
| 190 | H | 91.4 | Very high | 88.1 | Confident | 16 Ų | 16 | 39.4 Ų | 39.4 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 131.8 | 167.1 | 178.3 | 77.7 | 0 | 0 | 0 | 109.9 | G176 A177 F188 D192 D197 M199 | G176-H190 CarbonylContact C-O 3.36Å; G176-H190 WeakPolarHBondContact CA-O 3.23Å; A177-H190 PolarHBondContact N-O 2.7Å; A177-H190 PolarHBondContact O-N 2.9Å; F188-H190 HydrophobicContact CE1-CB 3.67Å; F188-H190 HydrophobicContact CZ-CB 3.74Å; H190-D192 IonicContact CD2-OD1 2.82Å; H190-D192 PolarHBondContact CD2-OD1 3.06Å; H190-D192 VanDerWaalsContact CD2-OD1 3.29Å; H190-D192 IonicContact NE2-OD1 2.78Å; H190-D197 IonicContact CE1-OD1 3.85Å; H190-D197 IonicContact CE1-OD2 2.74Å; H190-D197 PolarHBondContact CE1-OD2 3.37Å; H190-D197 PolarHBondContact NE2-O 2.9Å; H190-D197 IonicContact NE2-OD1 3.39Å; H190-D197 IonicContact NE2-OD2 3.5Å; H190-D197 PolarHBondContact NE2-OD2 3.17Å; H190-M199 HydrophobicContact CB-CE 3.62Å; H190-M199 WeakPolarHBondContact ND1-CE 3.49Å |
| 191 | F | 90.3 | Very high | 87.8 | Confident | 33 Ų | 33 | 39.5 Ų | 39.5 | 15% | 0.145 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.5 | 169.3 | -62.7 | -32.4 | 0 | 0 | 0 | 108.6 | I26 L126 M128 I178 C189 M193 | I26-F191 HydrophobicContact CD1-CE1 3.95Å; I26-F191 HydrophobicContact CD1-CE2 3.76Å; I26-F191 HydrophobicContact CD1-CZ 3.25Å; I26-F191 HydrophobicContact CG1-CE2 4.49Å; I26-F191 HydrophobicContact CG1-CZ 4.25Å; L126-F191 HydrophobicContact CB-CZ 4.01Å; L126-F191 VanDerWaalsContact O-CE2 3.23Å; L126-F191 WeakPolarHBondContact O-CE2 3.3Å; L126-F191 WeakPolarHBondContact O-CZ 3.14Å; M128-F191 HydrophobicContact CE-CD1 3.64Å; M128-F191 HydrophobicContact CE-CE1 3.25Å; M128-F191 HydrophobicContact CE-CZ 4.14Å; M128-F191 HydrophobicContact CG-CD1 3.91Å; M128-F191 HydrophobicContact CG-CE1 3.87Å; M128-F191 HydrophobicContact CG-CE2 4.49Å; M128-F191 HydrophobicContact CG-CG 4.26Å; M128-F191 HydrophobicContact CG-CZ 4.14Å; M128-F191 HydrophobicContact SD-CD1 4.49Å; M128-F191 HydrophobicContact SD-CE1 4.41Å; I178-F191 HydrophobicContact CD1-CE1 4.31Å; C189-F191 WeakPolarHBondContact SG-CE1 3.4Å; F191-M193 PolarHBondContact O-N 3.08Å |
| 192 | D | 84.6 | Confident | 87.5 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | trans | -66.2 | 124.3 | -172.7 | -59.5 | -18.3 | 0 | 0 | 0 | 109.7 | Q174 G175 G176 H190 N194 D197 H198 | Q174-D192 VanDerWaalsContact CG-O 3.32Å; Q174-D192 WeakPolarHBondContact CG-O 3.34Å; G175-D192 WeakPolarHBondContact CA-OD2 3.13Å; G175-D192 PolarHBondContact O-N 3.06Å; G176-D192 PolarHBondContact N-OD2 2.71Å; H190-D192 IonicContact CD2-OD1 2.82Å; H190-D192 PolarHBondContact CD2-OD1 3.06Å; H190-D192 VanDerWaalsContact CD2-OD1 3.29Å; H190-D192 IonicContact NE2-OD1 2.78Å; D192-N194 VanDerWaalsContact C-N 3.28Å; D192-N194 PolarHBondContact O-N 2.75Å; D192-D197 HydrophobicContact CB-CB 4.38Å; D192-D197 VanDerWaalsContact OD1-O 3.12Å; D192-H198 IonicContact OD1-ND1 3.51Å; D192-H198 IonicContact OD2-CE1 3.44Å; D192-H198 PolarHBondContact OD2-CE1 2.56Å; D192-H198 VanDerWaalsContact OD2-CE1 3.25Å; D192-H198 IonicContact OD2-CG 3.29Å; D192-H198 IonicContact OD2-ND1 3.05Å; D192-H198 PolarHBondContact OD2-ND1 3.35Å | ||
| 193 | M | 79.3 | Confident | 87.1 | Confident | 86 Ų | 86 | 43.2 Ų | 43.2 | 42% | 0.424 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -71.6 | -26.3 | 177.6 | -67.2 | -61 | -74.4 | 0 | 0 | 112.8 | T133 F191 D197 | T133-M193 HydrophobicContact CG2-CE 4.27Å; T133-M193 PolarHBondContact N-O 2.85Å; T133-M193 WeakPolarHBondContact OG1-CE 3.28Å; T133-M193 PolarHBondContact OG1-O 2.8Å; F191-M193 PolarHBondContact O-N 3.08Å; M193-D197 HydrophobicContact CB-CB 4.43Å; M193-D197 WeakPolarHBondContact CB-OD2 3.49Å; M193-D197 WeakPolarHBondContact CG-OD2 3.48Å; M193-D197 PolarHBondContact N-OD2 2.8Å |
| 194 | N | 75.1 | Confident | 87.1 | Confident | 14 Ų | 14 | 41.9 Ų | 41.9 | 8% | 0.075 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -158.1 | 176.5 | 174.4 | 64.8 | 67.4 | 0 | 0 | 0 | 110.3 | D192 L196 D197 | D192-N194 VanDerWaalsContact C-N 3.28Å; D192-N194 PolarHBondContact O-N 2.75Å; N194-L196 PolarHBondContact O-N 3.4Å; N194-L196 WeakPolarHBondContact OD1-CA 2.84Å; N194-L196 WeakPolarHBondContact OD1-CB 2.93Å; N194-L196 PolarHBondContact OD1-N 3.1Å; N194-D197 WeakPolarHBondContact O-CB 3.24Å; N194-D197 PolarHBondContact O-N 3.23Å; N194-D197 PolarHBondContact OD1-N 3.1Å |
| 195 | R | 71.8 | Confident | 87 | Confident | 103 Ų | 103 | 39.6 Ų | 39.6 | 39% | 0.389 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -14.9 | -176.9 | 73.1 | -175.4 | 171.8 | -95.3 | -1.3 | 116 | S67 E132 H198 | S67-R195 WeakPolarHBondContact CB-O 3.34Å; S67-R195 PolarHBondContact OG-O 2.89Å; E132-R195 IonicContact OE1-NH1 3.79Å; E132-R195 IonicContact OE2-NH1 3.22Å; E132-R195 PolarHBondContact OE2-NH1 3.39Å; R195-H198 PolarHBondContact O-NE2 3.26Å |
| 196 | L | 75.9 | Confident | 86.9 | Confident | 52 Ų | 52 | 40.9 Ų | 40.9 | 27% | 0.272 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 6.4 | -179.5 | -53.7 | -179.7 | 0 | 0 | 0 | 112.2 | S141 V144 N194 | S141-L196 WeakPolarHBondContact CA-O 3.5Å; S141-L196 WeakPolarHBondContact CB-O 3.16Å; S141-L196 PolarHBondContact N-O 3.27Å; S141-L196 VanDerWaalsContact N-O 3.07Å; V144-L196 HydrophobicContact CB-CD2 4.3Å; V144-L196 HydrophobicContact CG1-CD2 4.03Å; V144-L196 HydrophobicContact CG2-CD2 3.8Å; N194-L196 PolarHBondContact O-N 3.4Å; N194-L196 WeakPolarHBondContact OD1-CA 2.84Å; N194-L196 WeakPolarHBondContact OD1-CB 2.93Å; N194-L196 PolarHBondContact OD1-N 3.1Å |
| 197 | D | 79.4 | Confident | 86.7 | Confident | 26 Ų | 26 | 42 Ų | 42 | 14% | 0.139 | 20% | 0.202 | C | C | . | . | trans | -99.8 | 27.9 | -177.4 | -169.3 | 37.2 | 0 | 0 | 0 | 112.3 | H190 D192 M193 N194 M199 | H190-D197 IonicContact CE1-OD1 3.85Å; H190-D197 IonicContact CE1-OD2 2.74Å; H190-D197 PolarHBondContact CE1-OD2 3.37Å; H190-D197 PolarHBondContact NE2-O 2.9Å; H190-D197 IonicContact NE2-OD1 3.39Å; H190-D197 IonicContact NE2-OD2 3.5Å; H190-D197 PolarHBondContact NE2-OD2 3.17Å; D192-D197 HydrophobicContact CB-CB 4.38Å; D192-D197 VanDerWaalsContact OD1-O 3.12Å; M193-D197 HydrophobicContact CB-CB 4.43Å; M193-D197 WeakPolarHBondContact CB-OD2 3.49Å; M193-D197 WeakPolarHBondContact CG-OD2 3.48Å; M193-D197 PolarHBondContact N-OD2 2.8Å; N194-D197 WeakPolarHBondContact O-CB 3.24Å; N194-D197 PolarHBondContact O-N 3.23Å; N194-D197 PolarHBondContact OD1-N 3.1Å; D197-M199 PolarHBondContact O-N 2.98Å | ||
| 198 | H | 84 | Confident | 86.6 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 5% | 0.051 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 128.7 | 174.7 | -64.3 | -46 | 0 | 0 | 0 | 110.6 | C68 Y71 D192 R195 | C68-H198 VanDerWaalsContact SG-CE1 3.57Å; Y71-H198 HydrophobicContact CD2-CB 3.65Å; Y71-H198 HydrophobicContact CE2-CB 3.66Å; Y71-H198 HydrophobicContact CG-CB 4.1Å; Y71-H198 AromaticContact CG-CD2 3.98Å; D192-H198 IonicContact OD1-ND1 3.51Å; D192-H198 IonicContact OD2-CE1 3.44Å; D192-H198 PolarHBondContact OD2-CE1 2.56Å; D192-H198 VanDerWaalsContact OD2-CE1 3.25Å; D192-H198 IonicContact OD2-CG 3.29Å; D192-H198 IonicContact OD2-ND1 3.05Å; D192-H198 PolarHBondContact OD2-ND1 3.35Å; R195-H198 PolarHBondContact O-NE2 3.26Å |
| 199 | M | 87.3 | Confident | 86.3 | Confident | 7 Ų | 7 | 38.8 Ų | 38.8 | 3% | 0.034 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -57.3 | 135.2 | 176.1 | -174.2 | 59.2 | 52.5 | 0 | 0 | 111.2 | Y71 A177 F188 H190 D197 I201 W203 L204 | Y71-M199 VanDerWaalsContact CE2-O 3.26Å; Y71-M199 WeakPolarHBondContact CE2-O 3.4Å; Y71-M199 PolarHBondContact OH-O 3.16Å; A177-M199 HydrophobicContact CB-CB 4.48Å; F188-M199 HydrophobicContact CE1-CE 4.13Å; F188-M199 HydrophobicContact CE1-CG 4.19Å; F188-M199 HydrophobicContact CZ-CE 3.63Å; F188-M199 HydrophobicContact CZ-CG 4.48Å; F188-M199 HydrophobicContact CZ-SD 4.24Å; H190-M199 HydrophobicContact CB-CE 3.62Å; H190-M199 WeakPolarHBondContact ND1-CE 3.49Å; D197-M199 PolarHBondContact O-N 2.98Å; M199-I201 PolarHBondContact O-N 3.08Å; M199-W203 HydrophobicContact CG-CE3 4.28Å; M199-W203 HydrophobicContact SD-CD2 4.33Å; M199-W203 HydrophobicContact SD-CE3 3.48Å; M199-W203 HydrophobicContact SD-CZ3 3.95Å; M199-L204 HydrophobicContact CB-CD1 4.2Å; M199-L204 HydrophobicContact CB-CD2 4.19Å; M199-L204 HydrophobicContact CB-CG 4.15Å; M199-L204 HydrophobicContact CG-CD1 4.26Å; M199-L204 HydrophobicContact CG-CD2 3.61Å; M199-L204 HydrophobicContact CG-CG 3.66Å |
| 200 | P | 88.8 | Confident | 86 | Confident | 24 Ų | 24 | 38 Ų | 38 | 16% | 0.156 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -59.8 | 132.7 | 179.3 | -27.4 | 36.5 | 0 | 0 | 0 | 113.7 | H143 T202 W203 L204 | H143-P200 VanDerWaalsContact CE1-CA 3.47Å; H143-P200 WeakPolarHBondContact CE1-CA 3.42Å; P200-T202 VanDerWaalsContact C-N 3.32Å; P200-T202 PolarHBondContact O-N 2.9Å; P200-W203 HydrophobicContact CB-CB 4.2Å; P200-W203 WeakPolarHBondContact O-CB 3.22Å; P200-W203 PolarHBondContact O-N 2.82Å; P200-L204 PolarHBondContact O-N 3.28Å; P200-L204 VanDerWaalsContact O-N 3.08Å |
| 201 | I | 91.1 | Very high | 85.1 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.6 | -42.7 | -175.2 | -61.5 | 171.1 | 0 | 0 | 0 | 110.9 | Y71 D74 L75 V78 M199 W203 L204 L205 F216 | Y71-I201 HydrophobicContact CD2-CD1 4.35Å; Y71-I201 HydrophobicContact CD2-CG1 4.32Å; Y71-I201 HydrophobicContact CE2-CD1 4.09Å; Y71-I201 HydrophobicContact CE2-CG1 3.57Å; D74-I201 HydrophobicContact CB-CD1 3.6Å; L75-I201 HydrophobicContact CB-CD1 4.42Å; L75-I201 HydrophobicContact CD2-CB 4.39Å; L75-I201 HydrophobicContact CD2-CD1 3.73Å; L75-I201 HydrophobicContact CD2-CG1 3.7Å; L75-I201 HydrophobicContact CD2-CG2 3.86Å; L75-I201 HydrophobicContact CG-CD1 3.74Å; L75-I201 HydrophobicContact CG-CG1 4.18Å; V78-I201 HydrophobicContact CG2-CG2 3.93Å; M199-I201 PolarHBondContact O-N 3.08Å; I201-W203 PolarHBondContact O-N 3.44Å; I201-L204 PolarHBondContact O-N 3.17Å; I201-L205 HydrophobicContact CG2-CD1 3.75Å; I201-L205 HydrophobicContact CG2-CG 4.21Å; I201-L205 VanDerWaalsContact O-CG 3.28Å; I201-L205 WeakPolarHBondContact O-CG 3.44Å; I201-L205 PolarHBondContact O-N 3.33Å; I201-F216 HydrophobicContact CB-CE2 4.16Å; I201-F216 HydrophobicContact CB-CZ 4.02Å; I201-F216 HydrophobicContact CD1-CE1 4.37Å; I201-F216 HydrophobicContact CG2-CE1 4.18Å; I201-F216 HydrophobicContact CG2-CE2 3.96Å; I201-F216 HydrophobicContact CG2-CZ 3.49Å; I201-F216 VanDerWaalsContact CG2-CZ 3.49Å |
| 202 | T | 87.4 | Confident | 83.9 | Confident | 59 Ų | 59 | 48.9 Ų | 48.9 | 36% | 0.362 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -53.8 | -41.5 | 175.4 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | P200 Q206 L214 F216 | P200-T202 VanDerWaalsContact C-N 3.32Å; P200-T202 PolarHBondContact O-N 2.9Å; T202-Q206 WeakPolarHBondContact O-CB 3.47Å; T202-Q206 PolarHBondContact O-N 3.14Å; T202-L214 VanDerWaalsContact CG2-O 3.23Å; T202-L214 WeakPolarHBondContact CG2-O 3.16Å; T202-F216 HydrophobicContact CG2-CD2 3.33Å; T202-F216 HydrophobicContact CG2-CE2 3.48Å; T202-F216 VanDerWaalsContact CG2-CE2 3.48Å |
| 203 | W | 89.3 | Confident | 82.6 | Confident | 96 Ų | 96 | 54.6 Ų | 54.6 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -73.1 | -41.9 | -176.3 | -151.5 | 74.4 | 0 | 0 | 0 | 111.3 | F188 M199 P200 I201 L205 Q206 L207 | F188-W203 HydrophobicContact CD2-CZ3 4.16Å; F188-W203 HydrophobicContact CE1-CZ3 4.42Å; F188-W203 HydrophobicContact CE2-CH2 4.12Å; F188-W203 AromaticContact CE2-CZ3 3.49Å; F188-W203 HydrophobicContact CE2-CZ3 3.49Å; F188-W203 VanDerWaalsContact CE2-CZ3 3.49Å; F188-W203 HydrophobicContact CZ-CE3 4.36Å; F188-W203 AromaticContact CZ-CZ3 3.64Å; F188-W203 HydrophobicContact CZ-CZ3 3.64Å; M199-W203 HydrophobicContact CG-CE3 4.28Å; M199-W203 HydrophobicContact SD-CD2 4.33Å; M199-W203 HydrophobicContact SD-CE3 3.48Å; M199-W203 HydrophobicContact SD-CZ3 3.95Å; P200-W203 HydrophobicContact CB-CB 4.2Å; P200-W203 WeakPolarHBondContact O-CB 3.22Å; P200-W203 PolarHBondContact O-N 2.82Å; I201-W203 PolarHBondContact O-N 3.44Å; W203-L205 VanDerWaalsContact C-N 3.35Å; W203-L205 PolarHBondContact O-N 3.12Å; W203-Q206 PolarHBondContact O-N 3.42Å; W203-L207 HydrophobicContact CD2-CD1 4.11Å; W203-L207 HydrophobicContact CD2-CG 4.28Å; W203-L207 HydrophobicContact CE3-CD1 3.39Å; W203-L207 HydrophobicContact CE3-CG 4.04Å; W203-L207 HydrophobicContact CH2-CD1 3.7Å; W203-L207 HydrophobicContact CH2-CD2 4.4Å; W203-L207 HydrophobicContact CH2-CG 4.36Å; W203-L207 HydrophobicContact CZ2-CD1 4.34Å; W203-L207 HydrophobicContact CZ2-CD2 4.46Å; W203-L207 HydrophobicContact CZ3-CD1 3.19Å; W203-L207 HydrophobicContact CZ3-CG 4.13Å; W203-L207 WeakPolarHBondContact O-CB 3.12Å; W203-L207 WeakPolarHBondContact O-CG 3.45Å; W203-L207 PolarHBondContact O-N 2.88Å |
| 204 | L | 92 | Very high | 81.8 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.8 | -45.7 | 172.8 | -70.2 | 175.8 | 0 | 0 | 0 | 112.1 | V56 I58 Y71 A177 I179 F188 M199 P200 I201 L207 A208 | V56-L204 HydrophobicContact CG1-CB 4.18Å; V56-L204 HydrophobicContact CG1-CD1 4.23Å; I58-L204 HydrophobicContact CD1-CD1 3.56Å; Y71-L204 VanDerWaalsContact OH-CD1 3.32Å; Y71-L204 WeakPolarHBondContact OH-CD1 3.21Å; A177-L204 HydrophobicContact CB-CD1 3.84Å; A177-L204 HydrophobicContact CB-CD2 3.76Å; A177-L204 HydrophobicContact CB-CG 4.46Å; I179-L204 HydrophobicContact CD1-CD2 4.28Å; I179-L204 WeakPolarHBondContact CD1-O 3.13Å; I179-L204 HydrophobicContact CG1-CD2 4.45Å; F188-L204 HydrophobicContact CD1-CD2 3.93Å; F188-L204 HydrophobicContact CE1-CD2 3.88Å; M199-L204 HydrophobicContact CB-CD1 4.2Å; M199-L204 HydrophobicContact CB-CD2 4.19Å; M199-L204 HydrophobicContact CB-CG 4.15Å; M199-L204 HydrophobicContact CG-CD1 4.26Å; M199-L204 HydrophobicContact CG-CD2 3.61Å; M199-L204 HydrophobicContact CG-CG 3.66Å; P200-L204 PolarHBondContact O-N 3.28Å; P200-L204 VanDerWaalsContact O-N 3.08Å; I201-L204 PolarHBondContact O-N 3.17Å; L204-L207 PolarHBondContact O-N 3.06Å; L204-A208 VanDerWaalsContact O-CB 3.26Å; L204-A208 WeakPolarHBondContact O-CB 3.49Å; L204-A208 PolarHBondContact O-N 2.88Å |
| 205 | L | 91.8 | Very high | 81.1 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.4 | -40.8 | -179.5 | -65.3 | 175.5 | 0 | 0 | 0 | 111.4 | V78 L83 I201 W203 A208 G209 V210 L214 | V78-L205 HydrophobicContact CG1-CD1 3.92Å; V78-L205 HydrophobicContact CG1-CD2 4.29Å; V78-L205 HydrophobicContact CG2-CD1 3.8Å; L83-L205 HydrophobicContact CD2-CD2 3.91Å; I201-L205 HydrophobicContact CG2-CD1 3.75Å; I201-L205 HydrophobicContact CG2-CG 4.21Å; I201-L205 VanDerWaalsContact O-CG 3.28Å; I201-L205 WeakPolarHBondContact O-CG 3.44Å; I201-L205 PolarHBondContact O-N 3.33Å; W203-L205 VanDerWaalsContact C-N 3.35Å; W203-L205 PolarHBondContact O-N 3.12Å; L205-A208 PolarHBondContact O-N 3.01Å; L205-G209 PolarHBondContact O-N 3.4Å; L205-V210 HydrophobicContact CB-CB 4.02Å; L205-V210 HydrophobicContact CB-CG2 4.08Å; L205-V210 HydrophobicContact CD2-CG2 4.1Å; L205-V210 WeakPolarHBondContact O-CB 3.24Å; L205-V210 PolarHBondContact O-N 3.49Å; L205-L214 HydrophobicContact CD1-CD1 3.34Å |
| 206 | Q | 89.6 | Confident | 80.4 | Confident | 139 Ų | 139 | 53.1 Ų | 53.1 | 65% | 0.65 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.8 | -46.8 | 174.9 | -175 | 179.2 | -2.5 | 0 | 0 | 111.9 | T202 W203 A208 G209 | T202-Q206 WeakPolarHBondContact O-CB 3.47Å; T202-Q206 PolarHBondContact O-N 3.14Å; W203-Q206 PolarHBondContact O-N 3.42Å; Q206-A208 VanDerWaalsContact C-N 3.28Å; Q206-A208 PolarHBondContact O-N 3.42Å; Q206-G209 PolarHBondContact O-N 2.8Å; Q206-G209 VanDerWaalsContact O-N 3.12Å |
| 207 | L | 90.4 | Very high | 79.3 | Confident | 70 Ų | 70 | 53.8 Ų | 53.8 | 37% | 0.366 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.3 | -36 | 175.9 | -77.2 | -175.8 | 0 | 0 | 0 | 112.5 | I179 F188 W203 L204 G209 | I179-L207 HydrophobicContact CD1-CB 3.57Å; I179-L207 HydrophobicContact CD1-CD1 4.3Å; F188-L207 HydrophobicContact CB-CD1 4.12Å; F188-L207 HydrophobicContact CD1-CD1 4.14Å; F188-L207 HydrophobicContact CD2-CD1 3.6Å; F188-L207 HydrophobicContact CE2-CD1 4.06Å; F188-L207 HydrophobicContact CG-CD1 3.65Å; F188-L207 HydrophobicContact CZ-CD1 4.49Å; W203-L207 HydrophobicContact CD2-CD1 4.11Å; W203-L207 HydrophobicContact CD2-CG 4.28Å; W203-L207 HydrophobicContact CE3-CD1 3.39Å; W203-L207 HydrophobicContact CE3-CG 4.04Å; W203-L207 HydrophobicContact CH2-CD1 3.7Å; W203-L207 HydrophobicContact CH2-CD2 4.4Å; W203-L207 HydrophobicContact CH2-CG 4.36Å; W203-L207 HydrophobicContact CZ2-CD1 4.34Å; W203-L207 HydrophobicContact CZ2-CD2 4.46Å; W203-L207 HydrophobicContact CZ3-CD1 3.19Å; W203-L207 HydrophobicContact CZ3-CG 4.13Å; W203-L207 WeakPolarHBondContact O-CB 3.12Å; W203-L207 WeakPolarHBondContact O-CG 3.45Å; W203-L207 PolarHBondContact O-N 2.88Å; L204-L207 PolarHBondContact O-N 3.06Å; L207-G209 PolarHBondContact O-N 3.34Å |
| 208 | A | 91.5 | Very high | 77.6 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.3 | -25.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K54 V56 I88 I179 L204 L205 Q206 | K54-A208 HydrophobicContact CD-CB 4.35Å; K54-A208 WeakPolarHBondContact CD-O 3.11Å; K54-A208 PolarHBondContact NZ-O 3.5Å; V56-A208 HydrophobicContact CG2-CB 3.53Å; I88-A208 VanDerWaalsContact CD1-C 3.47Å; I88-A208 HydrophobicContact CD1-CB 3.71Å; I88-A208 VanDerWaalsContact CD1-O 3.24Å; I88-A208 WeakPolarHBondContact CD1-O 3.47Å; I88-A208 HydrophobicContact CG1-CB 4.41Å; I88-A208 HydrophobicContact CG2-CB 4.19Å; I179-A208 HydrophobicContact CD1-CB 4.21Å; I179-A208 HydrophobicContact CG2-CB 4.26Å; L204-A208 VanDerWaalsContact O-CB 3.26Å; L204-A208 WeakPolarHBondContact O-CB 3.49Å; L204-A208 PolarHBondContact O-N 2.88Å; L205-A208 PolarHBondContact O-N 3.01Å; Q206-A208 VanDerWaalsContact C-N 3.28Å; Q206-A208 PolarHBondContact O-N 3.42Å |
| 209 | G | 89.1 | Confident | 75.6 | Confident | 40 Ų | 40 | 64.6 Ų | 64.6 | 41% | 0.412 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 112.3 | 15.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L205 Q206 L207 Q211 | L205-G209 PolarHBondContact O-N 3.4Å; Q206-G209 PolarHBondContact O-N 2.8Å; Q206-G209 VanDerWaalsContact O-N 3.12Å; L207-G209 PolarHBondContact O-N 3.34Å; G209-Q211 PolarHBondContact O-N 3.12Å |
| 210 | V | 87.1 | Confident | 73.2 | Confident | 11 Ų | 11 | 69.5 Ų | 69.5 | 7% | 0.067 | 38% | 0.383 | C | S | . | . | trans | -73.5 | 117.7 | 173.2 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | A82 L83 A86 I88 L205 Q212 | A82-V210 HydrophobicContact CB-CG1 4.23Å; L83-V210 HydrophobicContact CD2-CG2 4.37Å; A86-V210 HydrophobicContact CB-CG2 4.16Å; I88-V210 HydrophobicContact CD1-CG2 3.64Å; L205-V210 HydrophobicContact CB-CB 4.02Å; L205-V210 HydrophobicContact CB-CG2 4.08Å; L205-V210 HydrophobicContact CD2-CG2 4.1Å; L205-V210 WeakPolarHBondContact O-CB 3.24Å; L205-V210 PolarHBondContact O-N 3.49Å; V210-Q212 HydrophobicContact CG1-CB 4.43Å | ||
| 211 | Q | 71.7 | Confident | 70.7 | Confident | 193 Ų | 193 | 77.8 Ų | 77.8 | 90% | 0.902 | 42% | 0.416 | S | S | * | . | trans | -84.6 | -11.6 | -175.3 | -60.5 | -141.1 | -10.9 | 0 | 0 | 114.4 | G209 | G209-Q211 PolarHBondContact O-N 3.12Š| ||
| 212 | Q | 64.9 | Low | 68.2 | Low | 84 Ų | 84 | 84.2 Ų | 84.2 | 39% | 0.393 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -79.5 | 125.7 | -179.7 | -66.4 | 177.8 | 14.4 | 0 | 0 | 110.8 | A82 E85 V210 L214 | A82-Q212 VanDerWaalsContact CB-OE1 3.22Å; E85-Q212 PolarHBondContact OE2-NE2 3.19Å; V210-Q212 HydrophobicContact CG1-CB 4.43Å; Q212-L214 PolarHBondContact O-N 3.17Å; Q212-L214 VanDerWaalsContact O-N 3.15Å |
| 213 | S | 57.2 | Low | 65.9 | Low | 122 Ų | 122 | 87.7 Ų | 87.7 | 85% | 0.853 | 46% | 0.464 | S | S | * | . | trans | -70 | 107.2 | 172 | 61.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 214 | L | 62.1 | Low | 63.3 | Low | 37 Ų | 37 | 91.4 Ų | 91.4 | 19% | 0.194 | 49% | 0.485 | C | S | . | . | trans | -90.9 | 118.4 | 171.8 | -66.6 | 168.3 | 0 | 0 | 0 | 109.1 | V78 P79 T202 L205 Q212 F216 | V78-L214 HydrophobicContact CG1-CD1 4.2Å; V78-L214 HydrophobicContact CG2-CD1 4.42Å; P79-L214 VanDerWaalsContact CD-CD2 3.45Å; P79-L214 HydrophobicContact CG-CD2 3.87Å; T202-L214 VanDerWaalsContact CG2-O 3.23Å; T202-L214 WeakPolarHBondContact CG2-O 3.16Å; L205-L214 HydrophobicContact CD1-CD1 3.34Å; Q212-L214 PolarHBondContact O-N 3.17Å; Q212-L214 VanDerWaalsContact O-N 3.15Å; L214-F216 HydrophobicContact CB-CD2 4.2Å; L214-F216 HydrophobicContact CB-CE2 3.48Å; L214-F216 VanDerWaalsContact CB-CE2 3.48Å; L214-F216 HydrophobicContact CB-CZ 3.89Å; L214-F216 HydrophobicContact CD1-CE2 4.4Å; L214-F216 HydrophobicContact CD1-CZ 4.15Å | ||
| 215 | D | 60.6 | Low | 60.9 | Low | 97 Ų | 97 | 101 Ų | 101 | 52% | 0.519 | 54% | 0.543 | S | S | . | . | trans | -92.6 | 108.7 | 175 | -172.9 | 4.4 | 0 | 0 | 0 | 109.2 | S217 K219 | D215-S217 VanDerWaalsContact C-N 3.34Å; D215-S217 WeakPolarHBondContact OD1-CB 3.47Å; D215-S217 PolarHBondContact OD1-N 3.15Å; D215-S217 PolarHBondContact OD1-OG 3.31Å; D215-K219 IonicContact OD2-NZ 2.71Å; D215-K219 PolarHBondContact OD2-NZ 3.26Å | ||
| 216 | F | 58.1 | Low | 59.3 | Low | 39 Ų | 39 | 105.8 Ų | 105.8 | 17% | 0.171 | 57% | 0.569 | C | S | . | * | trans | -93.5 | 8.4 | 175.5 | -61.9 | -91.6 | 0 | 0 | 0 | 112.6 | D74 K77 V78 I201 T202 L214 | D74-F216 HydrophobicContact CB-CD1 4.4Å; D74-F216 WeakPolarHBondContact O-CE1 3.15Å; K77-F216 HydrophobicContact CB-CE1 4.48Å; V78-F216 HydrophobicContact CG2-CZ 4.14Å; I201-F216 HydrophobicContact CB-CE2 4.16Å; I201-F216 HydrophobicContact CB-CZ 4.02Å; I201-F216 HydrophobicContact CD1-CE1 4.37Å; I201-F216 HydrophobicContact CG2-CE1 4.18Å; I201-F216 HydrophobicContact CG2-CE2 3.96Å; I201-F216 HydrophobicContact CG2-CZ 3.49Å; I201-F216 VanDerWaalsContact CG2-CZ 3.49Å; T202-F216 HydrophobicContact CG2-CD2 3.33Å; T202-F216 HydrophobicContact CG2-CE2 3.48Å; T202-F216 VanDerWaalsContact CG2-CE2 3.48Å; L214-F216 HydrophobicContact CB-CD2 4.2Å; L214-F216 HydrophobicContact CB-CE2 3.48Å; L214-F216 VanDerWaalsContact CB-CE2 3.48Å; L214-F216 HydrophobicContact CB-CZ 3.89Å; L214-F216 HydrophobicContact CD1-CE2 4.4Å; L214-F216 HydrophobicContact CD1-CZ 4.15Å | ||
| 217 | S | 52.5 | Low | 57.7 | Low | 66 Ų | 66 | 104 Ų | 104 | 46% | 0.462 | 57% | 0.565 | S | S | . | * | trans | -61.9 | 137.5 | 177.9 | -54 | 0 | 0 | 0 | 0 | 110.6 | D215 K219 | D215-S217 VanDerWaalsContact C-N 3.34Å; D215-S217 WeakPolarHBondContact OD1-CB 3.47Å; D215-S217 PolarHBondContact OD1-N 3.15Å; D215-S217 PolarHBondContact OD1-OG 3.31Å; S217-K219 PolarHBondContact O-N 3.19Å | ||
| 218 | P | 43.2 | Very low | 55.9 | Low | 118 Ų | 118 | 105.9 Ų | 105.9 | 77% | 0.766 | 58% | 0.576 | S | S | * | * | trans | -73.5 | 74.5 | 172.3 | 31.4 | -33.8 | 0 | 0 | 0 | 109.6 | ||||
| 219 | K | 42.6 | Very low | 53.8 | Low | 145 Ų | 145 | 112.1 Ų | 112.1 | 63% | 0.63 | 61% | 0.609 | S | S | * | * | trans | -84 | 125.7 | 170.5 | -73 | 176 | -177.5 | 152.9 | 0 | 108.9 | D215 S217 K221 | D215-K219 IonicContact OD2-NZ 2.71Å; D215-K219 PolarHBondContact OD2-NZ 3.26Å; S217-K219 PolarHBondContact O-N 3.19Å; K219-K221 PolarHBondContact O-N 3.33Å | ||
| 220 | P | 36.9 | Very low | 51.6 | Low | 111 Ų | 111 | 116.6 Ų | 116.6 | 72% | 0.721 | 62% | 0.621 | S | S | * | * | trans | -60.1 | 126.6 | 166.2 | 24.2 | -29.8 | 0 | 0 | 0 | 108.1 | I222 | P220-I222 PolarHBondContact O-N 3.1Š| ||
| 221 | K | 35.5 | Very low | 49.2 | Very low | 198 Ų | 198 | 123.6 Ų | 123.6 | 86% | 0.861 | 66% | 0.658 | S | S | * | * | trans | -66.9 | 100.6 | 170.3 | -74.7 | -176.6 | 178.6 | 179.8 | 0 | 107.5 | K219 I223 | K219-K221 PolarHBondContact O-N 3.33Å; K221-I223 PolarHBondContact O-N 3.01Å; K221-I223 VanDerWaalsContact O-N 3.08Å | ||
| 222 | I | 39.4 | Very low | 47.6 | Very low | 135 Ų | 135 | 118.6 Ų | 118.6 | 69% | 0.692 | 64% | 0.641 | S | S | * | * | trans | -71.2 | 101 | 165.5 | -59 | 174.8 | 0 | 0 | 0 | 105.8 | P220 H224 | P220-I222 PolarHBondContact O-N 3.1Å; I222-H224 PolarHBondContact O-N 3.4Å | ||
| 223 | I | 38.9 | Very low | 46.3 | Very low | 133 Ų | 133 | 121.3 Ų | 121.3 | 68% | 0.682 | 66% | 0.66 | S | S | * | * | trans | -80.5 | 109.6 | 166.2 | -60.1 | 168.2 | 0 | 0 | 0 | 105 | K221 V225 | K221-I223 PolarHBondContact O-N 3.01Å; K221-I223 VanDerWaalsContact O-N 3.08Å; I223-V225 HydrophobicContact CG2-CG2 4.21Å; I223-V225 PolarHBondContact O-N 3.11Å | ||
| 224 | H | 33.4 | Very low | 45.4 | Very low | 174 Ų | 174 | 121.3 Ų | 121.3 | 81% | 0.806 | 64% | 0.644 | S | S | * | * | trans | -67.9 | 110.6 | 162 | -76.8 | -79 | 0 | 0 | 0 | 107 | I222 | I222-H224 PolarHBondContact O-N 3.4Š| ||
| 225 | V | 41.5 | Very low | 43.9 | Very low | 202 Ų | 202 | 128.9 Ų | 128.9 | 100% | 1.224 | 69% | 0.685 | S | S | * | * | trans | -85.2 | 0 | 164.7 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | I223 | I223-V225 HydrophobicContact CG2-CG2 4.21Å; I223-V225 PolarHBondContact O-N 3.11Å |
Retrieved 225 of 225 residues in 160.8 ms
(Link to these results)