| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36 | Very low | 33.3 | Very low | 222 Ų | 222 | 150.5 Ų | 150.5 | 100% | 1.094 | 73% | 0.729 | S | S | * | * | 0 | -60.3 | 0 | -79.9 | 176 | -153.7 | 0 | 0 | 113.4 | K3 S4 | M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 2.97Å; M1-K3 VanDerWaalsContact O-N 3.14Å; M1-S4 VanDerWaalsContact O-CB 3.27Å; M1-S4 WeakPolarHBondContact O-CB 3.4Å; M1-S4 PolarHBondContact O-N 3.34Å | |||
| 2 | L | 33 | Very low | 33.2 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 73% | 0.728 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -54.8 | -33.6 | -171.5 | -79.6 | 153 | 0 | 0 | 0 | 116.6 | S4 F5 | L2-S4 PolarHBondContact O-N 3.27Å; L2-S4 VanDerWaalsContact O-N 3.16Å; L2-F5 PolarHBondContact O-N 2.88Å; L2-F5 VanDerWaalsContact O-N 3.09Å |
| 3 | K | 33.9 | Very low | 33.1 | Very low | 201 Ų | 201 | 149.1 Ų | 149.1 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -62.8 | -17.5 | 173.4 | -75.1 | -169.7 | 176.4 | -177.5 | 0 | 114.5 | M1 | M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 2.97Å; M1-K3 VanDerWaalsContact O-N 3.14Å |
| 4 | S | 37.5 | Very low | 32.9 | Very low | 92 Ų | 92 | 147.6 Ų | 147.6 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -79.7 | -31.1 | 174.2 | -162.2 | 0 | 0 | 0 | 0 | 112.2 | M1 L2 | M1-S4 VanDerWaalsContact O-CB 3.27Å; M1-S4 WeakPolarHBondContact O-CB 3.4Å; M1-S4 PolarHBondContact O-N 3.34Å; L2-S4 PolarHBondContact O-N 3.27Å; L2-S4 VanDerWaalsContact O-N 3.16Å |
| 5 | F | 35 | Very low | 32.9 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 62% | 0.623 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -72.3 | -44 | -175.7 | -119.9 | -96.2 | 0 | 0 | 0 | 112.5 | L2 K7 K8 F9 | L2-F5 PolarHBondContact O-N 2.88Å; L2-F5 VanDerWaalsContact O-N 3.09Å; F5-K7 PolarHBondContact O-N 3.11Å; F5-K8 WeakPolarHBondContact O-CB 3.37Å; F5-K8 PolarHBondContact O-N 3.01Å; F5-F9 HydrophobicContact CD1-CE2 4.08Å; F5-F9 HydrophobicContact CE1-CE2 4.19Å |
| 6 | F | 33 | Very low | 33.1 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 67% | 0.671 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -66.5 | -22.6 | 179.2 | -85 | -82 | 0 | 0 | 0 | 114.1 | K8 | F6-K8 PolarHBondContact O-N 3.4Å |
| 7 | K | 34.5 | Very low | 33.1 | Very low | 177 Ų | 177 | 141.1 Ų | 141.1 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -76.8 | -11.6 | 174.8 | -135.6 | -177 | -175.4 | -171.6 | 0 | 113.4 | F5 S11 | F5-K7 PolarHBondContact O-N 3.11Å; K7-S11 PolarHBondContact O-OG 2.97Å |
| 8 | K | 31.1 | Very low | 33.4 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 69% | 0.687 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -94.7 | -19.7 | -178.7 | -136.6 | -178.3 | -175.5 | -171.7 | 0 | 114 | F5 F6 S11 | F5-K8 WeakPolarHBondContact O-CB 3.37Å; F5-K8 PolarHBondContact O-N 3.01Å; F6-K8 PolarHBondContact O-N 3.4Å; K8-S11 PolarHBondContact O-OG 3.26Å |
| 9 | F | 29.4 | Very low | 34 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 67% | 0.667 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -92.9 | -24.8 | 177.7 | -81.7 | -80.8 | 0 | 0 | 0 | 113.8 | F5 S11 | F5-F9 HydrophobicContact CD1-CE2 4.08Å; F5-F9 HydrophobicContact CE1-CE2 4.19Å; F9-S11 VanDerWaalsContact C-N 3.28Å |
| 10 | I | 32.2 | Very low | 34.9 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 74% | 0.738 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -12.1 | 174.4 | -65.3 | 171.9 | 0 | 0 | 0 | 111.8 | ||
| 11 | S | 30.5 | Very low | 35.7 | Very low | 75 Ų | 75 | 133 Ų | 133 | 52% | 0.524 | 68% | 0.679 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.7 | 11.1 | -174.7 | 65.5 | 0 | 0 | 0 | 0 | 115.6 | K7 K8 F9 | K7-S11 PolarHBondContact O-OG 2.97Å; K8-S11 PolarHBondContact O-OG 3.26Å; F9-S11 VanDerWaalsContact C-N 3.28Å |
| 12 | V | 32.5 | Very low | 36.9 | Very low | 95 Ų | 95 | 127.5 Ų | 127.5 | 58% | 0.576 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -108.1 | -24.8 | -175.5 | -179.1 | 0 | 0 | 0 | 0 | 113.1 | S15 | V12-S15 PolarHBondContact O-OG 2.75Š|
| 13 | E | 31.5 | Very low | 39.1 | Very low | 188 Ų | 188 | 122.9 Ų | 122.9 | 88% | 0.879 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -7.4 | -179.1 | -68.7 | -176.5 | 154.1 | 0 | 0 | 114.5 | ||
| 14 | E | 30.3 | Very low | 41.7 | Very low | 128 Ų | 128 | 113.9 Ų | 113.9 | 60% | 0.598 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -4.8 | 174.1 | -83.6 | -162.1 | -176.3 | 0 | 0 | 114.9 | K18 | E14-K18 IonicContact OE2-NZ 3.78Å; E14-K18 PolarHBondContact OE2-NZ 3.45Å |
| 15 | S | 33.6 | Very low | 44.3 | Very low | 86 Ų | 86 | 113.8 Ų | 113.8 | 60% | 0.601 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -78.6 | -14.2 | -177.9 | 39.6 | 0 | 0 | 0 | 0 | 114.6 | V12 | V12-S15 PolarHBondContact O-OG 2.75Š|
| 16 | G | 34.9 | Very low | 46.8 | Very low | 55 Ų | 55 | 112.7 Ų | 112.7 | 57% | 0.567 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -78.6 | -39.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K18 | G16-K18 PolarHBondContact O-N 3.23Š|
| 17 | K | 34.6 | Very low | 49 | Very low | 192 Ų | 192 | 110.9 Ų | 110.9 | 84% | 0.835 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -1.2 | -172.1 | -70.4 | -169.1 | 172.6 | -171.1 | 0 | 115.3 | ||
| 18 | K | 37.1 | Very low | 51.6 | Low | 147 Ų | 147 | 104.9 Ų | 104.9 | 64% | 0.639 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -3.9 | -172.5 | -83.2 | 173.7 | -179.3 | 152.7 | 0 | 116.2 | E14 G16 | E14-K18 IonicContact OE2-NZ 3.78Å; E14-K18 PolarHBondContact OE2-NZ 3.45Å; G16-K18 PolarHBondContact O-N 3.23Å |
| 19 | S | 45.6 | Very low | 54.5 | Low | 72 Ų | 72 | 98.9 Ų | 98.9 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -95.2 | -39.2 | -179 | -154.3 | 0 | 0 | 0 | 0 | 114.5 | S21 S22 | S19-S21 VanDerWaalsContact C-N 3.34Å; S19-S21 PolarHBondContact O-N 3.09Å; S19-S22 PolarHBondContact O-OG 3.05Å |
| 20 | F | 51.9 | Low | 57.6 | Low | 72 Ų | 72 | 91.6 Ų | 91.6 | 32% | 0.316 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -70 | -26.7 | -173.3 | -69.5 | -82.1 | 0 | 0 | 0 | 114.5 | S22 T23 I24 M77 D81 | F20-S22 PolarHBondContact O-N 3.42Å; F20-S22 VanDerWaalsContact O-N 3.15Å; F20-T23 PolarHBondContact O-N 2.69Å; F20-I24 PolarHBondContact O-N 3.27Å; F20-M77 HydrophobicContact CD1-SD 3.97Å; F20-M77 HydrophobicContact CE1-CB 3.84Å; F20-M77 HydrophobicContact CE1-CG 4.35Å; F20-M77 HydrophobicContact CE1-SD 4.25Å; F20-M77 HydrophobicContact CZ-CB 4.16Å; F20-D81 HydrophobicContact CE1-CB 3.98Å; F20-D81 HydrophobicContact CZ-CB 4.18Å |
| 21 | S | 51.2 | Low | 60.5 | Low | 104 Ų | 104 | 87 Ų | 87 | 73% | 0.727 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -68.5 | -11.2 | -173.6 | -171.4 | 0 | 0 | 0 | 0 | 114.9 | S19 | S19-S21 VanDerWaalsContact C-N 3.34Å; S19-S21 PolarHBondContact O-N 3.09Å |
| 22 | S | 62.6 | Low | 63.5 | Low | 106 Ų | 106 | 88.7 Ų | 88.7 | 74% | 0.741 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -95.3 | -18.8 | 175.6 | 50.8 | 0 | 0 | 0 | 0 | 113.8 | S19 F20 | S19-S22 PolarHBondContact O-OG 3.05Å; F20-S22 PolarHBondContact O-N 3.42Å; F20-S22 VanDerWaalsContact O-N 3.15Å |
| 23 | T | 78.6 | Confident | 66.6 | Low | 42 Ų | 42 | 86.3 Ų | 86.3 | 26% | 0.258 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -29.9 | -177.7 | -51.4 | 0 | 0 | 0 | 0 | 112.7 | F20 I80 T84 | F20-T23 PolarHBondContact O-N 2.69Å; T23-I80 HydrophobicContact CG2-CG2 4.4Å; T23-T84 HydrophobicContact CG2-CG2 4.01Å; T23-T84 WeakPolarHBondContact CG2-OG1 3.42Å |
| 24 | I | 88.7 | Confident | 69.7 | Low | 11 Ų | 11 | 77.3 Ų | 77.3 | 6% | 0.056 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 108.9 | -174.5 | -55.5 | -178.5 | 0 | 0 | 0 | 109.7 | F20 R26 M77 V97 I99 | F20-I24 PolarHBondContact O-N 3.27Å; I24-R26 HydrophobicContact CG2-CG 4.48Å; I24-R26 PolarHBondContact O-N 2.81Å; I24-M77 HydrophobicContact CD1-CE 3.76Å; I24-M77 HydrophobicContact CD1-SD 3.51Å; I24-M77 VanDerWaalsContact CD1-SD 3.51Å; I24-V97 HydrophobicContact CB-CG1 4.46Å; I24-V97 HydrophobicContact CD1-CG1 4.42Å; I24-V97 HydrophobicContact CG1-CB 4.16Å; I24-V97 HydrophobicContact CG1-CG1 3.94Å; I24-V97 HydrophobicContact CG2-CG1 4.13Å; I24-I99 HydrophobicContact CG2-CB 4.44Å; I24-I99 HydrophobicContact CG2-CD1 3.63Å; I24-I99 HydrophobicContact CG2-CG1 3.71Å |
| 25 | E | 90.7 | Very high | 72.8 | Confident | 91 Ų | 91 | 75.4 Ų | 75.4 | 43% | 0.425 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 122 | 174.5 | -73.3 | -172.5 | -148.9 | 0 | 0 | 110.6 | V97 Y98 I99 | E25-V97 PolarHBondContact N-O 3.39Å; E25-Y98 HydrophobicContact CB-CD1 3.56Å; E25-Y98 HydrophobicContact CB-CE1 3.67Å; E25-Y98 HydrophobicContact CB-CG 4.42Å; E25-Y98 HydrophobicContact CG-CE1 4.21Å; E25-Y98 WeakPolarHBondContact O-CA 3.47Å; E25-Y98 VanDerWaalsContact OE2-CE1 3.26Å; E25-Y98 WeakPolarHBondContact OE2-CE1 3.38Å; E25-I99 PolarHBondContact O-N 2.72Å |
| 26 | R | 87.5 | Confident | 75.8 | Confident | 119 Ų | 119 | 74.5 Ų | 74.5 | 45% | 0.449 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 143.7 | 175.1 | -57.1 | -164.3 | 180 | -152 | 0.3 | 109.9 | I24 V28 E70 I99 | I24-R26 HydrophobicContact CG2-CG 4.48Å; I24-R26 PolarHBondContact O-N 2.81Å; R26-V28 VanDerWaalsContact C-N 3.33Å; R26-E70 IonicContact CZ-OE1 3.8Å; R26-E70 IonicContact NH1-OE1 2.88Å; R26-E70 PolarHBondContact NH1-OE1 3.33Å; R26-E70 IonicContact NH1-OE2 2.77Å; R26-E70 PolarHBondContact NH1-OE2 3.25Å; R26-E70 IonicContact NH2-OE1 3.84Å; R26-E70 PolarHBondContact NH2-OE1 3.01Å; R26-I99 HydrophobicContact CG-CB 4.32Å |
| 27 | S | 81 | Confident | 78.6 | Confident | 114 Ų | 114 | 76 Ų | 76 | 80% | 0.797 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 75.6 | 6.2 | 178.4 | -27.3 | 0 | 0 | 0 | 0 | 116.5 | ||
| 28 | V | 89 | Confident | 81.3 | Confident | 51 Ų | 51 | 69.2 Ų | 69.2 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | trans | -98.2 | 131.7 | 168.8 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | R26 P30 I33 Y98 Y100 | R26-V28 VanDerWaalsContact C-N 3.33Å; V28-P30 VanDerWaalsContact O-CD 3.3Å; V28-P30 WeakPolarHBondContact O-CD 3.42Å; V28-I33 HydrophobicContact CG1-CD1 3.65Å; V28-Y98 HydrophobicContact CB-CD1 4.18Å; V28-Y98 HydrophobicContact CB-CE1 4.17Å; V28-Y98 HydrophobicContact CG1-CD1 4.39Å; V28-Y98 HydrophobicContact CG1-CE1 4.02Å; V28-Y100 WeakPolarHBondContact O-CD2 3.46Å | ||
| 29 | N | 91.7 | Very high | 83.9 | Confident | 32 Ų | 32 | 66.7 Ų | 66.7 | 17% | 0.171 | 37% | 0.374 | C | S | . | . | trans | -75.9 | 116.1 | 173.6 | 178.9 | 14.2 | 0 | 0 | 0 | 109.8 | T31 D32 Y100 | N29-T31 PolarHBondContact ND2-OG1 3.02Å; N29-T31 PolarHBondContact O-N 3.3Å; N29-T31 PolarHBondContact OD1-N 2.69Å; N29-T31 PolarHBondContact OD1-OG1 2.69Å; N29-D32 PolarHBondContact ND2-OD1 3.42Å; N29-D32 PolarHBondContact O-N 2.98Å; N29-Y100 HydrophobicContact CB-CD1 4.46Å; N29-Y100 HydrophobicContact CB-CD2 4.33Å; N29-Y100 HydrophobicContact CB-CE1 3.96Å; N29-Y100 HydrophobicContact CB-CE2 3.83Å; N29-Y100 WeakPolarHBondContact OD1-CE1 3.49Å | ||
| 30 | P | 94.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.2 | -26.9 | -175.6 | -23.2 | 36.7 | 0 | 0 | 0 | 113 | V28 D32 I33 W34 Y98 W105 Y107 | V28-P30 VanDerWaalsContact O-CD 3.3Å; V28-P30 WeakPolarHBondContact O-CD 3.42Å; P30-D32 PolarHBondContact O-N 3.29Å; P30-I33 PolarHBondContact O-N 3.05Å; P30-I33 VanDerWaalsContact O-N 3.14Å; P30-W34 WeakPolarHBondContact O-CB 3.32Å; P30-W34 PolarHBondContact O-N 2.9Å; P30-Y98 HydrophobicContact CB-CD2 4.26Å; P30-Y98 HydrophobicContact CB-CG 4.21Å; P30-Y98 HydrophobicContact CG-CD1 4.25Å; P30-Y98 HydrophobicContact CG-CD2 4.29Å; P30-Y98 HydrophobicContact CG-CG 3.78Å; P30-W105 HydrophobicContact CB-CD2 4.12Å; P30-W105 HydrophobicContact CB-CE3 4.06Å; P30-W105 HydrophobicContact CB-CG 4.38Å; P30-W105 HydrophobicContact CG-CB 4.3Å; P30-W105 HydrophobicContact CG-CD2 3.88Å; P30-W105 HydrophobicContact CG-CE3 4.33Å; P30-W105 HydrophobicContact CG-CG 3.84Å; P30-Y107 HydrophobicContact CB-CE2 4.15Å; P30-Y107 WeakPolarHBondContact CB-OH 3.32Å |
| 31 | T | 93.4 | Very high | 87.1 | Confident | 48 Ų | 48 | 65.7 Ų | 65.7 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.3 | -17.4 | -178.1 | 66.4 | 0 | 0 | 0 | 0 | 114.2 | N29 I33 W34 R54 W105 | N29-T31 PolarHBondContact ND2-OG1 3.02Å; N29-T31 PolarHBondContact O-N 3.3Å; N29-T31 PolarHBondContact OD1-N 2.69Å; N29-T31 PolarHBondContact OD1-OG1 2.69Å; T31-I33 VanDerWaalsContact C-N 3.31Å; T31-W34 CarbonylContact C-O 3.44Å; T31-W34 WeakPolarHBondContact CA-O 3.23Å; T31-R54 PolarHBondContact O-NE 3.24Å; T31-R54 PolarHBondContact O-NH2 3.17Å; T31-W105 HydrophobicContact CG2-CH2 4.12Å; T31-W105 HydrophobicContact CG2-CZ3 4.41Å |
| 32 | D | 93.6 | Very high | 88.1 | Confident | 109 Ų | 109 | 66.2 Ų | 66.2 | 58% | 0.583 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -76.4 | -25.1 | 176.4 | -61 | -5.8 | 0 | 0 | 0 | 110.8 | N29 P30 R54 | N29-D32 PolarHBondContact ND2-OD1 3.42Å; N29-D32 PolarHBondContact O-N 2.98Å; P30-D32 PolarHBondContact O-N 3.29Å; D32-R54 WeakPolarHBondContact O-CD 3.46Å |
| 33 | I | 96 | Very high | 88.1 | Confident | 45 Ų | 45 | 63.1 Ų | 63.1 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -103.1 | -38.1 | -179.8 | -60 | 174.2 | 0 | 0 | 0 | 111.2 | V28 P30 T31 K53 R54 Y98 | V28-I33 HydrophobicContact CG1-CD1 3.65Å; P30-I33 PolarHBondContact O-N 3.05Å; P30-I33 VanDerWaalsContact O-N 3.14Å; T31-I33 VanDerWaalsContact C-N 3.31Å; I33-K53 HydrophobicContact CG2-CD 4.39Å; I33-K53 HydrophobicContact CG2-CG 4.17Å; I33-R54 WeakPolarHBondContact O-CB 3.16Å; I33-R54 WeakPolarHBondContact O-CG 3.45Å; I33-R54 PolarHBondContact O-N 3.42Å; I33-Y98 HydrophobicContact CD1-CE1 4.18Å |
| 34 | W | 97.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 128.5 | -173.9 | -69.7 | 91.1 | 0 | 0 | 0 | 111.5 | P30 T31 K53 L58 A60 E96 Y98 Y107 | P30-W34 WeakPolarHBondContact O-CB 3.32Å; P30-W34 PolarHBondContact O-N 2.9Å; T31-W34 CarbonylContact C-O 3.44Å; T31-W34 WeakPolarHBondContact CA-O 3.23Å; W34-K53 HydrophobicContact CD2-CB 3.86Å; W34-K53 HydrophobicContact CD2-CG 4.33Å; W34-K53 HydrophobicContact CE3-CB 3.65Å; W34-K53 HydrophobicContact CH2-CB 3.81Å; W34-K53 HydrophobicContact CH2-CD 4.3Å; W34-K53 HydrophobicContact CZ2-CB 4Å; W34-K53 HydrophobicContact CZ2-CD 3.82Å; W34-K53 HydrophobicContact CZ2-CG 4.31Å; W34-K53 HydrophobicContact CZ3-CB 3.61Å; W34-L58 HydrophobicContact CH2-CD2 3.76Å; W34-L58 HydrophobicContact CH2-CG 4.04Å; W34-L58 HydrophobicContact CZ2-CD2 4.36Å; W34-A60 HydrophobicContact CE3-CB 4.32Å; W34-A60 HydrophobicContact CH2-CB 3.63Å; W34-A60 HydrophobicContact CZ3-CB 3.39Å; W34-E96 WeakPolarHBondContact CZ2-OE2 3.25Å; W34-E96 PolarHBondContact NE1-OE2 3.46Å; W34-Y98 AromaticContact NE1-CE2 3.97Å; W34-Y107 HydrophobicContact CB-CE1 3.58Å; W34-Y107 WeakPolarHBondContact CB-OH 3.27Å; W34-Y107 AromaticContact CD1-CE1 3.89Å; W34-Y107 AromaticContact CD1-CE2 3.91Å; W34-Y107 AromaticContact CD1-CZ 3.65Å; W34-Y107 AromaticContact CD2-CD1 3.54Å; W34-Y107 HydrophobicContact CD2-CD1 3.54Å; W34-Y107 AromaticContact CD2-CE1 3.45Å; W34-Y107 HydrophobicContact CD2-CE1 3.45Å; W34-Y107 VanDerWaalsContact CD2-CE1 3.45Å; W34-Y107 HydrophobicContact CD2-CG 4.18Å; W34-Y107 AromaticContact CE2-CD1 3.75Å; W34-Y107 AromaticContact CE2-CG 3.92Å; W34-Y107 AromaticContact CE3-CD1 3.71Å; W34-Y107 HydrophobicContact CE3-CD1 3.71Å; W34-Y107 AromaticContact CE3-CE1 3.8Å; W34-Y107 HydrophobicContact CE3-CE1 3.8Å; W34-Y107 AromaticContact CG-CD1 3.96Å; W34-Y107 HydrophobicContact CG-CD1 3.96Å; W34-Y107 AromaticContact CG-CE1 3.37Å; W34-Y107 HydrophobicContact CG-CE1 3.37Å; W34-Y107 HydrophobicContact CG-CE2 4.22Å; W34-Y107 AromaticContact CG-CZ 3.53Å; W34-Y107 HydrophobicContact CH2-CD1 4.24Å; W34-Y107 HydrophobicContact CZ2-CD1 4.1Å; W34-Y107 HydrophobicContact CZ2-CG 4.11Å; W34-Y107 HydrophobicContact CZ3-CD1 4.07Å |
| 35 | E | 96.3 | Very high | 86.1 | Confident | 88 Ų | 88 | 69.3 Ų | 69.3 | 41% | 0.411 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 131.4 | 173.8 | -176.8 | 162.7 | -159.4 | 0 | 0 | 110.7 | T51 H52 R54 | E35-T51 CarbonylContact O-C 3.55Å; E35-T51 WeakPolarHBondContact O-CA 2.96Å; E35-T51 VanDerWaalsContact O-CB 3.29Å; E35-T51 WeakPolarHBondContact O-CB 3.47Å; E35-H52 PolarHBondContact N-O 3.23Å; E35-H52 PolarHBondContact O-N 3.08Å; E35-R54 IonicContact OE2-NH1 2.7Å; E35-R54 PolarHBondContact OE2-NH1 2.88Å |
| 36 | I | 95.9 | Very high | 85.2 | Confident | 66 Ų | 66 | 66.1 Ų | 66.1 | 34% | 0.338 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 121.5 | 174 | -58.2 | 170.5 | 0 | 0 | 0 | 108.6 | Y49 T51 L62 W105 | I36-Y49 HydrophobicContact CG2-CD1 3.91Å; I36-Y49 HydrophobicContact CG2-CG 4.09Å; I36-T51 HydrophobicContact CG1-CG2 4.13Å; I36-L62 HydrophobicContact CD1-CD2 4.38Å; I36-L62 HydrophobicContact CG1-CD2 4.34Å; I36-W105 HydrophobicContact CD1-CZ3 4.12Å |
| 37 | I | 92.8 | Very high | 85 | Confident | 86 Ų | 86 | 63.7 Ų | 63.7 | 44% | 0.441 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -53.2 | -175.6 | -65.3 | 168.6 | 0 | 0 | 0 | 111.3 | K50 H52 F59 | I37-K50 PolarHBondContact N-O 3.24Å; I37-H52 HydrophobicContact CD1-CB 3.58Å; I37-H52 HydrophobicContact CG1-CB 4.4Å; I37-F59 HydrophobicContact CD1-CD1 3.98Å; I37-F59 HydrophobicContact CD1-CE1 3.6Å |
| 38 | S | 91.9 | Very high | 85.4 | Confident | 50 Ų | 50 | 60.3 Ų | 60.3 | 35% | 0.35 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 156.8 | -174.9 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | Y49 K50 | S38-Y49 CarbonylContact O-C 3.57Å; S38-Y49 VanDerWaalsContact O-CA 3.28Å; S38-Y49 WeakPolarHBondContact O-CA 3.2Å; S38-K50 PolarHBondContact N-O 3.33Å; S38-K50 PolarHBondContact O-N 2.88Å |
| 39 | E | 91.3 | Very high | 85.7 | Confident | 95 Ų | 95 | 59.3 Ų | 59.3 | 44% | 0.444 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 136.5 | 165.4 | -161.1 | 168 | 124 | 0 | 0 | 109.1 | K47 Y49 | E39-K47 IonicContact OE1-NZ 3.69Å; E39-K47 PolarHBondContact OE1-NZ 2.94Å; E39-K47 IonicContact OE2-NZ 2.7Å; E39-K47 PolarHBondContact OE2-NZ 2.88Å; E39-Y49 HydrophobicContact CB-CD1 4.1Å; E39-Y49 HydrophobicContact CB-CE1 4.13Å; E39-Y49 HydrophobicContact CG-CD1 4.24Å; E39-Y49 HydrophobicContact CG-CE1 4.05Å |
| 40 | L | 85.4 | Confident | 85.9 | Confident | 90 Ų | 90 | 60.9 Ų | 60.9 | 47% | 0.471 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -34.7 | 174.9 | -73.1 | 171.7 | 0 | 0 | 0 | 111.4 | V48 K50 A61 L110 | L40-V48 HydrophobicContact CB-CG1 4.31Å; L40-V48 HydrophobicContact CD1-CG1 4.27Å; L40-V48 PolarHBondContact N-O 3.4Å; L40-K50 HydrophobicContact CD1-CB 3.99Å; L40-K50 HydrophobicContact CD2-CB 4.08Å; L40-K50 HydrophobicContact CG-CB 3.93Å; L40-A61 HydrophobicContact CD1-CB 4.19Å; L40-L110 HydrophobicContact CD1-CD1 3.72Å |
| 41 | G | 79.5 | Confident | 86 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 33% | 0.33 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.8 | 174.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V48 | G41-V48 PolarHBondContact N-O 3.19Å; G41-V48 PolarHBondContact O-N 3.35Å |
| 42 | D | 72.6 | Confident | 86.2 | Confident | 116 Ų | 116 | 60.6 Ų | 60.6 | 62% | 0.62 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 112 | 178.1 | -154.7 | 9.7 | 0 | 0 | 0 | 108.2 | K47 | D42-K47 VanDerWaalsContact OD1-CG 3.27Å; D42-K47 WeakPolarHBondContact OD1-CG 3.46Å |
| 43 | G | 62.2 | Low | 86.4 | Confident | 40 Ų | 40 | 57.4 Ų | 57.4 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 171.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F45 G46 | G43-F45 PolarHBondContact O-N 3.48Å; G43-F45 VanDerWaalsContact O-N 3.1Å; G43-G46 WeakPolarHBondContact CA-O 3.46Å; G43-G46 PolarHBondContact N-O 3.46Å; G43-G46 PolarHBondContact O-N 2.89Å |
| 44 | A | 62.1 | Low | 86.3 | Confident | 104 Ų | 104 | 60 Ų | 60 | 86% | 0.86 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -28.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 45 | F | 64.6 | Low | 86.1 | Confident | 79 Ų | 79 | 68 Ų | 68 | 35% | 0.346 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 5.7 | 179.9 | -53.2 | -76.5 | 0 | 0 | 0 | 113.6 | G43 V65 F76 | G43-F45 PolarHBondContact O-N 3.48Å; G43-F45 VanDerWaalsContact O-N 3.1Å; F45-V65 HydrophobicContact CB-CG2 4.44Å; F45-F76 HydrophobicContact CB-CE1 4.39Å; F45-F76 HydrophobicContact CD1-CE1 4.06Å; F45-F76 HydrophobicContact CD1-CZ 4.42Å; F45-F76 HydrophobicContact CG-CE1 4.39Å |
| 46 | G | 70.4 | Confident | 86.1 | Confident | 25 Ų | 25 | 66.6 Ų | 66.6 | 26% | 0.258 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 122.2 | -170.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G43 | G43-G46 WeakPolarHBondContact CA-O 3.46Å; G43-G46 PolarHBondContact N-O 3.46Å; G43-G46 PolarHBondContact O-N 2.89Å |
| 47 | K | 83.6 | Confident | 85.8 | Confident | 68 Ų | 68 | 70.8 Ų | 70.8 | 30% | 0.296 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 139.5 | -169.4 | -72 | 174.5 | 171.3 | -79.7 | 0 | 113 | E39 D42 Y49 R64 | E39-K47 IonicContact OE1-NZ 3.69Å; E39-K47 PolarHBondContact OE1-NZ 2.94Å; E39-K47 IonicContact OE2-NZ 2.7Å; E39-K47 PolarHBondContact OE2-NZ 2.88Å; D42-K47 VanDerWaalsContact OD1-CG 3.27Å; D42-K47 WeakPolarHBondContact OD1-CG 3.46Å; K47-Y49 HydrophobicContact CB-CD2 4.4Å; K47-Y49 HydrophobicContact CB-CE2 3.59Å; K47-Y49 VanDerWaalsContact CD-OH 3.28Å; K47-Y49 WeakPolarHBondContact CD-OH 3.32Å; K47-R64 PolarHBondContact O-N 2.83Å |
| 48 | V | 90.3 | Very high | 86 | Confident | 42 Ų | 42 | 69.5 Ų | 69.5 | 26% | 0.255 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 131.7 | 173.6 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | L40 G41 A61 L62 | L40-V48 HydrophobicContact CB-CG1 4.31Å; L40-V48 HydrophobicContact CD1-CG1 4.27Å; L40-V48 PolarHBondContact N-O 3.4Å; G41-V48 PolarHBondContact N-O 3.19Å; G41-V48 PolarHBondContact O-N 3.35Å; V48-A61 HydrophobicContact CG1-CB 4.2Å; V48-L62 CarbonylContact C-O 3.53Å; V48-L62 VanDerWaalsContact CA-O 3.26Å; V48-L62 WeakPolarHBondContact CA-O 3.44Å |
| 49 | Y | 94.4 | Very high | 86.2 | Confident | 30 Ų | 30 | 71.3 Ų | 71.3 | 12% | 0.118 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 146.6 | -178 | -59.4 | -86.4 | 0 | 0 | 0 | 112 | I36 S38 E39 K47 A61 L62 R64 | I36-Y49 HydrophobicContact CG2-CD1 3.91Å; I36-Y49 HydrophobicContact CG2-CG 4.09Å; S38-Y49 CarbonylContact O-C 3.57Å; S38-Y49 VanDerWaalsContact O-CA 3.28Å; S38-Y49 WeakPolarHBondContact O-CA 3.2Å; E39-Y49 HydrophobicContact CB-CD1 4.1Å; E39-Y49 HydrophobicContact CB-CE1 4.13Å; E39-Y49 HydrophobicContact CG-CD1 4.24Å; E39-Y49 HydrophobicContact CG-CE1 4.05Å; K47-Y49 HydrophobicContact CB-CD2 4.4Å; K47-Y49 HydrophobicContact CB-CE2 3.59Å; K47-Y49 VanDerWaalsContact CD-OH 3.28Å; K47-Y49 WeakPolarHBondContact CD-OH 3.32Å; Y49-A61 CarbonylContact O-C 3.34Å; Y49-A61 WeakPolarHBondContact O-CA 3.41Å; Y49-L62 HydrophobicContact CD2-CD2 4.27Å; Y49-L62 HydrophobicContact CD2-CG 4.48Å; Y49-L62 PolarHBondContact N-O 2.87Å; Y49-L62 PolarHBondContact O-N 3.47Å; Y49-R64 PolarHBondContact OH-NH2 2.91Å |
| 50 | K | 95.6 | Very high | 86.5 | Confident | 66 Ų | 66 | 66.8 Ų | 66.8 | 29% | 0.287 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 126.8 | 163.6 | -176.8 | 173.8 | 178.3 | 176 | 0 | 108.4 | I37 S38 L40 L110 | I37-K50 PolarHBondContact N-O 3.24Å; S38-K50 PolarHBondContact N-O 3.33Å; S38-K50 PolarHBondContact O-N 2.88Å; L40-K50 HydrophobicContact CD1-CB 3.99Å; L40-K50 HydrophobicContact CD2-CB 4.08Å; L40-K50 HydrophobicContact CG-CB 3.93Å; K50-L110 HydrophobicContact CD-CD2 4.1Å; K50-L110 HydrophobicContact CG-CD2 4.04Å |
| 51 | T | 97.6 | Very high | 87 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 163.1 | 177.3 | 62.6 | 0 | 0 | 0 | 0 | 111.7 | E35 I36 F59 A60 L62 Y107 | E35-T51 CarbonylContact O-C 3.55Å; E35-T51 WeakPolarHBondContact O-CA 2.96Å; E35-T51 VanDerWaalsContact O-CB 3.29Å; E35-T51 WeakPolarHBondContact O-CB 3.47Å; I36-T51 HydrophobicContact CG1-CG2 4.13Å; T51-F59 VanDerWaalsContact O-CA 3.3Å; T51-F59 WeakPolarHBondContact O-CA 3.22Å; T51-A60 PolarHBondContact N-O 3.15Å; T51-A60 PolarHBondContact O-N 2.95Å; T51-A60 PolarHBondContact OG1-O 3.35Å; T51-L62 HydrophobicContact CG2-CB 3.5Å; T51-L62 HydrophobicContact CG2-CD2 3.9Å; T51-L62 HydrophobicContact CG2-CG 4.36Å; T51-Y107 HydrophobicContact CG2-CE1 4.03Å; T51-Y107 WeakPolarHBondContact OG1-CD1 3.38Å; T51-Y107 WeakPolarHBondContact OG1-CE1 3.25Å |
| 52 | H | 97.1 | Very high | 87.8 | Confident | 41 Ų | 41 | 61.6 Ų | 61.6 | 19% | 0.19 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 129.4 | 178.2 | 169.6 | -103.9 | 0 | 0 | 0 | 109.5 | E35 I37 R54 T56 L58 F59 | E35-H52 PolarHBondContact N-O 3.23Å; E35-H52 PolarHBondContact O-N 3.08Å; I37-H52 HydrophobicContact CD1-CB 3.58Å; I37-H52 HydrophobicContact CG1-CB 4.4Å; H52-R54 PolarHBondContact O-N 3.24Å; H52-T56 PolarHBondContact NE2-O 3.23Å; H52-L58 WeakPolarHBondContact CA-O 3.47Å; H52-F59 HydrophobicContact CB-CD1 3.94Å; H52-F59 HydrophobicContact CB-CE1 3.89Å; H52-F59 AromaticContact CD2-CE1 3.75Å; H52-F59 AromaticContact CD2-CE2 3.88Å; H52-F59 AromaticContact CD2-CZ 3.61Å |
| 53 | K | 97.3 | Very high | 88.7 | Confident | 43 Ų | 43 | 57 Ų | 57 | 19% | 0.187 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 119.6 | -179.8 | -178.2 | 166.7 | -172 | 162.3 | 0 | 109.8 | I33 W34 N55 T56 L58 E96 | I33-K53 HydrophobicContact CG2-CD 4.39Å; I33-K53 HydrophobicContact CG2-CG 4.17Å; W34-K53 HydrophobicContact CD2-CB 3.86Å; W34-K53 HydrophobicContact CD2-CG 4.33Å; W34-K53 HydrophobicContact CE3-CB 3.65Å; W34-K53 HydrophobicContact CH2-CB 3.81Å; W34-K53 HydrophobicContact CH2-CD 4.3Å; W34-K53 HydrophobicContact CZ2-CB 4Å; W34-K53 HydrophobicContact CZ2-CD 3.82Å; W34-K53 HydrophobicContact CZ2-CG 4.31Å; W34-K53 HydrophobicContact CZ3-CB 3.61Å; K53-N55 PolarHBondContact O-N 3.41Å; K53-T56 WeakPolarHBondContact CB-OG1 2.99Å; K53-T56 HydrophobicContact CG-CG2 4.41Å; K53-T56 PolarHBondContact O-N 3.23Å; K53-T56 VanDerWaalsContact O-N 3.16Å; K53-T56 PolarHBondContact O-OG1 2.92Å; K53-L58 HydrophobicContact CB-CB 4.27Å; K53-L58 HydrophobicContact CD-CD2 4.41Å; K53-L58 PolarHBondContact N-O 2.96Å; K53-E96 IonicContact NZ-OE1 3.73Å; K53-E96 PolarHBondContact NZ-OE1 3.49Å; K53-E96 IonicContact NZ-OE2 3.43Å; K53-E96 PolarHBondContact NZ-OE2 3.03Å; K53-E96 VanDerWaalsContact NZ-OE2 3.08Å |
| 54 | R | 95 | Very high | 90.1 | Very high | 98 Ų | 98 | 57.8 Ų | 57.8 | 37% | 0.37 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 138.9 | -176.3 | -61.6 | -176.9 | -166.5 | -75.8 | 2.7 | 110.7 | T31 D32 I33 E35 H52 T56 | T31-R54 PolarHBondContact O-NE 3.24Å; T31-R54 PolarHBondContact O-NH2 3.17Å; D32-R54 WeakPolarHBondContact O-CD 3.46Å; I33-R54 WeakPolarHBondContact O-CB 3.16Å; I33-R54 WeakPolarHBondContact O-CG 3.45Å; I33-R54 PolarHBondContact O-N 3.42Å; E35-R54 IonicContact OE2-NH1 2.7Å; E35-R54 PolarHBondContact OE2-NH1 2.88Å; H52-R54 PolarHBondContact O-N 3.24Å; R54-T56 PolarHBondContact O-N 2.95Å |
| 55 | N | 92.7 | Very high | 91.3 | Very high | 169 Ų | 169 | 53.2 Ų | 53.2 | 90% | 0.904 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 17.3 | -178.7 | -43.7 | -52.1 | 0 | 0 | 0 | 115.4 | K53 | K53-N55 PolarHBondContact O-N 3.41Š|
| 56 | T | 94.8 | Very high | 92.4 | Very high | 58 Ų | 58 | 54.7 Ų | 54.7 | 36% | 0.356 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -138.9 | 162.2 | 170.2 | 72.1 | 0 | 0 | 0 | 0 | 109.2 | H52 K53 R54 L58 | H52-T56 PolarHBondContact NE2-O 3.23Å; K53-T56 WeakPolarHBondContact CB-OG1 2.99Å; K53-T56 HydrophobicContact CG-CG2 4.41Å; K53-T56 PolarHBondContact O-N 3.23Å; K53-T56 VanDerWaalsContact O-N 3.16Å; K53-T56 PolarHBondContact O-OG1 2.92Å; R54-T56 PolarHBondContact O-N 2.95Å; T56-L58 PolarHBondContact O-N 3.29Å; T56-L58 PolarHBondContact OG1-N 3.2Å |
| 57 | D | 91.2 | Very high | 93.1 | Very high | 154 Ų | 154 | 54.5 Ų | 54.5 | 82% | 0.824 | 27% | 0.268 | S | S | * | . | trans | -84.8 | 15.3 | 174.7 | -55.1 | -60.3 | 0 | 0 | 0 | 113.3 | F59 | D57-F59 WeakPolarHBondContact O-CD2 3.35Å; D57-F59 PolarHBondContact O-N 2.93Å | ||
| 58 | L | 95.9 | Very high | 93 | Very high | 60 Ų | 60 | 60 Ų | 60 | 31% | 0.314 | 30% | 0.295 | S | S | . | . | trans | -82.6 | 116.6 | -173.4 | -178.7 | 63.6 | 0 | 0 | 0 | 111.8 | W34 H52 K53 T56 | W34-L58 HydrophobicContact CH2-CD2 3.76Å; W34-L58 HydrophobicContact CH2-CG 4.04Å; W34-L58 HydrophobicContact CZ2-CD2 4.36Å; H52-L58 WeakPolarHBondContact CA-O 3.47Å; K53-L58 HydrophobicContact CB-CB 4.27Å; K53-L58 HydrophobicContact CD-CD2 4.41Å; K53-L58 PolarHBondContact N-O 2.96Å; T56-L58 PolarHBondContact O-N 3.29Å; T56-L58 PolarHBondContact OG1-N 3.2Å | ||
| 59 | F | 96.7 | Very high | 92.5 | Very high | 87 Ų | 87 | 60.1 Ų | 60.1 | 38% | 0.382 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 145.1 | 168.2 | -66.9 | -91.8 | 0 | 0 | 0 | 111.3 | I37 T51 H52 D57 L110 | I37-F59 HydrophobicContact CD1-CD1 3.98Å; I37-F59 HydrophobicContact CD1-CE1 3.6Å; T51-F59 VanDerWaalsContact O-CA 3.3Å; T51-F59 WeakPolarHBondContact O-CA 3.22Å; H52-F59 HydrophobicContact CB-CD1 3.94Å; H52-F59 HydrophobicContact CB-CE1 3.89Å; H52-F59 AromaticContact CD2-CE1 3.75Å; H52-F59 AromaticContact CD2-CE2 3.88Å; H52-F59 AromaticContact CD2-CZ 3.61Å; D57-F59 WeakPolarHBondContact O-CD2 3.35Å; D57-F59 PolarHBondContact O-N 2.93Å; F59-L110 HydrophobicContact CB-CD2 3.76Å |
| 60 | A | 97.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 164.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | W34 T51 Y107 L108 | W34-A60 HydrophobicContact CE3-CB 4.32Å; W34-A60 HydrophobicContact CH2-CB 3.63Å; W34-A60 HydrophobicContact CZ3-CB 3.39Å; T51-A60 PolarHBondContact N-O 3.15Å; T51-A60 PolarHBondContact O-N 2.95Å; T51-A60 PolarHBondContact OG1-O 3.35Å; A60-Y107 HydrophobicContact CB-CD1 4.21Å; A60-L108 CarbonylContact C-O 3.59Å; A60-L108 VanDerWaalsContact CA-O 3.26Å; A60-L108 WeakPolarHBondContact CA-O 3.45Å; A60-L108 VanDerWaalsContact CB-O 3.23Å; A60-L108 WeakPolarHBondContact CB-O 3.25Å |
| 61 | A | 95.9 | Very high | 90.7 | Very high | 13 Ų | 13 | 65.6 Ų | 65.6 | 11% | 0.107 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 112.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | L40 V48 Y49 L108 L110 | L40-A61 HydrophobicContact CD1-CB 4.19Å; V48-A61 HydrophobicContact CG1-CB 4.2Å; Y49-A61 CarbonylContact O-C 3.34Å; Y49-A61 WeakPolarHBondContact O-CA 3.41Å; A61-L108 PolarHBondContact N-O 3.11Å; A61-L108 WeakPolarHBondContact O-CB 3.44Å; A61-L108 PolarHBondContact O-N 3.47Å; A61-L110 HydrophobicContact CB-CD1 4.19Å |
| 62 | L | 95.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 111.9 | 175 | 165.9 | 63.1 | 0 | 0 | 0 | 109.9 | I36 V48 Y49 T51 R64 W105 I106 Y107 | I36-L62 HydrophobicContact CD1-CD2 4.38Å; I36-L62 HydrophobicContact CG1-CD2 4.34Å; V48-L62 CarbonylContact C-O 3.53Å; V48-L62 VanDerWaalsContact CA-O 3.26Å; V48-L62 WeakPolarHBondContact CA-O 3.44Å; Y49-L62 HydrophobicContact CD2-CD2 4.27Å; Y49-L62 HydrophobicContact CD2-CG 4.48Å; Y49-L62 PolarHBondContact N-O 2.87Å; Y49-L62 PolarHBondContact O-N 3.47Å; T51-L62 HydrophobicContact CG2-CB 3.5Å; T51-L62 HydrophobicContact CG2-CD2 3.9Å; T51-L62 HydrophobicContact CG2-CG 4.36Å; L62-R64 HydrophobicContact CD1-CB 4.3Å; L62-R64 HydrophobicContact CG-CB 4.25Å; L62-W105 HydrophobicContact CD1-CB 3.86Å; L62-W105 HydrophobicContact CD1-CD2 4.36Å; L62-W105 HydrophobicContact CD1-CE3 3.74Å; L62-W105 HydrophobicContact CD1-CG 4.46Å; L62-W105 HydrophobicContact CD2-CE3 3.47Å; L62-W105 VanDerWaalsContact CD2-CE3 3.47Å; L62-W105 HydrophobicContact CD2-CZ3 3.6Å; L62-W105 HydrophobicContact CG-CE3 4.23Å; L62-I106 WeakPolarHBondContact CA-O 3.41Å; L62-Y107 HydrophobicContact CB-CD1 4.18Å; L62-Y107 HydrophobicContact CB-CE1 4.02Å; L62-Y107 HydrophobicContact CD1-CD1 4.4Å; L62-Y107 HydrophobicContact CD1-CD2 4.45Å; L62-Y107 HydrophobicContact CD1-CE1 4.06Å; L62-Y107 HydrophobicContact CD1-CE2 4.1Å; L62-Y107 HydrophobicContact CD2-CE1 4.33Å; L62-Y107 HydrophobicContact CG-CE1 4.35Å |
| 63 | K | 92.3 | Very high | 88.8 | Confident | 21 Ų | 21 | 67.8 Ų | 67.8 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 109.3 | 162.5 | -176.7 | -179 | -174.1 | -178.4 | 0 | 106.6 | V65 E79 I106 L108 D173 | K63-V65 HydrophobicContact CG-CG2 4.38Å; K63-E79 VanDerWaalsContact NZ-CD 3.25Å; K63-E79 IonicContact NZ-OE1 3.28Å; K63-E79 PolarHBondContact NZ-OE1 3.24Å; K63-E79 IonicContact NZ-OE2 3.29Å; K63-E79 PolarHBondContact NZ-OE2 2.99Å; K63-I106 HydrophobicContact CB-CB 4.31Å; K63-I106 HydrophobicContact CD-CD1 4.47Å; K63-I106 PolarHBondContact N-O 3.15Å; K63-I106 PolarHBondContact O-N 3.2Å; K63-L108 HydrophobicContact CB-CD1 4.33Å; K63-D173 IonicContact NZ-OD1 3.01Å; K63-D173 PolarHBondContact NZ-OD1 3.04Å |
| 64 | R | 90.6 | Very high | 87.8 | Confident | 55 Ų | 55 | 72.4 Ų | 72.4 | 21% | 0.208 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 124.4 | 178.3 | -170.6 | -177.6 | 69.3 | -135.8 | -10.3 | 110.2 | K47 Y49 L62 K103 L104 W105 | K47-R64 PolarHBondContact O-N 2.83Å; Y49-R64 PolarHBondContact OH-NH2 2.91Å; L62-R64 HydrophobicContact CD1-CB 4.3Å; L62-R64 HydrophobicContact CG-CB 4.25Å; R64-K103 HydrophobicContact CG-CB 4.48Å; R64-L104 WeakPolarHBondContact CA-O 3.42Å; R64-W105 HydrophobicContact CG-CD2 4.09Å; R64-W105 HydrophobicContact CG-CE3 4.37Å; R64-W105 HydrophobicContact CG-CG 4.49Å; R64-W105 HydrophobicContact CG-CZ2 4.48Å |
| 65 | V | 88.2 | Confident | 86.7 | Confident | 9 Ų | 9 | 73.8 Ų | 73.8 | 6% | 0.055 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.1 | -177.6 | -170.4 | 0 | 0 | 0 | 0 | 109.2 | F45 K63 F76 K103 L104 | F45-V65 HydrophobicContact CB-CG2 4.44Å; K63-V65 HydrophobicContact CG-CG2 4.38Å; V65-F76 HydrophobicContact CG1-CE1 3.98Å; V65-F76 HydrophobicContact CG1-CE2 4.13Å; V65-F76 HydrophobicContact CG1-CZ 3.61Å; V65-F76 HydrophobicContact CG2-CE1 4.17Å; V65-K103 CarbonylContact O-C 3.12Å; V65-K103 VanDerWaalsContact O-CA 3.28Å; V65-K103 WeakPolarHBondContact O-CA 3.41Å; V65-L104 HydrophobicContact CB-CB 4.43Å; V65-L104 PolarHBondContact N-O 3.47Å; V65-L104 PolarHBondContact O-N 3.48Å |
| 66 | D | 87.8 | Confident | 86.2 | Confident | 109 Ų | 109 | 67 Ų | 67 | 58% | 0.583 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 139.8 | 171.6 | -56.4 | -32.2 | 0 | 0 | 0 | 108.5 | K103 | D66-K103 WeakPolarHBondContact OD1-CD 3.32Å; D66-K103 WeakPolarHBondContact OD1-CE 3.35Å; D66-K103 WeakPolarHBondContact OD1-CG 3.42Å |
| 67 | F | 84.4 | Confident | 85.8 | Confident | 22 Ų | 22 | 65.5 Ų | 65.5 | 10% | 0.096 | 33% | 0.327 | C | S | . | . | trans | -137.4 | 146.3 | 178.5 | 66.1 | -94.7 | 0 | 0 | 0 | 112 | S69 E72 L73 I99 S102 L104 | F67-S69 WeakPolarHBondContact CD2-O 3.29Å; F67-E72 HydrophobicContact CB-CB 4.5Å; F67-L73 HydrophobicContact CE1-CD1 4.42Å; F67-I99 HydrophobicContact CE1-CG2 4.13Å; F67-I99 HydrophobicContact CZ-CG2 3.76Å; F67-S102 WeakPolarHBondContact CD1-O 3.23Å; F67-S102 PolarHBondContact N-O 3.39Å; F67-L104 HydrophobicContact CD1-CB 4.2Å; F67-L104 HydrophobicContact CE1-CB 4.23Å | ||
| 68 | E | 81.2 | Confident | 85.4 | Confident | 184 Ų | 184 | 60.7 Ų | 60.7 | 86% | 0.86 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -95.2 | -25.6 | -177.5 | -64 | -169.5 | -178 | 0 | 0 | 112.8 | E72 | E68-E72 PolarHBondContact N-OE2 2.75Š|
| 69 | S | 80.4 | Confident | 85.1 | Confident | 44 Ų | 44 | 58 Ų | 58 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -141.9 | 159.1 | -177.6 | 70.5 | 0 | 0 | 0 | 0 | 113.7 | F67 D71 E72 | F67-S69 WeakPolarHBondContact CD2-O 3.29Å; S69-D71 PolarHBondContact O-N 2.91Å; S69-E72 PolarHBondContact O-N 3.03Å; S69-E72 PolarHBondContact OG-N 2.63Å |
| 70 | E | 78.9 | Confident | 84.8 | Confident | 98 Ų | 98 | 53.9 Ų | 53.9 | 46% | 0.458 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.7 | -18.1 | 174.1 | -163.3 | 85.4 | -174.3 | 0 | 0 | 111.9 | R26 L73 | R26-E70 IonicContact CZ-OE1 3.8Å; R26-E70 IonicContact NH1-OE1 2.88Å; R26-E70 PolarHBondContact NH1-OE1 3.33Å; R26-E70 IonicContact NH1-OE2 2.77Å; R26-E70 PolarHBondContact NH1-OE2 3.25Å; R26-E70 IonicContact NH2-OE1 3.84Å; R26-E70 PolarHBondContact NH2-OE1 3.01Å; E70-L73 WeakPolarHBondContact O-CB 3.37Å; E70-L73 PolarHBondContact O-N 3.24Å |
| 71 | D | 74.1 | Confident | 84.3 | Confident | 112 Ų | 112 | 55.4 Ų | 55.4 | 60% | 0.599 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -74.5 | -38.9 | 176.4 | -60.3 | -18.7 | 0 | 0 | 0 | 110.8 | S69 L73 E74 | S69-D71 PolarHBondContact O-N 2.91Å; D71-L73 PolarHBondContact O-N 3.11Å; D71-E74 WeakPolarHBondContact O-CB 3.03Å; D71-E74 PolarHBondContact O-N 3Å; D71-E74 VanDerWaalsContact O-N 3.16Å |
| 72 | E | 75.5 | Confident | 84 | Confident | 83 Ų | 83 | 54.8 Ų | 54.8 | 39% | 0.388 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.1 | -26.1 | 171.8 | -72.2 | 173 | 178.4 | 0 | 0 | 112.8 | F67 E68 S69 E74 F76 | F67-E72 HydrophobicContact CB-CB 4.5Å; E68-E72 PolarHBondContact N-OE2 2.75Å; S69-E72 PolarHBondContact O-N 3.03Å; S69-E72 PolarHBondContact OG-N 2.63Å; E72-E74 PolarHBondContact O-N 3.21Å; E72-F76 VanDerWaalsContact O-CD2 3.32Å; E72-F76 WeakPolarHBondContact O-CD2 3.38Å; E72-F76 WeakPolarHBondContact O-CE2 3.47Å |
| 73 | L | 79.7 | Confident | 83.9 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.6 | -28.6 | 177.2 | -174.3 | 65.1 | 0 | 0 | 0 | 111.6 | F67 E70 D71 D75 F76 M77 I99 L104 | F67-L73 HydrophobicContact CE1-CD1 4.42Å; E70-L73 WeakPolarHBondContact O-CB 3.37Å; E70-L73 PolarHBondContact O-N 3.24Å; D71-L73 PolarHBondContact O-N 3.11Å; L73-D75 VanDerWaalsContact C-N 3.29Å; L73-D75 PolarHBondContact O-N 2.95Å; L73-F76 PolarHBondContact O-N 3.32Å; L73-F76 VanDerWaalsContact O-N 3.12Å; L73-M77 HydrophobicContact CD1-CE 3.57Å; L73-M77 HydrophobicContact CD2-CE 4.4Å; L73-M77 HydrophobicContact CG-CE 3.68Å; L73-M77 HydrophobicContact CG-SD 4.29Å; L73-M77 WeakPolarHBondContact O-CG 3.49Å; L73-M77 PolarHBondContact O-N 3.47Å; L73-M77 VanDerWaalsContact O-N 3.15Å; L73-I99 HydrophobicContact CD1-CD1 4.12Å; L73-I99 HydrophobicContact CD2-CD1 3.55Å; L73-I99 HydrophobicContact CG-CD1 4.49Å; L73-L104 HydrophobicContact CD1-CD1 4.09Å; L73-L104 HydrophobicContact CD1-CD2 3.94Å; L73-L104 HydrophobicContact CD1-CG 4.41Å |
| 74 | E | 76 | Confident | 83.9 | Confident | 141 Ų | 141 | 55.5 Ų | 55.5 | 66% | 0.659 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60 | -35.8 | -178 | -62.4 | -159.7 | 151.8 | 0 | 0 | 112.6 | D71 E72 F76 M77 | D71-E74 WeakPolarHBondContact O-CB 3.03Å; D71-E74 PolarHBondContact O-N 3Å; D71-E74 VanDerWaalsContact O-N 3.16Å; E72-E74 PolarHBondContact O-N 3.21Å; E74-F76 VanDerWaalsContact C-N 3.3Å; E74-F76 PolarHBondContact O-N 2.98Å; E74-M77 WeakPolarHBondContact O-CB 3.47Å; E74-M77 PolarHBondContact O-N 3.5Å; E74-M77 VanDerWaalsContact O-N 3.14Å |
| 75 | D | 71.8 | Confident | 83.9 | Confident | 126 Ų | 126 | 57.3 Ų | 57.3 | 67% | 0.674 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.9 | -37.6 | 177.1 | -76.6 | -23.5 | 0 | 0 | 0 | 111.8 | L73 | L73-D75 VanDerWaalsContact C-N 3.29Å; L73-D75 PolarHBondContact O-N 2.95Å |
| 76 | F | 82.5 | Confident | 84.1 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -79.2 | -21.3 | 176.6 | -57.2 | -78.3 | 0 | 0 | 0 | 113.5 | F45 V65 E72 L73 E74 L78 E79 I80 L104 | F45-F76 HydrophobicContact CB-CE1 4.39Å; F45-F76 HydrophobicContact CD1-CE1 4.06Å; F45-F76 HydrophobicContact CD1-CZ 4.42Å; F45-F76 HydrophobicContact CG-CE1 4.39Å; V65-F76 HydrophobicContact CG1-CE1 3.98Å; V65-F76 HydrophobicContact CG1-CE2 4.13Å; V65-F76 HydrophobicContact CG1-CZ 3.61Å; V65-F76 HydrophobicContact CG2-CE1 4.17Å; E72-F76 VanDerWaalsContact O-CD2 3.32Å; E72-F76 WeakPolarHBondContact O-CD2 3.38Å; E72-F76 WeakPolarHBondContact O-CE2 3.47Å; L73-F76 PolarHBondContact O-N 3.32Å; L73-F76 VanDerWaalsContact O-N 3.12Å; E74-F76 VanDerWaalsContact C-N 3.3Å; E74-F76 PolarHBondContact O-N 2.98Å; F76-L78 PolarHBondContact O-N 3.38Å; F76-E79 PolarHBondContact O-N 3.05Å; F76-I80 PolarHBondContact O-N 3.48Å; F76-L104 HydrophobicContact CB-CD2 3.51Å; F76-L104 HydrophobicContact CD1-CD2 4.34Å; F76-L104 HydrophobicContact CD2-CD2 4.28Å; F76-L104 HydrophobicContact CG-CD2 3.78Å |
| 77 | M | 85.2 | Confident | 84.4 | Confident | 25 Ų | 25 | 58.5 Ų | 58.5 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -28.7 | 179.5 | -66.9 | -54.9 | 86.2 | 0 | 0 | 112.4 | F20 I24 L73 E74 I80 D81 | F20-M77 HydrophobicContact CD1-SD 3.97Å; F20-M77 HydrophobicContact CE1-CB 3.84Å; F20-M77 HydrophobicContact CE1-CG 4.35Å; F20-M77 HydrophobicContact CE1-SD 4.25Å; F20-M77 HydrophobicContact CZ-CB 4.16Å; I24-M77 HydrophobicContact CD1-CE 3.76Å; I24-M77 HydrophobicContact CD1-SD 3.51Å; I24-M77 VanDerWaalsContact CD1-SD 3.51Å; L73-M77 HydrophobicContact CD1-CE 3.57Å; L73-M77 HydrophobicContact CD2-CE 4.4Å; L73-M77 HydrophobicContact CG-CE 3.68Å; L73-M77 HydrophobicContact CG-SD 4.29Å; L73-M77 WeakPolarHBondContact O-CG 3.49Å; L73-M77 PolarHBondContact O-N 3.47Å; L73-M77 VanDerWaalsContact O-N 3.15Å; E74-M77 WeakPolarHBondContact O-CB 3.47Å; E74-M77 PolarHBondContact O-N 3.5Å; E74-M77 VanDerWaalsContact O-N 3.14Å; M77-I80 HydrophobicContact CE-CD1 3.63Å; M77-D81 WeakPolarHBondContact O-CB 3.37Å; M77-D81 PolarHBondContact O-N 3.4Å |
| 78 | L | 83.3 | Confident | 85 | Confident | 53 Ų | 53 | 60 Ų | 60 | 28% | 0.277 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.6 | -42.4 | 178 | -175.6 | 56.6 | 0 | 0 | 0 | 112.7 | F76 I82 S177 K179 | F76-L78 PolarHBondContact O-N 3.38Å; L78-I82 HydrophobicContact CD1-CD1 4.05Å; L78-I82 HydrophobicContact CD1-CG1 4.38Å; L78-I82 HydrophobicContact CG-CD1 4.12Å; L78-I82 WeakPolarHBondContact O-CB 3.37Å; L78-I82 VanDerWaalsContact O-CG1 3.28Å; L78-I82 WeakPolarHBondContact O-CG1 3.39Å; L78-I82 PolarHBondContact O-N 2.89Å; L78-S177 WeakPolarHBondContact CD2-O 3.48Å; L78-K179 HydrophobicContact CD1-CD 4.33Å; L78-K179 HydrophobicContact CD1-CG 4.19Å |
| 79 | E | 88.6 | Confident | 85.8 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -47.5 | 173.3 | 170.7 | 167 | -136 | 0 | 0 | 110.7 | K63 F76 I82 L83 F174 | K63-E79 VanDerWaalsContact NZ-CD 3.25Å; K63-E79 IonicContact NZ-OE1 3.28Å; K63-E79 PolarHBondContact NZ-OE1 3.24Å; K63-E79 IonicContact NZ-OE2 3.29Å; K63-E79 PolarHBondContact NZ-OE2 2.99Å; F76-E79 PolarHBondContact O-N 3.05Å; E79-I82 PolarHBondContact O-N 3.43Å; E79-L83 HydrophobicContact CG-CD1 3.7Å; E79-L83 HydrophobicContact CG-CG 4.46Å; E79-L83 WeakPolarHBondContact O-CB 3.4Å; E79-L83 VanDerWaalsContact O-CG 3.3Å; E79-L83 WeakPolarHBondContact O-CG 3.45Å; E79-L83 PolarHBondContact O-N 3.18Å; E79-F174 HydrophobicContact CB-CB 4.29Å; E79-F174 HydrophobicContact CG-CB 4.11Å; E79-F174 PolarHBondContact OE1-N 2.91Å |
| 80 | I | 90.4 | Very high | 86.6 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.3 | -44.6 | -179.9 | -72.8 | 163 | 0 | 0 | 0 | 111.6 | T23 F76 M77 L83 T84 L94 V97 L104 I106 | T23-I80 HydrophobicContact CG2-CG2 4.4Å; F76-I80 PolarHBondContact O-N 3.48Å; M77-I80 HydrophobicContact CE-CD1 3.63Å; I80-L83 PolarHBondContact O-N 3.33Å; I80-T84 WeakPolarHBondContact O-CB 3.27Å; I80-T84 PolarHBondContact O-N 3.01Å; I80-T84 PolarHBondContact O-OG1 2.85Å; I80-L94 HydrophobicContact CG2-CD2 4.16Å; I80-V97 HydrophobicContact CD1-CG1 3.83Å; I80-V97 HydrophobicContact CD1-CG2 4.22Å; I80-V97 HydrophobicContact CG1-CG2 4.16Å; I80-V97 HydrophobicContact CG2-CG2 4.1Å; I80-L104 HydrophobicContact CD1-CD1 4.08Å; I80-L104 HydrophobicContact CD1-CD2 4.05Å; I80-I106 HydrophobicContact CD1-CD1 4.02Å; I80-I106 HydrophobicContact CD1-CG1 4.29Å; I80-I106 HydrophobicContact CG1-CD1 4.19Å |
| 81 | D | 89 | Confident | 87.5 | Confident | 33 Ų | 33 | 48.5 Ų | 48.5 | 18% | 0.176 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 176.2 | 176.4 | 4.1 | 0 | 0 | 0 | 111.4 | F20 M77 T84 N85 K179 | F20-D81 HydrophobicContact CE1-CB 3.98Å; F20-D81 HydrophobicContact CZ-CB 4.18Å; M77-D81 WeakPolarHBondContact O-CB 3.37Å; M77-D81 PolarHBondContact O-N 3.4Å; D81-T84 PolarHBondContact O-N 3.47Å; D81-N85 WeakPolarHBondContact O-CB 3.33Å; D81-N85 PolarHBondContact O-N 2.78Å; D81-N85 PolarHBondContact O-ND2 3.01Å; D81-N85 PolarHBondContact OD1-ND2 2.93Å; D81-K179 IonicContact OD1-NZ 3.43Å; D81-K179 PolarHBondContact OD1-NZ 2.89Å; D81-K179 WeakPolarHBondContact OD2-CE 3.39Å; D81-K179 IonicContact OD2-NZ 3.52Å; D81-K179 PolarHBondContact OD2-NZ 2.71Å |
| 82 | I | 89.2 | Confident | 88.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.5 | -54.3 | 177.4 | -71 | 167 | 0 | 0 | 0 | 110.6 | L78 E79 T84 N85 F86 I151 F174 K179 | L78-I82 HydrophobicContact CD1-CD1 4.05Å; L78-I82 HydrophobicContact CD1-CG1 4.38Å; L78-I82 HydrophobicContact CG-CD1 4.12Å; L78-I82 WeakPolarHBondContact O-CB 3.37Å; L78-I82 VanDerWaalsContact O-CG1 3.28Å; L78-I82 WeakPolarHBondContact O-CG1 3.39Å; L78-I82 PolarHBondContact O-N 2.89Å; E79-I82 PolarHBondContact O-N 3.43Å; I82-T84 PolarHBondContact O-N 3.23Å; I82-N85 PolarHBondContact O-N 2.94Å; I82-F86 HydrophobicContact CG2-CD2 4.42Å; I82-F86 WeakPolarHBondContact O-CD2 3.33Å; I82-F86 PolarHBondContact O-N 3.37Å; I82-I151 HydrophobicContact CD1-CG2 4.01Å; I82-I151 HydrophobicContact CG1-CD1 4.32Å; I82-I151 HydrophobicContact CG2-CD1 4.25Å; I82-F174 HydrophobicContact CG2-CB 4.47Å; I82-F174 HydrophobicContact CG2-CD1 3.76Å; I82-F174 HydrophobicContact CG2-CE1 4.26Å; I82-F174 HydrophobicContact CG2-CG 4.13Å; I82-K179 HydrophobicContact CG1-CG 4.48Å |
| 83 | L | 92.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.2 | -22.6 | -176.4 | -66.9 | 172.1 | 0 | 0 | 0 | 113.6 | E79 I80 K87 I91 L92 L94 L108 F174 | E79-L83 HydrophobicContact CG-CD1 3.7Å; E79-L83 HydrophobicContact CG-CG 4.46Å; E79-L83 WeakPolarHBondContact O-CB 3.4Å; E79-L83 VanDerWaalsContact O-CG 3.3Å; E79-L83 WeakPolarHBondContact O-CG 3.45Å; E79-L83 PolarHBondContact O-N 3.18Å; I80-L83 PolarHBondContact O-N 3.33Å; L83-K87 WeakPolarHBondContact O-CE 3.33Å; L83-K87 PolarHBondContact O-NZ 2.94Å; L83-I91 HydrophobicContact CD2-CG2 4.35Å; L83-L92 HydrophobicContact CD2-CB 4.49Å; L83-L92 VanDerWaalsContact CD2-O 3.25Å; L83-L92 WeakPolarHBondContact CD2-O 3.34Å; L83-L94 HydrophobicContact CB-CB 3.61Å; L83-L94 HydrophobicContact CB-CD2 4.15Å; L83-L94 HydrophobicContact CD1-CB 4.47Å; L83-L108 HydrophobicContact CD1-CD2 3.78Å; L83-F174 HydrophobicContact CD1-CD2 4.38Å; L83-F174 HydrophobicContact CD2-CD2 3.49Å; L83-F174 VanDerWaalsContact CD2-CD2 3.49Å; L83-F174 HydrophobicContact CD2-CE2 3.59Å; L83-F174 HydrophobicContact CD2-CG 4.38Å; L83-F174 HydrophobicContact CG-CD2 3.98Å |
| 84 | T | 92.7 | Very high | 90.3 | Very high | 35 Ų | 35 | 41.9 Ų | 41.9 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -74.8 | -50.8 | 173.8 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | T23 I80 D81 I82 K87 L94 | T23-T84 HydrophobicContact CG2-CG2 4.01Å; T23-T84 WeakPolarHBondContact CG2-OG1 3.42Å; I80-T84 WeakPolarHBondContact O-CB 3.27Å; I80-T84 PolarHBondContact O-N 3.01Å; I80-T84 PolarHBondContact O-OG1 2.85Å; D81-T84 PolarHBondContact O-N 3.47Å; I82-T84 PolarHBondContact O-N 3.23Å; T84-K87 WeakPolarHBondContact O-CE 3.47Å; T84-L94 WeakPolarHBondContact OG1-CD2 3.24Å |
| 85 | N | 90.8 | Very high | 91.2 | Very high | 92 Ų | 92 | 38.4 Ų | 38.4 | 49% | 0.492 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -92.3 | -20.6 | -165.5 | -69.8 | -53.5 | 0 | 0 | 0 | 114.5 | D81 I82 | D81-N85 WeakPolarHBondContact O-CB 3.33Å; D81-N85 PolarHBondContact O-N 2.78Å; D81-N85 PolarHBondContact O-ND2 3.01Å; D81-N85 PolarHBondContact OD1-ND2 2.93Å; I82-N85 PolarHBondContact O-N 2.94Å |
| 86 | F | 91.5 | Very high | 92.3 | Very high | 41 Ų | 41 | 34.6 Ų | 34.6 | 18% | 0.18 | 17% | 0.169 | C | C | . | . | trans | -118.9 | 82.7 | -174.9 | -54.7 | -77.6 | 0 | 0 | 0 | 111.5 | I82 F145 K149 I151 | I82-F86 HydrophobicContact CG2-CD2 4.42Å; I82-F86 WeakPolarHBondContact O-CD2 3.33Å; I82-F86 PolarHBondContact O-N 3.37Å; F86-F145 HydrophobicContact CB-CE1 3.71Å; F86-F145 HydrophobicContact CB-CZ 3.91Å; F86-K149 HydrophobicContact CD1-CB 3.88Å; F86-K149 HydrophobicContact CD1-CD 4.3Å; F86-K149 HydrophobicContact CD1-CG 3.74Å; F86-K149 HydrophobicContact CE1-CB 3.74Å; F86-K149 HydrophobicContact CE1-CD 4.22Å; F86-K149 HydrophobicContact CE1-CG 3.93Å; F86-I151 HydrophobicContact CB-CD1 4.49Å; F86-I151 HydrophobicContact CD1-CD1 4.28Å; F86-I151 HydrophobicContact CD2-CD1 3.56Å; F86-I151 HydrophobicContact CE1-CD1 4.42Å; F86-I151 HydrophobicContact CE2-CD1 3.77Å; F86-I151 HydrophobicContact CG-CD1 3.84Å; F86-I151 HydrophobicContact CZ-CD1 4.18Å | ||
| 87 | K | 93.8 | Very high | 92.9 | Very high | 103 Ų | 103 | 33.3 Ų | 33.3 | 45% | 0.448 | 16% | 0.164 | S | C | . | . | trans | -87 | 125.6 | 177.2 | -55.6 | -58.9 | -170 | -179.1 | 0 | 111 | L83 T84 T93 L94 | L83-K87 WeakPolarHBondContact O-CE 3.33Å; L83-K87 PolarHBondContact O-NZ 2.94Å; T84-K87 WeakPolarHBondContact O-CE 3.47Å; K87-T93 HydrophobicContact CD-CG2 4.48Å; K87-L94 PolarHBondContact NZ-O 2.82Å | ||
| 88 | H | 97.8 | Very high | 93.3 | Very high | 53 Ų | 53 | 32.3 Ų | 32.3 | 25% | 0.245 | 16% | 0.159 | C | C | . | . | trans | -151.6 | 151.5 | 174.5 | 173.9 | -108.6 | 0 | 0 | 0 | 109.8 | N90 I91 Q141 F145 | H88-N90 PolarHBondContact CE1-OD1 3.17Å; H88-N90 PolarHBondContact ND1-N 2.97Å; H88-N90 PolarHBondContact O-N 3.49Å; H88-N90 VanDerWaalsContact O-N 3.13Å; H88-I91 HydrophobicContact CB-CB 4.33Å; H88-I91 HydrophobicContact CB-CG1 3.88Å; H88-I91 PolarHBondContact O-N 2.89Å; H88-Q141 PolarHBondContact CE1-O 3.46Å; H88-F145 HydrophobicContact CB-CB 4.47Å; H88-F145 HydrophobicContact CB-CD1 3.41Å; H88-F145 VanDerWaalsContact CB-CD1 3.41Å; H88-F145 HydrophobicContact CB-CD2 4.1Å; H88-F145 HydrophobicContact CB-CE1 3.45Å; H88-F145 VanDerWaalsContact CB-CE1 3.45Å; H88-F145 HydrophobicContact CB-CE2 4.15Å; H88-F145 HydrophobicContact CB-CG 3.74Å; H88-F145 HydrophobicContact CB-CZ 3.83Å; H88-F145 AromaticContact CG-CD1 3.93Å; H88-F145 AromaticContact CG-CG 3.83Å | ||
| 89 | K | 96.9 | Very high | 93.8 | Very high | 82 Ų | 82 | 30.6 Ų | 30.6 | 36% | 0.357 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -29.3 | -173.8 | 55.2 | 155.1 | -173.6 | 148.4 | 0 | 114.6 | E138 K170 | K89-E138 IonicContact NZ-OE1 2.7Å; K89-E138 PolarHBondContact NZ-OE1 3.03Å; K89-E138 IonicContact NZ-OE2 3.88Å; K89-K170 VanDerWaalsContact O-CE 3.27Å; K89-K170 WeakPolarHBondContact O-CE 3.36Å |
| 90 | N | 98.2 | Very high | 94 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 14.7 | 179.6 | -56.8 | 113.1 | 0 | 0 | 0 | 113.3 | H88 E138 V169 L171 | H88-N90 PolarHBondContact CE1-OD1 3.17Å; H88-N90 PolarHBondContact ND1-N 2.97Å; H88-N90 PolarHBondContact O-N 3.49Å; H88-N90 VanDerWaalsContact O-N 3.13Å; N90-E138 WeakPolarHBondContact CB-O 3.3Å; N90-E138 VanDerWaalsContact CG-O 3.31Å; N90-E138 VanDerWaalsContact ND2-CD 3.31Å; N90-E138 PolarHBondContact ND2-OE2 3.03Å; N90-E138 PolarHBondContact OD1-O 3.38Å; N90-V169 WeakPolarHBondContact CA-O 3.27Å; N90-V169 PolarHBondContact ND2-O 2.93Å; N90-L171 PolarHBondContact O-N 2.92Å |
| 91 | I | 97.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -115.6 | 136.1 | 174 | -59.1 | -60.2 | 0 | 0 | 0 | 107.6 | L83 H88 T93 F145 L146 L171 F174 | L83-I91 HydrophobicContact CD2-CG2 4.35Å; H88-I91 HydrophobicContact CB-CB 4.33Å; H88-I91 HydrophobicContact CB-CG1 3.88Å; H88-I91 PolarHBondContact O-N 2.89Å; I91-T93 PolarHBondContact O-N 3.16Å; I91-F145 HydrophobicContact CG1-CD1 4Å; I91-F145 HydrophobicContact CG1-CE1 4.31Å; I91-L146 HydrophobicContact CD1-CD1 3.74Å; I91-L146 HydrophobicContact CD1-CD2 4Å; I91-L146 HydrophobicContact CD1-CG 3.79Å; I91-L171 HydrophobicContact CD1-CB 4.19Å; I91-L171 HydrophobicContact CD1-CD1 4.17Å; I91-F174 HydrophobicContact CD1-CZ 4.06Å; I91-F174 HydrophobicContact CG2-CE2 4.17Å; I91-F174 HydrophobicContact CG2-CZ 3.81Å |
| 92 | L | 96.3 | Very high | 93.8 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 137.1 | 179.2 | -171.4 | 66.1 | 0 | 0 | 0 | 111.3 | L83 L108 E109 C111 L162 L171 A172 | L83-L92 HydrophobicContact CD2-CB 4.49Å; L83-L92 VanDerWaalsContact CD2-O 3.25Å; L83-L92 WeakPolarHBondContact CD2-O 3.34Å; L92-L108 HydrophobicContact CD2-CB 4.07Å; L92-L108 HydrophobicContact CD2-CD1 3.92Å; L92-L108 HydrophobicContact CD2-CD2 4.33Å; L92-L108 HydrophobicContact CD2-CG 4.33Å; L92-L108 HydrophobicContact CG-CB 4.5Å; L92-E109 HydrophobicContact CD1-CB 3.93Å; L92-E109 HydrophobicContact CD1-CG 4.41Å; L92-C111 VanDerWaalsContact CD1-SG 3.5Å; L92-L162 HydrophobicContact CD1-CD1 4.36Å; L92-L162 HydrophobicContact CD2-CD1 4.43Å; L92-L171 WeakPolarHBondContact CB-O 3.5Å; L92-L171 PolarHBondContact N-O 2.95Å; L92-A172 HydrophobicContact CB-CB 4.43Å; L92-A172 HydrophobicContact CD2-CB 3.91Å |
| 93 | T | 95.8 | Very high | 93.9 | Very high | 43 Ų | 43 | 45 Ų | 45 | 26% | 0.264 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -87.6 | 122.4 | -179.8 | -46 | 0 | 0 | 0 | 0 | 111.5 | K87 I91 L108 E109 | K87-T93 HydrophobicContact CD-CG2 4.48Å; I91-T93 PolarHBondContact O-N 3.16Å; T93-L108 CarbonylContact O-C 3.39Å; T93-E109 VanDerWaalsContact CB-OE2 3.3Å; T93-E109 WeakPolarHBondContact CB-OE2 3.47Å; T93-E109 PolarHBondContact N-OE2 2.84Å; T93-E109 WeakPolarHBondContact O-CB 3.23Å; T93-E109 PolarHBondContact O-N 2.76Å; T93-E109 PolarHBondContact OG1-OE2 3.26Å |
| 94 | L | 95.3 | Very high | 93.9 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 128.2 | 160.8 | 174.4 | 67 | 0 | 0 | 0 | 110.7 | I80 L83 T84 K87 V97 I106 L108 | I80-L94 HydrophobicContact CG2-CD2 4.16Å; L83-L94 HydrophobicContact CB-CB 3.61Å; L83-L94 HydrophobicContact CB-CD2 4.15Å; L83-L94 HydrophobicContact CD1-CB 4.47Å; T84-L94 WeakPolarHBondContact OG1-CD2 3.24Å; K87-L94 PolarHBondContact NZ-O 2.82Å; L94-V97 HydrophobicContact CD1-CG2 3.73Å; L94-V97 HydrophobicContact CD2-CG2 3.81Å; L94-V97 HydrophobicContact CG-CG2 4.22Å; L94-I106 HydrophobicContact CD1-CG2 3.46Å; L94-I106 VanDerWaalsContact CD1-CG2 3.46Å; L94-L108 HydrophobicContact CB-CD2 4.27Å; L94-L108 HydrophobicContact CD1-CD2 3.89Å |
| 95 | H | 95.1 | Very high | 93.9 | Very high | 69 Ų | 69 | 44 Ų | 44 | 32% | 0.319 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -66.6 | 172.8 | -63.3 | -57.8 | 0 | 0 | 0 | 111.4 | Y107 E109 | H95-Y107 WeakPolarHBondContact CA-O 3.49Å; H95-Y107 WeakPolarHBondContact CB-O 3.11Å; H95-Y107 PolarHBondContact N-O 3.48Å; H95-E109 WeakPolarHBondContact NE2-CA 3.28Å |
| 96 | E | 94.8 | Very high | 94.1 | Very high | 46 Ų | 46 | 39.6 Ų | 39.6 | 22% | 0.215 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 150.4 | -169.1 | -68.7 | 173.8 | -176.3 | 0 | 0 | 111 | W34 K53 Y98 Y107 | W34-E96 WeakPolarHBondContact CZ2-OE2 3.25Å; W34-E96 PolarHBondContact NE1-OE2 3.46Å; K53-E96 IonicContact NZ-OE1 3.73Å; K53-E96 PolarHBondContact NZ-OE1 3.49Å; K53-E96 IonicContact NZ-OE2 3.43Å; K53-E96 PolarHBondContact NZ-OE2 3.03Å; K53-E96 VanDerWaalsContact NZ-OE2 3.08Å; E96-Y98 HydrophobicContact CB-CE2 3.82Å; E96-Y98 PolarHBondContact OE2-OH 3.32Å; E96-Y107 HydrophobicContact CB-CD2 4.45Å; E96-Y107 PolarHBondContact N-O 2.93Å; E96-Y107 WeakPolarHBondContact O-CB 3.49Å; E96-Y107 PolarHBondContact O-N 3.44Å |
| 97 | V | 95.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 132.7 | 176.3 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | I24 E25 I80 L94 L104 W105 I106 | I24-V97 HydrophobicContact CB-CG1 4.46Å; I24-V97 HydrophobicContact CD1-CG1 4.42Å; I24-V97 HydrophobicContact CG1-CB 4.16Å; I24-V97 HydrophobicContact CG1-CG1 3.94Å; I24-V97 HydrophobicContact CG2-CG1 4.13Å; E25-V97 PolarHBondContact N-O 3.39Å; I80-V97 HydrophobicContact CD1-CG1 3.83Å; I80-V97 HydrophobicContact CD1-CG2 4.22Å; I80-V97 HydrophobicContact CG1-CG2 4.16Å; I80-V97 HydrophobicContact CG2-CG2 4.1Å; L94-V97 HydrophobicContact CD1-CG2 3.73Å; L94-V97 HydrophobicContact CD2-CG2 3.81Å; L94-V97 HydrophobicContact CG-CG2 4.22Å; V97-L104 HydrophobicContact CG1-CD1 3.63Å; V97-W105 WeakPolarHBondContact CA-O 3.33Å; V97-I106 HydrophobicContact CG2-CG2 4.5Å |
| 98 | Y | 95.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 149.3 | 175.3 | -60.6 | -97.6 | 0 | 0 | 0 | 112.1 | E25 V28 P30 I33 W34 E96 W105 Y107 | E25-Y98 HydrophobicContact CB-CD1 3.56Å; E25-Y98 HydrophobicContact CB-CE1 3.67Å; E25-Y98 HydrophobicContact CB-CG 4.42Å; E25-Y98 HydrophobicContact CG-CE1 4.21Å; E25-Y98 WeakPolarHBondContact O-CA 3.47Å; E25-Y98 VanDerWaalsContact OE2-CE1 3.26Å; E25-Y98 WeakPolarHBondContact OE2-CE1 3.38Å; V28-Y98 HydrophobicContact CB-CD1 4.18Å; V28-Y98 HydrophobicContact CB-CE1 4.17Å; V28-Y98 HydrophobicContact CG1-CD1 4.39Å; V28-Y98 HydrophobicContact CG1-CE1 4.02Å; P30-Y98 HydrophobicContact CB-CD2 4.26Å; P30-Y98 HydrophobicContact CB-CG 4.21Å; P30-Y98 HydrophobicContact CG-CD1 4.25Å; P30-Y98 HydrophobicContact CG-CD2 4.29Å; P30-Y98 HydrophobicContact CG-CG 3.78Å; I33-Y98 HydrophobicContact CD1-CE1 4.18Å; W34-Y98 AromaticContact NE1-CE2 3.97Å; E96-Y98 HydrophobicContact CB-CE2 3.82Å; E96-Y98 PolarHBondContact OE2-OH 3.32Å; Y98-W105 PolarHBondContact N-O 2.92Å; Y98-W105 PolarHBondContact O-N 3.17Å; Y98-Y107 AromaticContact CD2-CD2 3.89Å; Y98-Y107 HydrophobicContact CD2-CD2 3.89Å; Y98-Y107 AromaticContact CD2-CE2 3.64Å; Y98-Y107 HydrophobicContact CD2-CE2 3.64Å; Y98-Y107 HydrophobicContact CE2-CD2 4.07Å; Y98-Y107 AromaticContact CE2-CE2 3.98Å; Y98-Y107 HydrophobicContact CE2-CE2 3.98Å |
| 99 | I | 93.2 | Very high | 94.3 | Very high | 17 Ų | 17 | 32.4 Ų | 32.4 | 9% | 0.087 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 117.8 | 165.3 | -65.9 | 172.3 | 0 | 0 | 0 | 109 | I24 E25 R26 F67 L73 K103 L104 | I24-I99 HydrophobicContact CG2-CB 4.44Å; I24-I99 HydrophobicContact CG2-CD1 3.63Å; I24-I99 HydrophobicContact CG2-CG1 3.71Å; E25-I99 PolarHBondContact O-N 2.72Å; R26-I99 HydrophobicContact CG-CB 4.32Å; F67-I99 HydrophobicContact CE1-CG2 4.13Å; F67-I99 HydrophobicContact CZ-CG2 3.76Å; L73-I99 HydrophobicContact CD1-CD1 4.12Å; L73-I99 HydrophobicContact CD2-CD1 3.55Å; L73-I99 HydrophobicContact CG-CD1 4.49Å; I99-K103 WeakPolarHBondContact CA-O 3.26Å; I99-L104 HydrophobicContact CD1-CD1 4.43Å; I99-L104 HydrophobicContact CG1-CD1 3.87Å |
| 100 | Y | 92.1 | Very high | 94.2 | Very high | 67 Ų | 67 | 30.4 Ų | 30.4 | 26% | 0.263 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 133.8 | -177.5 | -170.2 | -103 | 0 | 0 | 0 | 110.3 | V28 N29 S102 K103 | V28-Y100 WeakPolarHBondContact O-CD2 3.46Å; N29-Y100 HydrophobicContact CB-CD1 4.46Å; N29-Y100 HydrophobicContact CB-CD2 4.33Å; N29-Y100 HydrophobicContact CB-CE1 3.96Å; N29-Y100 HydrophobicContact CB-CE2 3.83Å; N29-Y100 WeakPolarHBondContact OD1-CE1 3.49Å; Y100-S102 PolarHBondContact O-N 3.1Å; Y100-K103 PolarHBondContact N-O 3.06Å; Y100-K103 VanDerWaalsContact N-O 3.1Å; Y100-K103 WeakPolarHBondContact O-CB 3.38Å; Y100-K103 PolarHBondContact O-N 3.18Å |
| 101 | E | 88.7 | Confident | 94.2 | Very high | 134 Ų | 134 | 31 Ų | 31 | 63% | 0.626 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 43.7 | -179.6 | -67.2 | -177.5 | 161.5 | 0 | 0 | 115.5 | K103 | E101-K103 PolarHBondContact O-N 3.05Š|
| 102 | S | 87.5 | Confident | 93.9 | Very high | 77 Ų | 77 | 32.7 Ų | 32.7 | 54% | 0.538 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 31.3 | -175.2 | -52.3 | 0 | 0 | 0 | 0 | 113.9 | F67 Y100 | F67-S102 WeakPolarHBondContact CD1-O 3.23Å; F67-S102 PolarHBondContact N-O 3.39Å; Y100-S102 PolarHBondContact O-N 3.1Å |
| 103 | K | 90.9 | Very high | 93.7 | Very high | 61 Ų | 61 | 32.9 Ų | 32.9 | 27% | 0.265 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138.5 | 176.2 | -55.4 | 179.8 | -177.2 | 168.5 | 0 | 110.4 | R64 V65 D66 I99 Y100 E101 W105 | R64-K103 HydrophobicContact CG-CB 4.48Å; V65-K103 CarbonylContact O-C 3.12Å; V65-K103 VanDerWaalsContact O-CA 3.28Å; V65-K103 WeakPolarHBondContact O-CA 3.41Å; D66-K103 WeakPolarHBondContact OD1-CD 3.32Å; D66-K103 WeakPolarHBondContact OD1-CE 3.35Å; D66-K103 WeakPolarHBondContact OD1-CG 3.42Å; I99-K103 WeakPolarHBondContact CA-O 3.26Å; Y100-K103 PolarHBondContact N-O 3.06Å; Y100-K103 VanDerWaalsContact N-O 3.1Å; Y100-K103 WeakPolarHBondContact O-CB 3.38Å; Y100-K103 PolarHBondContact O-N 3.18Å; E101-K103 PolarHBondContact O-N 3.05Å; K103-W105 VanDerWaalsContact O-CD1 3.28Å |
| 104 | L | 91.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.7 | 171.9 | -178.3 | 63.5 | 0 | 0 | 0 | 108.5 | R64 V65 F67 L73 F76 I80 V97 I99 I106 | R64-L104 WeakPolarHBondContact CA-O 3.42Å; V65-L104 HydrophobicContact CB-CB 4.43Å; V65-L104 PolarHBondContact N-O 3.47Å; V65-L104 PolarHBondContact O-N 3.48Å; F67-L104 HydrophobicContact CD1-CB 4.2Å; F67-L104 HydrophobicContact CE1-CB 4.23Å; L73-L104 HydrophobicContact CD1-CD1 4.09Å; L73-L104 HydrophobicContact CD1-CD2 3.94Å; L73-L104 HydrophobicContact CD1-CG 4.41Å; F76-L104 HydrophobicContact CB-CD2 3.51Å; F76-L104 HydrophobicContact CD1-CD2 4.34Å; F76-L104 HydrophobicContact CD2-CD2 4.28Å; F76-L104 HydrophobicContact CG-CD2 3.78Å; I80-L104 HydrophobicContact CD1-CD1 4.08Å; I80-L104 HydrophobicContact CD1-CD2 4.05Å; V97-L104 HydrophobicContact CG1-CD1 3.63Å; I99-L104 HydrophobicContact CD1-CD1 4.43Å; I99-L104 HydrophobicContact CG1-CD1 3.87Å; L104-I106 HydrophobicContact CD1-CG1 4.46Å; L104-I106 HydrophobicContact CD2-CD1 3.87Å; L104-I106 HydrophobicContact CD2-CG1 4.13Å; L104-I106 HydrophobicContact CG-CD1 4.19Å; L104-I106 HydrophobicContact CG-CG1 3.86Å |
| 105 | W | 93.8 | Very high | 93.6 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 6% | 0.057 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 106.3 | -178.5 | -59.6 | 71.1 | 0 | 0 | 0 | 108.4 | P30 T31 I36 L62 R64 V97 Y98 K103 Y107 | P30-W105 HydrophobicContact CB-CD2 4.12Å; P30-W105 HydrophobicContact CB-CE3 4.06Å; P30-W105 HydrophobicContact CB-CG 4.38Å; P30-W105 HydrophobicContact CG-CB 4.3Å; P30-W105 HydrophobicContact CG-CD2 3.88Å; P30-W105 HydrophobicContact CG-CE3 4.33Å; P30-W105 HydrophobicContact CG-CG 3.84Å; T31-W105 HydrophobicContact CG2-CH2 4.12Å; T31-W105 HydrophobicContact CG2-CZ3 4.41Å; I36-W105 HydrophobicContact CD1-CZ3 4.12Å; L62-W105 HydrophobicContact CD1-CB 3.86Å; L62-W105 HydrophobicContact CD1-CD2 4.36Å; L62-W105 HydrophobicContact CD1-CE3 3.74Å; L62-W105 HydrophobicContact CD1-CG 4.46Å; L62-W105 HydrophobicContact CD2-CE3 3.47Å; L62-W105 VanDerWaalsContact CD2-CE3 3.47Å; L62-W105 HydrophobicContact CD2-CZ3 3.6Å; L62-W105 HydrophobicContact CG-CE3 4.23Å; R64-W105 HydrophobicContact CG-CD2 4.09Å; R64-W105 HydrophobicContact CG-CE3 4.37Å; R64-W105 HydrophobicContact CG-CG 4.49Å; R64-W105 HydrophobicContact CG-CZ2 4.48Å; V97-W105 WeakPolarHBondContact CA-O 3.33Å; Y98-W105 PolarHBondContact N-O 2.92Å; Y98-W105 PolarHBondContact O-N 3.17Å; K103-W105 VanDerWaalsContact O-CD1 3.28Å; W105-Y107 HydrophobicContact CB-CE2 3.99Å |
| 106 | I | 93.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 110.5 | -177.7 | -47.6 | -179.3 | 0 | 0 | 0 | 108.3 | L62 K63 I80 L94 V97 L104 L108 | L62-I106 WeakPolarHBondContact CA-O 3.41Å; K63-I106 HydrophobicContact CB-CB 4.31Å; K63-I106 HydrophobicContact CD-CD1 4.47Å; K63-I106 PolarHBondContact N-O 3.15Å; K63-I106 PolarHBondContact O-N 3.2Å; I80-I106 HydrophobicContact CD1-CD1 4.02Å; I80-I106 HydrophobicContact CD1-CG1 4.29Å; I80-I106 HydrophobicContact CG1-CD1 4.19Å; L94-I106 HydrophobicContact CD1-CG2 3.46Å; L94-I106 VanDerWaalsContact CD1-CG2 3.46Å; V97-I106 HydrophobicContact CG2-CG2 4.5Å; L104-I106 HydrophobicContact CD1-CG1 4.46Å; L104-I106 HydrophobicContact CD2-CD1 3.87Å; L104-I106 HydrophobicContact CD2-CG1 4.13Å; L104-I106 HydrophobicContact CG-CD1 4.19Å; L104-I106 HydrophobicContact CG-CG1 3.86Å; I106-L108 HydrophobicContact CG2-CD2 3.75Å; I106-L108 HydrophobicContact CG2-CG 3.96Å |
| 107 | Y | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 104.1 | 177.7 | -68.4 | -87.9 | 0 | 0 | 0 | 109.9 | P30 W34 T51 A60 L62 H95 E96 Y98 W105 | P30-Y107 HydrophobicContact CB-CE2 4.15Å; P30-Y107 WeakPolarHBondContact CB-OH 3.32Å; W34-Y107 HydrophobicContact CB-CE1 3.58Å; W34-Y107 WeakPolarHBondContact CB-OH 3.27Å; W34-Y107 AromaticContact CD1-CE1 3.89Å; W34-Y107 AromaticContact CD1-CE2 3.91Å; W34-Y107 AromaticContact CD1-CZ 3.65Å; W34-Y107 AromaticContact CD2-CD1 3.54Å; W34-Y107 HydrophobicContact CD2-CD1 3.54Å; W34-Y107 AromaticContact CD2-CE1 3.45Å; W34-Y107 HydrophobicContact CD2-CE1 3.45Å; W34-Y107 VanDerWaalsContact CD2-CE1 3.45Å; W34-Y107 HydrophobicContact CD2-CG 4.18Å; W34-Y107 AromaticContact CE2-CD1 3.75Å; W34-Y107 AromaticContact CE2-CG 3.92Å; W34-Y107 AromaticContact CE3-CD1 3.71Å; W34-Y107 HydrophobicContact CE3-CD1 3.71Å; W34-Y107 AromaticContact CE3-CE1 3.8Å; W34-Y107 HydrophobicContact CE3-CE1 3.8Å; W34-Y107 AromaticContact CG-CD1 3.96Å; W34-Y107 HydrophobicContact CG-CD1 3.96Å; W34-Y107 AromaticContact CG-CE1 3.37Å; W34-Y107 HydrophobicContact CG-CE1 3.37Å; W34-Y107 HydrophobicContact CG-CE2 4.22Å; W34-Y107 AromaticContact CG-CZ 3.53Å; W34-Y107 HydrophobicContact CH2-CD1 4.24Å; W34-Y107 HydrophobicContact CZ2-CD1 4.1Å; W34-Y107 HydrophobicContact CZ2-CG 4.11Å; W34-Y107 HydrophobicContact CZ3-CD1 4.07Å; T51-Y107 HydrophobicContact CG2-CE1 4.03Å; T51-Y107 WeakPolarHBondContact OG1-CD1 3.38Å; T51-Y107 WeakPolarHBondContact OG1-CE1 3.25Å; A60-Y107 HydrophobicContact CB-CD1 4.21Å; L62-Y107 HydrophobicContact CB-CD1 4.18Å; L62-Y107 HydrophobicContact CB-CE1 4.02Å; L62-Y107 HydrophobicContact CD1-CD1 4.4Å; L62-Y107 HydrophobicContact CD1-CD2 4.45Å; L62-Y107 HydrophobicContact CD1-CE1 4.06Å; L62-Y107 HydrophobicContact CD1-CE2 4.1Å; L62-Y107 HydrophobicContact CD2-CE1 4.33Å; L62-Y107 HydrophobicContact CG-CE1 4.35Å; H95-Y107 WeakPolarHBondContact CA-O 3.49Å; H95-Y107 WeakPolarHBondContact CB-O 3.11Å; H95-Y107 PolarHBondContact N-O 3.48Å; E96-Y107 HydrophobicContact CB-CD2 4.45Å; E96-Y107 PolarHBondContact N-O 2.93Å; E96-Y107 WeakPolarHBondContact O-CB 3.49Å; E96-Y107 PolarHBondContact O-N 3.44Å; Y98-Y107 AromaticContact CD2-CD2 3.89Å; Y98-Y107 HydrophobicContact CD2-CD2 3.89Å; Y98-Y107 AromaticContact CD2-CE2 3.64Å; Y98-Y107 HydrophobicContact CD2-CE2 3.64Å; Y98-Y107 HydrophobicContact CE2-CD2 4.07Å; Y98-Y107 AromaticContact CE2-CE2 3.98Å; Y98-Y107 HydrophobicContact CE2-CE2 3.98Å; W105-Y107 HydrophobicContact CB-CE2 3.99Å |
| 108 | L | 95.7 | Very high | 93.6 | Very high | 15 Ų | 15 | 33.1 Ų | 33.1 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 161.5 | -179.1 | -58.6 | 170.1 | 0 | 0 | 0 | 110.9 | A60 A61 K63 L83 L92 T93 L94 I106 | A60-L108 CarbonylContact C-O 3.59Å; A60-L108 VanDerWaalsContact CA-O 3.26Å; A60-L108 WeakPolarHBondContact CA-O 3.45Å; A60-L108 VanDerWaalsContact CB-O 3.23Å; A60-L108 WeakPolarHBondContact CB-O 3.25Å; A61-L108 PolarHBondContact N-O 3.11Å; A61-L108 WeakPolarHBondContact O-CB 3.44Å; A61-L108 PolarHBondContact O-N 3.47Å; K63-L108 HydrophobicContact CB-CD1 4.33Å; L83-L108 HydrophobicContact CD1-CD2 3.78Å; L92-L108 HydrophobicContact CD2-CB 4.07Å; L92-L108 HydrophobicContact CD2-CD1 3.92Å; L92-L108 HydrophobicContact CD2-CD2 4.33Å; L92-L108 HydrophobicContact CD2-CG 4.33Å; L92-L108 HydrophobicContact CG-CB 4.5Å; T93-L108 CarbonylContact O-C 3.39Å; L94-L108 HydrophobicContact CB-CD2 4.27Å; L94-L108 HydrophobicContact CD1-CD2 3.89Å; I106-L108 HydrophobicContact CG2-CD2 3.75Å; I106-L108 HydrophobicContact CG2-CG 3.96Å |
| 109 | E | 96.2 | Very high | 93.5 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 15% | 0.15 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 135.7 | 171 | 170.6 | 174.6 | -168.9 | 0 | 0 | 112.2 | L92 T93 H95 C111 K170 | L92-E109 HydrophobicContact CD1-CB 3.93Å; L92-E109 HydrophobicContact CD1-CG 4.41Å; T93-E109 VanDerWaalsContact CB-OE2 3.3Å; T93-E109 WeakPolarHBondContact CB-OE2 3.47Å; T93-E109 PolarHBondContact N-OE2 2.84Å; T93-E109 WeakPolarHBondContact O-CB 3.23Å; T93-E109 PolarHBondContact O-N 2.76Å; T93-E109 PolarHBondContact OG1-OE2 3.26Å; H95-E109 WeakPolarHBondContact NE2-CA 3.28Å; E109-C111 PolarHBondContact O-N 2.84Å; E109-C111 VanDerWaalsContact O-N 3.14Å; E109-K170 VanDerWaalsContact CD-NZ 3.27Å; E109-K170 WeakPolarHBondContact OE1-CE 3.4Å; E109-K170 IonicContact OE1-NZ 3.5Å; E109-K170 PolarHBondContact OE1-NZ 3.4Å; E109-K170 WeakPolarHBondContact OE2-CD 3.39Å; E109-K170 IonicContact OE2-NZ 3.64Å; E109-K170 PolarHBondContact OE2-NZ 2.59Å; E109-K170 VanDerWaalsContact OE2-NZ 3.14Å |
| 110 | L | 96.4 | Very high | 93.6 | Very high | 39 Ų | 39 | 32.5 Ų | 32.5 | 20% | 0.204 | 19% | 0.192 | C | C | . | . | trans | -82 | 92.4 | 179.1 | -175.7 | 62.9 | 0 | 0 | 0 | 111.6 | L40 K50 F59 A61 G112 | L40-L110 HydrophobicContact CD1-CD1 3.72Å; K50-L110 HydrophobicContact CD-CD2 4.1Å; K50-L110 HydrophobicContact CG-CD2 4.04Å; F59-L110 HydrophobicContact CB-CD2 3.76Å; A61-L110 HydrophobicContact CB-CD1 4.19Å; L110-G112 PolarHBondContact O-N 3.45Å | ||
| 111 | C | 96.3 | Very high | 93.5 | Very high | 14 Ų | 14 | 34.9 Ų | 34.9 | 10% | 0.095 | 21% | 0.205 | C | C | . | . | trans | -70.7 | 75.9 | 166.7 | -67.3 | 0 | 0 | 0 | 0 | 111.4 | L92 E109 G113 G114 L162 L163 | L92-C111 VanDerWaalsContact CD1-SG 3.5Å; E109-C111 PolarHBondContact O-N 2.84Å; E109-C111 VanDerWaalsContact O-N 3.14Å; C111-G113 PolarHBondContact O-N 3.32Å; C111-G113 VanDerWaalsContact O-N 3.08Å; C111-G114 PolarHBondContact O-N 2.97Å; C111-L162 HydrophobicContact CB-CB 3.56Å; C111-L162 HydrophobicContact CB-CD1 3.98Å; C111-L162 HydrophobicContact CB-CG 4.4Å; C111-L163 CarbonylContact C-O 3.57Å; C111-L163 WeakPolarHBondContact CA-O 3.46Å; C111-L163 WeakPolarHBondContact CB-O 3.46Å | ||
| 112 | G | 91.3 | Very high | 93.3 | Very high | 37 Ų | 37 | 31.4 Ų | 31.4 | 38% | 0.381 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -6.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | L110 | L110-G112 PolarHBondContact O-N 3.45Š|
| 113 | G | 92.4 | Very high | 93.3 | Very high | 12 Ų | 12 | 27.9 Ų | 27.9 | 12% | 0.124 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -16.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C111 I119 L163 | C111-G113 PolarHBondContact O-N 3.32Å; C111-G113 VanDerWaalsContact O-N 3.08Å; G113-I119 WeakPolarHBondContact O-CD1 3.49Å; G113-L163 VanDerWaalsContact CA-O 3.28Å; G113-L163 WeakPolarHBondContact CA-O 3.38Å; G113-L163 PolarHBondContact N-O 2.73Å |
| 114 | G | 93.8 | Very high | 93 | Very high | 29 Ų | 29 | 28.8 Ų | 28.8 | 30% | 0.299 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 81.9 | -172.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | C111 L162 L163 | C111-G114 PolarHBondContact O-N 2.97Å; G114-L162 WeakPolarHBondContact O-CA 3.3Å; G114-L163 PolarHBondContact O-N 3.31Å |
| 115 | A | 95.2 | Very high | 92.8 | Very high | 12 Ų | 12 | 30.5 Ų | 30.5 | 10% | 0.099 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 151.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D117 S118 I119 G159 I161 L162 | A115-D117 VanDerWaalsContact C-N 3.33Å; A115-D117 WeakPolarHBondContact CB-OD1 3.31Å; A115-D117 PolarHBondContact O-N 2.97Å; A115-S118 WeakPolarHBondContact O-CB 3.43Å; A115-S118 PolarHBondContact O-N 3.16Å; A115-I119 WeakPolarHBondContact O-CG1 3.3Å; A115-I119 PolarHBondContact O-N 3.18Å; A115-I119 VanDerWaalsContact O-N 3.11Å; A115-G159 WeakPolarHBondContact CB-O 3.37Å; A115-I161 WeakPolarHBondContact CA-O 3.28Å; A115-L162 HydrophobicContact CB-CD2 3.62Å |
| 116 | L | 98 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.8 | -33.4 | -176.5 | -69.6 | -177.8 | 0 | 0 | 0 | 113.4 | S118 I119 M120 L127 V135 A158 I161 L163 L228 L306 | L116-S118 VanDerWaalsContact C-N 3.34Å; L116-I119 HydrophobicContact CD2-CD1 4.24Å; L116-I119 PolarHBondContact O-N 3.05Å; L116-M120 WeakPolarHBondContact O-CG 3.31Å; L116-M120 PolarHBondContact O-N 3.48Å; L116-L127 HydrophobicContact CD1-CD1 4.25Å; L116-L127 HydrophobicContact CD2-CD1 4.23Å; L116-V135 HydrophobicContact CD1-CG1 3.69Å; L116-V135 HydrophobicContact CD1-CG2 4.02Å; L116-A158 HydrophobicContact CB-CB 4.18Å; L116-A158 PolarHBondContact N-O 3.41Å; L116-I161 HydrophobicContact CD1-CB 3.89Å; L116-I161 HydrophobicContact CD1-CD1 4.39Å; L116-I161 HydrophobicContact CD1-CG2 3.51Å; L116-I161 HydrophobicContact CG-CB 4.23Å; L116-I161 HydrophobicContact CG-CG2 4.03Å; L116-I161 PolarHBondContact N-O 3.01Å; L116-I161 VanDerWaalsContact N-O 3.07Å; L116-L163 HydrophobicContact CD2-CD1 3.71Å; L116-L163 HydrophobicContact CD2-CD2 4.15Å; L116-L163 HydrophobicContact CD2-CG 3.85Å; L116-L228 HydrophobicContact CB-CD2 3.93Å; L116-L228 HydrophobicContact CD1-CD1 4.34Å; L116-L228 HydrophobicContact CD1-CD2 3.74Å; L116-L228 HydrophobicContact CG-CD2 4.48Å; L116-L306 HydrophobicContact CD2-CD2 4.42Å |
| 117 | D | 95.3 | Very high | 92.8 | Very high | 62 Ų | 62 | 30.7 Ų | 30.7 | 33% | 0.332 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 174.9 | 65.8 | -13.7 | 0 | 0 | 0 | 112.1 | A115 M120 E121 A158 G159 | A115-D117 VanDerWaalsContact C-N 3.33Å; A115-D117 WeakPolarHBondContact CB-OD1 3.31Å; A115-D117 PolarHBondContact O-N 2.97Å; D117-M120 PolarHBondContact O-N 2.7Å; D117-E121 PolarHBondContact O-N 3.23Å; D117-A158 HydrophobicContact CB-CB 4.26Å; D117-G159 VanDerWaalsContact OD2-CA 3.31Å; D117-G159 WeakPolarHBondContact OD2-CA 3.29Å |
| 118 | S | 92.7 | Very high | 92.7 | Very high | 70 Ų | 70 | 31.3 Ų | 31.3 | 49% | 0.49 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69.4 | -35.6 | -178.7 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | A115 L116 A122 | A115-S118 WeakPolarHBondContact O-CB 3.43Å; A115-S118 PolarHBondContact O-N 3.16Å; L116-S118 VanDerWaalsContact C-N 3.34Å; S118-A122 VanDerWaalsContact O-CB 3.25Å; S118-A122 WeakPolarHBondContact O-CB 3.37Å; S118-A122 PolarHBondContact O-N 3.02Å |
| 119 | I | 94.1 | Very high | 92.8 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67 | -45.9 | 171.7 | -66.8 | 165.9 | 0 | 0 | 0 | 110.9 | G113 A115 L116 E121 A122 L123 L163 L306 L307 V310 | G113-I119 WeakPolarHBondContact O-CD1 3.49Å; A115-I119 WeakPolarHBondContact O-CG1 3.3Å; A115-I119 PolarHBondContact O-N 3.18Å; A115-I119 VanDerWaalsContact O-N 3.11Å; L116-I119 HydrophobicContact CD2-CD1 4.24Å; L116-I119 PolarHBondContact O-N 3.05Å; I119-E121 VanDerWaalsContact C-N 3.31Å; I119-E121 PolarHBondContact O-N 3.38Å; I119-A122 PolarHBondContact O-N 3.35Å; I119-L123 HydrophobicContact CG2-CD1 3.76Å; I119-L123 HydrophobicContact CG2-CG 4.33Å; I119-L123 WeakPolarHBondContact O-CB 3.2Å; I119-L123 WeakPolarHBondContact O-CG 3.47Å; I119-L123 PolarHBondContact O-N 3.48Å; I119-L163 HydrophobicContact CD1-CD1 3.61Å; I119-L163 HydrophobicContact CD1-CG 4.3Å; I119-L306 HydrophobicContact CG2-CD1 3.8Å; I119-L306 HydrophobicContact CG2-CD2 4.25Å; I119-L306 HydrophobicContact CG2-CG 3.98Å; I119-L307 HydrophobicContact CD1-CD2 4.29Å; I119-V310 HydrophobicContact CG2-CB 4.43Å; I119-V310 HydrophobicContact CG2-CG2 4.42Å |
| 120 | M | 94.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.8 | -36.8 | 177.5 | -73.6 | -171.9 | -63.8 | 0 | 0 | 112.3 | L116 D117 E124 K125 L127 A158 L228 K231 | L116-M120 WeakPolarHBondContact O-CG 3.31Å; L116-M120 PolarHBondContact O-N 3.48Å; D117-M120 PolarHBondContact O-N 2.7Å; M120-E124 CarbonylContact O-C 3.49Å; M120-E124 WeakPolarHBondContact O-CA 3.47Å; M120-E124 PolarHBondContact O-N 2.85Å; M120-K125 WeakPolarHBondContact CA-O 3.48Å; M120-K125 WeakPolarHBondContact CB-O 3.36Å; M120-K125 PolarHBondContact O-N 3.44Å; M120-K125 VanDerWaalsContact O-N 3.12Å; M120-L127 HydrophobicContact CG-CD2 3.98Å; M120-L127 HydrophobicContact CG-CG 4.12Å; M120-L127 HydrophobicContact SD-CG 4.09Å; M120-A158 HydrophobicContact CE-CB 4.1Å; M120-L228 HydrophobicContact CE-CD2 3.94Å; M120-L228 HydrophobicContact SD-CD2 4.34Å; M120-K231 HydrophobicContact CB-CG 4.34Å; M120-K231 VanDerWaalsContact O-CE 3.31Å; M120-K231 WeakPolarHBondContact O-CE 3.37Å |
| 121 | E | 89 | Confident | 92.8 | Very high | 116 Ų | 116 | 29.9 Ų | 29.9 | 54% | 0.542 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -71.3 | -44.3 | 175.4 | -170.6 | 63.2 | -179 | 0 | 0 | 111.9 | D117 I119 L123 E124 K231 | D117-E121 PolarHBondContact O-N 3.23Å; I119-E121 VanDerWaalsContact C-N 3.31Å; I119-E121 PolarHBondContact O-N 3.38Å; E121-L123 PolarHBondContact O-N 2.72Å; E121-E124 WeakPolarHBondContact O-CA 3.4Å; E121-E124 PolarHBondContact O-N 3.24Å; E121-K231 IonicContact OE2-NZ 3.3Å; E121-K231 PolarHBondContact OE2-NZ 2.85Å |
| 122 | A | 85.9 | Confident | 92.9 | Very high | 61 Ų | 61 | 29.2 Ų | 29.2 | 50% | 0.504 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.8 | -35.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S118 I119 E124 V310 | S118-A122 VanDerWaalsContact O-CB 3.25Å; S118-A122 WeakPolarHBondContact O-CB 3.37Å; S118-A122 PolarHBondContact O-N 3.02Å; I119-A122 PolarHBondContact O-N 3.35Å; A122-E124 VanDerWaalsContact C-N 3.29Å; A122-V310 HydrophobicContact CB-CG2 3.93Å |
| 123 | L | 86.2 | Confident | 93.2 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -79.8 | -14.1 | 173.4 | -67 | 177.6 | 0 | 0 | 0 | 113 | I119 E121 K125 L306 E309 V310 R489 | I119-L123 HydrophobicContact CG2-CD1 3.76Å; I119-L123 HydrophobicContact CG2-CG 4.33Å; I119-L123 WeakPolarHBondContact O-CB 3.2Å; I119-L123 WeakPolarHBondContact O-CG 3.47Å; I119-L123 PolarHBondContact O-N 3.48Å; E121-L123 PolarHBondContact O-N 2.72Å; L123-K125 HydrophobicContact CB-CG 3.88Å; L123-K125 PolarHBondContact O-N 3.48Å; L123-L306 HydrophobicContact CD1-CD1 3.58Å; L123-E309 HydrophobicContact CD2-CB 4.41Å; L123-E309 HydrophobicContact CD2-CG 3.83Å; L123-V310 HydrophobicContact CD1-CB 4.46Å; L123-V310 HydrophobicContact CD2-CB 4.09Å; L123-V310 HydrophobicContact CD2-CG2 4.36Å; L123-V310 HydrophobicContact CG-CB 4.22Å; L123-V310 HydrophobicContact CG-CG2 4.25Å; L123-R489 PolarHBondContact O-NH2 2.8Å |
| 124 | E | 85.5 | Confident | 93.5 | Very high | 79 Ų | 79 | 29.9 Ų | 29.9 | 37% | 0.369 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 61.9 | 8.7 | -170.4 | -67.2 | 178.5 | -156.4 | 0 | 0 | 115.4 | M120 E121 A122 K231 R487 | M120-E124 CarbonylContact O-C 3.49Å; M120-E124 WeakPolarHBondContact O-CA 3.47Å; M120-E124 PolarHBondContact O-N 2.85Å; E121-E124 WeakPolarHBondContact O-CA 3.4Å; E121-E124 PolarHBondContact O-N 3.24Å; A122-E124 VanDerWaalsContact C-N 3.29Å; E124-K231 VanDerWaalsContact C-NZ 3.26Å; E124-K231 WeakPolarHBondContact O-CE 3.25Å; E124-K231 PolarHBondContact O-NZ 3.35Å; E124-R487 IonicContact OE1-CZ 2.67Å; E124-R487 IonicContact OE1-NH1 2.67Å; E124-R487 PolarHBondContact OE1-NH1 2.84Å; E124-R487 IonicContact OE1-NH2 2.67Å; E124-R487 PolarHBondContact OE1-NH2 2.91Å; E124-R487 IonicContact OE2-CZ 3.64Å; E124-R487 IonicContact OE2-NH1 3.48Å; E124-R487 PolarHBondContact OE2-NH1 3.1Å; E124-R487 IonicContact OE2-NH2 3.42Å |
| 125 | K | 87.2 | Confident | 93.7 | Very high | 36 Ų | 36 | 28.6 Ų | 28.6 | 16% | 0.157 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -129.6 | 158.8 | -173.6 | 69.2 | 176.7 | -170.9 | -176.4 | 0 | 113.3 | M120 L123 E309 M352 | M120-K125 WeakPolarHBondContact CA-O 3.48Å; M120-K125 WeakPolarHBondContact CB-O 3.36Å; M120-K125 PolarHBondContact O-N 3.44Å; M120-K125 VanDerWaalsContact O-N 3.12Å; L123-K125 HydrophobicContact CB-CG 3.88Å; L123-K125 PolarHBondContact O-N 3.48Å; K125-E309 WeakPolarHBondContact CE-OE2 3.24Å; K125-E309 IonicContact NZ-OE1 3.99Å; K125-E309 PolarHBondContact NZ-OE1 3.2Å; K125-E309 IonicContact NZ-OE2 2.6Å; K125-E309 PolarHBondContact NZ-OE2 3.49Å; K125-M352 HydrophobicContact CD-CE 4.31Å |
| 126 | P | 92.9 | Very high | 93.9 | Very high | 15 Ų | 15 | 28 Ų | 28 | 10% | 0.097 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 171.5 | 169.7 | 30.4 | -36.1 | 0 | 0 | 0 | 112.3 | L228 A229 K231 | P126-L228 WeakPolarHBondContact CB-O 3.26Å; P126-A229 VanDerWaalsContact CB-C 3.5Å; P126-A229 VanDerWaalsContact CB-O 3.27Å; P126-A229 WeakPolarHBondContact CB-O 3.49Å; P126-K231 HydrophobicContact CB-CG 4.02Å |
| 127 | L | 95.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 153.8 | 170.5 | -61.8 | -166.6 | 0 | 0 | 0 | 111.7 | L116 M120 Q131 I132 L228 L306 | L116-L127 HydrophobicContact CD1-CD1 4.25Å; L116-L127 HydrophobicContact CD2-CD1 4.23Å; M120-L127 HydrophobicContact CG-CD2 3.98Å; M120-L127 HydrophobicContact CG-CG 4.12Å; M120-L127 HydrophobicContact SD-CG 4.09Å; L127-Q131 HydrophobicContact CB-CB 4.16Å; L127-Q131 HydrophobicContact CD1-CB 4.45Å; L127-I132 HydrophobicContact CB-CD1 4.28Å; L127-I132 HydrophobicContact CB-CG1 3.72Å; L127-L228 HydrophobicContact CD1-CB 4.4Å; L127-L228 HydrophobicContact CD1-CD1 4.43Å; L127-L228 HydrophobicContact CD1-CD2 3.85Å; L127-L228 HydrophobicContact CD1-CG 4.44Å; L127-L228 HydrophobicContact CG-CD2 4.39Å; L127-L228 PolarHBondContact N-O 3.46Å; L127-L306 HydrophobicContact CD2-CD1 3.91Å; L127-L306 HydrophobicContact CD2-CD2 3.79Å |
| 128 | T | 94 | Very high | 94.1 | Very high | 13 Ų | 13 | 26.4 Ų | 26.4 | 8% | 0.08 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -79.7 | 156.8 | 176.8 | 74.1 | 0 | 0 | 0 | 0 | 111.5 | P130 Q131 I132 V350 M352 | T128-P130 VanDerWaalsContact C-N 3.35Å; T128-P130 WeakPolarHBondContact OG1-CD 3.49Å; T128-Q131 WeakPolarHBondContact O-CA 3.33Å; T128-Q131 WeakPolarHBondContact O-CB 3.26Å; T128-Q131 PolarHBondContact O-N 3.15Å; T128-Q131 WeakPolarHBondContact OG1-CG 3.45Å; T128-Q131 PolarHBondContact OG1-N 2.84Å; T128-Q131 PolarHBondContact OG1-OE1 3.28Å; T128-I132 WeakPolarHBondContact O-CG1 3.02Å; T128-I132 PolarHBondContact O-N 3.22Å; T128-V350 HydrophobicContact CG2-CG1 4.46Å; T128-M352 HydrophobicContact CG2-CE 4.01Å; T128-M352 HydrophobicContact CG2-CG 3.69Å; T128-M352 HydrophobicContact CG2-SD 3.32Å; T128-M352 WeakPolarHBondContact CG2-SD 3.49Å |
| 129 | E | 96.5 | Very high | 94.3 | Very high | 22 Ų | 22 | 23.1 Ų | 23.1 | 10% | 0.103 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.2 | -41.3 | 177.9 | -162.6 | -175.2 | 120.8 | 0 | 0 | 113 | Q131 I132 R133 W261 S262 F265 F291 | E129-Q131 VanDerWaalsContact C-N 3.34Å; E129-Q131 PolarHBondContact O-N 3.42Å; E129-I132 PolarHBondContact O-N 3.3Å; E129-R133 WeakPolarHBondContact O-CB 3.41Å; E129-R133 PolarHBondContact O-N 3.03Å; E129-R133 IonicContact OE1-CZ 3.85Å; E129-R133 IonicContact OE1-NH2 2.7Å; E129-R133 PolarHBondContact OE1-NH2 3.09Å; E129-W261 HydrophobicContact CB-CE3 4.15Å; E129-W261 HydrophobicContact CB-CZ3 3.93Å; E129-W261 HydrophobicContact CG-CE3 4.23Å; E129-W261 HydrophobicContact CG-CZ3 4.32Å; E129-S262 VanDerWaalsContact CD-OG 3.23Å; E129-S262 VanDerWaalsContact OE1-CB 3.29Å; E129-S262 WeakPolarHBondContact OE1-CB 3.42Å; E129-S262 PolarHBondContact OE1-OG 2.97Å; E129-S262 VanDerWaalsContact OE2-CB 3.24Å; E129-S262 WeakPolarHBondContact OE2-CB 3.25Å; E129-S262 PolarHBondContact OE2-N 3.22Å; E129-S262 PolarHBondContact OE2-OG 3.22Å; E129-S262 VanDerWaalsContact OE2-OG 3.1Å; E129-F265 HydrophobicContact CG-CB 4.28Å; E129-F265 HydrophobicContact CG-CG 4.46Å; E129-F291 HydrophobicContact CG-CE2 3.74Å; E129-F291 HydrophobicContact CG-CZ 4.1Å; E129-F291 WeakPolarHBondContact OE1-CE2 3.28Å |
| 130 | P | 95.7 | Very high | 94.6 | Very high | 27 Ų | 27 | 22.9 Ų | 22.9 | 18% | 0.175 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.9 | -37.1 | 171.1 | -26.8 | 35.7 | 0 | 0 | 0 | 114.9 | T128 F134 V302 | T128-P130 VanDerWaalsContact C-N 3.35Å; T128-P130 WeakPolarHBondContact OG1-CD 3.49Å; P130-F134 PolarHBondContact O-N 2.88Å; P130-F134 VanDerWaalsContact O-N 3.17Å; P130-V302 HydrophobicContact CB-CG1 4.21Å |
| 131 | Q | 97.3 | Very high | 94.8 | Very high | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.037 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.1 | -47.7 | 176.2 | -71.3 | 165.3 | -11 | 0 | 0 | 111.2 | L127 T128 E129 R133 F134 V135 V302 | L127-Q131 HydrophobicContact CB-CB 4.16Å; L127-Q131 HydrophobicContact CD1-CB 4.45Å; T128-Q131 WeakPolarHBondContact O-CA 3.33Å; T128-Q131 WeakPolarHBondContact O-CB 3.26Å; T128-Q131 PolarHBondContact O-N 3.15Å; T128-Q131 WeakPolarHBondContact OG1-CG 3.45Å; T128-Q131 PolarHBondContact OG1-N 2.84Å; T128-Q131 PolarHBondContact OG1-OE1 3.28Å; E129-Q131 VanDerWaalsContact C-N 3.34Å; E129-Q131 PolarHBondContact O-N 3.42Å; Q131-R133 VanDerWaalsContact C-N 3.25Å; Q131-R133 PolarHBondContact O-N 2.96Å; Q131-F134 PolarHBondContact O-N 3.38Å; Q131-V135 WeakPolarHBondContact O-CB 3.38Å; Q131-V135 WeakPolarHBondContact O-CG2 3.47Å; Q131-V135 PolarHBondContact O-N 3Å; Q131-V302 HydrophobicContact CG-CB 4.15Å; Q131-V302 HydrophobicContact CG-CG2 4.25Å |
| 132 | I | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.7 | -41.6 | 175.8 | -65.1 | 176 | 0 | 0 | 0 | 110.2 | L127 T128 E129 S136 L225 L228 A229 W261 F265 F291 | L127-I132 HydrophobicContact CB-CD1 4.28Å; L127-I132 HydrophobicContact CB-CG1 3.72Å; T128-I132 WeakPolarHBondContact O-CG1 3.02Å; T128-I132 PolarHBondContact O-N 3.22Å; E129-I132 PolarHBondContact O-N 3.3Å; I132-S136 VanDerWaalsContact O-CB 3.22Å; I132-S136 WeakPolarHBondContact O-CB 3.23Å; I132-S136 PolarHBondContact O-N 3.26Å; I132-S136 PolarHBondContact O-OG 3.48Å; I132-L225 HydrophobicContact CG2-CD2 3.93Å; I132-L228 HydrophobicContact CD1-CB 4.04Å; I132-L228 HydrophobicContact CG1-CB 3.91Å; I132-A229 HydrophobicContact CD1-CB 4Å; I132-W261 HydrophobicContact CD1-CH2 3.8Å; I132-W261 HydrophobicContact CD1-CZ3 3.81Å; I132-F265 HydrophobicContact CD1-CZ 4.48Å; I132-F265 HydrophobicContact CG2-CD2 4.49Å; I132-F265 HydrophobicContact CG2-CE2 3.72Å; I132-F265 HydrophobicContact CG2-CZ 4Å; I132-F291 HydrophobicContact CG2-CZ 4.37Å |
| 133 | R | 98.2 | Very high | 95.8 | Very high | 61 Ų | 61 | 16.6 Ų | 16.6 | 23% | 0.23 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59 | -50.6 | 176.6 | -177.9 | 176.8 | -50.3 | 117.8 | 5.8 | 112.7 | E129 Q131 S136 R137 F291 V295 | E129-R133 WeakPolarHBondContact O-CB 3.41Å; E129-R133 PolarHBondContact O-N 3.03Å; E129-R133 IonicContact OE1-CZ 3.85Å; E129-R133 IonicContact OE1-NH2 2.7Å; E129-R133 PolarHBondContact OE1-NH2 3.09Å; Q131-R133 VanDerWaalsContact C-N 3.25Å; Q131-R133 PolarHBondContact O-N 2.96Å; R133-S136 WeakPolarHBondContact O-CB 3.37Å; R133-S136 PolarHBondContact O-N 3.24Å; R133-R137 PolarHBondContact O-N 3.25Å; R133-F291 HydrophobicContact CB-CE1 4.2Å; R133-F291 HydrophobicContact CB-CE2 4.08Å; R133-F291 HydrophobicContact CB-CZ 3.71Å; R133-F291 WeakPolarHBondContact CD-O 3.41Å; R133-F291 HydrophobicContact CG-CE2 4.36Å; R133-F291 HydrophobicContact CG-CZ 4.26Å; R133-F291 WeakPolarHBondContact CG-O 3.46Å; R133-F291 PolarHBondContact NE-O 2.79Å; R133-V295 HydrophobicContact CG-CG2 3.53Å |
| 134 | F | 98.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.009 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.8 | -46.7 | 178.7 | -174.3 | -91.2 | 0 | 0 | 0 | 111.9 | P130 Q131 S136 R137 E138 V169 V295 D299 R300 V302 I303 | P130-F134 PolarHBondContact O-N 2.88Å; P130-F134 VanDerWaalsContact O-N 3.17Å; Q131-F134 PolarHBondContact O-N 3.38Å; F134-S136 VanDerWaalsContact C-N 3.29Å; F134-S136 PolarHBondContact O-N 3.31Å; F134-R137 PolarHBondContact O-N 3.28Å; F134-E138 HydrophobicContact CD1-CG 4.2Å; F134-E138 HydrophobicContact CE1-CG 3.69Å; F134-E138 HydrophobicContact CZ-CG 3.97Å; F134-E138 PolarHBondContact O-N 3.42Å; F134-V169 HydrophobicContact CD1-CG2 4.36Å; F134-V169 HydrophobicContact CE1-CG2 4.16Å; F134-V295 HydrophobicContact CD2-CG1 3.67Å; F134-V295 HydrophobicContact CE2-CG1 4.27Å; F134-D299 HydrophobicContact CD2-CB 3.78Å; F134-D299 HydrophobicContact CE2-CB 4.3Å; F134-R300 HydrophobicContact CE1-CB 4.42Å; F134-R300 HydrophobicContact CE1-CG 4.27Å; F134-R300 VanDerWaalsContact CE2-CA 3.47Å; F134-R300 HydrophobicContact CE2-CB 3.87Å; F134-R300 VanDerWaalsContact CE2-N 3.33Å; F134-R300 HydrophobicContact CZ-CB 3.62Å; F134-R300 HydrophobicContact CZ-CG 3.82Å; F134-V302 HydrophobicContact CB-CG2 3.69Å; F134-V302 HydrophobicContact CG-CG2 4.14Å; F134-I303 HydrophobicContact CD1-CD1 3.93Å; F134-I303 HydrophobicContact CD1-CG1 3.39Å; F134-I303 HydrophobicContact CE1-CG1 3.67Å; F134-I303 HydrophobicContact CG-CG1 4.33Å |
| 135 | V | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -57.3 | -43.7 | 175.3 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | L116 Q131 R137 E138 V139 I161 V169 L228 I303 | L116-V135 HydrophobicContact CD1-CG1 3.69Å; L116-V135 HydrophobicContact CD1-CG2 4.02Å; Q131-V135 WeakPolarHBondContact O-CB 3.38Å; Q131-V135 WeakPolarHBondContact O-CG2 3.47Å; Q131-V135 PolarHBondContact O-N 3Å; V135-R137 PolarHBondContact O-N 2.96Å; V135-E138 PolarHBondContact O-N 3.26Å; V135-V139 HydrophobicContact CG1-CG2 3.86Å; V135-V139 WeakPolarHBondContact O-CB 3.49Å; V135-V139 VanDerWaalsContact O-CG2 3.23Å; V135-V139 WeakPolarHBondContact O-CG2 3.39Å; V135-V139 PolarHBondContact O-N 2.7Å; V135-I161 HydrophobicContact CG1-CG2 4.28Å; V135-V169 HydrophobicContact CG1-CG1 4.5Å; V135-V169 HydrophobicContact CG2-CG2 4.4Å; V135-L228 HydrophobicContact CG1-CD1 3.97Å; V135-I303 HydrophobicContact CG2-CD1 3.93Å |
| 136 | S | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -57.3 | -45.7 | 178.6 | -64.1 | 0 | 0 | 0 | 0 | 112.2 | I132 R133 F134 L140 L225 | I132-S136 VanDerWaalsContact O-CB 3.22Å; I132-S136 WeakPolarHBondContact O-CB 3.23Å; I132-S136 PolarHBondContact O-N 3.26Å; I132-S136 PolarHBondContact O-OG 3.48Å; R133-S136 WeakPolarHBondContact O-CB 3.37Å; R133-S136 PolarHBondContact O-N 3.24Å; F134-S136 VanDerWaalsContact C-N 3.29Å; F134-S136 PolarHBondContact O-N 3.31Å; S136-L140 WeakPolarHBondContact O-CB 3.43Å; S136-L140 VanDerWaalsContact O-CG 3.25Å; S136-L140 WeakPolarHBondContact O-CG 3.33Å; S136-L140 PolarHBondContact O-N 3.04Å; S136-L225 VanDerWaalsContact OG-CD2 3.26Å; S136-L225 WeakPolarHBondContact OG-CD2 3.17Å |
| 137 | R | 98.5 | Very high | 97.5 | Very high | 27 Ų | 27 | 15.4 Ų | 15.4 | 10% | 0.102 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 178.6 | -161.9 | -148.2 | 84.5 | -170.4 | -1.5 | 112 | R133 F134 V135 Q141 L287 V292 V295 T296 | R133-R137 PolarHBondContact O-N 3.25Å; F134-R137 PolarHBondContact O-N 3.28Å; V135-R137 PolarHBondContact O-N 2.96Å; R137-Q141 WeakPolarHBondContact O-CG 3.26Å; R137-Q141 PolarHBondContact O-N 3.29Å; R137-Q141 VanDerWaalsContact O-N 3.12Å; R137-L287 HydrophobicContact CG-CD2 4.15Å; R137-V292 HydrophobicContact CB-CB 4.31Å; R137-V295 HydrophobicContact CB-CB 4.25Å; R137-V295 HydrophobicContact CB-CG1 4.17Å; R137-V295 WeakPolarHBondContact CD-O 3.47Å; R137-V295 HydrophobicContact CG-CB 4.24Å; R137-V295 HydrophobicContact CG-CG1 4.45Å; R137-V295 PolarHBondContact NH1-O 3.48Å; R137-T296 PolarHBondContact NH1-O 3.35Å |
| 138 | E | 98.5 | Very high | 97.5 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.009 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.7 | -41.1 | -178.9 | -67.9 | -72.9 | 87.1 | 0 | 0 | 112.2 | K89 N90 F134 V135 Q141 G142 V169 R300 | K89-E138 IonicContact NZ-OE1 2.7Å; K89-E138 PolarHBondContact NZ-OE1 3.03Å; K89-E138 IonicContact NZ-OE2 3.88Å; N90-E138 WeakPolarHBondContact CB-O 3.3Å; N90-E138 VanDerWaalsContact CG-O 3.31Å; N90-E138 VanDerWaalsContact ND2-CD 3.31Å; N90-E138 PolarHBondContact ND2-OE2 3.03Å; N90-E138 PolarHBondContact OD1-O 3.38Å; F134-E138 HydrophobicContact CD1-CG 4.2Å; F134-E138 HydrophobicContact CE1-CG 3.69Å; F134-E138 HydrophobicContact CZ-CG 3.97Å; F134-E138 PolarHBondContact O-N 3.42Å; V135-E138 PolarHBondContact O-N 3.26Å; E138-Q141 PolarHBondContact O-N 3.07Å; E138-Q141 PolarHBondContact OE1-OE1 2.67Å; E138-G142 PolarHBondContact O-N 2.84Å; E138-V169 HydrophobicContact CB-CB 3.66Å; E138-V169 HydrophobicContact CB-CG1 4.04Å; E138-V169 HydrophobicContact CB-CG2 4.02Å; E138-V169 HydrophobicContact CG-CB 4.1Å; E138-V169 HydrophobicContact CG-CG2 4.05Å; E138-R300 IonicContact OE2-NH1 2.9Å; E138-R300 PolarHBondContact OE2-NH1 3.2Å; E138-R300 IonicContact OE2-NH2 2.91Å |
| 139 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 175.4 | 166.8 | 0 | 0 | 0 | 0 | 110.9 | V135 Q141 G142 L143 M156 I161 V169 L171 F221 | V135-V139 HydrophobicContact CG1-CG2 3.86Å; V135-V139 WeakPolarHBondContact O-CB 3.49Å; V135-V139 VanDerWaalsContact O-CG2 3.23Å; V135-V139 WeakPolarHBondContact O-CG2 3.39Å; V135-V139 PolarHBondContact O-N 2.7Å; V139-Q141 VanDerWaalsContact C-N 3.34Å; V139-Q141 PolarHBondContact O-N 3.3Å; V139-G142 PolarHBondContact O-N 3.48Å; V139-G142 VanDerWaalsContact O-N 3.16Å; V139-L143 HydrophobicContact CG1-CD1 4.04Å; V139-L143 HydrophobicContact CG1-CG 4.42Å; V139-L143 PolarHBondContact O-N 2.89Å; V139-M156 HydrophobicContact CG1-CE 3.63Å; V139-I161 HydrophobicContact CG2-CD1 3.8Å; V139-I161 HydrophobicContact CG2-CG1 4.16Å; V139-I161 HydrophobicContact CG2-CG2 4.15Å; V139-V169 HydrophobicContact CG2-CG1 4.18Å; V139-L171 HydrophobicContact CB-CD2 4.46Å; V139-L171 HydrophobicContact CG1-CD2 4.17Å; V139-L171 HydrophobicContact CG2-CD2 4.06Å; V139-F221 HydrophobicContact CB-CE2 4.1Å; V139-F221 HydrophobicContact CG1-CD2 3.58Å; V139-F221 HydrophobicContact CG1-CE2 3.65Å |
| 140 | L | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.9 | -36.3 | 177.1 | -75.6 | 173.3 | 0 | 0 | 0 | 112.7 | S136 G142 L143 E144 F221 F268 C283 L286 L287 V292 | S136-L140 WeakPolarHBondContact O-CB 3.43Å; S136-L140 VanDerWaalsContact O-CG 3.25Å; S136-L140 WeakPolarHBondContact O-CG 3.33Å; S136-L140 PolarHBondContact O-N 3.04Å; L140-G142 VanDerWaalsContact C-N 3.35Å; L140-L143 PolarHBondContact O-N 3.39Å; L140-E144 VanDerWaalsContact O-CB 3.25Å; L140-E144 WeakPolarHBondContact O-CB 3.27Å; L140-E144 PolarHBondContact O-N 2.89Å; L140-F221 HydrophobicContact CD1-CE1 4.35Å; L140-F221 HydrophobicContact CD1-CZ 4.47Å; L140-F221 HydrophobicContact CD2-CD1 4.18Å; L140-F221 HydrophobicContact CD2-CE1 3.86Å; L140-F221 HydrophobicContact CD2-CZ 4.36Å; L140-F221 HydrophobicContact CG-CE1 4.04Å; L140-F221 HydrophobicContact CG-CZ 4.08Å; L140-F268 HydrophobicContact CD1-CE2 4.13Å; L140-F268 HydrophobicContact CD1-CZ 3.82Å; L140-C283 HydrophobicContact CD2-CB 4.4Å; L140-L286 HydrophobicContact CD1-CB 3.67Å; L140-L286 HydrophobicContact CD2-CB 3.99Å; L140-L286 HydrophobicContact CD2-CD1 3.83Å; L140-L287 HydrophobicContact CB-CD1 4.47Å; L140-L287 HydrophobicContact CB-CD2 3.63Å; L140-L287 HydrophobicContact CB-CG 3.89Å; L140-L287 HydrophobicContact CD1-CD2 4.29Å; L140-L287 HydrophobicContact CD1-CG 4.41Å; L140-V292 HydrophobicContact CD1-CG2 4.39Å |
| 141 | Q | 98.4 | Very high | 97.2 | Very high | 48 Ų | 48 | 23.9 Ų | 23.9 | 22% | 0.224 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.8 | -35.9 | 173.1 | -74.4 | 177 | -13.3 | 0 | 0 | 112 | H88 R137 E138 V139 F145 L287 | H88-Q141 PolarHBondContact CE1-O 3.46Å; R137-Q141 WeakPolarHBondContact O-CG 3.26Å; R137-Q141 PolarHBondContact O-N 3.29Å; R137-Q141 VanDerWaalsContact O-N 3.12Å; E138-Q141 PolarHBondContact O-N 3.07Å; E138-Q141 PolarHBondContact OE1-OE1 2.67Å; V139-Q141 VanDerWaalsContact C-N 3.34Å; V139-Q141 PolarHBondContact O-N 3.3Å; Q141-F145 PolarHBondContact O-N 3.28Å; Q141-L287 HydrophobicContact CG-CD1 4.17Å; Q141-L287 HydrophobicContact CG-CD2 3.89Å |
| 142 | G | 98 | Very high | 97 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.1 | -49.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E138 V139 L140 F145 L146 | E138-G142 PolarHBondContact O-N 2.84Å; V139-G142 PolarHBondContact O-N 3.48Å; V139-G142 VanDerWaalsContact O-N 3.16Å; L140-G142 VanDerWaalsContact C-N 3.35Å; G142-F145 PolarHBondContact O-N 2.97Å; G142-L146 WeakPolarHBondContact O-CG 3.45Å; G142-L146 PolarHBondContact O-N 3.37Å; G142-L146 VanDerWaalsContact O-N 3.16Å |
| 143 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.6 | -42.3 | 179.5 | -71.6 | 176.4 | 0 | 0 | 0 | 112.6 | V139 L140 F145 L146 H147 H153 M156 L171 D217 F221 C283 | V139-L143 HydrophobicContact CG1-CD1 4.04Å; V139-L143 HydrophobicContact CG1-CG 4.42Å; V139-L143 PolarHBondContact O-N 2.89Å; L140-L143 PolarHBondContact O-N 3.39Å; L143-F145 VanDerWaalsContact C-N 3.34Å; L143-F145 PolarHBondContact O-N 3.48Å; L143-L146 HydrophobicContact CD2-CD1 4.42Å; L143-L146 PolarHBondContact O-N 3.38Å; L143-H147 WeakPolarHBondContact O-CB 3.36Å; L143-H147 PolarHBondContact O-CD2 3.4Å; L143-H147 PolarHBondContact O-N 2.86Å; L143-H153 HydrophobicContact CD2-CB 4.33Å; L143-M156 HydrophobicContact CD1-CE 4.39Å; L143-M156 HydrophobicContact CD2-CG 4.11Å; L143-M156 HydrophobicContact CD2-SD 3.92Å; L143-L171 HydrophobicContact CD2-CD1 4.07Å; L143-L171 HydrophobicContact CG-CD1 4.07Å; L143-D217 HydrophobicContact CD2-CB 4.08Å; L143-F221 HydrophobicContact CD1-CB 4.33Å; L143-C283 VanDerWaalsContact CB-SG 3.55Å |
| 144 | E | 98.2 | Very high | 96.4 | Very high | 58 Ų | 58 | 22.2 Ų | 22.2 | 27% | 0.271 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -53.9 | -50.6 | 175 | -176.7 | 171.6 | -118.7 | 0 | 0 | 111.2 | L140 L146 H147 E148 C283 R284 L287 | L140-E144 VanDerWaalsContact O-CB 3.25Å; L140-E144 WeakPolarHBondContact O-CB 3.27Å; L140-E144 PolarHBondContact O-N 2.89Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 3.49Å; E144-H147 PolarHBondContact O-N 3.45Å; E144-E148 WeakPolarHBondContact O-CG 3.44Å; E144-E148 PolarHBondContact O-N 3.21Å; E144-C283 HydrophobicContact CB-CB 3.62Å; E144-C283 HydrophobicContact CG-CB 4.26Å; E144-R284 WeakPolarHBondContact OE1-CA 3.44Å; E144-R284 WeakPolarHBondContact OE1-CB 3.45Å; E144-L287 HydrophobicContact CB-CD1 4.4Å; E144-L287 VanDerWaalsContact OE2-CD1 3.25Å; E144-L287 WeakPolarHBondContact OE2-CD1 3.49Å |
| 145 | F | 97.9 | Very high | 96.1 | Very high | 36 Ų | 36 | 22.6 Ų | 22.6 | 16% | 0.158 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.6 | -41.2 | 177.4 | 172 | -101.6 | 0 | 0 | 0 | 112.8 | F86 H88 I91 Q141 G142 L143 K149 | F86-F145 HydrophobicContact CB-CE1 3.71Å; F86-F145 HydrophobicContact CB-CZ 3.91Å; H88-F145 HydrophobicContact CB-CB 4.47Å; H88-F145 HydrophobicContact CB-CD1 3.41Å; H88-F145 VanDerWaalsContact CB-CD1 3.41Å; H88-F145 HydrophobicContact CB-CD2 4.1Å; H88-F145 HydrophobicContact CB-CE1 3.45Å; H88-F145 VanDerWaalsContact CB-CE1 3.45Å; H88-F145 HydrophobicContact CB-CE2 4.15Å; H88-F145 HydrophobicContact CB-CG 3.74Å; H88-F145 HydrophobicContact CB-CZ 3.83Å; H88-F145 AromaticContact CG-CD1 3.93Å; H88-F145 AromaticContact CG-CG 3.83Å; I91-F145 HydrophobicContact CG1-CD1 4Å; I91-F145 HydrophobicContact CG1-CE1 4.31Å; Q141-F145 PolarHBondContact O-N 3.28Å; G142-F145 PolarHBondContact O-N 2.97Å; L143-F145 VanDerWaalsContact C-N 3.34Å; L143-F145 PolarHBondContact O-N 3.48Å; F145-K149 VanDerWaalsContact O-CG 3.28Å; F145-K149 WeakPolarHBondContact O-CG 3.32Å; F145-K149 PolarHBondContact O-N 2.98Å |
| 146 | L | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.6 | -45.1 | 175.4 | -68.1 | 169.7 | 0 | 0 | 0 | 111.5 | I91 G142 L143 E144 K149 L150 I151 L171 F174 | I91-L146 HydrophobicContact CD1-CD1 3.74Å; I91-L146 HydrophobicContact CD1-CD2 4Å; I91-L146 HydrophobicContact CD1-CG 3.79Å; G142-L146 WeakPolarHBondContact O-CG 3.45Å; G142-L146 PolarHBondContact O-N 3.37Å; G142-L146 VanDerWaalsContact O-N 3.16Å; L143-L146 HydrophobicContact CD2-CD1 4.42Å; L143-L146 PolarHBondContact O-N 3.38Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 3.49Å; L146-K149 CarbonylContact O-C 3.5Å; L146-K149 WeakPolarHBondContact O-CA 3.34Å; L146-K149 PolarHBondContact O-N 3.45Å; L146-L150 PolarHBondContact O-N 3.21Å; L146-I151 CarbonylContact C-O 3.49Å; L146-I151 HydrophobicContact CB-CB 4.14Å; L146-I151 HydrophobicContact CB-CG2 4.46Å; L146-I151 HydrophobicContact CD2-CB 4.2Å; L146-I151 HydrophobicContact CD2-CD1 4.06Å; L146-I151 HydrophobicContact CD2-CG2 4.02Å; L146-I151 WeakPolarHBondContact O-CB 3.42Å; L146-I151 PolarHBondContact O-N 3.32Å; L146-L171 HydrophobicContact CD1-CD1 4.31Å; L146-F174 HydrophobicContact CD1-CE1 3.85Å; L146-F174 HydrophobicContact CD2-CE1 3.92Å |
| 147 | H | 96.1 | Very high | 95.9 | Very high | 14 Ų | 14 | 24.4 Ų | 24.4 | 7% | 0.065 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.1 | -38.9 | -176.2 | -64.4 | -174.5 | 0 | 0 | 0 | 111.4 | L143 E144 K149 L150 I151 W214 D217 | L143-H147 WeakPolarHBondContact O-CB 3.36Å; L143-H147 PolarHBondContact O-CD2 3.4Å; L143-H147 PolarHBondContact O-N 2.86Å; E144-H147 PolarHBondContact O-N 3.45Å; H147-K149 PolarHBondContact O-N 2.92Å; H147-L150 WeakPolarHBondContact O-CA 3.47Å; H147-L150 PolarHBondContact O-N 3.35Å; H147-I151 PolarHBondContact CD2-O 3.11Å; H147-W214 HydrophobicContact CB-CB 4.22Å; H147-W214 HydrophobicContact CB-CG 4.06Å; H147-W214 PolarHBondContact CE1-O 3.47Å; H147-W214 VanDerWaalsContact CE1-O 3.27Å; H147-W214 AromaticContact CG-CD1 3.77Å; H147-W214 AromaticContact CG-CG 3.87Å; H147-W214 AromaticContact ND1-CD1 3.47Å; H147-W214 AromaticContact ND1-CG 3.92Å; H147-D217 IonicContact CD2-OD2 3.76Å; H147-D217 IonicContact CE1-OD2 2.93Å; H147-D217 IonicContact NE2-OD2 3.76Å; H147-D217 PolarHBondContact NE2-OD2 3.49Å |
| 148 | E | 95.2 | Very high | 95.9 | Very high | 127 Ų | 127 | 23.1 Ų | 23.1 | 59% | 0.593 | 11% | 0.106 | S | C | * | . | H | α-helix | trans | -58.4 | -30.6 | 169.7 | -79.4 | -165.7 | 166.6 | 0 | 0 | 113.7 | E144 L150 | E144-E148 WeakPolarHBondContact O-CG 3.44Å; E144-E148 PolarHBondContact O-N 3.21Å; E148-L150 VanDerWaalsContact C-N 3.26Å |
| 149 | K | 93.5 | Very high | 95.6 | Very high | 85 Ų | 85 | 23.8 Ų | 23.8 | 37% | 0.37 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 13 | 177.7 | -54.1 | -59.8 | 171.4 | -100.8 | 0 | 111.9 | F86 F145 L146 H147 I151 | F86-K149 HydrophobicContact CD1-CB 3.88Å; F86-K149 HydrophobicContact CD1-CD 4.3Å; F86-K149 HydrophobicContact CD1-CG 3.74Å; F86-K149 HydrophobicContact CE1-CB 3.74Å; F86-K149 HydrophobicContact CE1-CD 4.22Å; F86-K149 HydrophobicContact CE1-CG 3.93Å; F145-K149 VanDerWaalsContact O-CG 3.28Å; F145-K149 WeakPolarHBondContact O-CG 3.32Å; F145-K149 PolarHBondContact O-N 2.98Å; L146-K149 CarbonylContact O-C 3.5Å; L146-K149 WeakPolarHBondContact O-CA 3.34Å; L146-K149 PolarHBondContact O-N 3.45Å; H147-K149 PolarHBondContact O-N 2.92Å; K149-I151 VanDerWaalsContact C-N 3.25Å; K149-I151 HydrophobicContact CB-CD1 4.1Å; K149-I151 HydrophobicContact CB-CG1 4.42Å; K149-I151 PolarHBondContact O-N 3.06Å |
| 150 | L | 91.9 | Very high | 95.5 | Very high | 33 Ų | 33 | 24.4 Ų | 24.4 | 17% | 0.173 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 34.4 | 179.5 | -50.9 | 178.3 | 0 | 0 | 0 | 113.2 | L146 H147 E148 K179 L180 E183 W214 | L146-L150 PolarHBondContact O-N 3.21Å; H147-L150 WeakPolarHBondContact O-CA 3.47Å; H147-L150 PolarHBondContact O-N 3.35Å; E148-L150 VanDerWaalsContact C-N 3.26Å; L150-K179 CarbonylContact O-C 3.59Å; L150-L180 HydrophobicContact CB-CB 4.05Å; L150-L180 PolarHBondContact O-N 2.9Å; L150-E183 HydrophobicContact CD2-CB 4.49Å; L150-E183 HydrophobicContact CD2-CG 3.7Å; L150-W214 HydrophobicContact CD2-CH2 4.33Å; L150-W214 HydrophobicContact CD2-CZ3 3.97Å |
| 151 | I | 93 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 131.1 | 175.8 | -60.1 | 164.1 | 0 | 0 | 0 | 109 | I82 F86 L146 H147 K149 A178 K179 | I82-I151 HydrophobicContact CD1-CG2 4.01Å; I82-I151 HydrophobicContact CG1-CD1 4.32Å; I82-I151 HydrophobicContact CG2-CD1 4.25Å; F86-I151 HydrophobicContact CB-CD1 4.49Å; F86-I151 HydrophobicContact CD1-CD1 4.28Å; F86-I151 HydrophobicContact CD2-CD1 3.56Å; F86-I151 HydrophobicContact CE1-CD1 4.42Å; F86-I151 HydrophobicContact CE2-CD1 3.77Å; F86-I151 HydrophobicContact CG-CD1 3.84Å; F86-I151 HydrophobicContact CZ-CD1 4.18Å; L146-I151 CarbonylContact C-O 3.49Å; L146-I151 HydrophobicContact CB-CB 4.14Å; L146-I151 HydrophobicContact CB-CG2 4.46Å; L146-I151 HydrophobicContact CD2-CB 4.2Å; L146-I151 HydrophobicContact CD2-CD1 4.06Å; L146-I151 HydrophobicContact CD2-CG2 4.02Å; L146-I151 WeakPolarHBondContact O-CB 3.42Å; L146-I151 PolarHBondContact O-N 3.32Å; H147-I151 PolarHBondContact CD2-O 3.11Å; K149-I151 VanDerWaalsContact C-N 3.25Å; K149-I151 HydrophobicContact CB-CD1 4.1Å; K149-I151 HydrophobicContact CB-CG1 4.42Å; K149-I151 PolarHBondContact O-N 3.06Å; I151-A178 CarbonylContact C-O 3.53Å; I151-A178 WeakPolarHBondContact CA-O 3.47Å; I151-K179 HydrophobicContact CG1-CG 4.17Å |
| 152 | I | 93.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 129.5 | 169.3 | -45.4 | 176.9 | 0 | 0 | 0 | 108 | R154 S177 A178 L180 R187 Y212 W214 D217 | I152-R154 HydrophobicContact CB-CG 3.96Å; I152-R154 HydrophobicContact CG2-CG 3.46Å; I152-R154 VanDerWaalsContact CG2-CG 3.46Å; I152-S177 CarbonylContact O-C 3.55Å; I152-S177 VanDerWaalsContact O-CA 3.23Å; I152-S177 WeakPolarHBondContact O-CA 3.44Å; I152-S177 WeakPolarHBondContact O-CB 3.2Å; I152-A178 PolarHBondContact N-O 3.37Å; I152-A178 PolarHBondContact O-N 3.4Å; I152-L180 HydrophobicContact CD1-CD1 4.26Å; I152-L180 HydrophobicContact CD1-CD2 4.04Å; I152-L180 HydrophobicContact CD1-CG 4.37Å; I152-L180 HydrophobicContact CG1-CD1 4.38Å; I152-L180 HydrophobicContact CG1-CG 4.49Å; I152-R187 HydrophobicContact CD1-CG 4.45Å; I152-Y212 HydrophobicContact CD1-CD2 4.25Å; I152-Y212 HydrophobicContact CD1-CE2 4.22Å; I152-W214 HydrophobicContact CG1-CB 4.22Å; I152-D217 WeakPolarHBondContact CG2-OD1 3.46Å; I152-D217 WeakPolarHBondContact CG2-OD2 3.42Å |
| 153 | H | 93.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -72.4 | -44 | -179.5 | -165.8 | -78.7 | 0 | 0 | 0 | 112.1 | L143 D155 M156 A172 F174 S177 D217 | L143-H153 HydrophobicContact CD2-CB 4.33Å; H153-D155 PolarHBondContact CE1-O 3.15Å; H153-D155 PolarHBondContact ND1-O 2.92Å; H153-D155 PolarHBondContact O-N 3.41Å; H153-M156 HydrophobicContact CB-CG 4.13Å; H153-M156 HydrophobicContact CB-SD 4.41Å; H153-A172 PolarHBondContact CE1-O 3.36Å; H153-A172 VanDerWaalsContact CE1-O 3.31Å; H153-A172 PolarHBondContact NE2-O 3.01Å; H153-F174 AromaticContact CD2-CE1 3.7Å; H153-S177 PolarHBondContact O-OG 2.99Å; H153-D217 PolarHBondContact N-OD1 3.27Å; H153-D217 PolarHBondContact N-OD2 3.46Å | ||
| 154 | R | 91.6 | Very high | 95.3 | Very high | 33 Ų | 33 | 24 Ų | 24 | 13% | 0.125 | 12% | 0.115 | C | C | . | . | trans | 66.5 | -16 | 178.3 | -55.9 | -165.6 | -70.6 | 175.3 | 3.6 | 117.5 | I152 V176 S177 T189 Y212 D217 | I152-R154 HydrophobicContact CB-CG 3.96Å; I152-R154 HydrophobicContact CG2-CG 3.46Å; I152-R154 VanDerWaalsContact CG2-CG 3.46Å; R154-V176 PolarHBondContact NE-O 2.6Å; R154-V176 PolarHBondContact NH2-O 3.35Å; R154-S177 PolarHBondContact NH2-O 2.9Å; R154-T189 PolarHBondContact NH1-OG1 3.39Å; R154-Y212 WeakPolarHBondContact CD-OH 3.45Å; R154-Y212 HydrophobicContact CG-CE2 4.32Å; R154-Y212 PolarHBondContact NH1-OH 3.17Å; R154-D217 PolarHBondContact N-OD1 2.96Å | ||
| 155 | D | 91.8 | Very high | 95.1 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 6% | 0.059 | 13% | 0.133 | C | C | . | . | trans | -131 | 56.5 | 176 | -160.7 | 46 | 0 | 0 | 0 | 113.4 | H153 K157 N160 V176 T193 | H153-D155 PolarHBondContact CE1-O 3.15Å; H153-D155 PolarHBondContact ND1-O 2.92Å; H153-D155 PolarHBondContact O-N 3.41Å; D155-K157 IonicContact OD1-NZ 3.39Å; D155-K157 WeakPolarHBondContact OD2-CE 3.37Å; D155-K157 IonicContact OD2-NZ 2.76Å; D155-K157 PolarHBondContact OD2-NZ 3.37Å; D155-N160 PolarHBondContact O-ND2 2.89Å; D155-N160 PolarHBondContact OD2-ND2 3.47Å; D155-V176 HydrophobicContact CB-CG2 3.61Å; D155-T193 WeakPolarHBondContact OD1-CB 3.5Å; D155-T193 PolarHBondContact OD1-N 3.36Å; D155-T193 VanDerWaalsContact OD1-N 3.15Å; D155-T193 PolarHBondContact OD1-OG1 3.37Å | ||
| 156 | M | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -78.4 | 120.9 | 174 | -77.5 | -61.3 | -55.7 | 0 | 0 | 111.3 | V139 L143 H153 I161 L171 W196 D217 T224 | V139-M156 HydrophobicContact CG1-CE 3.63Å; L143-M156 HydrophobicContact CD1-CE 4.39Å; L143-M156 HydrophobicContact CD2-CG 4.11Å; L143-M156 HydrophobicContact CD2-SD 3.92Å; H153-M156 HydrophobicContact CB-CG 4.13Å; H153-M156 HydrophobicContact CB-SD 4.41Å; M156-I161 HydrophobicContact CE-CD1 4.34Å; M156-I161 HydrophobicContact CE-CG1 4.36Å; M156-L171 HydrophobicContact CE-CD2 3.77Å; M156-L171 HydrophobicContact SD-CD1 4.3Å; M156-L171 HydrophobicContact SD-CD2 4.02Å; M156-W196 VanDerWaalsContact O-CD1 3.3Å; M156-D217 HydrophobicContact CG-CB 4.41Å; M156-T224 PolarHBondContact O-OG1 2.91Å | ||
| 157 | K | 96.8 | Very high | 94.8 | Very high | 39 Ų | 39 | 30.8 Ų | 30.8 | 17% | 0.17 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -161.7 | 163.9 | 178.2 | 64.7 | -157.1 | -172 | -156.4 | 0 | 110.3 | D155 G159 N160 T193 W196 T224 | D155-K157 IonicContact OD1-NZ 3.39Å; D155-K157 WeakPolarHBondContact OD2-CE 3.37Å; D155-K157 IonicContact OD2-NZ 2.76Å; D155-K157 PolarHBondContact OD2-NZ 3.37Å; K157-G159 VanDerWaalsContact C-N 3.26Å; K157-G159 PolarHBondContact O-N 3.17Å; K157-N160 WeakPolarHBondContact CE-ND2 3.37Å; K157-N160 WeakPolarHBondContact CE-OD1 3.17Å; K157-N160 HydrophobicContact CG-CB 4.17Å; K157-N160 PolarHBondContact O-N 2.97Å; K157-T193 PolarHBondContact NZ-OG1 3.05Å; K157-T193 VanDerWaalsContact NZ-OG1 3.09Å; K157-W196 HydrophobicContact CB-CD2 3.94Å; K157-W196 HydrophobicContact CB-CG 4.15Å; K157-W196 HydrophobicContact CB-CZ2 3.9Å; K157-T224 WeakPolarHBondContact CA-OG1 3.16Å |
| 158 | A | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -62.5 | -30.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L116 D117 M120 N160 I161 T224 E227 L228 | L116-A158 HydrophobicContact CB-CB 4.18Å; L116-A158 PolarHBondContact N-O 3.41Å; D117-A158 HydrophobicContact CB-CB 4.26Å; M120-A158 HydrophobicContact CE-CB 4.1Å; A158-N160 PolarHBondContact O-N 2.98Å; A158-I161 PolarHBondContact O-N 3.22Å; A158-T224 HydrophobicContact CB-CG2 4.31Å; A158-E227 HydrophobicContact CB-CG 3.99Å; A158-E227 WeakPolarHBondContact CB-OE1 3.3Å; A158-E227 WeakPolarHBondContact CB-OE2 3.3Å; A158-E227 PolarHBondContact N-OE2 2.96Å; A158-L228 HydrophobicContact CB-CD2 3.67Å |
| 159 | G | 94.1 | Very high | 95.1 | Very high | 15 Ų | 15 | 27 Ų | 27 | 16% | 0.155 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -62.8 | -21.8 | 173 | 0 | 0 | 0 | 0 | 0 | 115.1 | A115 D117 K157 | A115-G159 WeakPolarHBondContact CB-O 3.37Å; D117-G159 VanDerWaalsContact OD2-CA 3.31Å; D117-G159 WeakPolarHBondContact OD2-CA 3.29Å; K157-G159 VanDerWaalsContact C-N 3.26Å; K157-G159 PolarHBondContact O-N 3.17Å |
| 160 | N | 95.2 | Very high | 95.3 | Very high | 14 Ų | 14 | 23.4 Ų | 23.4 | 8% | 0.075 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -100.6 | 7 | 178.6 | -70 | -0.2 | 0 | 0 | 0 | 112.6 | D155 K157 A158 A172 | D155-N160 PolarHBondContact O-ND2 2.89Å; D155-N160 PolarHBondContact OD2-ND2 3.47Å; K157-N160 WeakPolarHBondContact CE-ND2 3.37Å; K157-N160 WeakPolarHBondContact CE-OD1 3.17Å; K157-N160 HydrophobicContact CG-CB 4.17Å; K157-N160 PolarHBondContact O-N 2.97Å; A158-N160 PolarHBondContact O-N 2.98Å; N160-A172 PolarHBondContact O-N 3.45Å |
| 161 | I | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 109.8 | 172.3 | -57.7 | 167.6 | 0 | 0 | 0 | 107.9 | A115 L116 V135 V139 M156 A158 V169 L171 T224 | A115-I161 WeakPolarHBondContact CA-O 3.28Å; L116-I161 HydrophobicContact CD1-CB 3.89Å; L116-I161 HydrophobicContact CD1-CD1 4.39Å; L116-I161 HydrophobicContact CD1-CG2 3.51Å; L116-I161 HydrophobicContact CG-CB 4.23Å; L116-I161 HydrophobicContact CG-CG2 4.03Å; L116-I161 PolarHBondContact N-O 3.01Å; L116-I161 VanDerWaalsContact N-O 3.07Å; V135-I161 HydrophobicContact CG1-CG2 4.28Å; V139-I161 HydrophobicContact CG2-CD1 3.8Å; V139-I161 HydrophobicContact CG2-CG1 4.16Å; V139-I161 HydrophobicContact CG2-CG2 4.15Å; M156-I161 HydrophobicContact CE-CD1 4.34Å; M156-I161 HydrophobicContact CE-CG1 4.36Å; A158-I161 PolarHBondContact O-N 3.22Å; I161-V169 HydrophobicContact CG2-CG1 3.56Å; I161-L171 HydrophobicContact CG1-CD2 4.1Å; I161-T224 HydrophobicContact CD1-CG2 3.76Å |
| 162 | L | 97.8 | Very high | 95.6 | Very high | 34 Ų | 34 | 22.2 Ų | 22.2 | 18% | 0.178 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 149.5 | -174.7 | -51.5 | -175.1 | 0 | 0 | 0 | 111.9 | L92 C111 G114 A115 K170 A172 | L92-L162 HydrophobicContact CD1-CD1 4.36Å; L92-L162 HydrophobicContact CD2-CD1 4.43Å; C111-L162 HydrophobicContact CB-CB 3.56Å; C111-L162 HydrophobicContact CB-CD1 3.98Å; C111-L162 HydrophobicContact CB-CG 4.4Å; G114-L162 WeakPolarHBondContact O-CA 3.3Å; A115-L162 HydrophobicContact CB-CD2 3.62Å; L162-K170 PolarHBondContact N-O 3.42Å; L162-K170 PolarHBondContact O-N 2.89Å; L162-A172 HydrophobicContact CD1-CB 3.53Å; L162-A172 HydrophobicContact CG-CB 3.79Å |
| 163 | L | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.1 | 174.4 | -61.3 | -174.8 | 0 | 0 | 0 | 112.1 | C111 G113 G114 L116 I119 E168 V169 I303 L306 L307 | C111-L163 CarbonylContact C-O 3.57Å; C111-L163 WeakPolarHBondContact CA-O 3.46Å; C111-L163 WeakPolarHBondContact CB-O 3.46Å; G113-L163 VanDerWaalsContact CA-O 3.28Å; G113-L163 WeakPolarHBondContact CA-O 3.38Å; G113-L163 PolarHBondContact N-O 2.73Å; G114-L163 PolarHBondContact O-N 3.31Å; L116-L163 HydrophobicContact CD2-CD1 3.71Å; L116-L163 HydrophobicContact CD2-CD2 4.15Å; L116-L163 HydrophobicContact CD2-CG 3.85Å; I119-L163 HydrophobicContact CD1-CD1 3.61Å; I119-L163 HydrophobicContact CD1-CG 4.3Å; L163-E168 CarbonylContact C-O 3.58Å; L163-E168 WeakPolarHBondContact CA-O 3.29Å; L163-V169 HydrophobicContact CD2-CB 4.32Å; L163-V169 HydrophobicContact CD2-CG2 3.72Å; L163-I303 HydrophobicContact CD1-CG2 3.94Å; L163-I303 HydrophobicContact CD2-CG2 4.08Å; L163-L306 HydrophobicContact CD1-CD2 4.14Å; L163-L307 HydrophobicContact CB-CD1 4.48Å; L163-L307 HydrophobicContact CB-CD2 4.21Å; L163-L307 HydrophobicContact CD1-CD2 3.84Å; L163-L307 HydrophobicContact CD1-CG 4.25Å |
| 164 | T | 96.1 | Very high | 94.9 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | trans | -86.4 | 159.5 | 169 | 73.1 | 0 | 0 | 0 | 0 | 111.3 | S166 N167 E168 K170 L307 | T164-S166 PolarHBondContact O-N 2.85Å; T164-S166 PolarHBondContact OG1-N 3.49Å; T164-N167 PolarHBondContact O-N 3.24Å; T164-E168 HydrophobicContact CG2-CB 4.14Å; T164-E168 PolarHBondContact N-O 3.17Å; T164-E168 VanDerWaalsContact OG1-CB 3.27Å; T164-E168 WeakPolarHBondContact OG1-CB 3.34Å; T164-E168 WeakPolarHBondContact OG1-CG 3.42Å; T164-E168 PolarHBondContact OG1-N 2.94Å; T164-E168 VanDerWaalsContact OG1-N 3.14Å; T164-E168 PolarHBondContact OG1-OE2 2.93Å; T164-K170 HydrophobicContact CG2-CD 3.98Å; T164-K170 HydrophobicContact CG2-CG 4.36Å; T164-L307 WeakPolarHBondContact O-CD1 3.2Å | ||
| 165 | L | 92.2 | Very high | 94.2 | Very high | 123 Ų | 123 | 23.3 Ų | 23.3 | 64% | 0.644 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -14.6 | 171.9 | -63.3 | 178 | 0 | 0 | 0 | 113 | N167 | L165-N167 PolarHBondContact O-N 3.31Š|
| 166 | S | 93.6 | Very high | 93.5 | Very high | 83 Ų | 83 | 24.4 Ų | 24.4 | 58% | 0.58 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 7.4 | 170.8 | -53 | 0 | 0 | 0 | 0 | 113.1 | T164 E168 | T164-S166 PolarHBondContact O-N 2.85Å; T164-S166 PolarHBondContact OG1-N 3.49Å; S166-E168 VanDerWaalsContact C-N 3.33Å |
| 167 | N | 95.8 | Very high | 92.7 | Very high | 31 Ų | 31 | 24.4 Ų | 24.4 | 17% | 0.166 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 65.1 | 31.3 | -177.7 | -40.8 | -68.8 | 0 | 0 | 0 | 113.5 | T164 L165 R300 I303 Q304 | T164-N167 PolarHBondContact O-N 3.24Å; L165-N167 PolarHBondContact O-N 3.31Å; N167-R300 HydrophobicContact CB-CG 3.75Å; N167-R300 WeakPolarHBondContact O-CD 3.27Å; N167-R300 VanDerWaalsContact O-CG 3.31Å; N167-R300 WeakPolarHBondContact O-CG 3.47Å; N167-R300 PolarHBondContact O-NH1 3.44Å; N167-I303 HydrophobicContact CB-CB 4.15Å; N167-I303 HydrophobicContact CB-CG2 3.88Å; N167-Q304 WeakPolarHBondContact OD1-CA 3.47Å; N167-Q304 PolarHBondContact OD1-N 3.23Å |
| 168 | E | 97.6 | Very high | 91.9 | Very high | 59 Ų | 59 | 22.8 Ų | 22.8 | 28% | 0.276 | 14% | 0.136 | S | C | . | . | trans | -94.4 | 146.3 | 174.4 | -51.1 | 173.9 | 131.5 | 0 | 0 | 111 | L163 T164 S166 K170 | L163-E168 CarbonylContact C-O 3.58Å; L163-E168 WeakPolarHBondContact CA-O 3.29Å; T164-E168 HydrophobicContact CG2-CB 4.14Å; T164-E168 PolarHBondContact N-O 3.17Å; T164-E168 VanDerWaalsContact OG1-CB 3.27Å; T164-E168 WeakPolarHBondContact OG1-CB 3.34Å; T164-E168 WeakPolarHBondContact OG1-CG 3.42Å; T164-E168 PolarHBondContact OG1-N 2.94Å; T164-E168 VanDerWaalsContact OG1-N 3.14Å; T164-E168 PolarHBondContact OG1-OE2 2.93Å; S166-E168 VanDerWaalsContact C-N 3.33Å; E168-K170 WeakPolarHBondContact OE2-CE 3.36Å; E168-K170 IonicContact OE2-NZ 3.31Å; E168-K170 PolarHBondContact OE2-NZ 2.9Å | ||
| 169 | V | 98.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.8 | 176.6 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | N90 F134 V135 E138 V139 I161 L163 | N90-V169 WeakPolarHBondContact CA-O 3.27Å; N90-V169 PolarHBondContact ND2-O 2.93Å; F134-V169 HydrophobicContact CD1-CG2 4.36Å; F134-V169 HydrophobicContact CE1-CG2 4.16Å; V135-V169 HydrophobicContact CG1-CG1 4.5Å; V135-V169 HydrophobicContact CG2-CG2 4.4Å; E138-V169 HydrophobicContact CB-CB 3.66Å; E138-V169 HydrophobicContact CB-CG1 4.04Å; E138-V169 HydrophobicContact CB-CG2 4.02Å; E138-V169 HydrophobicContact CG-CB 4.1Å; E138-V169 HydrophobicContact CG-CG2 4.05Å; V139-V169 HydrophobicContact CG2-CG1 4.18Å; I161-V169 HydrophobicContact CG2-CG1 3.56Å; L163-V169 HydrophobicContact CD2-CB 4.32Å; L163-V169 HydrophobicContact CD2-CG2 3.72Å |
| 170 | K | 98.3 | Very high | 90.1 | Very high | 11 Ų | 11 | 25.5 Ų | 25.5 | 5% | 0.048 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 135.2 | -177.2 | -55.5 | -161.3 | 179.1 | -172.3 | 0 | 112.1 | K89 E109 L162 T164 E168 | K89-K170 VanDerWaalsContact O-CE 3.27Å; K89-K170 WeakPolarHBondContact O-CE 3.36Å; E109-K170 VanDerWaalsContact CD-NZ 3.27Å; E109-K170 WeakPolarHBondContact OE1-CE 3.4Å; E109-K170 IonicContact OE1-NZ 3.5Å; E109-K170 PolarHBondContact OE1-NZ 3.4Å; E109-K170 WeakPolarHBondContact OE2-CD 3.39Å; E109-K170 IonicContact OE2-NZ 3.64Å; E109-K170 PolarHBondContact OE2-NZ 2.59Å; E109-K170 VanDerWaalsContact OE2-NZ 3.14Å; L162-K170 PolarHBondContact N-O 3.42Å; L162-K170 PolarHBondContact O-N 2.89Å; T164-K170 HydrophobicContact CG2-CD 3.98Å; T164-K170 HydrophobicContact CG2-CG 4.36Å; E168-K170 WeakPolarHBondContact OE2-CE 3.36Å; E168-K170 IonicContact OE2-NZ 3.31Å; E168-K170 PolarHBondContact OE2-NZ 2.9Å |
| 171 | L | 98 | Very high | 88.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 137 | 171.3 | -56.9 | -177.6 | 0 | 0 | 0 | 110.1 | N90 I91 L92 V139 L143 L146 M156 I161 F174 | N90-L171 PolarHBondContact O-N 2.92Å; I91-L171 HydrophobicContact CD1-CB 4.19Å; I91-L171 HydrophobicContact CD1-CD1 4.17Å; L92-L171 WeakPolarHBondContact CB-O 3.5Å; L92-L171 PolarHBondContact N-O 2.95Å; V139-L171 HydrophobicContact CB-CD2 4.46Å; V139-L171 HydrophobicContact CG1-CD2 4.17Å; V139-L171 HydrophobicContact CG2-CD2 4.06Å; L143-L171 HydrophobicContact CD2-CD1 4.07Å; L143-L171 HydrophobicContact CG-CD1 4.07Å; L146-L171 HydrophobicContact CD1-CD1 4.31Å; M156-L171 HydrophobicContact CE-CD2 3.77Å; M156-L171 HydrophobicContact SD-CD1 4.3Å; M156-L171 HydrophobicContact SD-CD2 4.02Å; I161-L171 HydrophobicContact CG1-CD2 4.1Å; L171-F174 HydrophobicContact CB-CZ 4.35Å; L171-F174 WeakPolarHBondContact O-CE2 3.31Å |
| 172 | A | 93.2 | Very high | 87.3 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | trans | -136.2 | 170.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L92 H153 N160 L162 | L92-A172 HydrophobicContact CB-CB 4.43Å; L92-A172 HydrophobicContact CD2-CB 3.91Å; H153-A172 PolarHBondContact CE1-O 3.36Å; H153-A172 VanDerWaalsContact CE1-O 3.31Å; H153-A172 PolarHBondContact NE2-O 3.01Å; N160-A172 PolarHBondContact O-N 3.45Å; L162-A172 HydrophobicContact CD1-CB 3.53Å; L162-A172 HydrophobicContact CG-CB 3.79Å | ||
| 173 | D | 86.7 | Confident | 85.6 | Confident | 37 Ų | 37 | 38.2 Ų | 38.2 | 20% | 0.198 | 22% | 0.22 | C | C | . | . | trans | 63 | 78.7 | -177.7 | -158.1 | 12.6 | 0 | 0 | 0 | 114.6 | K63 G175 | K63-D173 IonicContact NZ-OD1 3.01Å; K63-D173 PolarHBondContact NZ-OD1 3.04Å; D173-G175 VanDerWaalsContact C-N 3.32Å | ||
| 174 | F | 85.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -92 | 8.4 | 177.2 | -61.1 | -94.7 | 0 | 0 | 0 | 112.4 | E79 I82 L83 I91 L146 H153 L171 V176 S177 | E79-F174 HydrophobicContact CB-CB 4.29Å; E79-F174 HydrophobicContact CG-CB 4.11Å; E79-F174 PolarHBondContact OE1-N 2.91Å; I82-F174 HydrophobicContact CG2-CB 4.47Å; I82-F174 HydrophobicContact CG2-CD1 3.76Å; I82-F174 HydrophobicContact CG2-CE1 4.26Å; I82-F174 HydrophobicContact CG2-CG 4.13Å; L83-F174 HydrophobicContact CD1-CD2 4.38Å; L83-F174 HydrophobicContact CD2-CD2 3.49Å; L83-F174 VanDerWaalsContact CD2-CD2 3.49Å; L83-F174 HydrophobicContact CD2-CE2 3.59Å; L83-F174 HydrophobicContact CD2-CG 4.38Å; L83-F174 HydrophobicContact CG-CD2 3.98Å; I91-F174 HydrophobicContact CD1-CZ 4.06Å; I91-F174 HydrophobicContact CG2-CE2 4.17Å; I91-F174 HydrophobicContact CG2-CZ 3.81Å; L146-F174 HydrophobicContact CD1-CE1 3.85Å; L146-F174 HydrophobicContact CD2-CE1 3.92Å; H153-F174 AromaticContact CD2-CE1 3.7Å; L171-F174 HydrophobicContact CB-CZ 4.35Å; L171-F174 WeakPolarHBondContact O-CE2 3.31Å; F174-V176 PolarHBondContact O-N 2.7Å; F174-V176 VanDerWaalsContact O-N 3.1Å; F174-S177 WeakPolarHBondContact CA-OG 3.17Å; F174-S177 WeakPolarHBondContact CD1-OG 3.42Å; F174-S177 WeakPolarHBondContact O-CB 3.45Å; F174-S177 PolarHBondContact O-N 2.81Å | ||
| 175 | G | 76.7 | Confident | 81.4 | Confident | 19 Ų | 19 | 49.5 Ų | 49.5 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -28.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | D173 | D173-G175 VanDerWaalsContact C-N 3.32Š|
| 176 | V | 76.1 | Confident | 79.9 | Confident | 34 Ų | 34 | 48.7 Ų | 48.7 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 16.5 | 174.9 | -60.5 | 0 | 0 | 0 | 0 | 113.8 | R154 D155 F174 I191 | R154-V176 PolarHBondContact NE-O 2.6Å; R154-V176 PolarHBondContact NH2-O 3.35Å; D155-V176 HydrophobicContact CB-CG2 3.61Å; F174-V176 PolarHBondContact O-N 2.7Å; F174-V176 VanDerWaalsContact O-N 3.1Å; V176-I191 HydrophobicContact CB-CG2 3.76Å; V176-I191 HydrophobicContact CG1-CG2 3.74Å; V176-I191 HydrophobicContact CG2-CG2 4.37Å |
| 177 | S | 81.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -66.7 | 173.2 | 175.7 | -73.7 | 0 | 0 | 0 | 0 | 112.7 | L78 I152 H153 R154 F174 | L78-S177 WeakPolarHBondContact CD2-O 3.48Å; I152-S177 CarbonylContact O-C 3.55Å; I152-S177 VanDerWaalsContact O-CA 3.23Å; I152-S177 WeakPolarHBondContact O-CA 3.44Å; I152-S177 WeakPolarHBondContact O-CB 3.2Å; H153-S177 PolarHBondContact O-OG 2.99Å; R154-S177 PolarHBondContact NH2-O 2.9Å; F174-S177 WeakPolarHBondContact CA-OG 3.17Å; F174-S177 WeakPolarHBondContact CD1-OG 3.42Å; F174-S177 WeakPolarHBondContact O-CB 3.45Å; F174-S177 PolarHBondContact O-N 2.81Å | ||
| 178 | A | 79.2 | Confident | 76.7 | Confident | 6 Ų | 6 | 50 Ų | 50 | 5% | 0.05 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 129.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I151 I152 | I151-A178 CarbonylContact C-O 3.53Å; I151-A178 WeakPolarHBondContact CA-O 3.47Å; I152-A178 PolarHBondContact N-O 3.37Å; I152-A178 PolarHBondContact O-N 3.4Å |
| 179 | K | 79.9 | Confident | 75.2 | Confident | 57 Ų | 57 | 50.1 Ų | 50.1 | 25% | 0.248 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 137.1 | 164.1 | -66.2 | -179.7 | 177 | -170.3 | 0 | 110.1 | L78 D81 I82 L150 I151 R187 | L78-K179 HydrophobicContact CD1-CD 4.33Å; L78-K179 HydrophobicContact CD1-CG 4.19Å; D81-K179 IonicContact OD1-NZ 3.43Å; D81-K179 PolarHBondContact OD1-NZ 2.89Å; D81-K179 WeakPolarHBondContact OD2-CE 3.39Å; D81-K179 IonicContact OD2-NZ 3.52Å; D81-K179 PolarHBondContact OD2-NZ 2.71Å; I82-K179 HydrophobicContact CG1-CG 4.48Å; L150-K179 CarbonylContact O-C 3.59Å; I151-K179 HydrophobicContact CG1-CG 4.17Å; K179-R187 PolarHBondContact O-NH2 3.26Å |
| 180 | L | 74.5 | Confident | 73.5 | Confident | 15 Ų | 15 | 53.4 Ų | 53.4 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | trans | -96.9 | 149.9 | 167.2 | -48.3 | 167.6 | 0 | 0 | 0 | 109.8 | L150 I152 Q185 R187 W214 | L150-L180 HydrophobicContact CB-CB 4.05Å; L150-L180 PolarHBondContact O-N 2.9Å; I152-L180 HydrophobicContact CD1-CD1 4.26Å; I152-L180 HydrophobicContact CD1-CD2 4.04Å; I152-L180 HydrophobicContact CD1-CG 4.37Å; I152-L180 HydrophobicContact CG1-CD1 4.38Å; I152-L180 HydrophobicContact CG1-CG 4.49Å; L180-Q185 HydrophobicContact CB-CB 4.37Å; L180-Q185 HydrophobicContact CD2-CG 4.37Å; L180-R187 HydrophobicContact CD2-CG 3.74Å; L180-W214 HydrophobicContact CD1-CE3 3.63Å; L180-W214 HydrophobicContact CD1-CZ3 3.71Å | ||
| 181 | A | 66.7 | Low | 72.2 | Confident | 87 Ų | 87 | 56 Ų | 56 | 72% | 0.719 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -77.8 | -30.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 182 | D | 66.6 | Low | 70.7 | Confident | 79 Ų | 79 | 57.1 Ų | 57.1 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -153 | 173 | 172.3 | 67.8 | 24.5 | 0 | 0 | 0 | 110.7 | K184 Q185 | D182-K184 PolarHBondContact O-N 3.22Å; D182-K184 WeakPolarHBondContact OD1-CA 3.39Å; D182-K184 WeakPolarHBondContact OD1-CB 3.49Å; D182-K184 PolarHBondContact OD1-N 3.03Å; D182-Q185 PolarHBondContact O-N 3.06Å; D182-Q185 PolarHBondContact OD1-N 3.48Å |
| 183 | E | 62.2 | Low | 70.1 | Confident | 148 Ų | 148 | 58.6 Ų | 58.6 | 69% | 0.692 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -18.9 | 178.2 | -70.1 | 173.7 | -178.4 | 0 | 0 | 114.3 | L150 W214 | L150-E183 HydrophobicContact CD2-CB 4.49Å; L150-E183 HydrophobicContact CD2-CG 3.7Å; E183-W214 HydrophobicContact CB-CH2 4.15Å; E183-W214 HydrophobicContact CG-CH2 4.31Å |
| 184 | K | 52.1 | Low | 70.1 | Confident | 182 Ų | 182 | 58.5 Ų | 58.5 | 79% | 0.791 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -24.5 | -177.6 | -63.8 | 178.8 | -178.6 | 175.3 | 0 | 111.7 | D182 | D182-K184 PolarHBondContact O-N 3.22Å; D182-K184 WeakPolarHBondContact OD1-CA 3.39Å; D182-K184 WeakPolarHBondContact OD1-CB 3.49Å; D182-K184 PolarHBondContact OD1-N 3.03Å |
| 185 | Q | 54.7 | Low | 70.5 | Confident | 61 Ų | 61 | 60.5 Ų | 60.5 | 29% | 0.285 | 32% | 0.323 | S | S | . | . | trans | -64.8 | 134.8 | 177.3 | -174.1 | 175.6 | 59 | 0 | 0 | 110.1 | L180 D182 | L180-Q185 HydrophobicContact CB-CB 4.37Å; L180-Q185 HydrophobicContact CD2-CG 4.37Å; D182-Q185 PolarHBondContact O-N 3.06Å; D182-Q185 PolarHBondContact OD1-N 3.48Å | ||
| 186 | K | 61.3 | Low | 71.4 | Confident | 106 Ų | 106 | 60.9 Ų | 60.9 | 46% | 0.461 | 32% | 0.318 | S | S | . | . | trans | -126.8 | 155.8 | 176.4 | -66.7 | 171.8 | 162.8 | -160.5 | 0 | 108.4 | P211 Y212 N213 | K186-P211 HydrophobicContact CB-CB 3.45Å; K186-P211 VanDerWaalsContact CB-CB 3.45Å; K186-P211 HydrophobicContact CB-CG 3.51Å; K186-P211 HydrophobicContact CD-CG 4.08Å; K186-P211 WeakPolarHBondContact CD-O 3.47Å; K186-P211 HydrophobicContact CG-CG 4.45Å; K186-Y212 CarbonylContact C-O 3.54Å; K186-Y212 WeakPolarHBondContact CA-O 3.25Å; K186-Y212 WeakPolarHBondContact CB-O 3.07Å; K186-N213 HydrophobicContact CG-CB 4.4Å | ||
| 187 | R | 67 | Low | 72.2 | Confident | 78 Ų | 78 | 59.6 Ų | 59.6 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -106.9 | 150.5 | -176.9 | -64 | -61.2 | -175.4 | -176.9 | -0.1 | 111.9 | I152 K179 L180 P211 Y212 | I152-R187 HydrophobicContact CD1-CG 4.45Å; K179-R187 PolarHBondContact O-NH2 3.26Å; L180-R187 HydrophobicContact CD2-CG 3.74Å; R187-P211 CarbonylContact O-C 3.49Å; R187-P211 WeakPolarHBondContact O-CA 3.24Å; R187-P211 WeakPolarHBondContact O-CB 3.4Å; R187-Y212 HydrophobicContact CB-CE1 4.11Å; R187-Y212 HydrophobicContact CB-CE2 4.14Å; R187-Y212 PolarHBondContact N-O 3.39Å; R187-Y212 WeakPolarHBondContact O-CD1 3.46Å; R187-Y212 WeakPolarHBondContact O-CE1 3.4Å; R187-Y212 PolarHBondContact O-N 3.18Å |
| 188 | S | 55.3 | Low | 72.8 | Confident | 63 Ų | 63 | 59.6 Ų | 59.6 | 44% | 0.441 | 31% | 0.31 | S | S | . | . | trans | -123 | 11.1 | -178 | 52.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 189 | T | 65.3 | Low | 73.4 | Confident | 62 Ų | 62 | 59.6 Ų | 59.6 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | trans | -86.3 | 124.6 | -179.5 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | R154 I191 Y212 | R154-T189 PolarHBondContact NH1-OG1 3.39Å; T189-I191 PolarHBondContact O-N 3.47Å; T189-Y212 WeakPolarHBondContact O-CE1 3.34Å; T189-Y212 PolarHBondContact O-OH 3.21Å; T189-Y212 PolarHBondContact OG1-OH 3.35Å | ||
| 190 | F | 63.6 | Low | 74 | Confident | 69 Ų | 69 | 57.7 Ų | 57.7 | 30% | 0.303 | 30% | 0.301 | S | S | . | . | trans | -78.3 | 94.4 | 175.1 | -177.8 | -100.3 | 0 | 0 | 0 | 110.7 | M197 I202 E205 L244 | F190-M197 HydrophobicContact CD2-CE 3.65Å; F190-M197 HydrophobicContact CE2-CE 3.4Å; F190-M197 VanDerWaalsContact CE2-CE 3.4Å; F190-M197 HydrophobicContact CE2-SD 4.08Å; F190-M197 HydrophobicContact CG-CE 4.3Å; F190-M197 HydrophobicContact CZ-CE 3.87Å; F190-M197 HydrophobicContact CZ-SD 4.06Å; F190-I202 HydrophobicContact CE2-CB 4.4Å; F190-I202 HydrophobicContact CE2-CG1 4.35Å; F190-I202 HydrophobicContact CE2-CG2 4.27Å; F190-E205 HydrophobicContact CB-CB 3.99Å; F190-E205 HydrophobicContact CB-CG 4.22Å; F190-E205 HydrophobicContact CD2-CB 3.83Å; F190-E205 HydrophobicContact CD2-CG 4.44Å; F190-E205 HydrophobicContact CG-CB 3.98Å; F190-E205 HydrophobicContact CG-CG 4.18Å; F190-L244 HydrophobicContact CE2-CD1 4.48Å; F190-L244 HydrophobicContact CE2-CD2 4.41Å; F190-L244 HydrophobicContact CZ-CD1 3.81Å; F190-L244 HydrophobicContact CZ-CD2 4.17Å | ||
| 191 | I | 70.4 | Confident | 74.7 | Confident | 65 Ų | 65 | 57.3 Ų | 57.3 | 33% | 0.333 | 30% | 0.3 | S | S | . | . | trans | -144.3 | 140.8 | -179.1 | -52.7 | 176.4 | 0 | 0 | 0 | 108.6 | V176 T189 | V176-I191 HydrophobicContact CB-CG2 3.76Å; V176-I191 HydrophobicContact CG1-CG2 3.74Å; V176-I191 HydrophobicContact CG2-CG2 4.37Å; T189-I191 PolarHBondContact O-N 3.47Å | ||
| 192 | G | 66.5 | Low | 75.6 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 25% | 0.247 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 144.4 | 165.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P194 | G192-P194 WeakPolarHBondContact O-CD 3.28Š|
| 193 | T | 80.6 | Confident | 76.4 | Confident | 38 Ų | 38 | 52.3 Ų | 52.3 | 23% | 0.233 | 26% | 0.261 | C | S | . | . | trans | -77.4 | 119.1 | 174.7 | -51.1 | 0 | 0 | 0 | 0 | 110.6 | D155 K157 Y195 W196 M197 | D155-T193 WeakPolarHBondContact OD1-CB 3.5Å; D155-T193 PolarHBondContact OD1-N 3.36Å; D155-T193 VanDerWaalsContact OD1-N 3.15Å; D155-T193 PolarHBondContact OD1-OG1 3.37Å; K157-T193 PolarHBondContact NZ-OG1 3.05Å; K157-T193 VanDerWaalsContact NZ-OG1 3.09Å; T193-Y195 VanDerWaalsContact C-N 3.31Å; T193-Y195 PolarHBondContact O-N 2.98Å; T193-W196 HydrophobicContact CG2-CE3 3.52Å; T193-W196 HydrophobicContact CG2-CH2 4.44Å; T193-W196 HydrophobicContact CG2-CZ3 3.31Å; T193-W196 PolarHBondContact O-N 2.9Å; T193-M197 PolarHBondContact O-N 2.92Å | ||
| 194 | P | 87 | Confident | 76.9 | Confident | 35 Ų | 35 | 45.3 Ų | 45.3 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -32.9 | -163 | -34.9 | 38.4 | 0 | 0 | 0 | 118.4 | G192 W196 P240 L244 I247 | G192-P194 WeakPolarHBondContact O-CD 3.28Å; P194-W196 VanDerWaalsContact C-N 3.3Å; P194-W196 PolarHBondContact O-N 2.9Å; P194-P240 HydrophobicContact CB-CB 4.04Å; P194-P240 HydrophobicContact CG-CB 4.14Å; P194-L244 HydrophobicContact CB-CD2 4.12Å; P194-I247 WeakPolarHBondContact O-CD1 3.43Å |
| 195 | Y | 92.7 | Very high | 77.6 | Confident | 43 Ų | 43 | 42.2 Ų | 42.2 | 17% | 0.169 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -23 | -178.2 | -53.8 | -94.5 | 0 | 0 | 0 | 113.4 | T193 P233 H235 T238 P240 V243 | T193-Y195 VanDerWaalsContact C-N 3.31Å; T193-Y195 PolarHBondContact O-N 2.98Å; Y195-P233 HydrophobicContact CG-CG 4.23Å; Y195-H235 WeakPolarHBondContact CE1-O 3.36Å; Y195-T238 WeakPolarHBondContact CE1-O 3.41Å; Y195-T238 PolarHBondContact OH-O 3.46Å; Y195-P240 HydrophobicContact CE2-CG 4.25Å; Y195-V243 HydrophobicContact CD1-CB 4.39Å; Y195-V243 HydrophobicContact CD1-CG1 4.04Å; Y195-V243 HydrophobicContact CD1-CG2 3.88Å; Y195-V243 HydrophobicContact CE1-CB 4.5Å; Y195-V243 HydrophobicContact CE1-CG2 3.68Å |
| 196 | W | 96.4 | Very high | 77.8 | Confident | 26 Ų | 26 | 43.6 Ų | 43.6 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -8.3 | 179.8 | -61.8 | -106.2 | 0 | 0 | 0 | 113 | M156 K157 T193 P194 S220 I223 E227 P233 | M156-W196 VanDerWaalsContact O-CD1 3.3Å; K157-W196 HydrophobicContact CB-CD2 3.94Å; K157-W196 HydrophobicContact CB-CG 4.15Å; K157-W196 HydrophobicContact CB-CZ2 3.9Å; T193-W196 HydrophobicContact CG2-CE3 3.52Å; T193-W196 HydrophobicContact CG2-CH2 4.44Å; T193-W196 HydrophobicContact CG2-CZ3 3.31Å; T193-W196 PolarHBondContact O-N 2.9Å; P194-W196 VanDerWaalsContact C-N 3.3Å; P194-W196 PolarHBondContact O-N 2.9Å; W196-S220 WeakPolarHBondContact O-CA 3.48Å; W196-S220 PolarHBondContact O-OG 3.03Å; W196-S220 VanDerWaalsContact O-OG 3.09Å; W196-I223 HydrophobicContact CB-CB 4.43Å; W196-I223 HydrophobicContact CB-CG2 4.29Å; W196-I223 HydrophobicContact CG-CB 4.34Å; W196-I223 HydrophobicContact CG-CG2 3.84Å; W196-E227 WeakPolarHBondContact CZ2-OE1 3.46Å; W196-E227 PolarHBondContact NE1-OE2 3Å; W196-P233 HydrophobicContact CD2-CB 4.41Å; W196-P233 HydrophobicContact CH2-CB 4.35Å; W196-P233 HydrophobicContact CH2-CG 3.63Å; W196-P233 HydrophobicContact CZ2-CB 3.91Å; W196-P233 HydrophobicContact CZ2-CG 3.59Å; W196-P233 HydrophobicContact CZ3-CG 4.16Å |
| 197 | M | 93.2 | Very high | 77.8 | Confident | 7 Ų | 7 | 45 Ų | 45 | 3% | 0.034 | 24% | 0.236 | C | C | . | . | trans | -63.4 | 136.2 | -173.1 | -68 | -177.3 | 77.6 | 0 | 0 | 112.9 | F190 T193 V201 I202 W219 L244 | F190-M197 HydrophobicContact CD2-CE 3.65Å; F190-M197 HydrophobicContact CE2-CE 3.4Å; F190-M197 VanDerWaalsContact CE2-CE 3.4Å; F190-M197 HydrophobicContact CE2-SD 4.08Å; F190-M197 HydrophobicContact CG-CE 4.3Å; F190-M197 HydrophobicContact CZ-CE 3.87Å; F190-M197 HydrophobicContact CZ-SD 4.06Å; T193-M197 PolarHBondContact O-N 2.92Å; M197-V201 HydrophobicContact CE-CB 4.27Å; M197-V201 HydrophobicContact CE-CG1 3.52Å; M197-I202 HydrophobicContact CB-CD1 4.21Å; M197-I202 HydrophobicContact CB-CG1 4.03Å; M197-I202 HydrophobicContact CE-CG1 4.46Å; M197-W219 PolarHBondContact O-NE1 3.49Å; M197-L244 HydrophobicContact SD-CD2 4.09Å | ||
| 198 | A | 93.9 | Very high | 77.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -74.7 | 146.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | E200 V201 I202 A216 W219 | A198-E200 VanDerWaalsContact CB-CD 3.5Å; A198-E200 HydrophobicContact CB-CG 4.46Å; A198-E200 WeakPolarHBondContact CB-OE1 3.38Å; A198-E200 WeakPolarHBondContact CB-OE2 3.49Å; A198-E200 PolarHBondContact O-N 2.99Å; A198-E200 VanDerWaalsContact O-N 3.14Å; A198-V201 HydrophobicContact CB-CG2 4.13Å; A198-V201 WeakPolarHBondContact O-CB 3.19Å; A198-V201 PolarHBondContact O-N 3.34Å; A198-I202 PolarHBondContact O-N 3.42Å; A198-A216 HydrophobicContact CB-CB 4.12Å; A198-W219 HydrophobicContact CB-CB 3.71Å; A198-W219 HydrophobicContact CB-CG 3.74Å | ||
| 199 | P | 92.7 | Very high | 77.3 | Confident | 7 Ų | 7 | 54 Ų | 54 | 5% | 0.045 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -52.2 | -38.4 | -179.2 | -25.5 | 31.4 | 0 | 0 | 0 | 113.7 | V201 I202 N203 W219 I247 L248 K275 | P199-V201 PolarHBondContact O-N 3.45Å; P199-I202 PolarHBondContact O-N 2.84Å; P199-N203 WeakPolarHBondContact O-CB 3.25Å; P199-N203 VanDerWaalsContact O-CG 3.32Å; P199-N203 PolarHBondContact O-N 3.44Å; P199-N203 PolarHBondContact O-ND2 2.83Å; P199-W219 HydrophobicContact CG-CD2 4.48Å; P199-W219 HydrophobicContact CG-CE3 4.32Å; P199-W219 HydrophobicContact CG-CH2 3.92Å; P199-W219 HydrophobicContact CG-CZ2 4.07Å; P199-W219 HydrophobicContact CG-CZ3 4.05Å; P199-I247 HydrophobicContact CB-CG2 4.29Å; P199-I247 HydrophobicContact CG-CG2 3.77Å; P199-L248 HydrophobicContact CB-CD2 4.23Å; P199-K275 HydrophobicContact CG-CG 4.16Å |
| 200 | E | 92.3 | Very high | 77.1 | Confident | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.075 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.6 | -28.9 | 178.5 | 67.5 | -85.1 | -163.3 | 0 | 0 | 113.9 | A198 C204 A216 P277 R280 | A198-E200 VanDerWaalsContact CB-CD 3.5Å; A198-E200 HydrophobicContact CB-CG 4.46Å; A198-E200 WeakPolarHBondContact CB-OE1 3.38Å; A198-E200 WeakPolarHBondContact CB-OE2 3.49Å; A198-E200 PolarHBondContact O-N 2.99Å; A198-E200 VanDerWaalsContact O-N 3.14Å; E200-C204 PolarHBondContact O-N 3.04Å; E200-C204 PolarHBondContact O-SG 2.89Å; E200-A216 WeakPolarHBondContact OE1-CA 3.37Å; E200-P277 HydrophobicContact CB-CG 4.44Å; E200-P277 HydrophobicContact CG-CG 4.36Å; E200-R280 IonicContact OE1-CZ 3Å; E200-R280 IonicContact OE1-NH1 3.36Å; E200-R280 PolarHBondContact OE1-NH1 2.98Å; E200-R280 IonicContact OE1-NH2 2.68Å; E200-R280 PolarHBondContact OE1-NH2 3.36Å; E200-R280 IonicContact OE2-CZ 3.6Å; E200-R280 IonicContact OE2-NH1 3.25Å; E200-R280 IonicContact OE2-NH2 2.61Å; E200-R280 PolarHBondContact OE2-NH2 2.95Å |
| 201 | V | 88.6 | Confident | 77.5 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72 | -38.7 | 174.9 | -175.8 | 0 | 0 | 0 | 0 | 110 | M197 A198 P199 C204 Y212 A216 | M197-V201 HydrophobicContact CE-CB 4.27Å; M197-V201 HydrophobicContact CE-CG1 3.52Å; A198-V201 HydrophobicContact CB-CG2 4.13Å; A198-V201 WeakPolarHBondContact O-CB 3.19Å; A198-V201 PolarHBondContact O-N 3.34Å; P199-V201 PolarHBondContact O-N 3.45Å; V201-C204 WeakPolarHBondContact O-CB 3.47Å; V201-C204 PolarHBondContact O-N 3.29Å; V201-Y212 HydrophobicContact CB-CD1 4.28Å; V201-Y212 HydrophobicContact CB-CE1 4.3Å; V201-Y212 HydrophobicContact CG1-CD1 4.38Å; V201-Y212 HydrophobicContact CG1-CE1 3.9Å; V201-Y212 HydrophobicContact CG2-CD1 3.92Å; V201-Y212 HydrophobicContact CG2-CD2 3.95Å; V201-Y212 HydrophobicContact CG2-CE1 4.11Å; V201-Y212 HydrophobicContact CG2-CE2 4.13Å; V201-Y212 HydrophobicContact CG2-CG 3.85Å; V201-A216 HydrophobicContact CG2-CB 3.69Å |
| 202 | I | 85.7 | Confident | 78 | Confident | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.1 | -43.3 | 176.1 | -52.7 | 173.4 | 0 | 0 | 0 | 110.3 | F190 M197 A198 P199 C204 E205 L244 I247 L248 | F190-I202 HydrophobicContact CE2-CB 4.4Å; F190-I202 HydrophobicContact CE2-CG1 4.35Å; F190-I202 HydrophobicContact CE2-CG2 4.27Å; M197-I202 HydrophobicContact CB-CD1 4.21Å; M197-I202 HydrophobicContact CB-CG1 4.03Å; M197-I202 HydrophobicContact CE-CG1 4.46Å; A198-I202 PolarHBondContact O-N 3.42Å; P199-I202 PolarHBondContact O-N 2.84Å; I202-C204 PolarHBondContact O-N 3.46Å; I202-E205 PolarHBondContact O-N 3.37Å; I202-L244 HydrophobicContact CD1-CB 4.36Å; I202-L244 HydrophobicContact CD1-CD2 3.67Å; I202-L244 HydrophobicContact CG1-CD2 3.92Å; I202-L244 HydrophobicContact CG2-CB 4.26Å; I202-L244 HydrophobicContact CG2-CD2 4.38Å; I202-I247 HydrophobicContact CD1-CB 3.85Å; I202-I247 HydrophobicContact CD1-CD1 3.94Å; I202-I247 HydrophobicContact CD1-CG2 3.62Å; I202-L248 HydrophobicContact CB-CD2 4.19Å; I202-L248 HydrophobicContact CB-CG 4.49Å; I202-L248 HydrophobicContact CG2-CD1 3.83Å; I202-L248 HydrophobicContact CG2-CD2 4.26Å; I202-L248 HydrophobicContact CG2-CG 4.08Å |
| 203 | N | 82.9 | Confident | 79 | Confident | 53 Ų | 53 | 49.2 Ų | 49.2 | 28% | 0.283 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.5 | -20.9 | 177.8 | -76.7 | -30.9 | 0 | 0 | 0 | 113.9 | P199 E205 T206 F207 L248 | P199-N203 WeakPolarHBondContact O-CB 3.25Å; P199-N203 VanDerWaalsContact O-CG 3.32Å; P199-N203 PolarHBondContact O-N 3.44Å; P199-N203 PolarHBondContact O-ND2 2.83Å; N203-E205 VanDerWaalsContact C-N 3.3Å; N203-E205 PolarHBondContact O-N 2.83Å; N203-T206 PolarHBondContact O-N 3.14Å; N203-T206 PolarHBondContact O-OG1 2.91Å; N203-F207 WeakPolarHBondContact O-CA 3.47Å; N203-F207 WeakPolarHBondContact O-CB 3.32Å; N203-F207 PolarHBondContact O-N 3.43Å; N203-L248 VanDerWaalsContact OD1-CD2 3.26Å; N203-L248 WeakPolarHBondContact OD1-CD2 2.97Å |
| 204 | C | 73.5 | Confident | 79.6 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67 | -28.9 | 175.1 | -75 | 0 | 0 | 0 | 0 | 113.9 | E200 V201 I202 F207 A210 Y212 | E200-C204 PolarHBondContact O-N 3.04Å; E200-C204 PolarHBondContact O-SG 2.89Å; V201-C204 WeakPolarHBondContact O-CB 3.47Å; V201-C204 PolarHBondContact O-N 3.29Å; I202-C204 PolarHBondContact O-N 3.46Å; C204-F207 CarbonylContact O-C 3.44Å; C204-A210 PolarHBondContact SG-O 3.03Å; C204-Y212 VanDerWaalsContact SG-CD1 3.59Å |
| 205 | E | 66.5 | Low | 80 | Confident | 117 Ų | 117 | 48.1 Ų | 48.1 | 55% | 0.547 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.7 | -40.7 | 177.5 | -165.3 | -178.9 | -159.7 | 0 | 0 | 111 | F190 I202 N203 | F190-E205 HydrophobicContact CB-CB 3.99Å; F190-E205 HydrophobicContact CB-CG 4.22Å; F190-E205 HydrophobicContact CD2-CB 3.83Å; F190-E205 HydrophobicContact CD2-CG 4.44Å; F190-E205 HydrophobicContact CG-CB 3.98Å; F190-E205 HydrophobicContact CG-CG 4.18Å; I202-E205 PolarHBondContact O-N 3.37Å; N203-E205 VanDerWaalsContact C-N 3.3Å; N203-E205 PolarHBondContact O-N 2.83Å |
| 206 | T | 58.2 | Low | 80.2 | Confident | 90 Ų | 90 | 46.2 Ų | 46.2 | 55% | 0.552 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -85.1 | -33.3 | -179.5 | 42.9 | 0 | 0 | 0 | 0 | 113.3 | N203 | N203-T206 PolarHBondContact O-N 3.14Å; N203-T206 PolarHBondContact O-OG1 2.91Å |
| 207 | F | 61 | Low | 80.2 | Confident | 135 Ų | 135 | 45 Ų | 45 | 59% | 0.592 | 23% | 0.231 | S | C | * | . | trans | -130.6 | 93.2 | -179.5 | -55.9 | -80.4 | 0 | 0 | 0 | 110.1 | N203 C204 D209 A210 | N203-F207 WeakPolarHBondContact O-CA 3.47Å; N203-F207 WeakPolarHBondContact O-CB 3.32Å; N203-F207 PolarHBondContact O-N 3.43Å; C204-F207 CarbonylContact O-C 3.44Å; F207-D209 PolarHBondContact O-N 3.02Å; F207-A210 HydrophobicContact CB-CB 4.04Å; F207-A210 WeakPolarHBondContact O-CB 3.37Å; F207-A210 PolarHBondContact O-N 3.1Å | ||
| 208 | K | 55.5 | Low | 80.4 | Confident | 167 Ų | 167 | 44.6 Ų | 44.6 | 73% | 0.726 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.2 | -178.8 | -66 | -173.2 | 177.8 | -176.4 | 0 | 114.2 | A210 | K208-A210 VanDerWaalsContact C-N 3.34Š|
| 209 | D | 57.1 | Low | 80.7 | Confident | 163 Ų | 163 | 44.7 Ų | 44.7 | 87% | 0.872 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | 4.2 | 178.2 | -57.2 | -43.8 | 0 | 0 | 0 | 114.2 | F207 P211 | F207-D209 PolarHBondContact O-N 3.02Å; D209-P211 WeakPolarHBondContact O-CD 3.39Å |
| 210 | A | 61.7 | Low | 80.9 | Confident | 41 Ų | 41 | 44.6 Ų | 44.6 | 34% | 0.339 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -109.4 | 51 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | C204 F207 K208 | C204-A210 PolarHBondContact SG-O 3.03Å; F207-A210 HydrophobicContact CB-CB 4.04Å; F207-A210 WeakPolarHBondContact O-CB 3.37Å; F207-A210 PolarHBondContact O-N 3.1Å; K208-A210 VanDerWaalsContact C-N 3.34Å |
| 211 | P | 71.3 | Confident | 81.2 | Confident | 43 Ų | 43 | 44 Ų | 44 | 28% | 0.279 | 23% | 0.226 | S | C | . | . | trans | -70.5 | 153.6 | -167 | 34.6 | -41.2 | 0 | 0 | 0 | 114.1 | K186 R187 D209 | K186-P211 HydrophobicContact CB-CB 3.45Å; K186-P211 VanDerWaalsContact CB-CB 3.45Å; K186-P211 HydrophobicContact CB-CG 3.51Å; K186-P211 HydrophobicContact CD-CG 4.08Å; K186-P211 WeakPolarHBondContact CD-O 3.47Å; K186-P211 HydrophobicContact CG-CG 4.45Å; R187-P211 CarbonylContact O-C 3.49Å; R187-P211 WeakPolarHBondContact O-CA 3.24Å; R187-P211 WeakPolarHBondContact O-CB 3.4Å; D209-P211 WeakPolarHBondContact O-CD 3.39Å | ||
| 212 | Y | 81.1 | Confident | 81.7 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -104.3 | 163.5 | -177.2 | 65.6 | -89.7 | 0 | 0 | 0 | 114.3 | I152 R154 K186 R187 T189 V201 C204 A216 | I152-Y212 HydrophobicContact CD1-CD2 4.25Å; I152-Y212 HydrophobicContact CD1-CE2 4.22Å; R154-Y212 WeakPolarHBondContact CD-OH 3.45Å; R154-Y212 HydrophobicContact CG-CE2 4.32Å; R154-Y212 PolarHBondContact NH1-OH 3.17Å; K186-Y212 CarbonylContact C-O 3.54Å; K186-Y212 WeakPolarHBondContact CA-O 3.25Å; K186-Y212 WeakPolarHBondContact CB-O 3.07Å; R187-Y212 HydrophobicContact CB-CE1 4.11Å; R187-Y212 HydrophobicContact CB-CE2 4.14Å; R187-Y212 PolarHBondContact N-O 3.39Å; R187-Y212 WeakPolarHBondContact O-CD1 3.46Å; R187-Y212 WeakPolarHBondContact O-CE1 3.4Å; R187-Y212 PolarHBondContact O-N 3.18Å; T189-Y212 WeakPolarHBondContact O-CE1 3.34Å; T189-Y212 PolarHBondContact O-OH 3.21Å; T189-Y212 PolarHBondContact OG1-OH 3.35Å; V201-Y212 HydrophobicContact CB-CD1 4.28Å; V201-Y212 HydrophobicContact CB-CE1 4.3Å; V201-Y212 HydrophobicContact CG1-CD1 4.38Å; V201-Y212 HydrophobicContact CG1-CE1 3.9Å; V201-Y212 HydrophobicContact CG2-CD1 3.92Å; V201-Y212 HydrophobicContact CG2-CD2 3.95Å; V201-Y212 HydrophobicContact CG2-CE1 4.11Å; V201-Y212 HydrophobicContact CG2-CE2 4.13Å; V201-Y212 HydrophobicContact CG2-CG 3.85Å; C204-Y212 VanDerWaalsContact SG-CD1 3.59Å; Y212-A216 HydrophobicContact CD2-CB 3.99Å |
| 213 | N | 87.7 | Confident | 82.3 | Confident | 31 Ų | 31 | 43.3 Ų | 43.3 | 17% | 0.166 | 22% | 0.223 | C | C | . | . | trans | -125.8 | -166.3 | 173.7 | 70.1 | -4.2 | 0 | 0 | 0 | 111.1 | K186 K215 A216 | K186-N213 HydrophobicContact CG-CB 4.4Å; N213-K215 PolarHBondContact O-N 2.75Å; N213-K215 WeakPolarHBondContact OD1-CB 3.42Å; N213-K215 PolarHBondContact OD1-N 2.83Å; N213-A216 WeakPolarHBondContact O-CB 3.27Å; N213-A216 PolarHBondContact O-N 3.43Å; N213-A216 VanDerWaalsContact O-N 3.15Å | ||
| 214 | W | 93.4 | Very high | 83 | Confident | 28 Ų | 28 | 40.8 Ų | 40.8 | 11% | 0.106 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -17.2 | -178.8 | 56.3 | 88.8 | 0 | 0 | 0 | 115.5 | H147 L150 I152 L180 E183 A216 D217 | H147-W214 HydrophobicContact CB-CB 4.22Å; H147-W214 HydrophobicContact CB-CG 4.06Å; H147-W214 PolarHBondContact CE1-O 3.47Å; H147-W214 VanDerWaalsContact CE1-O 3.27Å; H147-W214 AromaticContact CG-CD1 3.77Å; H147-W214 AromaticContact CG-CG 3.87Å; H147-W214 AromaticContact ND1-CD1 3.47Å; H147-W214 AromaticContact ND1-CG 3.92Å; L150-W214 HydrophobicContact CD2-CH2 4.33Å; L150-W214 HydrophobicContact CD2-CZ3 3.97Å; I152-W214 HydrophobicContact CG1-CB 4.22Å; L180-W214 HydrophobicContact CD1-CE3 3.63Å; L180-W214 HydrophobicContact CD1-CZ3 3.71Å; E183-W214 HydrophobicContact CB-CH2 4.15Å; E183-W214 HydrophobicContact CG-CH2 4.31Å; W214-A216 PolarHBondContact O-N 3.22Å; W214-A216 VanDerWaalsContact O-N 3.13Å; W214-D217 WeakPolarHBondContact O-CB 3.44Å; W214-D217 PolarHBondContact O-N 3.3Å; W214-D217 VanDerWaalsContact O-N 3.07Å |
| 215 | K | 95.9 | Very high | 84.2 | Confident | 22 Ų | 22 | 40.8 Ų | 40.8 | 10% | 0.096 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.6 | -22.2 | 173.9 | -65.8 | -64.5 | -179 | 73 | 0 | 113.1 | N213 D217 I218 P277 R280 P281 E282 | N213-K215 PolarHBondContact O-N 2.75Å; N213-K215 WeakPolarHBondContact OD1-CB 3.42Å; N213-K215 PolarHBondContact OD1-N 2.83Å; K215-D217 PolarHBondContact O-N 3.5Å; K215-I218 HydrophobicContact CD-CG1 4.24Å; K215-I218 WeakPolarHBondContact O-CB 3.36Å; K215-I218 PolarHBondContact O-N 2.93Å; K215-P277 HydrophobicContact CB-CB 4.09Å; K215-R280 VanDerWaalsContact C-NH1 3.34Å; K215-R280 PolarHBondContact NZ-O 3.25Å; K215-R280 PolarHBondContact O-NH1 3.04Å; K215-P281 WeakPolarHBondContact CD-O 3.44Å; K215-P281 WeakPolarHBondContact CE-O 3.28Å; K215-E282 WeakPolarHBondContact CE-OE1 3.34Å; K215-E282 IonicContact NZ-OE1 3.83Å |
| 216 | A | 94.8 | Very high | 85.7 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.5 | -38.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A198 E200 V201 Y212 N213 W214 I218 W219 S220 | A198-A216 HydrophobicContact CB-CB 4.12Å; E200-A216 WeakPolarHBondContact OE1-CA 3.37Å; V201-A216 HydrophobicContact CG2-CB 3.69Å; Y212-A216 HydrophobicContact CD2-CB 3.99Å; N213-A216 WeakPolarHBondContact O-CB 3.27Å; N213-A216 PolarHBondContact O-N 3.43Å; N213-A216 VanDerWaalsContact O-N 3.15Å; W214-A216 PolarHBondContact O-N 3.22Å; W214-A216 VanDerWaalsContact O-N 3.13Å; A216-I218 PolarHBondContact O-N 2.9Å; A216-W219 PolarHBondContact O-N 2.97Å; A216-S220 PolarHBondContact O-N 3.39Å; A216-S220 VanDerWaalsContact O-N 3.17Å; A216-S220 PolarHBondContact O-OG 2.96Å; A216-S220 VanDerWaalsContact O-OG 3.12Å |
| 217 | D | 97.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64 | -29.3 | 177.7 | -63.2 | -28.2 | 0 | 0 | 0 | 112.2 | L143 H147 I152 H153 R154 M156 W214 K215 S220 F221 | L143-D217 HydrophobicContact CD2-CB 4.08Å; H147-D217 IonicContact CD2-OD2 3.76Å; H147-D217 IonicContact CE1-OD2 2.93Å; H147-D217 IonicContact NE2-OD2 3.76Å; H147-D217 PolarHBondContact NE2-OD2 3.49Å; I152-D217 WeakPolarHBondContact CG2-OD1 3.46Å; I152-D217 WeakPolarHBondContact CG2-OD2 3.42Å; H153-D217 PolarHBondContact N-OD1 3.27Å; H153-D217 PolarHBondContact N-OD2 3.46Å; R154-D217 PolarHBondContact N-OD1 2.96Å; M156-D217 HydrophobicContact CG-CB 4.41Å; W214-D217 WeakPolarHBondContact O-CB 3.44Å; W214-D217 PolarHBondContact O-N 3.3Å; W214-D217 VanDerWaalsContact O-N 3.07Å; K215-D217 PolarHBondContact O-N 3.5Å; D217-S220 PolarHBondContact O-N 3.08Å; D217-F221 VanDerWaalsContact O-CB 3.25Å; D217-F221 WeakPolarHBondContact O-CB 3.31Å; D217-F221 PolarHBondContact O-N 3.4Å |
| 218 | I | 98.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.9 | -35.7 | 179.1 | -51.4 | -60.4 | 0 | 0 | 0 | 111.4 | K215 A216 G222 T272 R280 C283 L286 | K215-I218 HydrophobicContact CD-CG1 4.24Å; K215-I218 WeakPolarHBondContact O-CB 3.36Å; K215-I218 PolarHBondContact O-N 2.93Å; A216-I218 PolarHBondContact O-N 2.9Å; I218-G222 PolarHBondContact O-N 3.28Å; I218-T272 HydrophobicContact CG2-CG2 4.29Å; I218-R280 HydrophobicContact CB-CG 4.17Å; I218-R280 HydrophobicContact CG2-CG 3.81Å; I218-C283 WeakPolarHBondContact CD1-SG 3.18Å; I218-L286 HydrophobicContact CD1-CD1 4.32Å; I218-L286 HydrophobicContact CG2-CD1 3.7Å |
| 219 | W | 98.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.9 | -47.3 | 172.2 | 172 | -77.8 | 0 | 0 | 0 | 110.6 | M197 A198 P199 A216 F221 G222 I223 I247 P252 L273 K275 | M197-W219 PolarHBondContact O-NE1 3.49Å; A198-W219 HydrophobicContact CB-CB 3.71Å; A198-W219 HydrophobicContact CB-CG 3.74Å; P199-W219 HydrophobicContact CG-CD2 4.48Å; P199-W219 HydrophobicContact CG-CE3 4.32Å; P199-W219 HydrophobicContact CG-CH2 3.92Å; P199-W219 HydrophobicContact CG-CZ2 4.07Å; P199-W219 HydrophobicContact CG-CZ3 4.05Å; A216-W219 PolarHBondContact O-N 2.97Å; W219-F221 PolarHBondContact O-N 3.01Å; W219-G222 CarbonylContact O-C 3.57Å; W219-G222 WeakPolarHBondContact O-CA 3.47Å; W219-G222 PolarHBondContact O-N 3.47Å; W219-I223 HydrophobicContact CZ2-CD1 4.48Å; W219-I223 PolarHBondContact O-N 2.98Å; W219-I247 HydrophobicContact CZ2-CG2 4.01Å; W219-P252 HydrophobicContact CH2-CB 4.29Å; W219-P252 HydrophobicContact CZ3-CB 4.46Å; W219-L273 HydrophobicContact CD2-CD2 3.93Å; W219-L273 HydrophobicContact CE3-CD2 4.06Å; W219-L273 HydrophobicContact CG-CD2 4.34Å; W219-L273 HydrophobicContact CZ3-CB 4.39Å; W219-L273 HydrophobicContact CZ3-CD2 4.41Å; W219-L273 WeakPolarHBondContact CZ3-O 3.32Å; W219-K275 HydrophobicContact CH2-CG 4.28Å; W219-K275 HydrophobicContact CZ3-CG 4.13Å |
| 220 | S | 98 | Very high | 93.1 | Very high | 6 Ų | 6 | 12 Ų | 12 | 4% | 0.042 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.7 | -38.1 | 177.5 | -52.2 | 0 | 0 | 0 | 0 | 111.7 | W196 A216 D217 I223 T224 | W196-S220 WeakPolarHBondContact O-CA 3.48Å; W196-S220 PolarHBondContact O-OG 3.03Å; W196-S220 VanDerWaalsContact O-OG 3.09Å; A216-S220 PolarHBondContact O-N 3.39Å; A216-S220 VanDerWaalsContact O-N 3.17Å; A216-S220 PolarHBondContact O-OG 2.96Å; A216-S220 VanDerWaalsContact O-OG 3.12Å; D217-S220 PolarHBondContact O-N 3.08Å; S220-I223 PolarHBondContact O-N 3.32Å; S220-T224 PolarHBondContact O-N 3.31Å; S220-T224 PolarHBondContact O-OG1 3.3Å |
| 221 | F | 98.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.009 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 169 | 172.4 | -115.2 | 0 | 0 | 0 | 112.1 | V139 L140 L143 D217 W219 I223 T224 L225 F268 T272 | V139-F221 HydrophobicContact CB-CE2 4.1Å; V139-F221 HydrophobicContact CG1-CD2 3.58Å; V139-F221 HydrophobicContact CG1-CE2 3.65Å; L140-F221 HydrophobicContact CD1-CE1 4.35Å; L140-F221 HydrophobicContact CD1-CZ 4.47Å; L140-F221 HydrophobicContact CD2-CD1 4.18Å; L140-F221 HydrophobicContact CD2-CE1 3.86Å; L140-F221 HydrophobicContact CD2-CZ 4.36Å; L140-F221 HydrophobicContact CG-CE1 4.04Å; L140-F221 HydrophobicContact CG-CZ 4.08Å; L143-F221 HydrophobicContact CD1-CB 4.33Å; D217-F221 VanDerWaalsContact O-CB 3.25Å; D217-F221 WeakPolarHBondContact O-CB 3.31Å; D217-F221 PolarHBondContact O-N 3.4Å; W219-F221 PolarHBondContact O-N 3.01Å; F221-I223 VanDerWaalsContact C-N 3.32Å; F221-I223 PolarHBondContact O-N 2.78Å; F221-T224 CarbonylContact O-C 3.59Å; F221-T224 WeakPolarHBondContact O-CA 3.46Å; F221-T224 VanDerWaalsContact O-CB 3.24Å; F221-T224 WeakPolarHBondContact O-CB 3.43Å; F221-T224 PolarHBondContact O-N 2.84Å; F221-L225 HydrophobicContact CD1-CD1 4.46Å; F221-L225 HydrophobicContact CE1-CD1 3.98Å; F221-L225 HydrophobicContact CE1-CD2 4.41Å; F221-L225 HydrophobicContact CE1-CG 4.31Å; F221-L225 HydrophobicContact CE2-CD2 3.84Å; F221-L225 HydrophobicContact CE2-CG 4.24Å; F221-L225 HydrophobicContact CZ-CD1 4.14Å; F221-L225 HydrophobicContact CZ-CD2 3.74Å; F221-L225 HydrophobicContact CZ-CG 4.09Å; F221-L225 WeakPolarHBondContact O-CG 3.27Å; F221-L225 PolarHBondContact O-N 3.07Å; F221-F268 AromaticContact CE1-CE1 3.98Å; F221-F268 HydrophobicContact CE1-CE1 3.98Å; F221-F268 AromaticContact CE1-CZ 3.87Å; F221-F268 HydrophobicContact CE1-CZ 3.87Å; F221-F268 HydrophobicContact CZ-CE1 4.1Å; F221-F268 HydrophobicContact CZ-CZ 4.11Å; F221-T272 HydrophobicContact CD1-CG2 4.03Å; F221-T272 HydrophobicContact CE1-CG2 4.18Å |
| 222 | G | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.2 | -40.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I218 W219 T224 L225 I226 L269 T272 | I218-G222 PolarHBondContact O-N 3.28Å; W219-G222 CarbonylContact O-C 3.57Å; W219-G222 WeakPolarHBondContact O-CA 3.47Å; W219-G222 PolarHBondContact O-N 3.47Å; G222-T224 VanDerWaalsContact C-N 3.35Å; G222-L225 WeakPolarHBondContact O-CB 3.39Å; G222-L225 PolarHBondContact O-N 3.41Å; G222-I226 PolarHBondContact O-N 3.45Å; G222-L269 VanDerWaalsContact O-CD1 3.25Å; G222-L269 WeakPolarHBondContact O-CD1 3.41Å; G222-T272 WeakPolarHBondContact CA-OG1 3.41Å |
| 223 | I | 98.5 | Very high | 96.4 | Very high | 3 Ų | 3 | 15.8 Ų | 15.8 | 2% | 0.015 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.9 | -40 | 171.9 | -59.9 | -62 | 0 | 0 | 0 | 110.9 | W196 W219 S220 F221 L225 I226 E227 P233 P234 P253 L273 | W196-I223 HydrophobicContact CB-CB 4.43Å; W196-I223 HydrophobicContact CB-CG2 4.29Å; W196-I223 HydrophobicContact CG-CB 4.34Å; W196-I223 HydrophobicContact CG-CG2 3.84Å; W219-I223 HydrophobicContact CZ2-CD1 4.48Å; W219-I223 PolarHBondContact O-N 2.98Å; S220-I223 PolarHBondContact O-N 3.32Å; F221-I223 VanDerWaalsContact C-N 3.32Å; F221-I223 PolarHBondContact O-N 2.78Å; I223-L225 VanDerWaalsContact C-N 3.28Å; I223-L225 PolarHBondContact O-N 3.14Å; I223-I226 PolarHBondContact O-N 3.13Å; I223-I226 VanDerWaalsContact O-N 3.14Å; I223-E227 PolarHBondContact O-N 2.89Å; I223-P233 HydrophobicContact CG2-CB 3.95Å; I223-P234 HydrophobicContact CD1-CG 4.21Å; I223-P253 HydrophobicContact CD1-CG 3.56Å; I223-L273 HydrophobicContact CD1-CD2 3.78Å; I223-L273 HydrophobicContact CG1-CD2 4.07Å |
| 224 | T | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61 | -35 | 174.7 | -51.8 | 0 | 0 | 0 | 0 | 111.6 | M156 K157 A158 I161 S220 F221 G222 I226 E227 L228 | M156-T224 PolarHBondContact O-OG1 2.91Å; K157-T224 WeakPolarHBondContact CA-OG1 3.16Å; A158-T224 HydrophobicContact CB-CG2 4.31Å; I161-T224 HydrophobicContact CD1-CG2 3.76Å; S220-T224 PolarHBondContact O-N 3.31Å; S220-T224 PolarHBondContact O-OG1 3.3Å; F221-T224 CarbonylContact O-C 3.59Å; F221-T224 WeakPolarHBondContact O-CA 3.46Å; F221-T224 VanDerWaalsContact O-CB 3.24Å; F221-T224 WeakPolarHBondContact O-CB 3.43Å; F221-T224 PolarHBondContact O-N 2.84Å; G222-T224 VanDerWaalsContact C-N 3.35Å; T224-I226 VanDerWaalsContact C-N 3.34Å; T224-I226 PolarHBondContact O-N 3.13Å; T224-E227 WeakPolarHBondContact O-CB 3.31Å; T224-E227 PolarHBondContact O-N 2.94Å; T224-L228 HydrophobicContact CG2-CD1 4.48Å; T224-L228 HydrophobicContact CG2-CG 4.32Å; T224-L228 VanDerWaalsContact O-CG 3.31Å; T224-L228 WeakPolarHBondContact O-CG 3.36Å; T224-L228 PolarHBondContact O-N 3.29Å |
| 225 | L | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 174.6 | -65.7 | 176.4 | 0 | 0 | 0 | 112.3 | I132 S136 F221 G222 I223 A229 F265 F268 L269 T272 | I132-L225 HydrophobicContact CG2-CD2 3.93Å; S136-L225 VanDerWaalsContact OG-CD2 3.26Å; S136-L225 WeakPolarHBondContact OG-CD2 3.17Å; F221-L225 HydrophobicContact CD1-CD1 4.46Å; F221-L225 HydrophobicContact CE1-CD1 3.98Å; F221-L225 HydrophobicContact CE1-CD2 4.41Å; F221-L225 HydrophobicContact CE1-CG 4.31Å; F221-L225 HydrophobicContact CE2-CD2 3.84Å; F221-L225 HydrophobicContact CE2-CG 4.24Å; F221-L225 HydrophobicContact CZ-CD1 4.14Å; F221-L225 HydrophobicContact CZ-CD2 3.74Å; F221-L225 HydrophobicContact CZ-CG 4.09Å; F221-L225 WeakPolarHBondContact O-CG 3.27Å; F221-L225 PolarHBondContact O-N 3.07Å; G222-L225 WeakPolarHBondContact O-CB 3.39Å; G222-L225 PolarHBondContact O-N 3.41Å; I223-L225 VanDerWaalsContact C-N 3.28Å; I223-L225 PolarHBondContact O-N 3.14Å; L225-A229 VanDerWaalsContact O-CB 3.3Å; L225-A229 WeakPolarHBondContact O-CB 3.49Å; L225-A229 PolarHBondContact O-N 3.05Å; L225-A229 VanDerWaalsContact O-N 3.11Å; L225-F265 HydrophobicContact CB-CE2 4.15Å; L225-F265 HydrophobicContact CB-CZ 4.16Å; L225-F265 HydrophobicContact CD1-CE2 4.32Å; L225-F265 HydrophobicContact CD2-CE2 4.29Å; L225-F265 HydrophobicContact CG-CE2 4.49Å; L225-F268 HydrophobicContact CD1-CD1 3.74Å; L225-F268 HydrophobicContact CD1-CE1 3.55Å; L225-F268 HydrophobicContact CD2-CE1 4.36Å; L225-L269 HydrophobicContact CB-CD1 3.95Å; L225-L269 HydrophobicContact CD1-CD1 4.19Å; L225-T272 HydrophobicContact CD1-CG2 4.41Å |
| 226 | I | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.2 | -42.8 | 172.9 | -60.5 | 176.2 | 0 | 0 | 0 | 110.1 | G222 I223 T224 L228 A229 Q230 P234 P253 L255 L269 L273 | G222-I226 PolarHBondContact O-N 3.45Å; I223-I226 PolarHBondContact O-N 3.13Å; I223-I226 VanDerWaalsContact O-N 3.14Å; T224-I226 VanDerWaalsContact C-N 3.34Å; T224-I226 PolarHBondContact O-N 3.13Å; I226-L228 PolarHBondContact O-N 3.33Å; I226-A229 CarbonylContact O-C 3.54Å; I226-A229 PolarHBondContact O-N 3.07Å; I226-A229 VanDerWaalsContact O-N 3.13Å; I226-Q230 HydrophobicContact CG2-CG 4.23Å; I226-Q230 WeakPolarHBondContact O-CB 3.47Å; I226-Q230 PolarHBondContact O-N 3Å; I226-P234 HydrophobicContact CB-CG 4.32Å; I226-P234 HydrophobicContact CD1-CG 3.82Å; I226-P234 HydrophobicContact CG2-CG 4Å; I226-P253 HydrophobicContact CD1-CB 4.11Å; I226-P253 HydrophobicContact CD1-CG 4.23Å; I226-L255 HydrophobicContact CG1-CD2 4.26Å; I226-L255 HydrophobicContact CG2-CD2 4.45Å; I226-L269 HydrophobicContact CD1-CD1 4.4Å; I226-L269 HydrophobicContact CD1-CD2 4.35Å; I226-L269 HydrophobicContact CG1-CD1 3.94Å; I226-L269 HydrophobicContact CG1-CD2 3.91Å; I226-L273 HydrophobicContact CD1-CD1 3.79Å |
| 227 | E | 98.1 | Very high | 95.4 | Very high | 9 Ų | 9 | 24 Ų | 24 | 4% | 0.042 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.5 | -44 | 175.7 | -179.1 | -171.4 | -168.4 | 0 | 0 | 112.5 | A158 W196 I223 T224 A229 Q230 K231 R232 | A158-E227 HydrophobicContact CB-CG 3.99Å; A158-E227 WeakPolarHBondContact CB-OE1 3.3Å; A158-E227 WeakPolarHBondContact CB-OE2 3.3Å; A158-E227 PolarHBondContact N-OE2 2.96Å; W196-E227 WeakPolarHBondContact CZ2-OE1 3.46Å; W196-E227 PolarHBondContact NE1-OE2 3Å; I223-E227 PolarHBondContact O-N 2.89Å; T224-E227 WeakPolarHBondContact O-CB 3.31Å; T224-E227 PolarHBondContact O-N 2.94Å; E227-A229 VanDerWaalsContact C-N 3.3Å; E227-A229 PolarHBondContact O-N 2.9Å; E227-Q230 PolarHBondContact O-N 3.39Å; E227-K231 CarbonylContact O-C 3.58Å; E227-K231 VanDerWaalsContact O-C 3.29Å; E227-K231 WeakPolarHBondContact O-CA 3.41Å; E227-K231 PolarHBondContact O-N 2.92Å; E227-R232 WeakPolarHBondContact CA-O 3.42Å; E227-R232 PolarHBondContact O-N 2.98Å |
| 228 | L | 98.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.1 | -32.5 | 175.8 | -63.5 | 178.5 | 0 | 0 | 0 | 112.3 | L116 M120 P126 L127 I132 V135 A158 T224 I226 | L116-L228 HydrophobicContact CB-CD2 3.93Å; L116-L228 HydrophobicContact CD1-CD1 4.34Å; L116-L228 HydrophobicContact CD1-CD2 3.74Å; L116-L228 HydrophobicContact CG-CD2 4.48Å; M120-L228 HydrophobicContact CE-CD2 3.94Å; M120-L228 HydrophobicContact SD-CD2 4.34Å; P126-L228 WeakPolarHBondContact CB-O 3.26Å; L127-L228 HydrophobicContact CD1-CB 4.4Å; L127-L228 HydrophobicContact CD1-CD1 4.43Å; L127-L228 HydrophobicContact CD1-CD2 3.85Å; L127-L228 HydrophobicContact CD1-CG 4.44Å; L127-L228 HydrophobicContact CG-CD2 4.39Å; L127-L228 PolarHBondContact N-O 3.46Å; I132-L228 HydrophobicContact CD1-CB 4.04Å; I132-L228 HydrophobicContact CG1-CB 3.91Å; V135-L228 HydrophobicContact CG1-CD1 3.97Å; A158-L228 HydrophobicContact CB-CD2 3.67Å; T224-L228 HydrophobicContact CG2-CD1 4.48Å; T224-L228 HydrophobicContact CG2-CG 4.32Å; T224-L228 VanDerWaalsContact O-CG 3.31Å; T224-L228 WeakPolarHBondContact O-CG 3.36Å; T224-L228 PolarHBondContact O-N 3.29Å; I226-L228 PolarHBondContact O-N 3.33Å |
| 229 | A | 96.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 3% | 0.033 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -79 | -21.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | P126 I132 L225 I226 E227 L255 W261 F265 | P126-A229 VanDerWaalsContact CB-C 3.5Å; P126-A229 VanDerWaalsContact CB-O 3.27Å; P126-A229 WeakPolarHBondContact CB-O 3.49Å; I132-A229 HydrophobicContact CD1-CB 4Å; L225-A229 VanDerWaalsContact O-CB 3.3Å; L225-A229 WeakPolarHBondContact O-CB 3.49Å; L225-A229 PolarHBondContact O-N 3.05Å; L225-A229 VanDerWaalsContact O-N 3.11Å; I226-A229 CarbonylContact O-C 3.54Å; I226-A229 PolarHBondContact O-N 3.07Å; I226-A229 VanDerWaalsContact O-N 3.13Å; E227-A229 VanDerWaalsContact C-N 3.3Å; E227-A229 PolarHBondContact O-N 2.9Å; A229-L255 HydrophobicContact CB-CD2 3.81Å; A229-W261 HydrophobicContact CB-CH2 3.6Å; A229-W261 HydrophobicContact CB-CZ2 3.49Å; A229-W261 VanDerWaalsContact CB-CZ2 3.49Å; A229-W261 HydrophobicContact CB-CZ3 4.33Å; A229-F265 HydrophobicContact CB-CE1 4.26Å; A229-F265 HydrophobicContact CB-CZ 4.43Å |
| 230 | Q | 94 | Very high | 92.8 | Very high | 53 Ų | 53 | 32.4 Ų | 32.4 | 25% | 0.248 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -133.8 | 10.4 | -171 | -59.3 | 178.5 | 7.6 | 0 | 0 | 113.8 | I226 E227 R232 L255 S256 | I226-Q230 HydrophobicContact CG2-CG 4.23Å; I226-Q230 WeakPolarHBondContact O-CB 3.47Å; I226-Q230 PolarHBondContact O-N 3Å; E227-Q230 PolarHBondContact O-N 3.39Å; Q230-R232 PolarHBondContact O-N 3.44Å; Q230-L255 VanDerWaalsContact NE2-CA 3.34Å; Q230-S256 PolarHBondContact NE2-OG 3.02Å; Q230-S256 PolarHBondContact OE1-OG 2.7Å |
| 231 | K | 93 | Very high | 92 | Very high | 38 Ų | 38 | 36.7 Ų | 36.7 | 17% | 0.165 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 61.3 | -11.7 | -171.6 | -48.9 | 173.2 | 64.9 | -169.3 | 0 | 116.5 | M120 E121 E124 P126 E227 | M120-K231 HydrophobicContact CB-CG 4.34Å; M120-K231 VanDerWaalsContact O-CE 3.31Å; M120-K231 WeakPolarHBondContact O-CE 3.37Å; E121-K231 IonicContact OE2-NZ 3.3Å; E121-K231 PolarHBondContact OE2-NZ 2.85Å; E124-K231 VanDerWaalsContact C-NZ 3.26Å; E124-K231 WeakPolarHBondContact O-CE 3.25Å; E124-K231 PolarHBondContact O-NZ 3.35Å; P126-K231 HydrophobicContact CB-CG 4.02Å; E227-K231 CarbonylContact O-C 3.58Å; E227-K231 VanDerWaalsContact O-C 3.29Å; E227-K231 WeakPolarHBondContact O-CA 3.41Å; E227-K231 PolarHBondContact O-N 2.92Å |
| 232 | R | 93.5 | Very high | 91.3 | Very high | 119 Ų | 119 | 45.2 Ų | 45.2 | 45% | 0.449 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -146.2 | 150.2 | -173.1 | -60.7 | -171.9 | -175.8 | 118 | 4 | 110.9 | E227 Q230 N236 | E227-R232 WeakPolarHBondContact CA-O 3.42Å; E227-R232 PolarHBondContact O-N 2.98Å; Q230-R232 PolarHBondContact O-N 3.44Å; R232-N236 HydrophobicContact CB-CB 4.13Å; R232-N236 WeakPolarHBondContact CB-ND2 3.45Å; R232-N236 WeakPolarHBondContact CD-OD1 3.39Å |
| 233 | P | 95.1 | Very high | 90.8 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 7% | 0.071 | 24% | 0.237 | C | C | . | . | trans | -67.7 | 162.2 | 174.7 | 32.2 | -39.1 | 0 | 0 | 0 | 111.6 | Y195 W196 I223 N236 | Y195-P233 HydrophobicContact CG-CG 4.23Å; W196-P233 HydrophobicContact CD2-CB 4.41Å; W196-P233 HydrophobicContact CH2-CB 4.35Å; W196-P233 HydrophobicContact CH2-CG 3.63Å; W196-P233 HydrophobicContact CZ2-CB 3.91Å; W196-P233 HydrophobicContact CZ2-CG 3.59Å; W196-P233 HydrophobicContact CZ3-CG 4.16Å; I223-P233 HydrophobicContact CG2-CB 3.95Å; P233-N236 HydrophobicContact CG-CB 4.15Å; P233-N236 WeakPolarHBondContact O-CB 3.41Å; P233-N236 PolarHBondContact O-N 3.43Å; P233-N236 PolarHBondContact O-ND2 2.94Å | ||
| 234 | P | 93.1 | Very high | 90.3 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 10% | 0.104 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 140.2 | 169.8 | -24.3 | 34.5 | 0 | 0 | 0 | 111.7 | I223 I226 N236 P253 | I223-P234 HydrophobicContact CD1-CG 4.21Å; I226-P234 HydrophobicContact CB-CG 4.32Å; I226-P234 HydrophobicContact CD1-CG 3.82Å; I226-P234 HydrophobicContact CG2-CG 4Å; P234-N236 PolarHBondContact O-N 3.41Å; P234-N236 VanDerWaalsContact O-N 3.16Å; P234-P253 HydrophobicContact CB-CB 3.76Å; P234-P253 HydrophobicContact CB-CG 4.23Å; P234-P253 HydrophobicContact CG-CB 3.63Å; P234-P253 HydrophobicContact CG-CG 3.84Å |
| 235 | H | 89.4 | Confident | 89.7 | Confident | 74 Ų | 74 | 50.6 Ų | 50.6 | 34% | 0.343 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 23.2 | 177 | -45.3 | -44.1 | 0 | 0 | 0 | 115.5 | Y195 A237 T238 V243 | Y195-H235 WeakPolarHBondContact CE1-O 3.36Å; H235-A237 PolarHBondContact O-N 2.76Å; H235-A237 VanDerWaalsContact O-N 3.1Å; H235-T238 WeakPolarHBondContact O-CA 3.38Å; H235-T238 WeakPolarHBondContact O-CB 3.48Å; H235-T238 PolarHBondContact O-N 2.94Å; H235-V243 HydrophobicContact CB-CG2 3.89Å |
| 236 | N | 85.4 | Confident | 89.3 | Confident | 68 Ų | 68 | 54.1 Ų | 54.1 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -35.5 | -179.9 | 61.4 | 84.2 | 0 | 0 | 0 | 114.8 | R232 P233 P234 T238 | R232-N236 HydrophobicContact CB-CB 4.13Å; R232-N236 WeakPolarHBondContact CB-ND2 3.45Å; R232-N236 WeakPolarHBondContact CD-OD1 3.39Å; P233-N236 HydrophobicContact CG-CB 4.15Å; P233-N236 WeakPolarHBondContact O-CB 3.41Å; P233-N236 PolarHBondContact O-N 3.43Å; P233-N236 PolarHBondContact O-ND2 2.94Å; P234-N236 PolarHBondContact O-N 3.41Å; P234-N236 VanDerWaalsContact O-N 3.16Å; N236-T238 VanDerWaalsContact C-N 3.29Å; N236-T238 PolarHBondContact O-N 3.21Å |
| 237 | A | 83.7 | Confident | 89 | Confident | 98 Ų | 98 | 54.9 Ų | 54.9 | 81% | 0.81 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | H235 | H235-A237 PolarHBondContact O-N 2.76Å; H235-A237 VanDerWaalsContact O-N 3.1Å |
| 238 | T | 79.4 | Confident | 88.6 | Confident | 33 Ų | 33 | 56.9 Ų | 56.9 | 20% | 0.202 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -85.2 | 142.3 | 177.8 | -58.6 | 0 | 0 | 0 | 0 | 110.6 | Y195 H235 N236 R242 V243 | Y195-T238 WeakPolarHBondContact CE1-O 3.41Å; Y195-T238 PolarHBondContact OH-O 3.46Å; H235-T238 WeakPolarHBondContact O-CA 3.38Å; H235-T238 WeakPolarHBondContact O-CB 3.48Å; H235-T238 PolarHBondContact O-N 2.94Å; N236-T238 VanDerWaalsContact C-N 3.29Å; N236-T238 PolarHBondContact O-N 3.21Å; T238-R242 HydrophobicContact CG2-CB 3.6Å; T238-V243 HydrophobicContact CG2-CG2 3.74Å |
| 239 | N | 78.8 | Confident | 88.1 | Confident | 96 Ų | 96 | 65 Ų | 65 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | trans | -55.4 | 135.1 | 173.3 | 176.4 | -73.7 | 0 | 0 | 0 | 111.5 | T241 R242 V243 | N239-T241 VanDerWaalsContact C-N 3.31Å; N239-T241 PolarHBondContact O-N 2.99Å; N239-T241 VanDerWaalsContact O-N 3.13Å; N239-T241 PolarHBondContact OD1-N 3.02Å; N239-R242 WeakPolarHBondContact O-CB 3.49Å; N239-R242 PolarHBondContact O-N 3.35Å; N239-V243 PolarHBondContact O-N 3.49Å; N239-V243 VanDerWaalsContact O-N 3.15Å | ||
| 240 | P | 81.7 | Confident | 87.8 | Confident | 50 Ų | 50 | 67.4 Ų | 67.4 | 33% | 0.325 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -48.8 | -43.3 | -175.8 | -31 | 35 | 0 | 0 | 0 | 115.2 | P194 Y195 R242 V243 L244 | P194-P240 HydrophobicContact CB-CB 4.04Å; P194-P240 HydrophobicContact CG-CB 4.14Å; Y195-P240 HydrophobicContact CE2-CG 4.25Å; P240-R242 VanDerWaalsContact C-N 3.31Å; P240-R242 PolarHBondContact O-N 2.85Å; P240-V243 WeakPolarHBondContact O-CB 3.41Å; P240-V243 PolarHBondContact O-N 3.49Å; P240-L244 PolarHBondContact O-N 2.94Å; P240-L244 VanDerWaalsContact O-N 3.09Å |
| 241 | T | 80.7 | Confident | 87.7 | Confident | 96 Ų | 96 | 71.8 Ų | 71.8 | 59% | 0.589 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.6 | -34.8 | -179.4 | -50.4 | 0 | 0 | 0 | 0 | 112.3 | N239 L245 | N239-T241 VanDerWaalsContact C-N 3.31Å; N239-T241 PolarHBondContact O-N 2.99Å; N239-T241 VanDerWaalsContact O-N 3.13Å; N239-T241 PolarHBondContact OD1-N 3.02Å; T241-L245 PolarHBondContact O-N 3.4Å |
| 242 | R | 84.6 | Confident | 87.8 | Confident | 181 Ų | 181 | 72.4 Ų | 72.4 | 68% | 0.683 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -72.3 | -29.7 | 173.4 | -71.9 | -173.8 | -179.6 | -174.4 | 1.2 | 111.9 | T238 N239 P240 L245 K246 | T238-R242 HydrophobicContact CG2-CB 3.6Å; N239-R242 WeakPolarHBondContact O-CB 3.49Å; N239-R242 PolarHBondContact O-N 3.35Å; P240-R242 VanDerWaalsContact C-N 3.31Å; P240-R242 PolarHBondContact O-N 2.85Å; R242-L245 PolarHBondContact O-N 3.43Å; R242-K246 PolarHBondContact O-N 3.31Å; R242-K246 VanDerWaalsContact O-N 3.07Å |
| 243 | V | 87.5 | Confident | 87.8 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.3 | -42.2 | 175.4 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | Y195 H235 T238 N239 P240 L245 K246 I247 | Y195-V243 HydrophobicContact CD1-CB 4.39Å; Y195-V243 HydrophobicContact CD1-CG1 4.04Å; Y195-V243 HydrophobicContact CD1-CG2 3.88Å; Y195-V243 HydrophobicContact CE1-CB 4.5Å; Y195-V243 HydrophobicContact CE1-CG2 3.68Å; H235-V243 HydrophobicContact CB-CG2 3.89Å; T238-V243 HydrophobicContact CG2-CG2 3.74Å; N239-V243 PolarHBondContact O-N 3.49Å; N239-V243 VanDerWaalsContact O-N 3.15Å; P240-V243 WeakPolarHBondContact O-CB 3.41Å; P240-V243 PolarHBondContact O-N 3.49Å; V243-L245 VanDerWaalsContact C-N 3.28Å; V243-L245 PolarHBondContact O-N 3.5Å; V243-K246 WeakPolarHBondContact O-CB 3.47Å; V243-K246 PolarHBondContact O-N 3.25Å; V243-I247 HydrophobicContact CG1-CD1 3.84Å; V243-I247 HydrophobicContact CG1-CG1 4.31Å; V243-I247 WeakPolarHBondContact O-CG1 3.37Å; V243-I247 PolarHBondContact O-N 2.98Å |
| 244 | L | 87.9 | Confident | 87.8 | Confident | 25 Ų | 25 | 72.3 Ų | 72.3 | 13% | 0.131 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -55.3 | -43.8 | 173.7 | -59.3 | 174.6 | 0 | 0 | 0 | 111.8 | F190 P194 M197 I202 P240 I247 L248 | F190-L244 HydrophobicContact CE2-CD1 4.48Å; F190-L244 HydrophobicContact CE2-CD2 4.41Å; F190-L244 HydrophobicContact CZ-CD1 3.81Å; F190-L244 HydrophobicContact CZ-CD2 4.17Å; P194-L244 HydrophobicContact CB-CD2 4.12Å; M197-L244 HydrophobicContact SD-CD2 4.09Å; I202-L244 HydrophobicContact CD1-CB 4.36Å; I202-L244 HydrophobicContact CD1-CD2 3.67Å; I202-L244 HydrophobicContact CG1-CD2 3.92Å; I202-L244 HydrophobicContact CG2-CB 4.26Å; I202-L244 HydrophobicContact CG2-CD2 4.38Å; P240-L244 PolarHBondContact O-N 2.94Å; P240-L244 VanDerWaalsContact O-N 3.09Å; L244-I247 PolarHBondContact O-N 3.33Å; L244-L248 WeakPolarHBondContact O-CG 3.29Å; L244-L248 PolarHBondContact O-N 2.93Å |
| 245 | L | 86.3 | Confident | 87.8 | Confident | 90 Ų | 90 | 71.7 Ų | 71.7 | 47% | 0.471 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 176.1 | -67.8 | 175.6 | 0 | 0 | 0 | 113 | T241 R242 V243 K249 | T241-L245 PolarHBondContact O-N 3.4Å; R242-L245 PolarHBondContact O-N 3.43Å; V243-L245 VanDerWaalsContact C-N 3.28Å; V243-L245 PolarHBondContact O-N 3.5Å; L245-K249 WeakPolarHBondContact O-CB 3.4Å; L245-K249 WeakPolarHBondContact O-CG 3.36Å; L245-K249 PolarHBondContact O-N 2.85Å |
| 246 | K | 89.1 | Confident | 87.8 | Confident | 74 Ų | 74 | 72.7 Ų | 72.7 | 32% | 0.322 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.6 | -47.5 | 174.5 | -75 | -176.1 | 174.6 | -176.9 | 0 | 111.4 | R242 V243 L248 K249 S250 | R242-K246 PolarHBondContact O-N 3.31Å; R242-K246 VanDerWaalsContact O-N 3.07Å; V243-K246 WeakPolarHBondContact O-CB 3.47Å; V243-K246 PolarHBondContact O-N 3.25Å; K246-L248 PolarHBondContact O-N 3.3Å; K246-K249 PolarHBondContact O-N 3.27Å; K246-S250 WeakPolarHBondContact O-CA 3.48Å; K246-S250 VanDerWaalsContact O-CB 3.28Å; K246-S250 WeakPolarHBondContact O-CB 3.39Å; K246-S250 PolarHBondContact O-N 3.03Å |
| 247 | I | 91.8 | Very high | 88 | Confident | 16 Ų | 16 | 73.2 Ų | 73.2 | 8% | 0.082 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -55.5 | -41.3 | 178.2 | -67.9 | 163.6 | 0 | 0 | 0 | 111.2 | P194 P199 I202 W219 V243 L244 K275 | P194-I247 WeakPolarHBondContact O-CD1 3.43Å; P199-I247 HydrophobicContact CB-CG2 4.29Å; P199-I247 HydrophobicContact CG-CG2 3.77Å; I202-I247 HydrophobicContact CD1-CB 3.85Å; I202-I247 HydrophobicContact CD1-CD1 3.94Å; I202-I247 HydrophobicContact CD1-CG2 3.62Å; W219-I247 HydrophobicContact CZ2-CG2 4.01Å; V243-I247 HydrophobicContact CG1-CD1 3.84Å; V243-I247 HydrophobicContact CG1-CG1 4.31Å; V243-I247 WeakPolarHBondContact O-CG1 3.37Å; V243-I247 PolarHBondContact O-N 2.98Å; L244-I247 PolarHBondContact O-N 3.33Å; I247-K275 VanDerWaalsContact O-CE 3.26Å; I247-K275 WeakPolarHBondContact O-CE 3.34Å; I247-K275 PolarHBondContact O-NZ 3.08Å |
| 248 | L | 89.7 | Confident | 88.3 | Confident | 51 Ų | 51 | 70.9 Ų | 70.9 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72 | -47.8 | 176.8 | -66.4 | -178.5 | 0 | 0 | 0 | 113 | P199 I202 N203 L244 K246 K275 | P199-L248 HydrophobicContact CB-CD2 4.23Å; I202-L248 HydrophobicContact CB-CD2 4.19Å; I202-L248 HydrophobicContact CB-CG 4.49Å; I202-L248 HydrophobicContact CG2-CD1 3.83Å; I202-L248 HydrophobicContact CG2-CD2 4.26Å; I202-L248 HydrophobicContact CG2-CG 4.08Å; N203-L248 VanDerWaalsContact OD1-CD2 3.26Å; N203-L248 WeakPolarHBondContact OD1-CD2 2.97Å; L244-L248 WeakPolarHBondContact O-CG 3.29Å; L244-L248 PolarHBondContact O-N 2.93Å; K246-L248 PolarHBondContact O-N 3.3Å; L248-K275 PolarHBondContact O-NZ 3.41Å |
| 249 | K | 88.6 | Confident | 88.7 | Confident | 170 Ų | 170 | 76.1 Ų | 76.1 | 74% | 0.739 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -97.2 | -34.8 | -166.5 | -64.6 | -175.4 | 176.9 | -175.9 | 0 | 115.9 | L245 K246 | L245-K249 WeakPolarHBondContact O-CB 3.4Å; L245-K249 WeakPolarHBondContact O-CG 3.36Å; L245-K249 PolarHBondContact O-N 2.85Å; K246-K249 PolarHBondContact O-N 3.27Å |
| 250 | S | 90.9 | Very high | 89.1 | Confident | 55 Ų | 55 | 74.2 Ų | 74.2 | 39% | 0.385 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -85.7 | 158.8 | -180 | -57.2 | 0 | 0 | 0 | 0 | 111 | K246 K275 | K246-S250 WeakPolarHBondContact O-CA 3.48Å; K246-S250 VanDerWaalsContact O-CB 3.28Å; K246-S250 WeakPolarHBondContact O-CB 3.39Å; K246-S250 PolarHBondContact O-N 3.03Å; S250-K275 WeakPolarHBondContact O-CE 3.41Å; S250-K275 PolarHBondContact O-NZ 3.43Å |
| 251 | D | 91.2 | Very high | 89.7 | Confident | 145 Ų | 145 | 72.7 Ų | 72.7 | 78% | 0.775 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 159.1 | 174.4 | -68 | -46.5 | 0 | 0 | 0 | 112.5 | ||
| 252 | P | 94.5 | Very high | 90.4 | Very high | 52 Ų | 52 | 69.6 Ų | 69.6 | 34% | 0.338 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 138.5 | 175.3 | -24.3 | 32.5 | 0 | 0 | 0 | 111.9 | W219 L273 K275 | W219-P252 HydrophobicContact CH2-CB 4.29Å; W219-P252 HydrophobicContact CZ3-CB 4.46Å; P252-L273 HydrophobicContact CB-CB 4.16Å; P252-L273 VanDerWaalsContact CB-O 3.3Å; P252-L273 WeakPolarHBondContact CB-O 3.38Å; P252-L273 WeakPolarHBondContact CG-O 3.4Å; P252-K275 HydrophobicContact CG-CG 4.18Å |
| 253 | P | 94.4 | Very high | 90.9 | Very high | 30 Ų | 30 | 65.3 Ų | 65.3 | 20% | 0.195 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 149.2 | 179 | 26.8 | -32.7 | 0 | 0 | 0 | 110.9 | I223 I226 P234 L273 | I223-P253 HydrophobicContact CD1-CG 3.56Å; I226-P253 HydrophobicContact CD1-CB 4.11Å; I226-P253 HydrophobicContact CD1-CG 4.23Å; P234-P253 HydrophobicContact CB-CB 3.76Å; P234-P253 HydrophobicContact CB-CG 4.23Å; P234-P253 HydrophobicContact CG-CB 3.63Å; P234-P253 HydrophobicContact CG-CG 3.84Å; P253-L273 HydrophobicContact CG-CD1 4.19Å; P253-L273 WeakPolarHBondContact O-CD1 3.47Å |
| 254 | T | 94.7 | Very high | 91.3 | Very high | 97 Ų | 97 | 69.4 Ų | 69.4 | 60% | 0.595 | 37% | 0.374 | S | S | * | . | trans | -126.4 | 178.3 | 175.2 | -170 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 255 | L | 93.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.016 | 37% | 0.368 | C | S | . | . | trans | -69.8 | 139.2 | 175.8 | -62.8 | 164.8 | 0 | 0 | 0 | 110.1 | I226 A229 Q230 R257 P258 W261 F265 K266 L269 | I226-L255 HydrophobicContact CG1-CD2 4.26Å; I226-L255 HydrophobicContact CG2-CD2 4.45Å; A229-L255 HydrophobicContact CB-CD2 3.81Å; Q230-L255 VanDerWaalsContact NE2-CA 3.34Å; L255-R257 VanDerWaalsContact C-N 3.28Å; L255-R257 PolarHBondContact O-N 3.03Å; L255-P258 VanDerWaalsContact O-CD 3.25Å; L255-P258 WeakPolarHBondContact O-CD 3.29Å; L255-P258 WeakPolarHBondContact O-CG 3.48Å; L255-W261 HydrophobicContact CD1-CB 4.02Å; L255-W261 HydrophobicContact CD1-CD2 4.26Å; L255-W261 HydrophobicContact CD1-CG 3.69Å; L255-F265 HydrophobicContact CD1-CD1 4.04Å; L255-F265 HydrophobicContact CD1-CE1 3.81Å; L255-F265 HydrophobicContact CD2-CE1 4.33Å; L255-K266 HydrophobicContact CD1-CG 4.34Å; L255-L269 HydrophobicContact CD1-CD2 4.04Å; L255-L269 HydrophobicContact CD2-CD2 4.13Å; L255-L269 HydrophobicContact CG-CD2 3.71Å | ||
| 256 | S | 90.5 | Very high | 92.3 | Very high | 96 Ų | 96 | 67.4 Ų | 67.4 | 67% | 0.671 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -67.3 | -29.6 | -177.9 | -46.6 | 0 | 0 | 0 | 0 | 112.7 | Q230 | Q230-S256 PolarHBondContact NE2-OG 3.02Å; Q230-S256 PolarHBondContact OE1-OG 2.7Å |
| 257 | R | 88.5 | Confident | 92.7 | Very high | 78 Ų | 78 | 67.6 Ų | 67.6 | 29% | 0.294 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -125.4 | 73.2 | 176 | -58.7 | -176.8 | -172.1 | 109.6 | 6.2 | 110.2 | L255 H259 L260 C354 D355 D356 | L255-R257 VanDerWaalsContact C-N 3.28Å; L255-R257 PolarHBondContact O-N 3.03Å; R257-H259 PolarHBondContact O-N 2.9Å; R257-H259 VanDerWaalsContact O-N 3.14Å; R257-L260 HydrophobicContact CB-CD1 3.67Å; R257-L260 HydrophobicContact CB-CG 4.15Å; R257-L260 HydrophobicContact CG-CD1 4.34Å; R257-L260 PolarHBondContact O-N 3.48Å; R257-C354 PolarHBondContact NH1-O 3.16Å; R257-D355 IonicContact CZ-OD1 3.79Å; R257-D355 IonicContact NH1-OD1 3.22Å; R257-D355 PolarHBondContact NH1-OD1 3.2Å; R257-D355 IonicContact NH2-OD1 2.69Å; R257-D355 PolarHBondContact NH2-OD1 2.73Å; R257-D356 PolarHBondContact NH2-O 3.08Å |
| 258 | P | 89.3 | Confident | 93 | Very high | 49 Ų | 49 | 66.9 Ų | 66.9 | 32% | 0.318 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -62.7 | -22.2 | -172.1 | -22.2 | 32.1 | 0 | 0 | 0 | 115 | L255 L260 K266 | L255-P258 VanDerWaalsContact O-CD 3.25Å; L255-P258 WeakPolarHBondContact O-CD 3.29Å; L255-P258 WeakPolarHBondContact O-CG 3.48Å; P258-L260 PolarHBondContact O-N 3.16Å; P258-K266 HydrophobicContact CB-CD 4.04Å; P258-K266 VanDerWaalsContact O-CD 3.32Å; P258-K266 WeakPolarHBondContact O-CD 3.5Å; P258-K266 WeakPolarHBondContact O-CE 3.19Å; P258-K266 PolarHBondContact O-NZ 2.74Å |
| 259 | H | 88.5 | Confident | 93.4 | Very high | 144 Ų | 144 | 64.7 Ų | 64.7 | 67% | 0.667 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -68 | -24.7 | -178.8 | 59.1 | -92.6 | 0 | 0 | 0 | 112.7 | R257 W261 | R257-H259 PolarHBondContact O-N 2.9Å; R257-H259 VanDerWaalsContact O-N 3.14Å; H259-W261 PolarHBondContact O-N 3.41Å |
| 260 | L | 86.8 | Confident | 93.9 | Very high | 56 Ų | 56 | 58.2 Ų | 58.2 | 29% | 0.293 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -79.8 | 6.5 | -178.4 | -57.1 | 176.2 | 0 | 0 | 0 | 114.6 | R257 P258 V353 | R257-L260 HydrophobicContact CB-CD1 3.67Å; R257-L260 HydrophobicContact CB-CG 4.15Å; R257-L260 HydrophobicContact CG-CD1 4.34Å; R257-L260 PolarHBondContact O-N 3.48Å; P258-L260 PolarHBondContact O-N 3.16Å; L260-V353 HydrophobicContact CB-CG1 4.29Å; L260-V353 HydrophobicContact CB-CG2 4.04Å; L260-V353 HydrophobicContact CD1-CG1 3.78Å |
| 261 | W | 94.1 | Very high | 94.2 | Very high | 17 Ų | 17 | 59.4 Ų | 59.4 | 6% | 0.064 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -133.3 | 147.9 | -171.3 | -64.9 | 92 | 0 | 0 | 0 | 111.7 | E129 I132 A229 L255 H259 F265 K266 V353 | E129-W261 HydrophobicContact CB-CE3 4.15Å; E129-W261 HydrophobicContact CB-CZ3 3.93Å; E129-W261 HydrophobicContact CG-CE3 4.23Å; E129-W261 HydrophobicContact CG-CZ3 4.32Å; I132-W261 HydrophobicContact CD1-CH2 3.8Å; I132-W261 HydrophobicContact CD1-CZ3 3.81Å; A229-W261 HydrophobicContact CB-CH2 3.6Å; A229-W261 HydrophobicContact CB-CZ2 3.49Å; A229-W261 VanDerWaalsContact CB-CZ2 3.49Å; A229-W261 HydrophobicContact CB-CZ3 4.33Å; L255-W261 HydrophobicContact CD1-CB 4.02Å; L255-W261 HydrophobicContact CD1-CD2 4.26Å; L255-W261 HydrophobicContact CD1-CG 3.69Å; H259-W261 PolarHBondContact O-N 3.41Å; W261-F265 HydrophobicContact CB-CD1 4.08Å; W261-F265 AromaticContact CD2-CD1 3.85Å; W261-F265 HydrophobicContact CD2-CD1 3.85Å; W261-F265 AromaticContact CD2-CE1 3.91Å; W261-F265 HydrophobicContact CD2-CE1 3.91Å; W261-F265 AromaticContact CE3-CD1 3.39Å; W261-F265 HydrophobicContact CE3-CD1 3.39Å; W261-F265 AromaticContact CE3-CE1 3.54Å; W261-F265 HydrophobicContact CE3-CE1 3.54Å; W261-F265 HydrophobicContact CE3-CG 4.44Å; W261-F265 HydrophobicContact CG-CD1 4.15Å; W261-F265 HydrophobicContact CG-CE1 4.47Å; W261-F265 HydrophobicContact CZ3-CD1 4.14Å; W261-F265 AromaticContact CZ3-CE1 3.94Å; W261-F265 HydrophobicContact CZ3-CE1 3.94Å; W261-K266 HydrophobicContact CB-CG 4.48Å; W261-K266 WeakPolarHBondContact O-CE 3.47Å; W261-K266 PolarHBondContact O-NZ 2.79Å; W261-V353 HydrophobicContact CH2-CG2 4.5Å; W261-V353 HydrophobicContact CZ2-CG2 4.04Å |
| 262 | S | 95.8 | Very high | 94.5 | Very high | 31 Ų | 31 | 52.5 Ų | 52.5 | 22% | 0.217 | 29% | 0.294 | C | S | . | . | trans | -65.6 | 154.3 | -175.6 | 81.1 | 0 | 0 | 0 | 0 | 112.7 | E129 K264 F265 K266 | E129-S262 VanDerWaalsContact CD-OG 3.23Å; E129-S262 VanDerWaalsContact OE1-CB 3.29Å; E129-S262 WeakPolarHBondContact OE1-CB 3.42Å; E129-S262 PolarHBondContact OE1-OG 2.97Å; E129-S262 VanDerWaalsContact OE2-CB 3.24Å; E129-S262 WeakPolarHBondContact OE2-CB 3.25Å; E129-S262 PolarHBondContact OE2-N 3.22Å; E129-S262 PolarHBondContact OE2-OG 3.22Å; E129-S262 VanDerWaalsContact OE2-OG 3.1Å; S262-K264 PolarHBondContact O-N 2.94Å; S262-K264 PolarHBondContact OG-N 3.11Å; S262-F265 PolarHBondContact O-N 3.48Å; S262-F265 PolarHBondContact OG-N 2.94Å; S262-F265 VanDerWaalsContact OG-N 3.08Å; S262-K266 VanDerWaalsContact O-CE 3.27Å; S262-K266 WeakPolarHBondContact O-CE 3.31Å; S262-K266 PolarHBondContact O-N 3.41Å; S262-K266 VanDerWaalsContact O-N 3.07Å | ||
| 263 | S | 95.2 | Very high | 94.7 | Very high | 91 Ų | 91 | 50.2 Ų | 50.2 | 64% | 0.636 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -56.5 | -38.2 | 172.2 | 179 | 0 | 0 | 0 | 0 | 111.8 | T267 | S263-T267 WeakPolarHBondContact O-CB 3.4Å; S263-T267 PolarHBondContact O-N 2.68Å; S263-T267 PolarHBondContact O-OG1 3.07Å |
| 264 | K | 96.9 | Very high | 94.8 | Very high | 87 Ų | 87 | 52.4 Ų | 52.4 | 38% | 0.378 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.6 | -54.1 | 175.2 | -70.8 | -178.9 | 164.4 | -157.1 | 0 | 111 | S262 K266 T267 F268 P290 F291 D294 | S262-K264 PolarHBondContact O-N 2.94Å; S262-K264 PolarHBondContact OG-N 3.11Å; K264-K266 PolarHBondContact O-N 2.94Å; K264-T267 PolarHBondContact O-N 3.06Å; K264-F268 WeakPolarHBondContact O-CB 3.26Å; K264-F268 PolarHBondContact O-N 3.12Å; K264-P290 VanDerWaalsContact CD-O 3.31Å; K264-P290 WeakPolarHBondContact CD-O 3.33Å; K264-P290 WeakPolarHBondContact CE-O 3.36Å; K264-P290 PolarHBondContact NZ-O 2.94Å; K264-F291 HydrophobicContact CB-CB 4.24Å; K264-F291 HydrophobicContact CB-CD2 4.09Å; K264-D294 IonicContact NZ-OD2 3.52Å |
| 265 | F | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -43.7 | -177.6 | -178.4 | -129.4 | 0 | 0 | 0 | 112.6 | E129 I132 L225 A229 L255 W261 S262 T267 F268 L269 F291 | E129-F265 HydrophobicContact CG-CB 4.28Å; E129-F265 HydrophobicContact CG-CG 4.46Å; I132-F265 HydrophobicContact CD1-CZ 4.48Å; I132-F265 HydrophobicContact CG2-CD2 4.49Å; I132-F265 HydrophobicContact CG2-CE2 3.72Å; I132-F265 HydrophobicContact CG2-CZ 4Å; L225-F265 HydrophobicContact CB-CE2 4.15Å; L225-F265 HydrophobicContact CB-CZ 4.16Å; L225-F265 HydrophobicContact CD1-CE2 4.32Å; L225-F265 HydrophobicContact CD2-CE2 4.29Å; L225-F265 HydrophobicContact CG-CE2 4.49Å; A229-F265 HydrophobicContact CB-CE1 4.26Å; A229-F265 HydrophobicContact CB-CZ 4.43Å; L255-F265 HydrophobicContact CD1-CD1 4.04Å; L255-F265 HydrophobicContact CD1-CE1 3.81Å; L255-F265 HydrophobicContact CD2-CE1 4.33Å; W261-F265 HydrophobicContact CB-CD1 4.08Å; W261-F265 AromaticContact CD2-CD1 3.85Å; W261-F265 HydrophobicContact CD2-CD1 3.85Å; W261-F265 AromaticContact CD2-CE1 3.91Å; W261-F265 HydrophobicContact CD2-CE1 3.91Å; W261-F265 AromaticContact CE3-CD1 3.39Å; W261-F265 HydrophobicContact CE3-CD1 3.39Å; W261-F265 AromaticContact CE3-CE1 3.54Å; W261-F265 HydrophobicContact CE3-CE1 3.54Å; W261-F265 HydrophobicContact CE3-CG 4.44Å; W261-F265 HydrophobicContact CG-CD1 4.15Å; W261-F265 HydrophobicContact CG-CE1 4.47Å; W261-F265 HydrophobicContact CZ3-CD1 4.14Å; W261-F265 AromaticContact CZ3-CE1 3.94Å; W261-F265 HydrophobicContact CZ3-CE1 3.94Å; S262-F265 PolarHBondContact O-N 3.48Å; S262-F265 PolarHBondContact OG-N 2.94Å; S262-F265 VanDerWaalsContact OG-N 3.08Å; F265-T267 VanDerWaalsContact C-N 3.35Å; F265-T267 PolarHBondContact O-N 2.6Å; F265-F268 PolarHBondContact O-N 3.38Å; F265-L269 WeakPolarHBondContact O-CB 3.16Å; F265-L269 PolarHBondContact O-N 2.9Å; F265-F291 HydrophobicContact CB-CD2 3.97Å; F265-F291 HydrophobicContact CB-CE2 3.64Å; F265-F291 HydrophobicContact CB-CZ 4.12Å; F265-F291 HydrophobicContact CD2-CD1 4.25Å; F265-F291 HydrophobicContact CD2-CD2 4.46Å; F265-F291 AromaticContact CD2-CE1 3.62Å; F265-F291 HydrophobicContact CD2-CE1 3.62Å; F265-F291 AromaticContact CD2-CE2 3.87Å; F265-F291 HydrophobicContact CD2-CE2 3.87Å; F265-F291 AromaticContact CD2-CZ 3.41Å; F265-F291 HydrophobicContact CD2-CZ 3.41Å; F265-F291 VanDerWaalsContact CD2-CZ 3.41Å; F265-F291 HydrophobicContact CE2-CE1 4.19Å; F265-F291 HydrophobicContact CE2-CZ 4.15Å; F265-F291 HydrophobicContact CG-CE2 4.09Å; F265-F291 HydrophobicContact CG-CZ 4.04Å |
| 266 | K | 97.2 | Very high | 94.8 | Very high | 73 Ų | 73 | 53.7 Ų | 53.7 | 32% | 0.317 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 175.6 | -78.9 | 176.7 | -73 | -149.3 | 0 | 112.8 | L255 P258 W261 S262 K264 G270 | L255-K266 HydrophobicContact CD1-CG 4.34Å; P258-K266 HydrophobicContact CB-CD 4.04Å; P258-K266 VanDerWaalsContact O-CD 3.32Å; P258-K266 WeakPolarHBondContact O-CD 3.5Å; P258-K266 WeakPolarHBondContact O-CE 3.19Å; P258-K266 PolarHBondContact O-NZ 2.74Å; W261-K266 HydrophobicContact CB-CG 4.48Å; W261-K266 WeakPolarHBondContact O-CE 3.47Å; W261-K266 PolarHBondContact O-NZ 2.79Å; S262-K266 VanDerWaalsContact O-CE 3.27Å; S262-K266 WeakPolarHBondContact O-CE 3.31Å; S262-K266 PolarHBondContact O-N 3.41Å; S262-K266 VanDerWaalsContact O-N 3.07Å; K264-K266 PolarHBondContact O-N 2.94Å; K266-G270 PolarHBondContact O-N 3.3Å |
| 267 | T | 97.4 | Very high | 94.9 | Very high | 79 Ų | 79 | 50.5 Ų | 50.5 | 49% | 0.485 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.3 | -47.1 | 178.4 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | S263 K264 F265 G270 R271 | S263-T267 WeakPolarHBondContact O-CB 3.4Å; S263-T267 PolarHBondContact O-N 2.68Å; S263-T267 PolarHBondContact O-OG1 3.07Å; K264-T267 PolarHBondContact O-N 3.06Å; F265-T267 VanDerWaalsContact C-N 3.35Å; F265-T267 PolarHBondContact O-N 2.6Å; T267-G270 PolarHBondContact O-N 3.33Å; T267-R271 WeakPolarHBondContact O-CG 3.46Å; T267-R271 PolarHBondContact O-N 3.4Å |
| 268 | F | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.2 | -49.5 | 176.2 | 179 | -106.2 | 0 | 0 | 0 | 112.1 | L140 F221 L225 K264 F265 G270 R271 T272 L286 D289 F291 V292 | L140-F268 HydrophobicContact CD1-CE2 4.13Å; L140-F268 HydrophobicContact CD1-CZ 3.82Å; F221-F268 AromaticContact CE1-CE1 3.98Å; F221-F268 HydrophobicContact CE1-CE1 3.98Å; F221-F268 AromaticContact CE1-CZ 3.87Å; F221-F268 HydrophobicContact CE1-CZ 3.87Å; F221-F268 HydrophobicContact CZ-CE1 4.1Å; F221-F268 HydrophobicContact CZ-CZ 4.11Å; L225-F268 HydrophobicContact CD1-CD1 3.74Å; L225-F268 HydrophobicContact CD1-CE1 3.55Å; L225-F268 HydrophobicContact CD2-CE1 4.36Å; K264-F268 WeakPolarHBondContact O-CB 3.26Å; K264-F268 PolarHBondContact O-N 3.12Å; F265-F268 PolarHBondContact O-N 3.38Å; F268-G270 PolarHBondContact O-N 2.84Å; F268-R271 WeakPolarHBondContact O-CB 3.36Å; F268-R271 PolarHBondContact O-N 3.49Å; F268-R271 VanDerWaalsContact O-N 3.15Å; F268-T272 PolarHBondContact O-N 2.99Å; F268-L286 HydrophobicContact CD2-CD2 4.1Å; F268-L286 HydrophobicContact CE2-CB 4.16Å; F268-L286 HydrophobicContact CE2-CD2 3.89Å; F268-D289 HydrophobicContact CD2-CB 3.73Å; F268-D289 HydrophobicContact CE2-CB 4.1Å; F268-F291 HydrophobicContact CB-CB 3.81Å; F268-F291 HydrophobicContact CB-CD1 4.1Å; F268-F291 HydrophobicContact CB-CG 4.12Å; F268-F291 AromaticContact CD1-CD1 3.35Å; F268-F291 HydrophobicContact CD1-CD1 3.35Å; F268-F291 AromaticContact CD1-CE1 3.89Å; F268-F291 HydrophobicContact CD1-CE1 3.89Å; F268-F291 HydrophobicContact CD1-CG 4.22Å; F268-F291 HydrophobicContact CD2-CB 4.17Å; F268-F291 HydrophobicContact CD2-CD1 4.23Å; F268-F291 AromaticContact CE1-CD1 3.64Å; F268-F291 HydrophobicContact CE1-CD1 3.64Å; F268-F291 HydrophobicContact CE1-CE1 4Å; F268-F291 HydrophobicContact CE2-CD1 4.46Å; F268-F291 HydrophobicContact CG-CB 3.96Å; F268-F291 AromaticContact CG-CD1 3.66Å; F268-F291 HydrophobicContact CG-CD1 3.66Å; F268-F291 HydrophobicContact CG-CG 4.13Å; F268-F291 HydrophobicContact CZ-CD1 4.18Å; F268-V292 HydrophobicContact CE2-CG1 4.29Å; F268-V292 HydrophobicContact CE2-CG2 4.25Å; F268-V292 HydrophobicContact CZ-CG1 4.04Å |
| 269 | L | 98.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.3 | -49.1 | 175 | 176.8 | 62.2 | 0 | 0 | 0 | 111.5 | G222 L225 I226 L255 F265 R271 T272 L273 | G222-L269 VanDerWaalsContact O-CD1 3.25Å; G222-L269 WeakPolarHBondContact O-CD1 3.41Å; L225-L269 HydrophobicContact CB-CD1 3.95Å; L225-L269 HydrophobicContact CD1-CD1 4.19Å; I226-L269 HydrophobicContact CD1-CD1 4.4Å; I226-L269 HydrophobicContact CD1-CD2 4.35Å; I226-L269 HydrophobicContact CG1-CD1 3.94Å; I226-L269 HydrophobicContact CG1-CD2 3.91Å; L255-L269 HydrophobicContact CD1-CD2 4.04Å; L255-L269 HydrophobicContact CD2-CD2 4.13Å; L255-L269 HydrophobicContact CG-CD2 3.71Å; F265-L269 WeakPolarHBondContact O-CB 3.16Å; F265-L269 PolarHBondContact O-N 2.9Å; L269-R271 VanDerWaalsContact C-N 3.27Å; L269-R271 PolarHBondContact O-N 3.11Å; L269-T272 PolarHBondContact O-N 2.86Å; L269-T272 PolarHBondContact O-OG1 3.28Å; L269-L273 HydrophobicContact CD1-CD1 3.68Å; L269-L273 HydrophobicContact CD1-CG 4.16Å; L269-L273 HydrophobicContact CG-CD1 4.14Å; L269-L273 PolarHBondContact O-N 2.91Å; L269-L273 VanDerWaalsContact O-N 3.1Å |
| 270 | G | 97.6 | Very high | 95.9 | Very high | 35 Ų | 35 | 49.9 Ų | 49.9 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.7 | -33.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K266 T267 F268 Q274 | K266-G270 PolarHBondContact O-N 3.3Å; T267-G270 PolarHBondContact O-N 3.33Å; F268-G270 PolarHBondContact O-N 2.84Å; G270-Q274 PolarHBondContact O-NE2 3.44Å |
| 271 | R | 97.9 | Very high | 96.3 | Very high | 80 Ų | 80 | 47.9 Ų | 47.9 | 30% | 0.302 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.6 | -35.9 | 172.7 | -70.1 | 179.5 | 72.5 | -158.1 | -3 | 112.1 | T267 F268 L269 Q274 P281 D285 L286 D289 | T267-R271 WeakPolarHBondContact O-CG 3.46Å; T267-R271 PolarHBondContact O-N 3.4Å; F268-R271 WeakPolarHBondContact O-CB 3.36Å; F268-R271 PolarHBondContact O-N 3.49Å; F268-R271 VanDerWaalsContact O-N 3.15Å; L269-R271 VanDerWaalsContact C-N 3.27Å; L269-R271 PolarHBondContact O-N 3.11Å; R271-Q274 WeakPolarHBondContact O-CG 3.44Å; R271-P281 HydrophobicContact CB-CG 4.23Å; R271-P281 WeakPolarHBondContact O-CD 3.5Å; R271-D285 PolarHBondContact NH1-O 3.44Å; R271-D285 PolarHBondContact NH2-O 3.3Å; R271-L286 HydrophobicContact CB-CD2 4.38Å; R271-D289 WeakPolarHBondContact CD-OD2 3.5Å; R271-D289 IonicContact CZ-OD2 3.95Å; R271-D289 IonicContact NE-OD2 2.69Å; R271-D289 IonicContact NH1-OD2 2.76Å; R271-D289 PolarHBondContact NH1-OD2 3.3Å |
| 272 | T | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.7 | -36.4 | 178.3 | 65.6 | 0 | 0 | 0 | 0 | 113.4 | I218 F221 G222 L225 F268 L269 Q274 R280 L286 | I218-T272 HydrophobicContact CG2-CG2 4.29Å; F221-T272 HydrophobicContact CD1-CG2 4.03Å; F221-T272 HydrophobicContact CE1-CG2 4.18Å; G222-T272 WeakPolarHBondContact CA-OG1 3.41Å; L225-T272 HydrophobicContact CD1-CG2 4.41Å; F268-T272 PolarHBondContact O-N 2.99Å; L269-T272 PolarHBondContact O-N 2.86Å; L269-T272 PolarHBondContact O-OG1 3.28Å; T272-Q274 VanDerWaalsContact C-N 3.29Å; T272-Q274 PolarHBondContact O-N 3.29Å; T272-Q274 VanDerWaalsContact O-N 3.17Å; T272-R280 VanDerWaalsContact O-CD 3.24Å; T272-R280 WeakPolarHBondContact O-CD 3.32Å; T272-R280 WeakPolarHBondContact O-CG 3.23Å; T272-L286 HydrophobicContact CG2-CD1 4.06Å; T272-L286 HydrophobicContact CG2-CD2 4.11Å |
| 273 | L | 98 | Very high | 96.5 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 40.6 | -174.6 | -65.9 | 179.3 | 0 | 0 | 0 | 114.2 | W219 I223 I226 P252 P253 L269 | W219-L273 HydrophobicContact CD2-CD2 3.93Å; W219-L273 HydrophobicContact CE3-CD2 4.06Å; W219-L273 HydrophobicContact CG-CD2 4.34Å; W219-L273 HydrophobicContact CZ3-CB 4.39Å; W219-L273 HydrophobicContact CZ3-CD2 4.41Å; W219-L273 WeakPolarHBondContact CZ3-O 3.32Å; I223-L273 HydrophobicContact CD1-CD2 3.78Å; I223-L273 HydrophobicContact CG1-CD2 4.07Å; I226-L273 HydrophobicContact CD1-CD1 3.79Å; P252-L273 HydrophobicContact CB-CB 4.16Å; P252-L273 VanDerWaalsContact CB-O 3.3Å; P252-L273 WeakPolarHBondContact CB-O 3.38Å; P252-L273 WeakPolarHBondContact CG-O 3.4Å; P253-L273 HydrophobicContact CG-CD1 4.19Å; P253-L273 WeakPolarHBondContact O-CD1 3.47Å; L269-L273 HydrophobicContact CD1-CD1 3.68Å; L269-L273 HydrophobicContact CD1-CG 4.16Å; L269-L273 HydrophobicContact CG-CD1 4.14Å; L269-L273 PolarHBondContact O-N 2.91Å; L269-L273 VanDerWaalsContact O-N 3.1Å |
| 274 | Q | 97.5 | Very high | 96.6 | Very high | 76 Ų | 76 | 50.6 Ų | 50.6 | 36% | 0.355 | 25% | 0.249 | S | C | . | . | trans | -80.4 | 124.7 | 172.3 | -65.8 | -60 | -49.1 | 0 | 0 | 110.9 | G270 R271 T272 Q279 R280 | G270-Q274 PolarHBondContact O-NE2 3.44Å; R271-Q274 WeakPolarHBondContact O-CG 3.44Å; T272-Q274 VanDerWaalsContact C-N 3.29Å; T272-Q274 PolarHBondContact O-N 3.29Å; T272-Q274 VanDerWaalsContact O-N 3.17Å; Q274-Q279 HydrophobicContact CB-CB 4.22Å; Q274-Q279 HydrophobicContact CG-CB 4.33Å; Q274-R280 HydrophobicContact CB-CB 4.14Å; Q274-R280 HydrophobicContact CB-CG 4.28Å; Q274-R280 VanDerWaalsContact O-CZ 3.26Å; Q274-R280 PolarHBondContact O-NE 2.89Å; Q274-R280 PolarHBondContact O-NH2 3.26Å | ||
| 275 | K | 94.4 | Very high | 96.6 | Very high | 62 Ų | 62 | 49.4 Ų | 49.4 | 27% | 0.27 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -63.9 | -43 | 178.8 | -83.4 | -165.8 | 174.7 | -174.9 | 0 | 113.1 | P199 W219 I247 L248 S250 P252 P277 | P199-K275 HydrophobicContact CG-CG 4.16Å; W219-K275 HydrophobicContact CH2-CG 4.28Å; W219-K275 HydrophobicContact CZ3-CG 4.13Å; I247-K275 VanDerWaalsContact O-CE 3.26Å; I247-K275 WeakPolarHBondContact O-CE 3.34Å; I247-K275 PolarHBondContact O-NZ 3.08Å; L248-K275 PolarHBondContact O-NZ 3.41Å; S250-K275 WeakPolarHBondContact O-CE 3.41Å; S250-K275 PolarHBondContact O-NZ 3.43Å; P252-K275 HydrophobicContact CG-CG 4.18Å; K275-P277 VanDerWaalsContact O-CD 3.32Å; K275-P277 WeakPolarHBondContact O-CD 3.47Å |
| 276 | D | 92.7 | Very high | 96.6 | Very high | 64 Ų | 64 | 49.4 Ų | 49.4 | 34% | 0.342 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -75.7 | 114.7 | 172.5 | 175.6 | 11.7 | 0 | 0 | 0 | 108.9 | N278 Q279 R280 | D276-N278 PolarHBondContact O-N 2.93Å; D276-N278 VanDerWaalsContact O-N 3.1Å; D276-N278 WeakPolarHBondContact OD1-CB 3.45Å; D276-N278 PolarHBondContact OD1-N 2.88Å; D276-N278 PolarHBondContact OD1-ND2 3.03Å; D276-Q279 HydrophobicContact CB-CB 4.44Å; D276-Q279 HydrophobicContact CB-CG 3.96Å; D276-Q279 PolarHBondContact O-N 3.15Å; D276-Q279 WeakPolarHBondContact OD2-CG 3.49Å; D276-Q279 PolarHBondContact OD2-NE2 3.36Å; D276-R280 PolarHBondContact O-N 3.4Å |
| 277 | P | 93.3 | Very high | 96.7 | Very high | 30 Ų | 30 | 47.2 Ų | 47.2 | 20% | 0.195 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -15.5 | 179.2 | 27.1 | -35.6 | 0 | 0 | 0 | 113.2 | E200 K215 K275 | E200-P277 HydrophobicContact CB-CG 4.44Å; E200-P277 HydrophobicContact CG-CG 4.36Å; K215-P277 HydrophobicContact CB-CB 4.09Å; K275-P277 VanDerWaalsContact O-CD 3.32Å; K275-P277 WeakPolarHBondContact O-CD 3.47Å |
| 278 | N | 92.8 | Very high | 96.7 | Very high | 125 Ų | 125 | 50 Ų | 50 | 67% | 0.668 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -28.3 | 173.8 | -52.9 | -72 | 0 | 0 | 0 | 112.7 | D276 R280 | D276-N278 PolarHBondContact O-N 2.93Å; D276-N278 VanDerWaalsContact O-N 3.1Å; D276-N278 WeakPolarHBondContact OD1-CB 3.45Å; D276-N278 PolarHBondContact OD1-N 2.88Å; D276-N278 PolarHBondContact OD1-ND2 3.03Å; N278-R280 VanDerWaalsContact C-N 3.32Å |
| 279 | Q | 96.1 | Very high | 96.7 | Very high | 130 Ų | 130 | 50.3 Ų | 50.3 | 61% | 0.607 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -15.1 | 171.6 | -55.8 | -50.9 | -47.1 | 0 | 0 | 112.4 | Q274 D276 | Q274-Q279 HydrophobicContact CB-CB 4.22Å; Q274-Q279 HydrophobicContact CG-CB 4.33Å; D276-Q279 HydrophobicContact CB-CB 4.44Å; D276-Q279 HydrophobicContact CB-CG 3.96Å; D276-Q279 PolarHBondContact O-N 3.15Å; D276-Q279 WeakPolarHBondContact OD2-CG 3.49Å; D276-Q279 PolarHBondContact OD2-NE2 3.36Å |
| 280 | R | 97.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -76 | 125.8 | 180 | -150.8 | 178.8 | -59.3 | 146.1 | 4.6 | 109.7 | E200 K215 I218 T272 Q274 D276 N278 | E200-R280 IonicContact OE1-CZ 3Å; E200-R280 IonicContact OE1-NH1 3.36Å; E200-R280 PolarHBondContact OE1-NH1 2.98Å; E200-R280 IonicContact OE1-NH2 2.68Å; E200-R280 PolarHBondContact OE1-NH2 3.36Å; E200-R280 IonicContact OE2-CZ 3.6Å; E200-R280 IonicContact OE2-NH1 3.25Å; E200-R280 IonicContact OE2-NH2 2.61Å; E200-R280 PolarHBondContact OE2-NH2 2.95Å; K215-R280 VanDerWaalsContact C-NH1 3.34Å; K215-R280 PolarHBondContact NZ-O 3.25Å; K215-R280 PolarHBondContact O-NH1 3.04Å; I218-R280 HydrophobicContact CB-CG 4.17Å; I218-R280 HydrophobicContact CG2-CG 3.81Å; T272-R280 VanDerWaalsContact O-CD 3.24Å; T272-R280 WeakPolarHBondContact O-CD 3.32Å; T272-R280 WeakPolarHBondContact O-CG 3.23Å; Q274-R280 HydrophobicContact CB-CB 4.14Å; Q274-R280 HydrophobicContact CB-CG 4.28Å; Q274-R280 VanDerWaalsContact O-CZ 3.26Å; Q274-R280 PolarHBondContact O-NE 2.89Å; Q274-R280 PolarHBondContact O-NH2 3.26Å; D276-R280 PolarHBondContact O-N 3.4Å; N278-R280 VanDerWaalsContact C-N 3.32Å |
| 281 | P | 96.8 | Very high | 96.7 | Very high | 15 Ų | 15 | 52 Ų | 52 | 10% | 0.097 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 165.4 | 179.8 | 27.7 | -34.8 | 0 | 0 | 0 | 112.4 | K215 R271 D285 L286 | K215-P281 WeakPolarHBondContact CD-O 3.44Å; K215-P281 WeakPolarHBondContact CE-O 3.28Å; R271-P281 HydrophobicContact CB-CG 4.23Å; R271-P281 WeakPolarHBondContact O-CD 3.5Å; P281-D285 HydrophobicContact CB-CB 3.93Å; P281-L286 HydrophobicContact CB-CD2 4.32Å; P281-L286 HydrophobicContact CB-CG 4.1Å; P281-L286 HydrophobicContact CG-CD1 4.09Å; P281-L286 HydrophobicContact CG-CD2 3.55Å; P281-L286 HydrophobicContact CG-CG 3.7Å |
| 282 | E | 96 | Very high | 96.7 | Very high | 44 Ų | 44 | 48.2 Ų | 48.2 | 21% | 0.206 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -87.8 | 167.8 | 168.9 | -34.3 | -138.2 | 112.4 | 0 | 0 | 111.1 | K215 R284 D285 L286 | K215-E282 WeakPolarHBondContact CE-OE1 3.34Å; K215-E282 IonicContact NZ-OE1 3.83Å; E282-R284 HydrophobicContact CB-CG 4.26Å; E282-R284 PolarHBondContact O-N 2.86Å; E282-R284 IonicContact OE2-CZ 2.9Å; E282-R284 VanDerWaalsContact OE2-CZ 3.25Å; E282-R284 IonicContact OE2-NE 2.77Å; E282-R284 PolarHBondContact OE2-NE 2.87Å; E282-R284 IonicContact OE2-NH2 2.65Å; E282-R284 PolarHBondContact OE2-NH2 3.43Å; E282-D285 WeakPolarHBondContact CG-OD2 3.37Å; E282-D285 PolarHBondContact N-OD2 3.4Å; E282-D285 PolarHBondContact O-N 2.77Å; E282-L286 PolarHBondContact O-N 3.46Å; E282-L286 VanDerWaalsContact O-N 3.12Å |
| 283 | C | 97.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.02 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.4 | -40.8 | 174.1 | -61.4 | 0 | 0 | 0 | 0 | 112.1 | L140 L143 E144 I218 D285 L286 L287 | L140-C283 HydrophobicContact CD2-CB 4.4Å; L143-C283 VanDerWaalsContact CB-SG 3.55Å; E144-C283 HydrophobicContact CB-CB 3.62Å; E144-C283 HydrophobicContact CG-CB 4.26Å; I218-C283 WeakPolarHBondContact CD1-SG 3.18Å; C283-D285 VanDerWaalsContact C-N 3.27Å; C283-D285 PolarHBondContact O-N 2.88Å; C283-L286 PolarHBondContact O-N 2.92Å; C283-L286 VanDerWaalsContact O-N 3.15Å; C283-L287 WeakPolarHBondContact O-CB 3.43Å; C283-L287 WeakPolarHBondContact O-CG 3.44Å; C283-L287 PolarHBondContact O-N 2.98Å |
| 284 | R | 96.2 | Very high | 96.5 | Very high | 149 Ų | 149 | 55.6 Ų | 55.6 | 56% | 0.562 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -55.9 | -39.2 | 177.1 | 86.5 | -178.5 | 86.4 | -154.3 | 6.2 | 112.9 | E144 E282 L288 | E144-R284 WeakPolarHBondContact OE1-CA 3.44Å; E144-R284 WeakPolarHBondContact OE1-CB 3.45Å; E282-R284 HydrophobicContact CB-CG 4.26Å; E282-R284 PolarHBondContact O-N 2.86Å; E282-R284 IonicContact OE2-CZ 2.9Å; E282-R284 VanDerWaalsContact OE2-CZ 3.25Å; E282-R284 IonicContact OE2-NE 2.77Å; E282-R284 PolarHBondContact OE2-NE 2.87Å; E282-R284 IonicContact OE2-NH2 2.65Å; E282-R284 PolarHBondContact OE2-NH2 3.43Å; R284-L288 WeakPolarHBondContact O-CG 3.34Å |
| 285 | D | 97.7 | Very high | 96.4 | Very high | 62 Ų | 62 | 52.7 Ų | 52.7 | 33% | 0.332 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -84.3 | -20 | -177 | -43.1 | -56.9 | 0 | 0 | 0 | 112.5 | R271 P281 E282 C283 | R271-D285 PolarHBondContact NH1-O 3.44Å; R271-D285 PolarHBondContact NH2-O 3.3Å; P281-D285 HydrophobicContact CB-CB 3.93Å; E282-D285 WeakPolarHBondContact CG-OD2 3.37Å; E282-D285 PolarHBondContact N-OD2 3.4Å; E282-D285 PolarHBondContact O-N 2.77Å; C283-D285 VanDerWaalsContact C-N 3.27Å; C283-D285 PolarHBondContact O-N 2.88Å |
| 286 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -84.2 | -34 | 173.7 | -71.8 | 172.5 | 0 | 0 | 0 | 111.6 | L140 I218 F268 R271 T272 P281 E282 C283 L288 D289 V292 | L140-L286 HydrophobicContact CD1-CB 3.67Å; L140-L286 HydrophobicContact CD2-CB 3.99Å; L140-L286 HydrophobicContact CD2-CD1 3.83Å; I218-L286 HydrophobicContact CD1-CD1 4.32Å; I218-L286 HydrophobicContact CG2-CD1 3.7Å; F268-L286 HydrophobicContact CD2-CD2 4.1Å; F268-L286 HydrophobicContact CE2-CB 4.16Å; F268-L286 HydrophobicContact CE2-CD2 3.89Å; R271-L286 HydrophobicContact CB-CD2 4.38Å; T272-L286 HydrophobicContact CG2-CD1 4.06Å; T272-L286 HydrophobicContact CG2-CD2 4.11Å; P281-L286 HydrophobicContact CB-CD2 4.32Å; P281-L286 HydrophobicContact CB-CG 4.1Å; P281-L286 HydrophobicContact CG-CD1 4.09Å; P281-L286 HydrophobicContact CG-CD2 3.55Å; P281-L286 HydrophobicContact CG-CG 3.7Å; E282-L286 PolarHBondContact O-N 3.46Å; E282-L286 VanDerWaalsContact O-N 3.12Å; C283-L286 PolarHBondContact O-N 2.92Å; C283-L286 VanDerWaalsContact O-N 3.15Å; L286-L288 PolarHBondContact O-N 3.12Å; L286-D289 WeakPolarHBondContact O-CB 3.4Å; L286-D289 PolarHBondContact O-N 3.02Å; L286-V292 WeakPolarHBondContact O-CG2 3.42Å |
| 287 | L | 98.2 | Very high | 96.5 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.6 | -22.8 | 172.3 | -74.5 | 167.5 | 0 | 0 | 0 | 112.7 | R137 L140 Q141 E144 C283 | R137-L287 HydrophobicContact CG-CD2 4.15Å; L140-L287 HydrophobicContact CB-CD1 4.47Å; L140-L287 HydrophobicContact CB-CD2 3.63Å; L140-L287 HydrophobicContact CB-CG 3.89Å; L140-L287 HydrophobicContact CD1-CD2 4.29Å; L140-L287 HydrophobicContact CD1-CG 4.41Å; Q141-L287 HydrophobicContact CG-CD1 4.17Å; Q141-L287 HydrophobicContact CG-CD2 3.89Å; E144-L287 HydrophobicContact CB-CD1 4.4Å; E144-L287 VanDerWaalsContact OE2-CD1 3.25Å; E144-L287 WeakPolarHBondContact OE2-CD1 3.49Å; C283-L287 WeakPolarHBondContact O-CB 3.43Å; C283-L287 WeakPolarHBondContact O-CG 3.44Å; C283-L287 PolarHBondContact O-N 2.98Å |
| 288 | L | 97.8 | Very high | 96.5 | Very high | 137 Ų | 137 | 58.1 Ų | 58.1 | 72% | 0.717 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 1.6 | 171.7 | -63.5 | 173.8 | 0 | 0 | 0 | 113.6 | R284 L286 | R284-L288 WeakPolarHBondContact O-CG 3.34Å; L286-L288 PolarHBondContact O-N 3.12Å |
| 289 | D | 98.2 | Very high | 96.6 | Very high | 7 Ų | 7 | 55.1 Ų | 55.1 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -73.6 | 137.6 | -179.5 | -169.5 | -79.6 | 0 | 0 | 0 | 111.8 | F268 R271 L286 F291 V292 S293 | F268-D289 HydrophobicContact CD2-CB 3.73Å; F268-D289 HydrophobicContact CE2-CB 4.1Å; R271-D289 WeakPolarHBondContact CD-OD2 3.5Å; R271-D289 IonicContact CZ-OD2 3.95Å; R271-D289 IonicContact NE-OD2 2.69Å; R271-D289 IonicContact NH1-OD2 2.76Å; R271-D289 PolarHBondContact NH1-OD2 3.3Å; L286-D289 WeakPolarHBondContact O-CB 3.4Å; L286-D289 PolarHBondContact O-N 3.02Å; D289-F291 PolarHBondContact O-N 2.88Å; D289-F291 WeakPolarHBondContact OD1-CB 3.22Å; D289-F291 PolarHBondContact OD1-N 3.46Å; D289-V292 PolarHBondContact O-N 3.3Å; D289-S293 VanDerWaalsContact O-CB 3.32Å; D289-S293 WeakPolarHBondContact O-CB 3.42Å; D289-S293 PolarHBondContact O-N 2.88Å; D289-S293 PolarHBondContact O-OG 3.28Å |
| 290 | P | 97.6 | Very high | 96.6 | Very high | 74 Ų | 74 | 50.6 Ų | 50.6 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -11.9 | 177.6 | -27.5 | 35.7 | 0 | 0 | 0 | 116.4 | K264 | K264-P290 VanDerWaalsContact CD-O 3.31Å; K264-P290 WeakPolarHBondContact CD-O 3.33Å; K264-P290 WeakPolarHBondContact CE-O 3.36Å; K264-P290 PolarHBondContact NZ-O 2.94Å |
| 291 | F | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -33.8 | 170.4 | -177.6 | -117.3 | 0 | 0 | 0 | 113.5 | E129 I132 R133 K264 F265 F268 D289 | E129-F291 HydrophobicContact CG-CE2 3.74Å; E129-F291 HydrophobicContact CG-CZ 4.1Å; E129-F291 WeakPolarHBondContact OE1-CE2 3.28Å; I132-F291 HydrophobicContact CG2-CZ 4.37Å; R133-F291 HydrophobicContact CB-CE1 4.2Å; R133-F291 HydrophobicContact CB-CE2 4.08Å; R133-F291 HydrophobicContact CB-CZ 3.71Å; R133-F291 WeakPolarHBondContact CD-O 3.41Å; R133-F291 HydrophobicContact CG-CE2 4.36Å; R133-F291 HydrophobicContact CG-CZ 4.26Å; R133-F291 WeakPolarHBondContact CG-O 3.46Å; R133-F291 PolarHBondContact NE-O 2.79Å; K264-F291 HydrophobicContact CB-CB 4.24Å; K264-F291 HydrophobicContact CB-CD2 4.09Å; F265-F291 HydrophobicContact CB-CD2 3.97Å; F265-F291 HydrophobicContact CB-CE2 3.64Å; F265-F291 HydrophobicContact CB-CZ 4.12Å; F265-F291 HydrophobicContact CD2-CD1 4.25Å; F265-F291 HydrophobicContact CD2-CD2 4.46Å; F265-F291 AromaticContact CD2-CE1 3.62Å; F265-F291 HydrophobicContact CD2-CE1 3.62Å; F265-F291 AromaticContact CD2-CE2 3.87Å; F265-F291 HydrophobicContact CD2-CE2 3.87Å; F265-F291 AromaticContact CD2-CZ 3.41Å; F265-F291 HydrophobicContact CD2-CZ 3.41Å; F265-F291 VanDerWaalsContact CD2-CZ 3.41Å; F265-F291 HydrophobicContact CE2-CE1 4.19Å; F265-F291 HydrophobicContact CE2-CZ 4.15Å; F265-F291 HydrophobicContact CG-CE2 4.09Å; F265-F291 HydrophobicContact CG-CZ 4.04Å; F268-F291 HydrophobicContact CB-CB 3.81Å; F268-F291 HydrophobicContact CB-CD1 4.1Å; F268-F291 HydrophobicContact CB-CG 4.12Å; F268-F291 AromaticContact CD1-CD1 3.35Å; F268-F291 HydrophobicContact CD1-CD1 3.35Å; F268-F291 AromaticContact CD1-CE1 3.89Å; F268-F291 HydrophobicContact CD1-CE1 3.89Å; F268-F291 HydrophobicContact CD1-CG 4.22Å; F268-F291 HydrophobicContact CD2-CB 4.17Å; F268-F291 HydrophobicContact CD2-CD1 4.23Å; F268-F291 AromaticContact CE1-CD1 3.64Å; F268-F291 HydrophobicContact CE1-CD1 3.64Å; F268-F291 HydrophobicContact CE1-CE1 4Å; F268-F291 HydrophobicContact CE2-CD1 4.46Å; F268-F291 HydrophobicContact CG-CB 3.96Å; F268-F291 AromaticContact CG-CD1 3.66Å; F268-F291 HydrophobicContact CG-CD1 3.66Å; F268-F291 HydrophobicContact CG-CG 4.13Å; F268-F291 HydrophobicContact CZ-CD1 4.18Å; D289-F291 PolarHBondContact O-N 2.88Å; D289-F291 WeakPolarHBondContact OD1-CB 3.22Å; D289-F291 PolarHBondContact OD1-N 3.46Å |
| 292 | V | 97.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -14.6 | -173.7 | -60.4 | 0 | 0 | 0 | 0 | 115.2 | R137 L140 F268 L286 D289 D294 V295 | R137-V292 HydrophobicContact CB-CB 4.31Å; L140-V292 HydrophobicContact CD1-CG2 4.39Å; F268-V292 HydrophobicContact CE2-CG1 4.29Å; F268-V292 HydrophobicContact CE2-CG2 4.25Å; F268-V292 HydrophobicContact CZ-CG1 4.04Å; L286-V292 WeakPolarHBondContact O-CG2 3.42Å; D289-V292 PolarHBondContact O-N 3.3Å; V292-D294 PolarHBondContact O-N 3.02Å; V292-V295 WeakPolarHBondContact O-CB 3.48Å; V292-V295 VanDerWaalsContact O-CG2 3.31Å; V292-V295 WeakPolarHBondContact O-CG2 3.23Å; V292-V295 PolarHBondContact O-N 3.42Å; V292-V295 VanDerWaalsContact O-N 3.13Å |
| 293 | S | 96.9 | Very high | 96.2 | Very high | 70 Ų | 70 | 51.8 Ų | 51.8 | 49% | 0.49 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22.8 | -172.2 | 62.2 | 0 | 0 | 0 | 0 | 114.5 | D289 | D289-S293 VanDerWaalsContact O-CB 3.32Å; D289-S293 WeakPolarHBondContact O-CB 3.42Å; D289-S293 PolarHBondContact O-N 2.88Å; D289-S293 PolarHBondContact O-OG 3.28Å |
| 294 | D | 94.6 | Very high | 96 | Very high | 90 Ų | 90 | 54.1 Ų | 54.1 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -0 | 179.6 | 53.1 | -4.3 | 0 | 0 | 0 | 113.6 | K264 V292 T296 | K264-D294 IonicContact NZ-OD2 3.52Å; V292-D294 PolarHBondContact O-N 3.02Å; D294-T296 PolarHBondContact O-N 3.01Å |
| 295 | V | 97.1 | Very high | 95.8 | Very high | 15 Ų | 15 | 48.4 Ų | 48.4 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | trans | -75 | 115 | -176.3 | 179 | 0 | 0 | 0 | 0 | 112.1 | R133 F134 R137 V292 D299 | R133-V295 HydrophobicContact CG-CG2 3.53Å; F134-V295 HydrophobicContact CD2-CG1 3.67Å; F134-V295 HydrophobicContact CE2-CG1 4.27Å; R137-V295 HydrophobicContact CB-CB 4.25Å; R137-V295 HydrophobicContact CB-CG1 4.17Å; R137-V295 WeakPolarHBondContact CD-O 3.47Å; R137-V295 HydrophobicContact CG-CB 4.24Å; R137-V295 HydrophobicContact CG-CG1 4.45Å; R137-V295 PolarHBondContact NH1-O 3.48Å; V292-V295 WeakPolarHBondContact O-CB 3.48Å; V292-V295 VanDerWaalsContact O-CG2 3.31Å; V292-V295 WeakPolarHBondContact O-CG2 3.23Å; V292-V295 PolarHBondContact O-N 3.42Å; V292-V295 VanDerWaalsContact O-N 3.13Å; V295-D299 HydrophobicContact CG1-CB 4.07Å | ||
| 296 | T | 95.1 | Very high | 95.5 | Very high | 65 Ų | 65 | 45.5 Ų | 45.5 | 40% | 0.399 | 25% | 0.251 | S | S | . | . | trans | -95.7 | -179 | -178.3 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | R137 D294 S298 D299 | R137-T296 PolarHBondContact NH1-O 3.35Å; D294-T296 PolarHBondContact O-N 3.01Å; T296-S298 VanDerWaalsContact C-N 3.29Å; T296-S298 PolarHBondContact OG1-N 2.9Å; T296-S298 VanDerWaalsContact OG1-N 3.12Å; T296-S298 PolarHBondContact OG1-OG 3.29Å; T296-D299 WeakPolarHBondContact CA-OD2 3.4Å; T296-D299 WeakPolarHBondContact CB-OD2 3.49Å; T296-D299 PolarHBondContact N-OD2 2.95Å; T296-D299 PolarHBondContact OG1-OD2 2.88Å | ||
| 297 | E | 93.5 | Very high | 95.3 | Very high | 112 Ų | 112 | 45.9 Ų | 45.9 | 52% | 0.523 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -70.4 | -25.7 | 169.4 | -169.2 | 60.1 | -162.2 | 0 | 0 | 112.4 | D299 R300 | E297-D299 PolarHBondContact O-N 3.36Å; E297-R300 VanDerWaalsContact CD-NH2 3.3Å; E297-R300 VanDerWaalsContact O-CB 3.26Å; E297-R300 WeakPolarHBondContact O-CB 3.46Å; E297-R300 PolarHBondContact O-N 3.45Å; E297-R300 IonicContact OE1-CZ 3.16Å; E297-R300 IonicContact OE1-NE 2.68Å; E297-R300 PolarHBondContact OE1-NE 3.24Å; E297-R300 IonicContact OE1-NH2 3.9Å; E297-R300 PolarHBondContact OE1-NH2 2.87Å; E297-R300 IonicContact OE2-CZ 3.49Å; E297-R300 IonicContact OE2-NE 3.93Å; E297-R300 IonicContact OE2-NH2 3.99Å; E297-R300 PolarHBondContact OE2-NH2 3.23Å |
| 298 | S | 93.3 | Very high | 94.8 | Very high | 93 Ų | 93 | 46.3 Ų | 46.3 | 65% | 0.65 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -68.1 | -26.7 | 178.7 | 72.2 | 0 | 0 | 0 | 0 | 112.7 | T296 R300 K301 | T296-S298 VanDerWaalsContact C-N 3.29Å; T296-S298 PolarHBondContact OG1-N 2.9Å; T296-S298 VanDerWaalsContact OG1-N 3.12Å; T296-S298 PolarHBondContact OG1-OG 3.29Å; S298-R300 PolarHBondContact O-N 3.36Å; S298-K301 PolarHBondContact O-N 2.96Å |
| 299 | D | 95.2 | Very high | 94.4 | Very high | 62 Ų | 62 | 40.1 Ų | 40.1 | 33% | 0.332 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -67.3 | -16.1 | 175.9 | -60.3 | -79.3 | 0 | 0 | 0 | 113.1 | F134 V295 T296 E297 K301 V302 | F134-D299 HydrophobicContact CD2-CB 3.78Å; F134-D299 HydrophobicContact CE2-CB 4.3Å; V295-D299 HydrophobicContact CG1-CB 4.07Å; T296-D299 WeakPolarHBondContact CA-OD2 3.4Å; T296-D299 WeakPolarHBondContact CB-OD2 3.49Å; T296-D299 PolarHBondContact N-OD2 2.95Å; T296-D299 PolarHBondContact OG1-OD2 2.88Å; E297-D299 PolarHBondContact O-N 3.36Å; D299-K301 PolarHBondContact O-N 3.43Å; D299-V302 WeakPolarHBondContact O-CG2 3.48Å; D299-V302 PolarHBondContact O-N 3.16Å |
| 300 | R | 95.1 | Very high | 93.9 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -54.4 | -23.4 | 174.3 | -170.3 | -179.2 | -60 | -71.9 | -3.8 | 112.4 | F134 E138 N167 E297 S298 V302 I303 Q304 | F134-R300 HydrophobicContact CE1-CB 4.42Å; F134-R300 HydrophobicContact CE1-CG 4.27Å; F134-R300 VanDerWaalsContact CE2-CA 3.47Å; F134-R300 HydrophobicContact CE2-CB 3.87Å; F134-R300 VanDerWaalsContact CE2-N 3.33Å; F134-R300 HydrophobicContact CZ-CB 3.62Å; F134-R300 HydrophobicContact CZ-CG 3.82Å; E138-R300 IonicContact OE2-NH1 2.9Å; E138-R300 PolarHBondContact OE2-NH1 3.2Å; E138-R300 IonicContact OE2-NH2 2.91Å; N167-R300 HydrophobicContact CB-CG 3.75Å; N167-R300 WeakPolarHBondContact O-CD 3.27Å; N167-R300 VanDerWaalsContact O-CG 3.31Å; N167-R300 WeakPolarHBondContact O-CG 3.47Å; N167-R300 PolarHBondContact O-NH1 3.44Å; E297-R300 VanDerWaalsContact CD-NH2 3.3Å; E297-R300 VanDerWaalsContact O-CB 3.26Å; E297-R300 WeakPolarHBondContact O-CB 3.46Å; E297-R300 PolarHBondContact O-N 3.45Å; E297-R300 IonicContact OE1-CZ 3.16Å; E297-R300 IonicContact OE1-NE 2.68Å; E297-R300 PolarHBondContact OE1-NE 3.24Å; E297-R300 IonicContact OE1-NH2 3.9Å; E297-R300 PolarHBondContact OE1-NH2 2.87Å; E297-R300 IonicContact OE2-CZ 3.49Å; E297-R300 IonicContact OE2-NE 3.93Å; E297-R300 IonicContact OE2-NH2 3.99Å; E297-R300 PolarHBondContact OE2-NH2 3.23Å; S298-R300 PolarHBondContact O-N 3.36Å; R300-V302 PolarHBondContact O-N 3.33Å; R300-V302 VanDerWaalsContact O-N 3.12Å; R300-I303 WeakPolarHBondContact O-CB 3.31Å; R300-I303 PolarHBondContact O-N 3.1Å; R300-Q304 PolarHBondContact O-N 3.09Å |
| 301 | K | 93 | Very high | 93.1 | Very high | 66 Ų | 66 | 44 Ų | 44 | 29% | 0.287 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -53.9 | -27.9 | 173.5 | -167.4 | 167.1 | -166.9 | 166 | 0 | 113.7 | S298 D299 I303 Q304 I305 D494 | S298-K301 PolarHBondContact O-N 2.96Å; D299-K301 PolarHBondContact O-N 3.43Å; K301-I303 VanDerWaalsContact C-N 3.26Å; K301-I303 PolarHBondContact O-N 2.97Å; K301-Q304 WeakPolarHBondContact O-CB 3.25Å; K301-Q304 PolarHBondContact O-N 3.47Å; K301-I305 HydrophobicContact CG-CD1 4.17Å; K301-I305 HydrophobicContact CG-CG1 4.47Å; K301-I305 WeakPolarHBondContact O-CD1 3.43Å; K301-I305 VanDerWaalsContact O-CG1 3.27Å; K301-I305 WeakPolarHBondContact O-CG1 3.45Å; K301-I305 PolarHBondContact O-N 3.37Å; K301-D494 VanDerWaalsContact CE-OD2 3.31Å; K301-D494 WeakPolarHBondContact CE-OD2 3.46Å; K301-D494 IonicContact NZ-OD2 3.71Å; K301-D494 PolarHBondContact NZ-OD2 3.31Å |
| 302 | V | 94.5 | Very high | 92.3 | Very high | 20 Ų | 20 | 44.5 Ų | 44.5 | 12% | 0.121 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.2 | -30 | 175.9 | -52.7 | 0 | 0 | 0 | 0 | 112.9 | P130 Q131 F134 D299 R300 L306 | P130-V302 HydrophobicContact CB-CG1 4.21Å; Q131-V302 HydrophobicContact CG-CB 4.15Å; Q131-V302 HydrophobicContact CG-CG2 4.25Å; F134-V302 HydrophobicContact CB-CG2 3.69Å; F134-V302 HydrophobicContact CG-CG2 4.14Å; D299-V302 WeakPolarHBondContact O-CG2 3.48Å; D299-V302 PolarHBondContact O-N 3.16Å; R300-V302 PolarHBondContact O-N 3.33Å; R300-V302 VanDerWaalsContact O-N 3.12Å; V302-L306 PolarHBondContact O-N 3.13Å; V302-L306 VanDerWaalsContact O-N 3.1Å |
| 303 | I | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -77 | -40.1 | 175.1 | -58.9 | -57.2 | 0 | 0 | 0 | 110.5 | F134 V135 L163 N167 R300 K301 I305 L306 L307 | F134-I303 HydrophobicContact CD1-CD1 3.93Å; F134-I303 HydrophobicContact CD1-CG1 3.39Å; F134-I303 HydrophobicContact CE1-CG1 3.67Å; F134-I303 HydrophobicContact CG-CG1 4.33Å; V135-I303 HydrophobicContact CG2-CD1 3.93Å; L163-I303 HydrophobicContact CD1-CG2 3.94Å; L163-I303 HydrophobicContact CD2-CG2 4.08Å; N167-I303 HydrophobicContact CB-CB 4.15Å; N167-I303 HydrophobicContact CB-CG2 3.88Å; R300-I303 WeakPolarHBondContact O-CB 3.31Å; R300-I303 PolarHBondContact O-N 3.1Å; K301-I303 VanDerWaalsContact C-N 3.26Å; K301-I303 PolarHBondContact O-N 2.97Å; I303-I305 VanDerWaalsContact C-N 3.29Å; I303-I305 PolarHBondContact O-N 2.81Å; I303-L306 WeakPolarHBondContact O-CB 3.34Å; I303-L306 PolarHBondContact O-N 3.23Å; I303-L307 HydrophobicContact CG2-CD1 4.23Å; I303-L307 HydrophobicContact CG2-CG 4.38Å; I303-L307 WeakPolarHBondContact O-CG 3.4Å; I303-L307 PolarHBondContact O-N 3.34Å |
| 304 | Q | 92.1 | Very high | 89.9 | Confident | 53 Ų | 53 | 52 Ų | 52 | 25% | 0.248 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 171 | -172.1 | -170.8 | 1.8 | 0 | 0 | 111.2 | N167 R300 K301 L307 C308 | N167-Q304 WeakPolarHBondContact OD1-CA 3.47Å; N167-Q304 PolarHBondContact OD1-N 3.23Å; R300-Q304 PolarHBondContact O-N 3.09Å; K301-Q304 WeakPolarHBondContact O-CB 3.25Å; K301-Q304 PolarHBondContact O-N 3.47Å; Q304-L307 PolarHBondContact O-N 3.34Å; Q304-C308 WeakPolarHBondContact O-CB 3.47Å; Q304-C308 PolarHBondContact O-N 3.28Å; Q304-C308 PolarHBondContact O-SG 2.94Å |
| 305 | I | 91.6 | Very high | 88.8 | Confident | 29 Ų | 29 | 50.7 Ų | 50.7 | 15% | 0.149 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 175 | -66.9 | 159.5 | 0 | 0 | 0 | 111.4 | K301 I303 C308 E309 I348 F491 I493 | K301-I305 HydrophobicContact CG-CD1 4.17Å; K301-I305 HydrophobicContact CG-CG1 4.47Å; K301-I305 WeakPolarHBondContact O-CD1 3.43Å; K301-I305 VanDerWaalsContact O-CG1 3.27Å; K301-I305 WeakPolarHBondContact O-CG1 3.45Å; K301-I305 PolarHBondContact O-N 3.37Å; I303-I305 VanDerWaalsContact C-N 3.29Å; I303-I305 PolarHBondContact O-N 2.81Å; I305-C308 PolarHBondContact O-N 2.87Å; I305-E309 WeakPolarHBondContact O-CB 3.35Å; I305-E309 PolarHBondContact O-N 2.84Å; I305-I348 HydrophobicContact CD1-CD1 3.6Å; I305-F491 HydrophobicContact CG2-CE2 4.44Å; I305-I493 HydrophobicContact CB-CD1 4.05Å; I305-I493 HydrophobicContact CG1-CD1 3.53Å |
| 306 | L | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 178.2 | -176.8 | 64.1 | 0 | 0 | 0 | 112.3 | L116 I119 L123 L127 L163 V302 I303 E309 V310 | L116-L306 HydrophobicContact CD2-CD2 4.42Å; I119-L306 HydrophobicContact CG2-CD1 3.8Å; I119-L306 HydrophobicContact CG2-CD2 4.25Å; I119-L306 HydrophobicContact CG2-CG 3.98Å; L123-L306 HydrophobicContact CD1-CD1 3.58Å; L127-L306 HydrophobicContact CD2-CD1 3.91Å; L127-L306 HydrophobicContact CD2-CD2 3.79Å; L163-L306 HydrophobicContact CD1-CD2 4.14Å; V302-L306 PolarHBondContact O-N 3.13Å; V302-L306 VanDerWaalsContact O-N 3.1Å; I303-L306 WeakPolarHBondContact O-CB 3.34Å; I303-L306 PolarHBondContact O-N 3.23Å; L306-E309 PolarHBondContact O-N 3.16Å; L306-V310 PolarHBondContact O-N 2.88Å |
| 307 | L | 92.2 | Very high | 86.1 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.6 | -32.1 | 178.9 | -69 | -178 | 0 | 0 | 0 | 112.8 | I119 L163 T164 I303 Q304 V310 N311 | I119-L307 HydrophobicContact CD1-CD2 4.29Å; L163-L307 HydrophobicContact CB-CD1 4.48Å; L163-L307 HydrophobicContact CB-CD2 4.21Å; L163-L307 HydrophobicContact CD1-CD2 3.84Å; L163-L307 HydrophobicContact CD1-CG 4.25Å; T164-L307 WeakPolarHBondContact O-CD1 3.2Å; I303-L307 HydrophobicContact CG2-CD1 4.23Å; I303-L307 HydrophobicContact CG2-CG 4.38Å; I303-L307 WeakPolarHBondContact O-CG 3.4Å; I303-L307 PolarHBondContact O-N 3.34Å; Q304-L307 PolarHBondContact O-N 3.34Å; L307-V310 WeakPolarHBondContact O-CG1 3.45Å; L307-N311 WeakPolarHBondContact O-CB 3.48Å; L307-N311 PolarHBondContact O-N 2.84Å; L307-N311 PolarHBondContact O-ND2 3.23Å |
| 308 | C | 89.3 | Confident | 84.5 | Confident | 36 Ų | 36 | 51.1 Ų | 51.1 | 24% | 0.243 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.4 | -35.4 | 170.8 | -70 | 0 | 0 | 0 | 0 | 112.1 | Q304 I305 A312 F491 I493 | Q304-C308 WeakPolarHBondContact O-CB 3.47Å; Q304-C308 PolarHBondContact O-N 3.28Å; Q304-C308 PolarHBondContact O-SG 2.94Å; I305-C308 PolarHBondContact O-N 2.87Å; C308-A312 WeakPolarHBondContact O-CB 3.25Å; C308-A312 PolarHBondContact O-N 3.09Å; C308-A312 VanDerWaalsContact O-N 3.17Å; C308-F491 HydrophobicContact CB-CB 4.2Å; C308-F491 HydrophobicContact CB-CD2 3.46Å; C308-F491 VanDerWaalsContact CB-CD2 3.46Å; C308-F491 HydrophobicContact CB-CE2 4.05Å; C308-F491 HydrophobicContact CB-CG 4.05Å; C308-F491 WeakPolarHBondContact O-CB 3.44Å; C308-I493 HydrophobicContact CB-CD1 3.86Å; C308-I493 HydrophobicContact CB-CG1 4Å |
| 309 | E | 88.2 | Confident | 82.9 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 3% | 0.033 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.9 | -42.6 | 178.3 | -170.1 | -179.6 | -172.9 | 0 | 0 | 112.4 | L123 K125 I305 L306 N311 A312 R489 F491 T500 | L123-E309 HydrophobicContact CD2-CB 4.41Å; L123-E309 HydrophobicContact CD2-CG 3.83Å; K125-E309 WeakPolarHBondContact CE-OE2 3.24Å; K125-E309 IonicContact NZ-OE1 3.99Å; K125-E309 PolarHBondContact NZ-OE1 3.2Å; K125-E309 IonicContact NZ-OE2 2.6Å; K125-E309 PolarHBondContact NZ-OE2 3.49Å; I305-E309 WeakPolarHBondContact O-CB 3.35Å; I305-E309 PolarHBondContact O-N 2.84Å; L306-E309 PolarHBondContact O-N 3.16Å; E309-N311 VanDerWaalsContact C-N 3.27Å; E309-N311 PolarHBondContact O-N 3.33Å; E309-A312 WeakPolarHBondContact O-CB 3.45Å; E309-A312 PolarHBondContact O-N 3.24Å; E309-R489 WeakPolarHBondContact O-CD 3.45Å; E309-F491 HydrophobicContact CB-CD1 4.43Å; E309-F491 HydrophobicContact CB-CE1 3.81Å; E309-F491 HydrophobicContact CB-CZ 3.9Å; E309-F491 HydrophobicContact CG-CE1 3.85Å; E309-F491 HydrophobicContact CG-CZ 4.27Å; E309-T500 PolarHBondContact OE1-OG1 3.09Å |
| 310 | V | 87.2 | Confident | 80.7 | Confident | 42 Ų | 42 | 53.1 Ų | 53.1 | 26% | 0.255 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.1 | -28.1 | 179.2 | 73.7 | 0 | 0 | 0 | 0 | 112.6 | I119 A122 L123 L306 L307 | I119-V310 HydrophobicContact CG2-CB 4.43Å; I119-V310 HydrophobicContact CG2-CG2 4.42Å; A122-V310 HydrophobicContact CB-CG2 3.93Å; L123-V310 HydrophobicContact CD1-CB 4.46Å; L123-V310 HydrophobicContact CD2-CB 4.09Å; L123-V310 HydrophobicContact CD2-CG2 4.36Å; L123-V310 HydrophobicContact CG-CB 4.22Å; L123-V310 HydrophobicContact CG-CG2 4.25Å; L306-V310 PolarHBondContact O-N 2.88Å; L307-V310 WeakPolarHBondContact O-CG1 3.45Å |
| 311 | N | 82.5 | Confident | 78.2 | Confident | 119 Ų | 119 | 56.9 Ų | 56.9 | 64% | 0.636 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 9.2 | 176.5 | -67.4 | -59.2 | 0 | 0 | 0 | 113.7 | L307 E309 | L307-N311 WeakPolarHBondContact O-CB 3.48Å; L307-N311 PolarHBondContact O-N 2.84Å; L307-N311 PolarHBondContact O-ND2 3.23Å; E309-N311 VanDerWaalsContact C-N 3.27Å; E309-N311 PolarHBondContact O-N 3.33Å |
| 312 | A | 79.8 | Confident | 76.1 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -75.7 | 149.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | C308 E309 I314 R489 F491 | C308-A312 WeakPolarHBondContact O-CB 3.25Å; C308-A312 PolarHBondContact O-N 3.09Å; C308-A312 VanDerWaalsContact O-N 3.17Å; E309-A312 WeakPolarHBondContact O-CB 3.45Å; E309-A312 PolarHBondContact O-N 3.24Å; A312-I314 PolarHBondContact O-N 3.04Å; A312-R489 HydrophobicContact CB-CB 3.75Å; A312-R489 HydrophobicContact CB-CG 4.28Å; A312-F491 HydrophobicContact CB-CB 3.92Å; A312-F491 HydrophobicContact CB-CD1 3.64Å; A312-F491 HydrophobicContact CB-CG 4.19Å |
| 313 | D | 71.9 | Confident | 73.8 | Confident | 128 Ų | 128 | 59.9 Ų | 59.9 | 68% | 0.684 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 119.9 | 169.6 | -77.2 | -31.9 | 0 | 0 | 0 | 110.1 | R489 R490 | D313-R489 WeakPolarHBondContact O-CA 3.42Å; D313-R490 PolarHBondContact N-O 3.02Å; D313-R490 PolarHBondContact O-N 3.36Å; D313-R490 VanDerWaalsContact O-N 3.11Å |
| 314 | I | 73.9 | Confident | 71.2 | Confident | 99 Ų | 99 | 66 Ų | 66 | 51% | 0.508 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 112.4 | -179.6 | -53.1 | 176.5 | 0 | 0 | 0 | 109.8 | A312 R487 R489 | A312-I314 PolarHBondContact O-N 3.04Å; I314-R487 HydrophobicContact CG2-CB 4.22Å; I314-R487 HydrophobicContact CG2-CG 4.17Å; I314-R489 HydrophobicContact CG1-CG 4.23Å |
| 315 | I | 69.7 | Low | 68.6 | Low | 64 Ų | 64 | 70.6 Ų | 70.6 | 33% | 0.328 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 120.9 | 164.5 | -61.5 | 172.9 | 0 | 0 | 0 | 107.7 | T317 R487 T488 | I315-T317 HydrophobicContact CG2-CG2 4.36Å; I315-R487 CarbonylContact O-C 3.47Å; I315-R487 WeakPolarHBondContact O-CA 3.34Å; I315-T488 PolarHBondContact N-O 2.97Å; I315-T488 PolarHBondContact O-N 3.25Å |
| 316 | E | 71.7 | Confident | 65.8 | Low | 88 Ų | 88 | 73.3 Ų | 73.3 | 41% | 0.411 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 116.1 | 175.3 | -166.2 | -177.4 | 121 | 0 | 0 | 110.3 | R485 R487 | E316-R485 HydrophobicContact CG-CG 3.94Å; E316-R485 VanDerWaalsContact OE1-CD 3.24Å; E316-R485 WeakPolarHBondContact OE1-CD 3.43Å; E316-R485 IonicContact OE1-CZ 3.66Å; E316-R485 VanDerWaalsContact OE1-CZ 3.29Å; E316-R485 IonicContact OE1-NE 3.41Å; E316-R485 PolarHBondContact OE1-NE 2.69Å; E316-R485 IonicContact OE1-NH2 3.8Å; E316-R485 PolarHBondContact OE1-NH2 3.16Å; E316-R485 IonicContact OE2-CZ 3.91Å; E316-R485 IonicContact OE2-NE 2.64Å; E316-R485 PolarHBondContact OE2-NE 3.49Å; E316-R485 IonicContact OE2-NH1 3.41Å; E316-R485 IonicContact OE2-NH2 3.88Å; E316-R485 PolarHBondContact OE2-NH2 3.2Å; E316-R487 HydrophobicContact CG-CG 4.26Å; E316-R487 IonicContact OE2-NE 3.98Å |
| 317 | T | 64.4 | Low | 63.1 | Low | 58 Ų | 58 | 80.9 Ų | 80.9 | 36% | 0.356 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 155.6 | 168.1 | 55.1 | 0 | 0 | 0 | 0 | 109.7 | I315 T486 | I315-T317 HydrophobicContact CG2-CG2 4.36Å; T317-T486 PolarHBondContact N-O 2.84Å; T317-T486 PolarHBondContact O-N 2.84Å; T317-T486 WeakPolarHBondContact OG1-CB 3.22Å; T317-T486 PolarHBondContact OG1-O 2.92Å |
| 318 | V | 61.1 | Low | 60.3 | Low | 55 Ų | 55 | 86.8 Ų | 86.8 | 33% | 0.333 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 120 | -179.6 | -150 | 0 | 0 | 0 | 0 | 107.4 | R483 T484 R485 | V318-R483 VanDerWaalsContact C-NE 3.34Å; V318-R483 VanDerWaalsContact CG1-CD 3.47Å; V318-R483 HydrophobicContact CG1-CG 3.81Å; V318-R483 VanDerWaalsContact CG1-NE 3.33Å; V318-R483 PolarHBondContact O-NE 3.02Å; V318-R483 PolarHBondContact O-NH2 3.39Å; V318-T484 CarbonylContact C-O 3.51Å; V318-T484 VanDerWaalsContact CA-O 3.28Å; V318-T484 WeakPolarHBondContact CA-O 3.49Å; V318-R485 HydrophobicContact CG1-CB 4.1Å |
| 319 | E | 58.9 | Low | 57.7 | Low | 102 Ų | 102 | 94 Ų | 94 | 48% | 0.477 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 128.1 | -168.8 | -67.9 | 173 | 159.9 | 0 | 0 | 111.2 | R483 T484 | E319-R483 CarbonylContact O-C 3.53Å; E319-R483 VanDerWaalsContact O-CA 3.3Å; E319-R483 WeakPolarHBondContact O-CA 3.23Å; E319-R483 WeakPolarHBondContact O-CG 3.34Å; E319-T484 PolarHBondContact N-O 3.32Å; E319-T484 PolarHBondContact O-N 3.3Å |
| 320 | D | 49.9 | Very low | 55.1 | Low | 94 Ų | 94 | 98.8 Ų | 98.8 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 131.4 | 177.3 | -61.6 | -57.1 | 0 | 0 | 0 | 110.2 | D322 R483 | D320-D322 PolarHBondContact O-N 2.79Å; D320-R483 VanDerWaalsContact OD1-CD 3.25Å; D320-R483 WeakPolarHBondContact OD1-CD 3.5Å; D320-R483 WeakPolarHBondContact OD1-CG 3.42Å; D320-R483 IonicContact OD1-CZ 2.74Å; D320-R483 VanDerWaalsContact OD1-CZ 3.31Å; D320-R483 IonicContact OD1-NE 3.67Å; D320-R483 IonicContact OD1-NH1 3.53Å; D320-R483 PolarHBondContact OD1-NH1 3.18Å; D320-R483 IonicContact OD2-CZ 3.83Å; D320-R483 IonicContact OD2-NH1 3.56Å; D320-R483 PolarHBondContact OD2-NH1 3.16Å; D320-R483 IonicContact OD2-NH2 2.71Å |
| 321 | F | 42.2 | Very low | 52.5 | Low | 113 Ų | 113 | 101.6 Ų | 101.6 | 50% | 0.496 | 53% | 0.532 | S | S | . | . | trans | -68.9 | 127.3 | -176.4 | -176.2 | -87.9 | 0 | 0 | 0 | 110.7 | P323 S480 Y482 | F321-P323 WeakPolarHBondContact O-CD 3.45Å; F321-S480 PolarHBondContact N-OG 2.71Å; F321-S480 VanDerWaalsContact O-CB 3.26Å; F321-S480 WeakPolarHBondContact O-CB 3.49Å; F321-S480 PolarHBondContact O-OG 2.97Å; F321-Y482 VanDerWaalsContact CB-O 3.27Å; F321-Y482 WeakPolarHBondContact CB-O 3.45Å; F321-Y482 PolarHBondContact N-O 3.47Å | ||
| 322 | D | 47.4 | Very low | 50.4 | Low | 66 Ų | 66 | 102.6 Ų | 102.6 | 35% | 0.353 | 54% | 0.537 | S | S | . | . | trans | -87.4 | 115.5 | 179.5 | -162.6 | -33.2 | 0 | 0 | 0 | 110.6 | D320 N324 E325 | D320-D322 PolarHBondContact O-N 2.79Å; D322-N324 PolarHBondContact O-N 3.46Å; D322-N324 WeakPolarHBondContact OD1-CB 3.24Å; D322-N324 PolarHBondContact OD1-N 2.92Å; D322-N324 PolarHBondContact OD1-ND2 2.86Å; D322-E325 PolarHBondContact O-N 3.13Å | ||
| 323 | P | 47.9 | Very low | 48.3 | Very low | 84 Ų | 84 | 106.9 Ų | 106.9 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.1 | 7.7 | 179.6 | 32.6 | -37.5 | 0 | 0 | 0 | 114.4 | F321 | F321-P323 WeakPolarHBondContact O-CD 3.45Š|
| 324 | N | 39.4 | Very low | 46.4 | Very low | 128 Ų | 128 | 107.1 Ų | 107.1 | 68% | 0.684 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 1.3 | 177 | -52 | -88.3 | 0 | 0 | 0 | 114 | D322 | D322-N324 PolarHBondContact O-N 3.46Å; D322-N324 WeakPolarHBondContact OD1-CB 3.24Å; D322-N324 PolarHBondContact OD1-N 2.92Å; D322-N324 PolarHBondContact OD1-ND2 2.86Å |
| 325 | E | 38.7 | Very low | 44.4 | Very low | 149 Ų | 149 | 108 Ų | 108 | 70% | 0.696 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -68.3 | 131.9 | 159.7 | -75.4 | -167.4 | 154 | 0 | 0 | 108.6 | D322 I327 | D322-E325 PolarHBondContact O-N 3.13Å; E325-I327 PolarHBondContact O-N 3.26Å |
| 326 | P | 32.8 | Very low | 42.7 | Very low | 87 Ų | 87 | 108.9 Ų | 108.9 | 57% | 0.565 | 57% | 0.57 | S | S | * | * | trans | -62.1 | 136.6 | -178.9 | -21.2 | 32.5 | 0 | 0 | 0 | 111.4 | D328 | P326-D328 HydrophobicContact CB-CB 4.02Å; P326-D328 VanDerWaalsContact CB-OD2 3.25Å; P326-D328 WeakPolarHBondContact CB-OD2 3.39Å; P326-D328 PolarHBondContact O-N 3.47Å | ||
| 327 | I | 36.7 | Very low | 40.9 | Very low | 159 Ų | 159 | 107.2 Ų | 107.2 | 82% | 0.815 | 57% | 0.567 | S | S | * | * | trans | -82.4 | 41.1 | 167 | -42 | 173.8 | 0 | 0 | 0 | 108.6 | E325 E329 | E325-I327 PolarHBondContact O-N 3.26Å; I327-E329 PolarHBondContact O-N 3.02Å | ||
| 328 | D | 33.3 | Very low | 39.3 | Very low | 132 Ų | 132 | 109.6 Ų | 109.6 | 71% | 0.706 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -78.5 | 90.8 | 178.2 | -72.1 | -21.1 | 0 | 0 | 0 | 107.2 | P326 I330 | P326-D328 HydrophobicContact CB-CB 4.02Å; P326-D328 VanDerWaalsContact CB-OD2 3.25Å; P326-D328 WeakPolarHBondContact CB-OD2 3.39Å; P326-D328 PolarHBondContact O-N 3.47Å; D328-I330 PolarHBondContact O-N 3.42Å |
| 329 | E | 34.8 | Very low | 37.7 | Very low | 188 Ų | 188 | 114.7 Ų | 114.7 | 88% | 0.879 | 60% | 0.601 | S | S | * | * | trans | 41.5 | 60.4 | 167.4 | -64.6 | 178.1 | 179.6 | 0 | 0 | 113.4 | I327 D331 | I327-E329 PolarHBondContact O-N 3.02Å; E329-D331 PolarHBondContact O-N 2.92Å | ||
| 330 | I | 32.7 | Very low | 36.3 | Very low | 107 Ų | 107 | 117.4 Ų | 117.4 | 55% | 0.549 | 62% | 0.618 | S | S | . | * | trans | -63 | 92.9 | 163.5 | -61.6 | 169.1 | 0 | 0 | 0 | 106.5 | D328 D334 | D328-I330 PolarHBondContact O-N 3.42Å; I330-D334 HydrophobicContact CG2-CB 3.74Å | ||
| 331 | D | 32.6 | Very low | 35.2 | Very low | 101 Ų | 101 | 117.5 Ų | 117.5 | 54% | 0.54 | 63% | 0.625 | S | S | . | * | trans | -45.8 | 137.4 | 165.4 | 178.6 | 23.4 | 0 | 0 | 0 | 108.7 | E329 N333 D334 | E329-D331 PolarHBondContact O-N 2.92Å; D331-N333 VanDerWaalsContact CG-ND2 3.34Å; D331-N333 PolarHBondContact O-N 2.72Å; D331-N333 PolarHBondContact OD1-ND2 2.93Å; D331-N333 PolarHBondContact OD2-ND2 3.22Å; D331-D334 PolarHBondContact O-N 2.9Å | ||
| 332 | D | 37.7 | Very low | 34.7 | Very low | 141 Ų | 141 | 119.3 Ų | 119.3 | 75% | 0.754 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -57 | -13 | -171.7 | -74.6 | -54.9 | 0 | 0 | 0 | 113 | ||
| 333 | N | 36.5 | Very low | 33.7 | Very low | 102 Ų | 102 | 121 Ų | 121 | 55% | 0.545 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -67.3 | -25.4 | 172.4 | -67.4 | -52.2 | 0 | 0 | 0 | 115.4 | D331 L335 N336 | D331-N333 VanDerWaalsContact CG-ND2 3.34Å; D331-N333 PolarHBondContact O-N 2.72Å; D331-N333 PolarHBondContact OD1-ND2 2.93Å; D331-N333 PolarHBondContact OD2-ND2 3.22Å; N333-L335 VanDerWaalsContact C-N 3.34Å; N333-L335 PolarHBondContact O-N 3.46Å; N333-N336 WeakPolarHBondContact O-CB 3.38Å; N333-N336 PolarHBondContact O-N 3.11Å; N333-N336 PolarHBondContact O-ND2 3.5Å |
| 334 | D | 31.5 | Very low | 32.8 | Very low | 133 Ų | 133 | 122 Ų | 122 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -88.1 | 3 | -174.3 | -110 | -1.9 | 0 | 0 | 0 | 114.4 | I330 D331 N336 | I330-D334 HydrophobicContact CG2-CB 3.74Å; D331-D334 PolarHBondContact O-N 2.9Å; D334-N336 PolarHBondContact O-N 3.04Å |
| 335 | L | 32.7 | Very low | 32.1 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 61% | 0.613 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -71.6 | 2.8 | 161.1 | -84.7 | 166.6 | 0 | 0 | 0 | 113.1 | N333 P337 | N333-L335 VanDerWaalsContact C-N 3.34Å; N333-L335 PolarHBondContact O-N 3.46Å; L335-P337 WeakPolarHBondContact O-CD 3.47Å |
| 336 | N | 33.5 | Very low | 31.4 | Very low | 83 Ų | 83 | 122.5 Ų | 122.5 | 44% | 0.444 | 66% | 0.66 | S | S | . | * | trans | -85 | 110.2 | 177.8 | -81 | -54.2 | 0 | 0 | 0 | 113.4 | N333 D334 L338 | N333-N336 WeakPolarHBondContact O-CB 3.38Å; N333-N336 PolarHBondContact O-N 3.11Å; N333-N336 PolarHBondContact O-ND2 3.5Å; D334-N336 PolarHBondContact O-N 3.04Å; N336-L338 PolarHBondContact O-N 3.47Å; N336-L338 VanDerWaalsContact O-N 3.08Å | ||
| 337 | P | 33.8 | Very low | 31 | Very low | 52 Ų | 52 | 123.9 Ų | 123.9 | 34% | 0.338 | 67% | 0.671 | S | S | . | * | trans | -77.1 | 95.8 | 168.2 | 32.3 | -32.7 | 0 | 0 | 0 | 110.1 | L335 K503 | L335-P337 WeakPolarHBondContact O-CD 3.47Å; P337-K503 HydrophobicContact CB-CB 4.04Å; P337-K503 HydrophobicContact CB-CD 4.17Å; P337-K503 HydrophobicContact CB-CG 3.95Å; P337-K503 HydrophobicContact CG-CB 4.44Å | ||
| 338 | L | 32 | Very low | 30.6 | Very low | 109 Ų | 109 | 119.9 Ų | 119.9 | 57% | 0.571 | 65% | 0.651 | S | S | * | * | trans | 178.7 | 85.9 | 148.7 | -98 | 160.4 | 0 | 0 | 0 | 112.8 | N336 L340 | N336-L338 PolarHBondContact O-N 3.47Å; N336-L338 VanDerWaalsContact O-N 3.08Å; L338-L340 PolarHBondContact O-N 3.4Å | ||
| 339 | I | 26.5 | Very low | 30.3 | Very low | 162 Ų | 162 | 119.1 Ų | 119.1 | 83% | 0.831 | 65% | 0.653 | S | S | * | * | trans | -78.3 | 115.5 | 155.4 | -65.6 | 176.5 | 0 | 0 | 0 | 107.8 | S341 | I339-S341 PolarHBondContact O-N 2.93Š| ||
| 340 | L | 30.3 | Very low | 30.3 | Very low | 159 Ų | 159 | 113.9 Ų | 113.9 | 83% | 0.832 | 63% | 0.634 | S | S | * | * | trans | -67.7 | 95.6 | 164.7 | -86.5 | 152 | 0 | 0 | 0 | 109 | L338 D342 | L338-L340 PolarHBondContact O-N 3.4Å; L340-D342 PolarHBondContact O-N 3.17Å | ||
| 341 | S | 26.6 | Very low | 30 | Very low | 95 Ų | 95 | 117.1 Ų | 117.1 | 66% | 0.664 | 65% | 0.646 | S | S | * | * | trans | -60.5 | 125.6 | 165.2 | 52.4 | 0 | 0 | 0 | 0 | 109.1 | I339 S343 | I339-S341 PolarHBondContact O-N 2.93Å; S341-S343 PolarHBondContact O-N 3.01Å | ||
| 342 | D | 31.7 | Very low | 30.1 | Very low | 151 Ų | 151 | 115.9 Ų | 115.9 | 81% | 0.807 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -71.9 | 56 | -160.3 | -162.9 | 14.7 | 0 | 0 | 0 | 114.5 | L340 | L340-D342 PolarHBondContact O-N 3.17Š|
| 343 | S | 26.8 | Very low | 29.9 | Very low | 102 Ų | 102 | 111 Ų | 111 | 71% | 0.713 | 61% | 0.614 | S | S | * | * | trans | -141.7 | 52.5 | -172.6 | -66.2 | 0 | 0 | 0 | 0 | 111.5 | S341 | S341-S343 PolarHBondContact O-N 3.01Š| ||
| 344 | T | 27.4 | Very low | 29.7 | Very low | 104 Ų | 104 | 109 Ų | 109 | 64% | 0.638 | 61% | 0.607 | S | S | * | * | 176.6 | 126.8 | 116.9 | -56.6 | 0 | 0 | 0 | 0 | 108.3 | L346 Q496 | T344-L346 PolarHBondContact O-N 3.04Å; T344-Q496 HydrophobicContact CG2-CG 4.36Å | |||
| 345 | K | 25.3 | Very low | 29.8 | Very low | 194 Ų | 194 | 107.6 Ų | 107.6 | 84% | 0.843 | 60% | 0.599 | S | S | * | * | trans | -66.8 | 105.7 | 179.2 | -70.2 | -179 | 177 | 179.8 | 0 | 111.8 | ||||
| 346 | L | 24.8 | Very low | 30.1 | Very low | 94 Ų | 94 | 107.7 Ų | 107.7 | 49% | 0.492 | 60% | 0.601 | S | S | . | * | trans | -141.6 | 97.9 | 150.6 | -128.5 | 160.1 | 0 | 0 | 0 | 108.2 | T344 I348 | T344-L346 PolarHBondContact O-N 3.04Å; L346-I348 HydrophobicContact CD2-CG1 4.47Å; L346-I348 PolarHBondContact O-N 3.44Å | ||
| 347 | S | 23.7 | Very low | 30 | Very low | 116 Ų | 116 | 106.3 Ų | 106.3 | 81% | 0.811 | 61% | 0.606 | S | S | * | * | trans | -76.3 | 87.2 | -175 | 53.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 348 | I | 28.9 | Very low | 29.8 | Very low | 76 Ų | 76 | 111.7 Ų | 111.7 | 39% | 0.39 | 63% | 0.632 | S | S | . | * | trans | -101.8 | 108.9 | 159.2 | -55.4 | 178.5 | 0 | 0 | 0 | 105.9 | I305 L346 V350 | I305-I348 HydrophobicContact CD1-CD1 3.6Å; L346-I348 HydrophobicContact CD2-CG1 4.47Å; L346-I348 PolarHBondContact O-N 3.44Å; I348-V350 HydrophobicContact CG2-CG2 3.93Å; I348-V350 PolarHBondContact O-N 3.36Å; I348-V350 VanDerWaalsContact O-N 3.13Å | ||
| 349 | P | 27 | Very low | 29.7 | Very low | 115 Ų | 115 | 113.4 Ų | 113.4 | 75% | 0.747 | 64% | 0.642 | S | S | * | * | trans | -64.9 | 113 | 174 | -19.5 | 32.9 | 0 | 0 | 0 | 109.4 | ||||
| 350 | V | 34.4 | Very low | 29.8 | Very low | 78 Ų | 78 | 113.7 Ų | 113.7 | 47% | 0.473 | 65% | 0.645 | S | S | . | * | trans | -117.7 | 87.4 | 176.7 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | T128 I348 M352 | T128-V350 HydrophobicContact CG2-CG1 4.46Å; I348-V350 HydrophobicContact CG2-CG2 3.93Å; I348-V350 PolarHBondContact O-N 3.36Å; I348-V350 VanDerWaalsContact O-N 3.13Å; V350-M352 HydrophobicContact CG1-CB 4.03Å; V350-M352 HydrophobicContact CG1-CG 3.47Å; V350-M352 VanDerWaalsContact CG1-CG 3.47Å; V350-M352 HydrophobicContact CG1-SD 3.61Å | ||
| 351 | E | 25.7 | Very low | 29.8 | Very low | 175 Ų | 175 | 112.6 Ų | 112.6 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | trans | -67.8 | 125.9 | 159 | -68.8 | 176.6 | 149.4 | 0 | 0 | 107.2 | ||||
| 352 | M | 34.4 | Very low | 30 | Very low | 76 Ų | 76 | 115 Ų | 115 | 37% | 0.374 | 65% | 0.65 | S | S | . | * | trans | -146.8 | 160.6 | -171.6 | -107.2 | -166.8 | 84.9 | 0 | 0 | 113.5 | K125 T128 V350 | K125-M352 HydrophobicContact CD-CE 4.31Å; T128-M352 HydrophobicContact CG2-CE 4.01Å; T128-M352 HydrophobicContact CG2-CG 3.69Å; T128-M352 HydrophobicContact CG2-SD 3.32Å; T128-M352 WeakPolarHBondContact CG2-SD 3.49Å; V350-M352 HydrophobicContact CG1-CB 4.03Å; V350-M352 HydrophobicContact CG1-CG 3.47Å; V350-M352 VanDerWaalsContact CG1-CG 3.47Å; V350-M352 HydrophobicContact CG1-SD 3.61Å | ||
| 353 | V | 35.1 | Very low | 29.7 | Very low | 38 Ų | 38 | 114 Ų | 114 | 23% | 0.23 | 65% | 0.645 | C | S | . | * | trans | -117.2 | 135.6 | -151.7 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | L260 W261 | L260-V353 HydrophobicContact CB-CG1 4.29Å; L260-V353 HydrophobicContact CB-CG2 4.04Å; L260-V353 HydrophobicContact CD1-CG1 3.78Å; W261-V353 HydrophobicContact CH2-CG2 4.5Å; W261-V353 HydrophobicContact CZ2-CG2 4.04Å | ||
| 354 | C | 32.2 | Very low | 29.9 | Very low | 60 Ų | 60 | 117.4 Ų | 117.4 | 41% | 0.405 | 65% | 0.649 | S | S | . | * | trans | -89.5 | 149.5 | 173.2 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | R257 | R257-C354 PolarHBondContact NH1-O 3.16Š| ||
| 355 | D | 34.2 | Very low | 29.7 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 55% | 0.551 | 65% | 0.653 | S | S | * | * | trans | -142.1 | 108.9 | 171.1 | -171.1 | 43.1 | 0 | 0 | 0 | 111.2 | R257 | R257-D355 IonicContact CZ-OD1 3.79Å; R257-D355 IonicContact NH1-OD1 3.22Å; R257-D355 PolarHBondContact NH1-OD1 3.2Å; R257-D355 IonicContact NH2-OD1 2.69Å; R257-D355 PolarHBondContact NH2-OD1 2.73Å | ||
| 356 | D | 37.5 | Very low | 29.9 | Very low | 120 Ų | 120 | 118.6 Ų | 118.6 | 64% | 0.642 | 65% | 0.652 | S | S | * | * | trans | -139.1 | 148 | 166.4 | -88.5 | -53.1 | 0 | 0 | 0 | 107.7 | R257 | R257-D356 PolarHBondContact NH2-O 3.08Š| ||
| 357 | G | 30.9 | Very low | 29.9 | Very low | 54 Ų | 54 | 121.3 Ų | 121.3 | 56% | 0.557 | 67% | 0.667 | S | S | * | * | trans | 83.7 | 104.7 | 169 | 0 | 0 | 0 | 0 | 0 | 116.9 | D359 | G357-D359 PolarHBondContact O-N 3.45Š| ||
| 358 | D | 30.3 | Very low | 30 | Very low | 164 Ų | 164 | 122.2 Ų | 122.2 | 88% | 0.877 | 67% | 0.668 | S | S | * | * | trans | -76.4 | 93.6 | 154.2 | -70.8 | -59.3 | 0 | 0 | 0 | 107.9 | ||||
| 359 | D | 31 | Very low | 29.8 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 78% | 0.781 | 69% | 0.688 | S | S | * | * | trans | -100.4 | 121.4 | 171.1 | -82.7 | -34.6 | 0 | 0 | 0 | 110.9 | G357 V361 | G357-D359 PolarHBondContact O-N 3.45Å; D359-V361 PolarHBondContact O-N 2.88Å; D359-V361 VanDerWaalsContact O-N 3.16Å | ||
| 360 | D | 27.9 | Very low | 29.6 | Very low | 167 Ų | 167 | 124.1 Ų | 124.1 | 89% | 0.893 | 69% | 0.688 | S | S | * | * | trans | -68.6 | 103.6 | 171.5 | -74.9 | -56.6 | 0 | 0 | 0 | 109.9 | D362 | D360-D362 PolarHBondContact O-N 2.9Š| ||
| 361 | V | 31.2 | Very low | 29 | Very low | 136 Ų | 136 | 124 Ų | 124 | 82% | 0.824 | 70% | 0.703 | S | S | * | * | trans | -81.2 | 95.2 | 177.2 | -174.3 | 0 | 0 | 0 | 0 | 110.2 | D359 | D359-V361 PolarHBondContact O-N 2.88Å; D359-V361 VanDerWaalsContact O-N 3.16Å | ||
| 362 | D | 29.6 | Very low | 28.8 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 78% | 0.781 | 71% | 0.708 | S | S | * | * | trans | -71.5 | 125.3 | 168.2 | -107 | -30.4 | 0 | 0 | 0 | 111.1 | D360 H364 | D360-D362 PolarHBondContact O-N 2.9Å; D362-H364 PolarHBondContact O-N 3.22Å | ||
| 363 | D | 25.2 | Very low | 28.3 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | trans | -81.7 | 74.9 | -171.5 | -170.2 | 11.3 | 0 | 0 | 0 | 111.8 | ||||
| 364 | H | 30.9 | Very low | 27.6 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 80% | 0.801 | 76% | 0.756 | S | S | * | * | trans | -107.2 | 83.4 | 172.3 | -83.7 | -35.9 | 0 | 0 | 0 | 113.1 | D362 N366 | D362-H364 PolarHBondContact O-N 3.22Å; H364-N366 PolarHBondContact O-N 3.2Å | ||
| 365 | K | 24 | Very low | 27.1 | Very low | 167 Ų | 167 | 138 Ų | 138 | 73% | 0.726 | 77% | 0.772 | S | S | * | * | trans | -51.4 | 127.8 | 158 | -64.5 | 173 | -178.7 | 171.4 | 0 | 110.9 | ||||
| 366 | N | 28.2 | Very low | 26.5 | Very low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -142.8 | 110.4 | 151.5 | -98.6 | -35.3 | 0 | 0 | 0 | 108.6 | H364 V368 | H364-N366 PolarHBondContact O-N 3.2Å; N366-V368 PolarHBondContact O-N 3.28Å | ||
| 367 | D | 25.4 | Very low | 25.6 | Very low | 151 Ų | 151 | 140 Ų | 140 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -66 | 120.2 | 173.4 | -64.9 | -62.6 | 0 | 0 | 0 | 110.2 | ||||
| 368 | V | 25.9 | Very low | 25.2 | Very low | 135 Ų | 135 | 144 Ų | 144 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -132.7 | 92.7 | 153.7 | -173.9 | 0 | 0 | 0 | 0 | 108 | N366 | N366-V368 PolarHBondContact O-N 3.28Š| ||
| 369 | I | 25.8 | Very low | 24.8 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | trans | -63.5 | 137.1 | 168.7 | -70 | 172 | 0 | 0 | 0 | 108.5 | ||||
| 370 | G | 21.3 | Very low | 24.4 | Very low | 72 Ų | 72 | 142.8 Ų | 142.8 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -68.8 | 173.4 | -172 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 371 | G | 23.2 | Very low | 24 | Very low | 77 Ų | 77 | 142.6 Ų | 142.6 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -177.8 | 68.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I373 | G371-I373 PolarHBondContact O-N 2.95Å; G371-I373 VanDerWaalsContact O-N 3.11Å | ||
| 372 | E | 20.5 | Very low | 23.6 | Very low | 198 Ų | 198 | 140.9 Ų | 140.9 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | trans | -62.2 | 105.3 | 165.1 | -66.9 | 178.5 | 127.3 | 0 | 0 | 109.9 | ||||
| 373 | I | 23.6 | Very low | 23.2 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | -141.8 | 93.3 | 148.3 | -55.7 | -176 | 0 | 0 | 0 | 108.1 | G371 | G371-I373 PolarHBondContact O-N 2.95Å; G371-I373 VanDerWaalsContact O-N 3.11Å | ||
| 374 | D | 21.3 | Very low | 23 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -92.5 | 112 | 153.4 | -176.5 | 9.1 | 0 | 0 | 0 | 108.1 | ||||
| 375 | N | 21.7 | Very low | 22.7 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | -171 | 109.8 | 141.4 | -108.5 | -67 | 0 | 0 | 0 | 113.3 | ||||
| 376 | S | 20.4 | Very low | 22.7 | Very low | 81 Ų | 81 | 138.4 Ų | 138.4 | 57% | 0.566 | 76% | 0.756 | S | S | * | * | trans | 74.2 | 131.4 | 130.9 | 83.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 377 | K | 20 | Very low | 22.3 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | trans | 63.7 | 109.5 | 145.3 | -63 | 170.5 | -177.2 | 175.3 | 0 | 118.9 | ||||
| 378 | N | 22.8 | Very low | 22 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | -174.3 | 120.4 | 97.5 | -90.7 | -15.3 | 0 | 0 | 0 | 112.1 | |||||
| 379 | D | 20.6 | Very low | 21.9 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | 48.1 | 148 | 119.8 | -60.1 | -13 | 0 | 0 | 0 | 124.7 | |||||
| 380 | H | 22 | Very low | 21.6 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | 73.7 | 109 | 156 | -76.3 | -70.8 | 0 | 0 | 0 | 120.4 | ||||
| 381 | E | 20 | Very low | 21.8 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | 43.9 | 128 | 127.9 | -62.9 | 178.2 | 107.6 | 0 | 0 | 118.3 | |||||
| 382 | S | 22.9 | Very low | 21.7 | Very low | 100 Ų | 100 | 146.8 Ų | 146.8 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | -177.8 | 151 | 69.6 | 41.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 383 | N | 21.7 | Very low | 21.9 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 63% | 0.631 | 75% | 0.746 | S | S | * | * | trans | 57.4 | 113.6 | 143.3 | -72.9 | -53.7 | 0 | 0 | 0 | 122.3 | ||||
| 384 | K | 21.3 | Very low | 21.9 | Very low | 163 Ų | 163 | 139 Ų | 139 | 71% | 0.709 | 74% | 0.742 | S | S | * | * | 57.3 | 123.1 | 119.4 | -59.7 | 167.8 | -176.5 | 153.9 | 0 | 119.3 | |||||
| 385 | N | 23.8 | Very low | 21.9 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | -174.2 | 154.8 | 89.7 | -94.5 | -43.3 | 0 | 0 | 0 | 114.7 | |||||
| 386 | L | 23.3 | Very low | 22.4 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | 23.3 | 123 | 154.8 | -79.7 | 53.4 | 0 | 0 | 0 | 119.7 | ||||
| 387 | K | 20.8 | Very low | 22.4 | Very low | 171 Ų | 171 | 138 Ų | 138 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | 81.4 | 113.7 | 60.7 | -84.4 | -165 | 170.8 | -168.6 | 0 | 116.5 | |||||
| 388 | Q | 19.5 | Very low | 22.8 | Very low | 163 Ų | 163 | 136.6 Ų | 136.6 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | 67.2 | 168.6 | 135 | -72.1 | -177.4 | -64.5 | 0 | 0 | 120.8 | ||||
| 389 | I | 23.5 | Very low | 22.6 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | 78.7 | 102.8 | -174.4 | -49.1 | 168.3 | 0 | 0 | 0 | 110.1 | ||||
| 390 | N | 19.2 | Very low | 22.8 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | cis | 64.5 | 96.2 | 26.1 | -144.8 | 89.4 | 0 | 0 | 0 | 113.3 | ||||
| 391 | D | 24.8 | Very low | 22.8 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | 179.7 | 161.9 | 126.2 | -89.8 | -9.4 | 0 | 0 | 0 | 114.9 | |||||
| 392 | N | 21.1 | Very low | 22.8 | Very low | 155 Ų | 155 | 135 Ų | 135 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -68.8 | 149.7 | -177 | -57.6 | -58.6 | 0 | 0 | 0 | 115 | ||||
| 393 | S | 25.8 | Very low | 22.8 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | -177.9 | 132.4 | 127.7 | 35.1 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 394 | G | 23.1 | Very low | 22.7 | Very low | 72 Ų | 72 | 137.5 Ų | 137.5 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | 120.4 | 92.9 | 77.2 | 0 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 395 | D | 22 | Very low | 22.5 | Very low | 158 Ų | 158 | 135 Ų | 135 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | 68.9 | 106.4 | 98.2 | -174.5 | 29.5 | 0 | 0 | 0 | 114.5 | |||||
| 396 | S | 31.3 | Very low | 22.5 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -158.8 | 79.7 | 147.1 | 64.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 397 | G | 21.7 | Very low | 22.4 | Very low | 68 Ų | 68 | 137.2 Ų | 137.2 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | -72.6 | 143.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 398 | V | 27.5 | Very low | 22.3 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 93% | 0.933 | 81% | 0.809 | S | S | * | * | trans | -134.3 | 130.5 | 155.4 | -168.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 399 | S | 19.3 | Very low | 22.6 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | trans | -113.2 | 131.4 | -172.1 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 400 | L | 25.2 | Very low | 22.5 | Very low | 178 Ų | 178 | 134.8 Ų | 134.8 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | trans | -178.1 | 136.8 | 150.2 | -126.4 | 65.7 | 0 | 0 | 0 | 106.9 | ||||
| 401 | G | 21.9 | Very low | 22.9 | Very low | 67 Ų | 67 | 134.1 Ų | 134.1 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | cis | 166.2 | 119.8 | -2.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 402 | Q | 19 | Very low | 22.9 | Very low | 200 Ų | 200 | 133.3 Ų | 133.3 | 94% | 0.935 | 82% | 0.817 | S | S | * | * | trans | -72.5 | 132.6 | 177.9 | -69.6 | 172.1 | -46.1 | 0 | 0 | 110.5 | ||||
| 403 | T | 22.4 | Very low | 22.9 | Very low | 143 Ų | 143 | 133.7 Ų | 133.7 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | -135.2 | 133.3 | 152.2 | 49.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 404 | T | 19.5 | Very low | 22.7 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -80.7 | 151.8 | -179.3 | 45.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 405 | S | 18.5 | Very low | 22.6 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | 47.6 | 109.3 | 142.3 | -51.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 406 | E | 22.5 | Very low | 23 | Very low | 194 Ų | 194 | 133.6 Ų | 133.6 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | trans | -148.4 | 157.1 | 143.5 | -126.9 | 166.3 | -145.4 | 0 | 0 | 114 | ||||
| 407 | N | 21 | Very low | 22.6 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -75.1 | 157.9 | -154.9 | -68.4 | -59.2 | 0 | 0 | 0 | 117.1 | ||||
| 408 | Q | 19.4 | Very low | 23 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | trans | 25.9 | 121.2 | 133.2 | -57.6 | 174.8 | -12.8 | 0 | 0 | 119 | ||||
| 409 | S | 26.1 | Very low | 22.9 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -139.2 | 114.4 | 146.5 | 62.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 410 | D | 21.1 | Very low | 23.2 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | trans | -64 | 149.1 | 174 | -70.5 | -64.2 | 0 | 0 | 0 | 112.4 | ||||
| 411 | S | 27.9 | Very low | 23.1 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -150.2 | 75.2 | 162.2 | -79.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 412 | V | 23.8 | Very low | 23.2 | Very low | 124 Ų | 124 | 150.4 Ų | 150.4 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | trans | 14.4 | 118.7 | 143.6 | -175.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 413 | N | 21.2 | Very low | 23.2 | Very low | 163 Ų | 163 | 145.9 Ų | 145.9 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | 19.1 | 127.9 | 139.6 | -61 | -26.4 | 0 | 0 | 0 | 120.7 | ||||
| 414 | G | 23.4 | Very low | 23.3 | Very low | 80 Ų | 80 | 147.4 Ų | 147.4 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -149.8 | 85 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 415 | N | 20.8 | Very low | 23.4 | Very low | 148 Ų | 148 | 145.7 Ų | 145.7 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -81.2 | 126.7 | -179.7 | -151.6 | 34.4 | 0 | 0 | 0 | 110.5 | ||||
| 416 | V | 29.6 | Very low | 23.6 | Very low | 126 Ų | 126 | 148.8 Ų | 148.8 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | -140.6 | 98.1 | 162.9 | -175.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 417 | D | 23.3 | Very low | 23.9 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | trans | -67 | 132.7 | 163.2 | -86.6 | -61.6 | 0 | 0 | 0 | 110.3 | ||||
| 418 | N | 29.4 | Very low | 23.9 | Very low | 143 Ų | 143 | 148.6 Ų | 148.6 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | trans | -150.1 | 79 | 164 | -127.1 | -16 | 0 | 0 | 0 | 110.8 | ||||
| 419 | R | 25.9 | Very low | 24.1 | Very low | 243 Ų | 243 | 150.4 Ų | 150.4 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -123.4 | 81.1 | 171.5 | -87.3 | -173.8 | 169.4 | -179.3 | -1.5 | 110.7 | R421 | R419-R421 PolarHBondContact O-N 3.15Š| ||
| 420 | V | 25 | Very low | 23.8 | Very low | 128 Ų | 128 | 152.7 Ų | 152.7 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -65.8 | 115.2 | 162.1 | 178.7 | 0 | 0 | 0 | 0 | 107.9 | E422 | V420-E422 HydrophobicContact CG1-CG 4.48Š| ||
| 421 | R | 22.6 | Very low | 23.9 | Very low | 219 Ų | 219 | 154.1 Ų | 154.1 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -113.7 | 87.3 | 179.3 | -173.9 | -178.3 | -173.9 | 167.8 | 2.7 | 109.3 | R419 T423 | R419-R421 PolarHBondContact O-N 3.15Å; R421-T423 PolarHBondContact O-OG1 3.37Å | ||
| 422 | E | 24 | Very low | 23.5 | Very low | 177 Ų | 177 | 154.3 Ų | 154.3 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -64.1 | 136.8 | 168.4 | -72.1 | -170.5 | 149.2 | 0 | 0 | 110.2 | V420 | V420-E422 HydrophobicContact CG1-CG 4.48Š| ||
| 423 | T | 20.5 | Very low | 23.4 | Very low | 105 Ų | 105 | 154.7 Ų | 154.7 | 64% | 0.644 | 80% | 0.799 | S | S | * | * | trans | -120.6 | 109.2 | -171.3 | -63.5 | 0 | 0 | 0 | 0 | 108.1 | R421 V425 | R421-T423 PolarHBondContact O-OG1 3.37Å; T423-V425 HydrophobicContact CG2-CG2 3.96Å | ||
| 424 | I | 24.6 | Very low | 23.5 | Very low | 175 Ų | 175 | 152 Ų | 152 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -104.6 | 146.5 | 170.8 | -63.1 | 179.7 | 0 | 0 | 0 | 108.7 | ||||
| 425 | V | 20 | Very low | 23.3 | Very low | 89 Ų | 89 | 156.4 Ų | 156.4 | 54% | 0.539 | 79% | 0.792 | S | S | . | * | trans | -132.2 | 142.6 | -146.2 | 162.6 | 0 | 0 | 0 | 0 | 111.8 | T423 | T423-V425 HydrophobicContact CG2-CG2 3.96Š| ||
| 426 | H | 24.1 | Very low | 23.3 | Very low | 176 Ų | 176 | 155.6 Ų | 155.6 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | trans | 78.2 | 156.7 | 166.7 | -64.7 | -28.7 | 0 | 0 | 0 | 120.5 | ||||
| 427 | P | 27.8 | Very low | 22.9 | Very low | 120 Ų | 120 | 155.5 Ų | 155.5 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | cis | -120.8 | 155.1 | -13.3 | 27.9 | -9.3 | 0 | 0 | 0 | 114.6 | ||||
| 428 | K | 21.3 | Very low | 22.6 | Very low | 206 Ų | 206 | 156.9 Ų | 156.9 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 136.7 | 169.7 | -67 | 178.6 | 177.2 | 179.6 | 0 | 110.3 | ||
| 429 | K | 22.8 | Very low | 22.4 | Very low | 214 Ų | 214 | 159.2 Ų | 159.2 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 133.7 | 161.1 | -83.4 | -177.9 | 173.1 | 178.6 | 0 | 109.4 | ||
| 430 | Q | 20.1 | Very low | 22.1 | Very low | 168 Ų | 168 | 156.9 Ų | 156.9 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 143.1 | 173.7 | -69 | 172.1 | -15.7 | 0 | 0 | 110.7 | ||
| 431 | L | 24.2 | Very low | 22 | Very low | 178 Ų | 178 | 155.8 Ų | 155.8 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | trans | -141.2 | 99.4 | 150.1 | -150.8 | 78.5 | 0 | 0 | 0 | 108.2 | ||||
| 432 | N | 19.5 | Very low | 21.8 | Very low | 125 Ų | 125 | 150.4 Ų | 150.4 | 67% | 0.668 | 79% | 0.791 | S | S | * | * | trans | -72.8 | 160.9 | 159.1 | -64.1 | -12.7 | 0 | 0 | 0 | 107.3 | ||||
| 433 | T | 21.5 | Very low | 21.9 | Very low | 131 Ų | 131 | 148.6 Ų | 148.6 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | cis | -161.2 | 178.5 | 6.1 | -4 | 0 | 0 | 0 | 0 | 106 | ||||
| 434 | S | 23 | Very low | 22.1 | Very low | 108 Ų | 108 | 149.5 Ų | 149.5 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | cis | -157.2 | 175.7 | 3.6 | 40.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 435 | E | 19.6 | Very low | 21.9 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | -85.3 | 179.7 | 170.4 | -61.6 | 171 | 125.9 | 0 | 0 | 112.8 | ||||
| 436 | T | 20.4 | Very low | 22.2 | Very low | 131 Ų | 131 | 150.5 Ų | 150.5 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 74.3 | 141.7 | 174.4 | 69.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 437 | T | 20.7 | Very low | 22.1 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | cis | -151.2 | 168.9 | 11.2 | -14.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 438 | E | 18.7 | Very low | 22.4 | Very low | 163 Ų | 163 | 151.6 Ų | 151.6 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -61.4 | 150.8 | 173.7 | -51.6 | 179.4 | 125.3 | 0 | 0 | 113.8 | ||||
| 439 | H | 24.1 | Very low | 22.4 | Very low | 192 Ų | 192 | 149.7 Ų | 149.7 | 89% | 0.889 | 80% | 0.796 | S | S | * | * | trans | -141.6 | 128.2 | 154 | -98.4 | -73.9 | 0 | 0 | 0 | 112 | ||||
| 440 | K | 20.1 | Very low | 22.5 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -112.3 | 123.7 | 170.4 | -75.2 | 173.6 | 176.8 | 165 | 0 | 110.1 | ||||
| 441 | S | 22.8 | Very low | 23.2 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -174.1 | 127.4 | 152.4 | 47.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 442 | S | 19.3 | Very low | 23.9 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | cis | 83.6 | 72.4 | 35.6 | 84.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 443 | V | 25.8 | Very low | 24.4 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -150.8 | 105.6 | 152.5 | -174.2 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 444 | V | 23.2 | Very low | 24.6 | Very low | 124 Ų | 124 | 139 Ų | 139 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | 69 | 107.8 | 69.4 | -173.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 445 | N | 21.8 | Very low | 24.6 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | -10.4 | 140.4 | 161.9 | -50.6 | -18.9 | 0 | 0 | 0 | 120.8 | ||||
| 446 | D | 25.9 | Very low | 25.4 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | -161.2 | 118.6 | 124.8 | -91.4 | -32.9 | 0 | 0 | 0 | 107 | |||||
| 447 | I | 22.7 | Very low | 25.5 | Very low | 137 Ų | 137 | 136 Ų | 136 | 70% | 0.703 | 78% | 0.78 | S | S | * | * | 58.5 | 99.4 | 74.7 | -54.9 | -179.3 | 0 | 0 | 0 | 113.3 | |||||
| 448 | L | 32.6 | Very low | 26.1 | Very low | 183 Ų | 183 | 135.1 Ų | 135.1 | 96% | 0.958 | 79% | 0.786 | S | S | * | * | trans | -133.8 | 143.1 | 161.1 | -105.5 | 158.6 | 0 | 0 | 0 | 108.9 | ||||
| 449 | K | 21.4 | Very low | 26.3 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | trans | -122.8 | 144.9 | -160.6 | -103 | -175.9 | 169 | -168.7 | 0 | 112.4 | ||||
| 450 | D | 24.8 | Very low | 26.4 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | 60.5 | 165.6 | 148.4 | -52.9 | -31.1 | 0 | 0 | 0 | 117.1 | ||||
| 451 | P | 34.4 | Very low | 26.7 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | cis | -130.4 | -174.3 | 8.3 | 41.6 | -22.4 | 0 | 0 | 0 | 115.6 | ||||
| 452 | P | 39.2 | Very low | 27 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -119.3 | 171.4 | -165 | 42.3 | -32.7 | 0 | 0 | 0 | 117.1 | ||||
| 453 | S | 29.7 | Very low | 27.5 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -157.7 | 124.5 | 159.1 | 60.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 454 | S | 26.8 | Very low | 27.7 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | 46.2 | 107.9 | 143 | 59.8 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 455 | S | 22.7 | Very low | 28 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | 30.7 | 159.8 | 112 | 66 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 456 | P | 37.1 | Very low | 28.4 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | cis | -136.5 | 173 | -4.4 | 37.1 | -17.2 | 0 | 0 | 0 | 117.2 | ||||
| 457 | S | 22.2 | Very low | 28.6 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 3.7 | 125 | 151.8 | -47.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 458 | A | 32.8 | Very low | 29.1 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 88% | 0.884 | 78% | 0.775 | S | S | * | * | trans | -141.5 | 127.3 | 136.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 459 | T | 23.6 | Very low | 28.8 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | -89.4 | 132 | 174.2 | 44.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 460 | D | 26.4 | Very low | 29.3 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | 173.4 | 138 | 123.4 | -91.5 | -15.8 | 0 | 0 | 0 | 114.7 | |||||
| 461 | F | 25.9 | Very low | 29.5 | Very low | 169 Ų | 169 | 134 Ų | 134 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | 49.1 | 124.5 | 151.3 | -75.1 | -92.7 | 0 | 0 | 0 | 123.2 | ||||
| 462 | H | 27.7 | Very low | 29.2 | Very low | 175 Ų | 175 | 134.3 Ų | 134.3 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | 62.9 | 136.1 | 166.8 | -58.8 | -75.7 | 0 | 0 | 0 | 116.1 | ||||
| 463 | D | 30.8 | Very low | 28.6 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | cis | -146.1 | 157.5 | 25.4 | -165.6 | 8.4 | 0 | 0 | 0 | 112.6 | N465 | D463-N465 PolarHBondContact O-N 3.01Š| ||
| 464 | N | 30.6 | Very low | 28.7 | Very low | 155 Ų | 155 | 133.2 Ų | 133.2 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | -78 | 78.2 | -168.9 | -96.7 | -40.9 | 0 | 0 | 0 | 113.4 | N466 | N464-N466 PolarHBondContact O-N 3.08Š| ||
| 465 | N | 28.3 | Very low | 28.9 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | trans | -78.2 | 60.9 | -176.7 | -143.8 | -15.6 | 0 | 0 | 0 | 113.3 | D463 K467 | D463-N465 PolarHBondContact O-N 3.01Å; N465-K467 PolarHBondContact O-N 3.46Å; N465-K467 WeakPolarHBondContact OD1-CD 3.43Å; N465-K467 WeakPolarHBondContact OD1-CE 3.39Å; N465-K467 WeakPolarHBondContact OD1-CG 3.38Å | ||
| 466 | N | 31.7 | Very low | 29.5 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | -78.8 | 57.2 | 179 | -125.8 | -7.5 | 0 | 0 | 0 | 111.6 | N464 S468 | N464-N466 PolarHBondContact O-N 3.08Å; N466-S468 PolarHBondContact O-N 2.99Å | ||
| 467 | K | 29.2 | Very low | 29.4 | Very low | 176 Ų | 176 | 144 Ų | 144 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | -71.8 | 76.8 | 174.7 | -78.4 | -178.3 | -178.7 | -179.4 | 0 | 110.8 | N465 K469 | N465-K467 PolarHBondContact O-N 3.46Å; N465-K467 WeakPolarHBondContact OD1-CD 3.43Å; N465-K467 WeakPolarHBondContact OD1-CE 3.39Å; N465-K467 WeakPolarHBondContact OD1-CG 3.38Å; K467-K469 PolarHBondContact O-N 3.36Å | ||
| 468 | S | 32.3 | Very low | 30.3 | Very low | 94 Ų | 94 | 146.8 Ų | 146.8 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | trans | -56.4 | 127.9 | 162 | 50.6 | 0 | 0 | 0 | 0 | 109.4 | N466 V470 | N466-S468 PolarHBondContact O-N 2.99Å; S468-V470 PolarHBondContact O-N 2.89Å | ||
| 469 | K | 28.2 | Very low | 30.7 | Very low | 208 Ų | 208 | 147.8 Ų | 147.8 | 90% | 0.904 | 76% | 0.76 | S | S | * | * | trans | -68 | 79.6 | 176 | -78.6 | 177.8 | 171.9 | 175.4 | 0 | 110 | K467 V471 | K467-K469 PolarHBondContact O-N 3.36Å; K469-V471 PolarHBondContact O-N 3.03Å | ||
| 470 | V | 30.1 | Very low | 31.9 | Very low | 112 Ų | 112 | 143 Ų | 143 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | trans | -67 | 115.6 | 162.8 | 178.7 | 0 | 0 | 0 | 0 | 106.8 | S468 I472 | S468-V470 PolarHBondContact O-N 2.89Å; V470-I472 VanDerWaalsContact C-N 3.35Å; V470-I472 PolarHBondContact O-N 3.35Å | ||
| 471 | V | 29.4 | Very low | 33.2 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | trans | -65.8 | 98.3 | 171.4 | 177.1 | 0 | 0 | 0 | 0 | 107.1 | K469 S473 | K469-V471 PolarHBondContact O-N 3.03Å; V471-S473 PolarHBondContact O-N 3.47Å | ||
| 472 | I | 28.3 | Very low | 34.6 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 66% | 0.662 | 70% | 0.695 | S | S | * | * | trans | -70.2 | 87.9 | 170.8 | -56.3 | 175.4 | 0 | 0 | 0 | 106.7 | V470 | V470-I472 VanDerWaalsContact C-N 3.35Å; V470-I472 PolarHBondContact O-N 3.35Å | ||
| 473 | S | 26.5 | Very low | 36.1 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 64% | 0.643 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -50 | 125.1 | 154.5 | 50.7 | 0 | 0 | 0 | 0 | 107 | V471 L475 | V471-S473 PolarHBondContact O-N 3.47Å; S473-L475 PolarHBondContact O-N 2.84Å |
| 474 | P | 32.7 | Very low | 37.8 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 79% | 0.786 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 118.5 | -170.5 | -28.2 | 34.3 | 0 | 0 | 0 | 110.4 | K476 | P474-K476 PolarHBondContact O-N 3.03Š|
| 475 | L | 30.9 | Very low | 39.5 | Very low | 152 Ų | 152 | 122.1 Ų | 122.1 | 80% | 0.796 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 118.2 | 172.6 | -78.8 | 151.2 | 0 | 0 | 0 | 106.6 | S473 R477 | S473-L475 PolarHBondContact O-N 2.84Å; L475-R477 PolarHBondContact O-N 2.79Å |
| 476 | K | 34.8 | Very low | 41.7 | Very low | 203 Ų | 203 | 116.5 Ų | 116.5 | 88% | 0.883 | 59% | 0.587 | S | S | * | * | trans | -56.2 | 104.6 | 176.5 | -78.6 | -176.8 | 174.6 | -178.6 | 0 | 106.8 | P474 Q478 | P474-K476 PolarHBondContact O-N 3.03Å; K476-Q478 PolarHBondContact O-N 3.41Å | ||
| 477 | R | 35.4 | Very low | 43.7 | Very low | 199 Ų | 199 | 111 Ų | 111 | 75% | 0.751 | 56% | 0.555 | S | S | * | * | trans | -49.1 | 115.6 | 174.7 | -71.3 | -179.1 | 170.8 | -163.1 | -9.6 | 106.5 | L475 N479 | L475-R477 PolarHBondContact O-N 2.79Å; R477-N479 PolarHBondContact O-N 2.64Å; R477-N479 VanDerWaalsContact O-N 3.1Å | ||
| 478 | Q | 40.6 | Very low | 45.9 | Very low | 177 Ų | 177 | 103.9 Ų | 103.9 | 83% | 0.827 | 53% | 0.526 | S | S | * | . | trans | -68.5 | 109.2 | 165.3 | -73.5 | -174.1 | -37.1 | 0 | 0 | 104.5 | K476 S480 | K476-Q478 PolarHBondContact O-N 3.41Å; Q478-S480 PolarHBondContact O-N 2.99Å; Q478-S480 VanDerWaalsContact O-N 3.08Å | ||
| 479 | N | 40.8 | Very low | 48.1 | Very low | 129 Ų | 129 | 99.7 Ų | 99.7 | 69% | 0.69 | 50% | 0.496 | S | S | * | . | trans | -52.3 | 121.5 | 174.1 | -68.7 | 3.8 | 0 | 0 | 0 | 107.1 | R477 | R477-N479 PolarHBondContact O-N 2.64Å; R477-N479 VanDerWaalsContact O-N 3.1Å | ||
| 480 | S | 48.5 | Very low | 50.3 | Low | 22 Ų | 22 | 96 Ų | 96 | 15% | 0.154 | 48% | 0.477 | C | S | . | . | trans | -56.4 | 144.2 | 170 | 51.8 | 0 | 0 | 0 | 0 | 108.5 | F321 Q478 Y482 | F321-S480 PolarHBondContact N-OG 2.71Å; F321-S480 VanDerWaalsContact O-CB 3.26Å; F321-S480 WeakPolarHBondContact O-CB 3.49Å; F321-S480 PolarHBondContact O-OG 2.97Å; Q478-S480 PolarHBondContact O-N 2.99Å; Q478-S480 VanDerWaalsContact O-N 3.08Å; S480-Y482 PolarHBondContact O-N 3.46Å; S480-Y482 PolarHBondContact OG-O 2.85Å | ||
| 481 | A | 55.2 | Low | 52.7 | Low | 27 Ų | 27 | 91.4 Ų | 91.4 | 22% | 0.223 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -72.2 | 7.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N507 T508 | A481-N507 CarbonylContact O-C 3.59Å; A481-N507 WeakPolarHBondContact O-CA 3.25Å; A481-N507 WeakPolarHBondContact O-CB 3.46Å; A481-N507 PolarHBondContact O-ND2 3.36Å; A481-N507 PolarHBondContact O-OD1 3.32Å; A481-T508 PolarHBondContact O-N 3.32Å |
| 482 | Y | 55.6 | Low | 54.8 | Low | 124 Ų | 124 | 89.3 Ų | 89.3 | 49% | 0.486 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 141.2 | -174.5 | -60.7 | -80.6 | 0 | 0 | 0 | 111.8 | F321 S480 I505 N507 | F321-Y482 VanDerWaalsContact CB-O 3.27Å; F321-Y482 WeakPolarHBondContact CB-O 3.45Å; F321-Y482 PolarHBondContact N-O 3.47Å; S480-Y482 PolarHBondContact O-N 3.46Å; S480-Y482 PolarHBondContact OG-O 2.85Å; Y482-I505 HydrophobicContact CD1-CG2 3.94Å; Y482-I505 HydrophobicContact CG-CG2 4.28Å; Y482-N507 HydrophobicContact CD1-CB 3.89Å; Y482-N507 HydrophobicContact CE1-CB 3.86Å |
| 483 | R | 57.7 | Low | 57.1 | Low | 76 Ų | 76 | 83.4 Ų | 83.4 | 29% | 0.287 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 133.4 | 179.3 | -164.7 | -174.7 | -179.5 | 119 | -1.4 | 109.1 | V318 E319 D320 V506 T508 | V318-R483 VanDerWaalsContact C-NE 3.34Å; V318-R483 VanDerWaalsContact CG1-CD 3.47Å; V318-R483 HydrophobicContact CG1-CG 3.81Å; V318-R483 VanDerWaalsContact CG1-NE 3.33Å; V318-R483 PolarHBondContact O-NE 3.02Å; V318-R483 PolarHBondContact O-NH2 3.39Å; E319-R483 CarbonylContact O-C 3.53Å; E319-R483 VanDerWaalsContact O-CA 3.3Å; E319-R483 WeakPolarHBondContact O-CA 3.23Å; E319-R483 WeakPolarHBondContact O-CG 3.34Å; D320-R483 VanDerWaalsContact OD1-CD 3.25Å; D320-R483 WeakPolarHBondContact OD1-CD 3.5Å; D320-R483 WeakPolarHBondContact OD1-CG 3.42Å; D320-R483 IonicContact OD1-CZ 2.74Å; D320-R483 VanDerWaalsContact OD1-CZ 3.31Å; D320-R483 IonicContact OD1-NE 3.67Å; D320-R483 IonicContact OD1-NH1 3.53Å; D320-R483 PolarHBondContact OD1-NH1 3.18Å; D320-R483 IonicContact OD2-CZ 3.83Å; D320-R483 IonicContact OD2-NH1 3.56Å; D320-R483 PolarHBondContact OD2-NH1 3.16Å; D320-R483 IonicContact OD2-NH2 2.71Å; R483-V506 PolarHBondContact N-O 2.89Å; R483-V506 WeakPolarHBondContact O-CA 3.46Å; R483-V506 WeakPolarHBondContact O-CB 3.36Å; R483-V506 PolarHBondContact O-N 3.22Å; R483-V506 VanDerWaalsContact O-O 3.05Å; R483-T508 HydrophobicContact CB-CG2 3.34Å; R483-T508 HydrophobicContact CG-CG2 4.26Å |
| 484 | T | 66.3 | Low | 59.6 | Low | 24 Ų | 24 | 84.5 Ų | 84.5 | 15% | 0.147 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 122.4 | -178.4 | -59 | 0 | 0 | 0 | 0 | 109.8 | V318 E319 K503 R504 | V318-T484 CarbonylContact C-O 3.51Å; V318-T484 VanDerWaalsContact CA-O 3.28Å; V318-T484 WeakPolarHBondContact CA-O 3.49Å; E319-T484 PolarHBondContact N-O 3.32Å; E319-T484 PolarHBondContact O-N 3.3Å; T484-K503 HydrophobicContact CG2-CB 3.76Å; T484-K503 HydrophobicContact CG2-CD 4.08Å; T484-K503 HydrophobicContact CG2-CG 4.09Å; T484-R504 CarbonylContact C-O 3.53Å; T484-R504 WeakPolarHBondContact CA-O 3.37Å |
| 485 | R | 66.7 | Low | 61.6 | Low | 90 Ų | 90 | 82 Ų | 82 | 34% | 0.34 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 115 | 170.3 | -177.8 | 162 | 127.7 | 145.8 | 165.5 | 108.6 | E316 V318 K503 R504 V506 | E316-R485 HydrophobicContact CG-CG 3.94Å; E316-R485 VanDerWaalsContact OE1-CD 3.24Å; E316-R485 WeakPolarHBondContact OE1-CD 3.43Å; E316-R485 IonicContact OE1-CZ 3.66Å; E316-R485 VanDerWaalsContact OE1-CZ 3.29Å; E316-R485 IonicContact OE1-NE 3.41Å; E316-R485 PolarHBondContact OE1-NE 2.69Å; E316-R485 IonicContact OE1-NH2 3.8Å; E316-R485 PolarHBondContact OE1-NH2 3.16Å; E316-R485 IonicContact OE2-CZ 3.91Å; E316-R485 IonicContact OE2-NE 2.64Å; E316-R485 PolarHBondContact OE2-NE 3.49Å; E316-R485 IonicContact OE2-NH1 3.41Å; E316-R485 IonicContact OE2-NH2 3.88Å; E316-R485 PolarHBondContact OE2-NH2 3.2Å; V318-R485 HydrophobicContact CG1-CB 4.1Å; R485-K503 CarbonylContact O-C 3.59Å; R485-R504 PolarHBondContact N-O 3.03Å; R485-R504 PolarHBondContact O-N 3.27Å; R485-V506 HydrophobicContact CB-CG2 4.3Å |
| 486 | T | 75.2 | Confident | 63.8 | Low | 6 Ų | 6 | 76.9 Ų | 76.9 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 112.4 | -174.2 | -60.4 | 0 | 0 | 0 | 0 | 108.1 | T317 T501 S502 K503 | T317-T486 PolarHBondContact N-O 2.84Å; T317-T486 PolarHBondContact O-N 2.84Å; T317-T486 WeakPolarHBondContact OG1-CB 3.22Å; T317-T486 PolarHBondContact OG1-O 2.92Å; T486-T501 HydrophobicContact CG2-CG2 3.35Å; T486-S502 CarbonylContact C-O 3.59Å; T486-S502 WeakPolarHBondContact CA-O 3.42Å; T486-K503 HydrophobicContact CG2-CG 4.12Å |
| 487 | R | 73.6 | Confident | 65.9 | Low | 40 Ų | 40 | 71.4 Ų | 71.4 | 15% | 0.151 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 114.3 | 172.8 | -71.1 | -170.2 | -175 | 121.5 | -28.5 | 109.5 | E124 I314 I315 E316 T501 S502 | E124-R487 IonicContact OE1-CZ 2.67Å; E124-R487 IonicContact OE1-NH1 2.67Å; E124-R487 PolarHBondContact OE1-NH1 2.84Å; E124-R487 IonicContact OE1-NH2 2.67Å; E124-R487 PolarHBondContact OE1-NH2 2.91Å; E124-R487 IonicContact OE2-CZ 3.64Å; E124-R487 IonicContact OE2-NH1 3.48Å; E124-R487 PolarHBondContact OE2-NH1 3.1Å; E124-R487 IonicContact OE2-NH2 3.42Å; I314-R487 HydrophobicContact CG2-CB 4.22Å; I314-R487 HydrophobicContact CG2-CG 4.17Å; I315-R487 CarbonylContact O-C 3.47Å; I315-R487 WeakPolarHBondContact O-CA 3.34Å; E316-R487 HydrophobicContact CG-CG 4.26Å; E316-R487 IonicContact OE2-NE 3.98Å; R487-T501 CarbonylContact O-C 3.59Å; R487-T501 WeakPolarHBondContact O-CA 3.5Å; R487-S502 PolarHBondContact N-O 3.43Å; R487-S502 PolarHBondContact O-N 2.98Å |
| 488 | T | 74.2 | Confident | 67.8 | Low | 25 Ų | 25 | 64 Ų | 64 | 15% | 0.153 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 109 | 175.8 | -64.6 | 0 | 0 | 0 | 0 | 109.4 | I315 R490 T499 T500 T501 | I315-T488 PolarHBondContact N-O 2.97Å; I315-T488 PolarHBondContact O-N 3.25Å; T488-R490 HydrophobicContact CG2-CG 4.35Å; T488-T499 HydrophobicContact CG2-CG2 3.31Å; T488-T500 CarbonylContact C-O 3.59Å; T488-T500 WeakPolarHBondContact CA-O 3.47Å; T488-T501 WeakPolarHBondContact OG1-CG2 3.45Å; T488-T501 PolarHBondContact OG1-OG1 2.99Å |
| 489 | R | 78.6 | Confident | 69.5 | Low | 6 Ų | 6 | 58.8 Ų | 58.8 | 2% | 0.023 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 128.8 | 175.2 | -69.7 | -179 | -172.7 | 97.5 | -5.1 | 109.2 | L123 E309 A312 D313 I314 T499 T500 S502 | L123-R489 PolarHBondContact O-NH2 2.8Å; E309-R489 WeakPolarHBondContact O-CD 3.45Å; A312-R489 HydrophobicContact CB-CB 3.75Å; A312-R489 HydrophobicContact CB-CG 4.28Å; D313-R489 WeakPolarHBondContact O-CA 3.42Å; I314-R489 HydrophobicContact CG1-CG 4.23Å; R489-T499 CarbonylContact O-C 3.56Å; R489-T499 WeakPolarHBondContact O-CA 3.48Å; R489-T500 PolarHBondContact N-O 2.86Å; R489-T500 PolarHBondContact O-N 2.9Å; R489-S502 PolarHBondContact NH1-OG 3.03Å |
| 490 | R | 74.4 | Confident | 71.1 | Confident | 132 Ų | 132 | 53.9 Ų | 53.9 | 50% | 0.498 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130 | 174.3 | -61 | -169 | -57.5 | -174.3 | 3.7 | 110.6 | D313 T488 T499 | D313-R490 PolarHBondContact N-O 3.02Å; D313-R490 PolarHBondContact O-N 3.36Å; D313-R490 VanDerWaalsContact O-N 3.11Å; T488-R490 HydrophobicContact CG2-CG 4.35Å; R490-T499 HydrophobicContact CG-CG2 4.03Å |
| 491 | F | 81.3 | Confident | 72.3 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 7% | 0.066 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 160.9 | -179.1 | 52.4 | -85.5 | 0 | 0 | 0 | 110.5 | I305 C308 E309 A312 I493 T497 I498 T500 | I305-F491 HydrophobicContact CG2-CE2 4.44Å; C308-F491 HydrophobicContact CB-CB 4.2Å; C308-F491 HydrophobicContact CB-CD2 3.46Å; C308-F491 VanDerWaalsContact CB-CD2 3.46Å; C308-F491 HydrophobicContact CB-CE2 4.05Å; C308-F491 HydrophobicContact CB-CG 4.05Å; C308-F491 WeakPolarHBondContact O-CB 3.44Å; E309-F491 HydrophobicContact CB-CD1 4.43Å; E309-F491 HydrophobicContact CB-CE1 3.81Å; E309-F491 HydrophobicContact CB-CZ 3.9Å; E309-F491 HydrophobicContact CG-CE1 3.85Å; E309-F491 HydrophobicContact CG-CZ 4.27Å; A312-F491 HydrophobicContact CB-CB 3.92Å; A312-F491 HydrophobicContact CB-CD1 3.64Å; A312-F491 HydrophobicContact CB-CG 4.19Å; F491-I493 HydrophobicContact CD2-CD1 3.95Å; F491-I493 HydrophobicContact CD2-CG1 3.96Å; F491-I493 HydrophobicContact CE2-CD1 3.77Å; F491-I493 HydrophobicContact CE2-CG1 4.25Å; F491-T497 CarbonylContact O-C 3.57Å; F491-T497 WeakPolarHBondContact O-CA 3.24Å; F491-I498 HydrophobicContact CD2-CB 4.06Å; F491-I498 HydrophobicContact CE1-CG2 4.19Å; F491-I498 HydrophobicContact CE2-CB 3.66Å; F491-I498 HydrophobicContact CE2-CD1 4.12Å; F491-I498 HydrophobicContact CE2-CG1 4.43Å; F491-I498 HydrophobicContact CE2-CG2 3.73Å; F491-I498 HydrophobicContact CZ-CB 3.94Å; F491-I498 HydrophobicContact CZ-CG2 3.52Å; F491-I498 PolarHBondContact N-O 2.86Å; F491-I498 PolarHBondContact O-N 2.87Å; F491-T500 HydrophobicContact CE1-CG2 3.96Å; F491-T500 HydrophobicContact CZ-CG2 4.02Å |
| 492 | V | 73.9 | Confident | 73.1 | Confident | 86 Ų | 86 | 55.2 Ų | 55.2 | 52% | 0.521 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130.7 | -177 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | Q496 | V492-Q496 CarbonylContact C-O 3.58Å; V492-Q496 WeakPolarHBondContact CA-O 3.38Å |
| 493 | I | 76.5 | Confident | 73.4 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 125.8 | 175.2 | -58.9 | -170.5 | 0 | 0 | 0 | 108.1 | I305 C308 F491 G495 Q496 I498 | I305-I493 HydrophobicContact CB-CD1 4.05Å; I305-I493 HydrophobicContact CG1-CD1 3.53Å; C308-I493 HydrophobicContact CB-CD1 3.86Å; C308-I493 HydrophobicContact CB-CG1 4Å; F491-I493 HydrophobicContact CD2-CD1 3.95Å; F491-I493 HydrophobicContact CD2-CG1 3.96Å; F491-I493 HydrophobicContact CE2-CD1 3.77Å; F491-I493 HydrophobicContact CE2-CG1 4.25Å; I493-G495 PolarHBondContact O-N 3.04Å; I493-Q496 PolarHBondContact N-O 3.37Å; I493-Q496 WeakPolarHBondContact O-CB 3.23Å; I493-Q496 PolarHBondContact O-N 3.11Å; I493-I498 HydrophobicContact CB-CD1 4.2Å; I493-I498 HydrophobicContact CD1-CD1 3.93Å; I493-I498 HydrophobicContact CG1-CD1 4.2Å |
| 494 | D | 78.6 | Confident | 73.7 | Confident | 115 Ų | 115 | 58.4 Ų | 58.4 | 62% | 0.615 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 30.9 | -178 | -46.7 | -26.9 | 0 | 0 | 0 | 113.8 | K301 Q496 | K301-D494 VanDerWaalsContact CE-OD2 3.31Å; K301-D494 WeakPolarHBondContact CE-OD2 3.46Å; K301-D494 IonicContact NZ-OD2 3.71Å; K301-D494 PolarHBondContact NZ-OD2 3.31Å; D494-Q496 VanDerWaalsContact C-N 3.32Å; D494-Q496 PolarHBondContact O-N 3.28Å |
| 495 | G | 75.9 | Confident | 73.4 | Confident | 68 Ų | 68 | 61.7 Ų | 61.7 | 70% | 0.701 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -9.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | I493 | I493-G495 PolarHBondContact O-N 3.04Š|
| 496 | Q | 75.8 | Confident | 72.8 | Confident | 44 Ų | 44 | 59.9 Ų | 59.9 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 129.9 | 175.2 | -171.1 | -177.9 | 64.9 | 0 | 0 | 110.8 | T344 V492 I493 D494 I498 | T344-Q496 HydrophobicContact CG2-CG 4.36Å; V492-Q496 CarbonylContact C-O 3.58Å; V492-Q496 WeakPolarHBondContact CA-O 3.38Å; I493-Q496 PolarHBondContact N-O 3.37Å; I493-Q496 WeakPolarHBondContact O-CB 3.23Å; I493-Q496 PolarHBondContact O-N 3.11Å; D494-Q496 VanDerWaalsContact C-N 3.32Å; D494-Q496 PolarHBondContact O-N 3.28Å; Q496-I498 PolarHBondContact O-N 3.38Å |
| 497 | T | 78.3 | Confident | 71.5 | Confident | 88 Ų | 88 | 61.4 Ų | 61.4 | 54% | 0.54 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 116.8 | 174.2 | -56.6 | 0 | 0 | 0 | 0 | 110 | F491 | F491-T497 CarbonylContact O-C 3.57Å; F491-T497 WeakPolarHBondContact O-CA 3.24Å |
| 498 | I | 76.9 | Confident | 70.4 | Confident | 44 Ų | 44 | 61.7 Ų | 61.7 | 23% | 0.226 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 139.3 | 172.1 | -60.1 | 178.7 | 0 | 0 | 0 | 108.2 | F491 I493 Q496 T500 | F491-I498 HydrophobicContact CD2-CB 4.06Å; F491-I498 HydrophobicContact CE1-CG2 4.19Å; F491-I498 HydrophobicContact CE2-CB 3.66Å; F491-I498 HydrophobicContact CE2-CD1 4.12Å; F491-I498 HydrophobicContact CE2-CG1 4.43Å; F491-I498 HydrophobicContact CE2-CG2 3.73Å; F491-I498 HydrophobicContact CZ-CB 3.94Å; F491-I498 HydrophobicContact CZ-CG2 3.52Å; F491-I498 PolarHBondContact N-O 2.86Å; F491-I498 PolarHBondContact O-N 2.87Å; I493-I498 HydrophobicContact CB-CD1 4.2Å; I493-I498 HydrophobicContact CD1-CD1 3.93Å; I493-I498 HydrophobicContact CG1-CD1 4.2Å; Q496-I498 PolarHBondContact O-N 3.38Å; I498-T500 HydrophobicContact CG2-CG2 4.37Å |
| 499 | T | 76.1 | Confident | 69.1 | Low | 68 Ų | 68 | 63.7 Ų | 63.7 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 119.1 | 177.7 | -60.5 | 0 | 0 | 0 | 0 | 108.7 | T488 R489 R490 | T488-T499 HydrophobicContact CG2-CG2 3.31Å; R489-T499 CarbonylContact O-C 3.56Å; R489-T499 WeakPolarHBondContact O-CA 3.48Å; R490-T499 HydrophobicContact CG-CG2 4.03Å |
| 500 | T | 74.2 | Confident | 67.9 | Low | 26 Ų | 26 | 70 Ų | 70 | 16% | 0.16 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135 | 172.8 | 61.4 | 0 | 0 | 0 | 0 | 109.7 | E309 T488 R489 F491 I498 | E309-T500 PolarHBondContact OE1-OG1 3.09Å; T488-T500 CarbonylContact C-O 3.59Å; T488-T500 WeakPolarHBondContact CA-O 3.47Å; R489-T500 PolarHBondContact N-O 2.86Å; R489-T500 PolarHBondContact O-N 2.9Å; F491-T500 HydrophobicContact CE1-CG2 3.96Å; F491-T500 HydrophobicContact CZ-CG2 4.02Å; I498-T500 HydrophobicContact CG2-CG2 4.37Å |
| 501 | T | 74.4 | Confident | 66.7 | Low | 37 Ų | 37 | 70.7 Ų | 70.7 | 23% | 0.227 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 121.4 | -175.8 | -65.5 | 0 | 0 | 0 | 0 | 110.3 | T486 R487 T488 | T486-T501 HydrophobicContact CG2-CG2 3.35Å; R487-T501 CarbonylContact O-C 3.59Å; R487-T501 WeakPolarHBondContact O-CA 3.5Å; T488-T501 WeakPolarHBondContact OG1-CG2 3.45Å; T488-T501 PolarHBondContact OG1-OG1 2.99Å |
| 502 | S | 70 | Confident | 65.5 | Low | 40 Ų | 40 | 72.7 Ų | 72.7 | 28% | 0.28 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.8 | 174.9 | -51.6 | 0 | 0 | 0 | 0 | 109.5 | T486 R487 R489 | T486-S502 CarbonylContact C-O 3.59Å; T486-S502 WeakPolarHBondContact CA-O 3.42Å; R487-S502 PolarHBondContact N-O 3.43Å; R487-S502 PolarHBondContact O-N 2.98Å; R489-S502 PolarHBondContact NH1-OG 3.03Å |
| 503 | K | 63.9 | Low | 64.6 | Low | 117 Ų | 117 | 74.1 Ų | 74.1 | 51% | 0.509 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 145.6 | 174.4 | -67 | -169.8 | 173.9 | -170.9 | 0 | 110.2 | P337 T484 R485 T486 | P337-K503 HydrophobicContact CB-CB 4.04Å; P337-K503 HydrophobicContact CB-CD 4.17Å; P337-K503 HydrophobicContact CB-CG 3.95Å; P337-K503 HydrophobicContact CG-CB 4.44Å; T484-K503 HydrophobicContact CG2-CB 3.76Å; T484-K503 HydrophobicContact CG2-CD 4.08Å; T484-K503 HydrophobicContact CG2-CG 4.09Å; R485-K503 CarbonylContact O-C 3.59Å; T486-K503 HydrophobicContact CG2-CG 4.12Å |
| 504 | R | 64.1 | Low | 64 | Low | 149 Ų | 149 | 79.6 Ų | 79.6 | 56% | 0.562 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 129.2 | 170.9 | -174 | 176.5 | -174.9 | 173 | 4.8 | 110.5 | T484 R485 | T484-R504 CarbonylContact C-O 3.53Å; T484-R504 WeakPolarHBondContact CA-O 3.37Å; R485-R504 PolarHBondContact N-O 3.03Å; R485-R504 PolarHBondContact O-N 3.27Å |
| 505 | I | 59.5 | Low | 63.3 | Low | 93 Ų | 93 | 76.9 Ų | 76.9 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 135.3 | 179.7 | -57.3 | 175.1 | 0 | 0 | 0 | 110 | Y482 | Y482-I505 HydrophobicContact CD1-CG2 3.94Å; Y482-I505 HydrophobicContact CG-CG2 4.28Å |
| 506 | V | 53.6 | Low | 62.7 | Low | 52 Ų | 52 | 77.4 Ų | 77.4 | 32% | 0.315 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 121 | -177.1 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | R483 R485 | R483-V506 PolarHBondContact N-O 2.89Å; R483-V506 WeakPolarHBondContact O-CA 3.46Å; R483-V506 WeakPolarHBondContact O-CB 3.36Å; R483-V506 PolarHBondContact O-N 3.22Å; R483-V506 VanDerWaalsContact O-O 3.05Å; R485-V506 HydrophobicContact CB-CG2 4.3Å |
| 507 | N | 48.6 | Very low | 62.6 | Low | 38 Ų | 38 | 79.7 Ų | 79.7 | 20% | 0.203 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 143.2 | 176.5 | -176.8 | -50.8 | 0 | 0 | 0 | 111.5 | A481 Y482 N509 R516 | A481-N507 CarbonylContact O-C 3.59Å; A481-N507 WeakPolarHBondContact O-CA 3.25Å; A481-N507 WeakPolarHBondContact O-CB 3.46Å; A481-N507 PolarHBondContact O-ND2 3.36Å; A481-N507 PolarHBondContact O-OD1 3.32Å; Y482-N507 HydrophobicContact CD1-CB 3.89Å; Y482-N507 HydrophobicContact CE1-CB 3.86Å; N507-N509 PolarHBondContact OD1-N 3.21Å; N507-R516 PolarHBondContact O-NH1 3Å; N507-R516 PolarHBondContact O-NH2 3.3Å |
| 508 | T | 49.4 | Very low | 62.3 | Low | 46 Ų | 46 | 79 Ų | 79 | 28% | 0.282 | 39% | 0.388 | S | S | . | . | trans | -136.9 | 16.6 | -172.2 | 45.1 | 0 | 0 | 0 | 0 | 117 | A481 R483 L510 | A481-T508 PolarHBondContact O-N 3.32Å; R483-T508 HydrophobicContact CB-CG2 3.34Å; R483-T508 HydrophobicContact CG-CG2 4.26Å; T508-L510 PolarHBondContact O-N 3.08Å | ||
| 509 | N | 47.5 | Very low | 62.1 | Low | 67 Ų | 67 | 80.7 Ų | 80.7 | 36% | 0.358 | 39% | 0.394 | S | S | . | . | trans | -51.5 | 134.8 | 167.3 | -76.6 | -35.3 | 0 | 0 | 0 | 110.1 | N507 E511 D512 K513 | N507-N509 PolarHBondContact OD1-N 3.21Å; N509-E511 PolarHBondContact O-N 3.05Å; N509-D512 HydrophobicContact CB-CB 3.89Å; N509-D512 VanDerWaalsContact CB-OD2 3.28Å; N509-D512 WeakPolarHBondContact CB-OD2 3.08Å; N509-D512 PolarHBondContact ND2-OD2 3.47Å; N509-D512 CarbonylContact O-C 3.29Å; N509-D512 PolarHBondContact O-N 3.32Å; N509-K513 PolarHBondContact O-N 3.19Å | ||
| 510 | L | 52.9 | Low | 62.1 | Low | 138 Ų | 138 | 82.2 Ų | 82.2 | 72% | 0.723 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.2 | -35.1 | 178.7 | -92.9 | 105.6 | 0 | 0 | 0 | 112.2 | T508 K513 K514 | T508-L510 PolarHBondContact O-N 3.08Å; L510-K513 PolarHBondContact O-N 3.5Å; L510-K514 PolarHBondContact O-N 2.86Å; L510-K514 VanDerWaalsContact O-N 3.07Å |
| 511 | E | 50.4 | Low | 62.2 | Low | 148 Ų | 148 | 85.7 Ų | 85.7 | 69% | 0.692 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.7 | -40.5 | 173 | -60.5 | -56.9 | 142.3 | 0 | 0 | 111.8 | N509 K514 F515 | N509-E511 PolarHBondContact O-N 3.05Å; E511-K514 PolarHBondContact O-N 3.48Å; E511-F515 WeakPolarHBondContact O-CB 3.4Å; E511-F515 PolarHBondContact O-N 2.93Å |
| 512 | D | 54.5 | Low | 62.4 | Low | 57 Ų | 57 | 88 Ų | 88 | 31% | 0.305 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -75.2 | -25.8 | 176.1 | -67.6 | -45.6 | 0 | 0 | 0 | 113.1 | N509 R516 | N509-D512 HydrophobicContact CB-CB 3.89Å; N509-D512 VanDerWaalsContact CB-OD2 3.28Å; N509-D512 WeakPolarHBondContact CB-OD2 3.08Å; N509-D512 PolarHBondContact ND2-OD2 3.47Å; N509-D512 CarbonylContact O-C 3.29Å; N509-D512 PolarHBondContact O-N 3.32Å; D512-R516 VanDerWaalsContact O-CB 3.26Å; D512-R516 WeakPolarHBondContact O-CB 3.36Å; D512-R516 VanDerWaalsContact O-CG 3.27Å; D512-R516 WeakPolarHBondContact O-CG 3.45Å; D512-R516 PolarHBondContact O-N 3.4Å; D512-R516 PolarHBondContact O-NE 2.8Å |
| 513 | K | 56.1 | Low | 62.7 | Low | 115 Ų | 115 | 94.4 Ų | 94.4 | 50% | 0.5 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.1 | -48.1 | 168.6 | -177.8 | 175.5 | 172.6 | 176.9 | 0 | 109.8 | N509 L510 R516 E517 | N509-K513 PolarHBondContact O-N 3.19Å; L510-K513 PolarHBondContact O-N 3.5Å; K513-R516 PolarHBondContact O-N 3.12Å; K513-E517 WeakPolarHBondContact CE-OE1 3.43Å; K513-E517 IonicContact NZ-OE1 3.43Å; K513-E517 WeakPolarHBondContact O-CB 3.1Å; K513-E517 WeakPolarHBondContact O-CG 3.19Å; K513-E517 PolarHBondContact O-N 2.92Å |
| 514 | K | 64.4 | Low | 63.3 | Low | 121 Ų | 121 | 94.2 Ų | 94.2 | 53% | 0.526 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 175.7 | -171.2 | -177 | 173.9 | -167.2 | 0 | 111.6 | L510 E511 E517 D518 | L510-K514 PolarHBondContact O-N 2.86Å; L510-K514 VanDerWaalsContact O-N 3.07Å; E511-K514 PolarHBondContact O-N 3.48Å; K514-E517 PolarHBondContact O-N 3.37Å; K514-D518 WeakPolarHBondContact O-CB 3.49Å; K514-D518 PolarHBondContact O-N 3.19Å |
| 515 | F | 63.6 | Low | 63.8 | Low | 58 Ų | 58 | 89.4 Ų | 89.4 | 25% | 0.254 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 175.8 | -175.5 | -87.5 | 0 | 0 | 0 | 111.7 | E511 D518 E519 M772 | E511-F515 WeakPolarHBondContact O-CB 3.4Å; E511-F515 PolarHBondContact O-N 2.93Å; F515-D518 PolarHBondContact O-N 3.33Å; F515-E519 HydrophobicContact CE1-CB 4.37Å; F515-E519 WeakPolarHBondContact CE1-OE2 3.43Å; F515-E519 VanDerWaalsContact O-CB 3.22Å; F515-E519 WeakPolarHBondContact O-CB 3.28Å; F515-E519 PolarHBondContact O-N 2.89Å; F515-M772 HydrophobicContact CZ-SD 4.25Å |
| 516 | R | 63.6 | Low | 64.7 | Low | 80 Ų | 80 | 86 Ų | 86 | 30% | 0.302 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.7 | -32.1 | 176.6 | -72.4 | -178.6 | -55.3 | -179.5 | 5.3 | 112.9 | N507 D512 K513 Q520 | N507-R516 PolarHBondContact O-NH1 3Å; N507-R516 PolarHBondContact O-NH2 3.3Å; D512-R516 VanDerWaalsContact O-CB 3.26Å; D512-R516 WeakPolarHBondContact O-CB 3.36Å; D512-R516 VanDerWaalsContact O-CG 3.27Å; D512-R516 WeakPolarHBondContact O-CG 3.45Å; D512-R516 PolarHBondContact O-N 3.4Å; D512-R516 PolarHBondContact O-NE 2.8Å; K513-R516 PolarHBondContact O-N 3.12Å; R516-Q520 WeakPolarHBondContact O-CB 3.42Å; R516-Q520 WeakPolarHBondContact O-CG 3.3Å; R516-Q520 PolarHBondContact O-N 3.27Å |
| 517 | E | 71.8 | Confident | 65.8 | Low | 92 Ų | 92 | 87.7 Ų | 87.7 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.7 | -46.5 | 171.4 | -78.7 | 175.3 | -177.6 | 0 | 0 | 110.5 | K513 K514 Q520 I521 | K513-E517 WeakPolarHBondContact CE-OE1 3.43Å; K513-E517 IonicContact NZ-OE1 3.43Å; K513-E517 WeakPolarHBondContact O-CB 3.1Å; K513-E517 WeakPolarHBondContact O-CG 3.19Å; K513-E517 PolarHBondContact O-N 2.92Å; K514-E517 PolarHBondContact O-N 3.37Å; E517-Q520 PolarHBondContact O-N 2.84Å; E517-I521 WeakPolarHBondContact O-CB 3.3Å; E517-I521 WeakPolarHBondContact O-CD1 3.36Å; E517-I521 WeakPolarHBondContact O-CG1 3.34Å; E517-I521 PolarHBondContact O-N 2.93Å |
| 518 | D | 72.9 | Confident | 67.2 | Low | 74 Ų | 74 | 92.6 Ų | 92.6 | 40% | 0.396 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 175 | -74.3 | -24.2 | 0 | 0 | 0 | 111.9 | K514 F515 I521 K522 | K514-D518 WeakPolarHBondContact O-CB 3.49Å; K514-D518 PolarHBondContact O-N 3.19Å; F515-D518 PolarHBondContact O-N 3.33Å; D518-I521 PolarHBondContact O-N 2.88Å; D518-K522 WeakPolarHBondContact O-CB 3.41Å; D518-K522 VanDerWaalsContact O-CG 3.27Å; D518-K522 WeakPolarHBondContact O-CG 3.33Å; D518-K522 PolarHBondContact O-N 3.26Å |
| 519 | E | 73.8 | Confident | 68.7 | Low | 78 Ų | 78 | 91.9 Ų | 91.9 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 175.4 | -176 | 170.9 | -139.7 | 0 | 0 | 111.9 | F515 K522 R523 | F515-E519 HydrophobicContact CE1-CB 4.37Å; F515-E519 WeakPolarHBondContact CE1-OE2 3.43Å; F515-E519 VanDerWaalsContact O-CB 3.22Å; F515-E519 WeakPolarHBondContact O-CB 3.28Å; F515-E519 PolarHBondContact O-N 2.89Å; E519-K522 PolarHBondContact O-N 3.47Å; E519-R523 WeakPolarHBondContact O-CB 3.39Å; E519-R523 PolarHBondContact O-N 2.88Å |
| 520 | Q | 75.6 | Confident | 70.3 | Confident | 100 Ų | 100 | 91 Ų | 91 | 47% | 0.467 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.9 | -37.5 | 171.6 | -77.7 | 179.8 | 29.6 | 0 | 0 | 112.1 | R516 E517 K524 | R516-Q520 WeakPolarHBondContact O-CB 3.42Å; R516-Q520 WeakPolarHBondContact O-CG 3.3Å; R516-Q520 PolarHBondContact O-N 3.27Å; E517-Q520 PolarHBondContact O-N 2.84Å; Q520-K524 WeakPolarHBondContact O-CB 3.29Å; Q520-K524 WeakPolarHBondContact O-CD 3.14Å; Q520-K524 WeakPolarHBondContact O-CG 3.38Å; Q520-K524 PolarHBondContact O-N 3.33Å |
| 521 | I | 76.8 | Confident | 71.7 | Confident | 99 Ų | 99 | 93.3 Ų | 93.3 | 51% | 0.508 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 176.3 | -73.8 | 162.1 | 0 | 0 | 0 | 109.8 | E517 D518 K524 A525 | E517-I521 WeakPolarHBondContact O-CB 3.3Å; E517-I521 WeakPolarHBondContact O-CD1 3.36Å; E517-I521 WeakPolarHBondContact O-CG1 3.34Å; E517-I521 PolarHBondContact O-N 2.93Å; D518-I521 PolarHBondContact O-N 2.88Å; I521-K524 PolarHBondContact O-N 3.05Å; I521-A525 WeakPolarHBondContact O-CB 3.48Å; I521-A525 PolarHBondContact O-N 3.04Å |
| 522 | K | 78.5 | Confident | 73.3 | Confident | 86 Ų | 86 | 91 Ų | 91 | 37% | 0.374 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.5 | -50.3 | 173.5 | -73 | 168.6 | -177 | 173.6 | 0 | 111.8 | D518 E519 K524 A525 A526 M772 | D518-K522 WeakPolarHBondContact O-CB 3.41Å; D518-K522 VanDerWaalsContact O-CG 3.27Å; D518-K522 WeakPolarHBondContact O-CG 3.33Å; D518-K522 PolarHBondContact O-N 3.26Å; E519-K522 PolarHBondContact O-N 3.47Å; K522-K524 VanDerWaalsContact C-N 3.33Å; K522-K524 PolarHBondContact O-N 3.44Å; K522-A525 CarbonylContact O-C 3.44Å; K522-A525 WeakPolarHBondContact O-CA 3.3Å; K522-A525 VanDerWaalsContact O-CB 3.32Å; K522-A525 WeakPolarHBondContact O-CB 3.32Å; K522-A525 PolarHBondContact O-N 2.95Å; K522-A526 PolarHBondContact O-N 3.15Å; K522-M772 HydrophobicContact CD-SD 4.35Å; K522-M772 PolarHBondContact NZ-SD 3.49Å; K522-M772 VanDerWaalsContact NZ-SD 3.37Å |
| 523 | R | 76.4 | Confident | 74.5 | Confident | 175 Ų | 175 | 89 Ų | 89 | 66% | 0.66 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.3 | -39.7 | 177 | -170.3 | 170.2 | -178.5 | 158.2 | 0.5 | 112 | E519 A525 A526 L527 | E519-R523 WeakPolarHBondContact O-CB 3.39Å; E519-R523 PolarHBondContact O-N 2.88Å; R523-A525 VanDerWaalsContact C-N 3.3Å; R523-A525 PolarHBondContact O-N 3.43Å; R523-A526 PolarHBondContact O-N 3.06Å; R523-L527 HydrophobicContact CG-CD1 4.23Å; R523-L527 WeakPolarHBondContact O-CB 3.31Å; R523-L527 VanDerWaalsContact O-CG 3.25Å; R523-L527 WeakPolarHBondContact O-CG 3.35Å; R523-L527 PolarHBondContact O-N 3.24Å |
| 524 | K | 74.6 | Confident | 75.8 | Confident | 113 Ų | 113 | 85.5 Ų | 85.5 | 49% | 0.491 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.8 | -28.4 | 171.2 | -73.7 | 166.2 | -176.1 | 166.5 | 0 | 112.3 | Q520 I521 K522 R528 | Q520-K524 WeakPolarHBondContact O-CB 3.29Å; Q520-K524 WeakPolarHBondContact O-CD 3.14Å; Q520-K524 WeakPolarHBondContact O-CG 3.38Å; Q520-K524 PolarHBondContact O-N 3.33Å; I521-K524 PolarHBondContact O-N 3.05Å; K522-K524 VanDerWaalsContact C-N 3.33Å; K522-K524 PolarHBondContact O-N 3.44Å; K524-R528 VanDerWaalsContact O-CB 3.32Å; K524-R528 WeakPolarHBondContact O-CB 3.23Å; K524-R528 WeakPolarHBondContact O-CG 3.36Å; K524-R528 PolarHBondContact O-N 2.92Å; K524-R528 VanDerWaalsContact O-N 3.16Å; K524-R528 PolarHBondContact O-NE 3.08Å |
| 525 | A | 76 | Confident | 76.8 | Confident | 47 Ų | 47 | 87.5 Ų | 87.5 | 39% | 0.388 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -74.4 | -46.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I521 K522 R523 R528 A529 | I521-A525 WeakPolarHBondContact O-CB 3.48Å; I521-A525 PolarHBondContact O-N 3.04Å; K522-A525 CarbonylContact O-C 3.44Å; K522-A525 WeakPolarHBondContact O-CA 3.3Å; K522-A525 VanDerWaalsContact O-CB 3.32Å; K522-A525 WeakPolarHBondContact O-CB 3.32Å; K522-A525 PolarHBondContact O-N 2.95Å; R523-A525 VanDerWaalsContact C-N 3.3Å; R523-A525 PolarHBondContact O-N 3.43Å; A525-R528 CarbonylContact O-C 3.6Å; A525-R528 WeakPolarHBondContact O-CA 3.42Å; A525-R528 WeakPolarHBondContact O-CB 3.33Å; A525-R528 PolarHBondContact O-N 2.68Å; A525-R528 VanDerWaalsContact O-N 3.11Å; A525-A529 PolarHBondContact O-N 2.7Å |
| 526 | A | 78.3 | Confident | 77.8 | Confident | 23 Ų | 23 | 89.7 Ų | 89.7 | 19% | 0.19 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -58.5 | -50.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | K522 R523 R528 A529 F530 | K522-A526 PolarHBondContact O-N 3.15Å; R523-A526 PolarHBondContact O-N 3.06Å; A526-R528 PolarHBondContact O-N 2.9Å; A526-A529 WeakPolarHBondContact O-CB 3.32Å; A526-A529 PolarHBondContact O-N 3.49Å; A526-F530 VanDerWaalsContact O-CD2 3.3Å; A526-F530 WeakPolarHBondContact O-CD2 3.39Å; A526-F530 PolarHBondContact O-N 2.72Å |
| 527 | L | 76.1 | Confident | 78.9 | Confident | 86 Ų | 86 | 88.3 Ų | 88.3 | 45% | 0.45 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.3 | -31.5 | 174.4 | -70.9 | 171.8 | 0 | 0 | 0 | 112.9 | R523 R531 | R523-L527 HydrophobicContact CG-CD1 4.23Å; R523-L527 WeakPolarHBondContact O-CB 3.31Å; R523-L527 VanDerWaalsContact O-CG 3.25Å; R523-L527 WeakPolarHBondContact O-CG 3.35Å; R523-L527 PolarHBondContact O-N 3.24Å; L527-R531 WeakPolarHBondContact O-CB 3.44Å; L527-R531 WeakPolarHBondContact O-CD 3.5Å; L527-R531 WeakPolarHBondContact O-CG 3.46Å; L527-R531 PolarHBondContact O-N 3.24Å; L527-R531 VanDerWaalsContact O-N 3.12Å |
| 528 | R | 79.1 | Confident | 79.7 | Confident | 142 Ų | 142 | 86.5 Ų | 86.5 | 54% | 0.536 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -71.5 | -40.8 | 172.3 | -83.5 | 177.9 | -71.7 | -172.2 | 3 | 111.8 | K524 A525 A526 R531 I532 | K524-R528 VanDerWaalsContact O-CB 3.32Å; K524-R528 WeakPolarHBondContact O-CB 3.23Å; K524-R528 WeakPolarHBondContact O-CG 3.36Å; K524-R528 PolarHBondContact O-N 2.92Å; K524-R528 VanDerWaalsContact O-N 3.16Å; K524-R528 PolarHBondContact O-NE 3.08Å; A525-R528 CarbonylContact O-C 3.6Å; A525-R528 WeakPolarHBondContact O-CA 3.42Å; A525-R528 WeakPolarHBondContact O-CB 3.33Å; A525-R528 PolarHBondContact O-N 2.68Å; A525-R528 VanDerWaalsContact O-N 3.11Å; A526-R528 PolarHBondContact O-N 2.9Å; R528-R531 PolarHBondContact O-N 3.49Å; R528-I532 VanDerWaalsContact O-CG1 3.25Å; R528-I532 WeakPolarHBondContact O-CG1 3.37Å; R528-I532 PolarHBondContact O-N 3.33Å |
| 529 | A | 80.8 | Confident | 80.5 | Confident | 31 Ų | 31 | 88.5 Ų | 88.5 | 26% | 0.256 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.7 | -50.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A525 A526 R531 I532 L533 L761 | A525-A529 PolarHBondContact O-N 2.7Å; A526-A529 WeakPolarHBondContact O-CB 3.32Å; A526-A529 PolarHBondContact O-N 3.49Å; A529-R531 VanDerWaalsContact C-N 3.31Å; A529-R531 PolarHBondContact O-N 2.96Å; A529-I532 PolarHBondContact O-N 2.97Å; A529-L533 WeakPolarHBondContact O-CB 3.41Å; A529-L533 PolarHBondContact O-N 3.16Å; A529-L761 HydrophobicContact CB-CD1 4.02Å; A529-L761 HydrophobicContact CB-CD2 3.93Å |
| 530 | F | 80.9 | Confident | 81.3 | Confident | 49 Ų | 49 | 87.4 Ų | 87.4 | 22% | 0.215 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.8 | -37.5 | 175.1 | -75.3 | -63.5 | 0 | 0 | 0 | 113.1 | A526 A534 L761 E762 | A526-F530 VanDerWaalsContact O-CD2 3.3Å; A526-F530 WeakPolarHBondContact O-CD2 3.39Å; A526-F530 PolarHBondContact O-N 2.72Å; F530-A534 WeakPolarHBondContact O-CB 3.17Å; F530-A534 PolarHBondContact O-N 3.46Å; F530-L761 HydrophobicContact CD1-CD1 3.94Å; F530-L761 HydrophobicContact CE1-CB 3.86Å; F530-L761 HydrophobicContact CE1-CD1 4Å; F530-L761 HydrophobicContact CG-CD1 4.41Å; F530-L761 HydrophobicContact CZ-CB 3.8Å; F530-E762 HydrophobicContact CZ-CG 4.21Å |
| 531 | R | 81.7 | Confident | 82.1 | Confident | 186 Ų | 186 | 84.7 Ų | 84.7 | 70% | 0.702 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68.8 | -38 | 175.1 | -78 | 171.5 | 175.7 | -179.7 | -2.1 | 113.2 | L527 R528 A529 K535 | L527-R531 WeakPolarHBondContact O-CB 3.44Å; L527-R531 WeakPolarHBondContact O-CD 3.5Å; L527-R531 WeakPolarHBondContact O-CG 3.46Å; L527-R531 PolarHBondContact O-N 3.24Å; L527-R531 VanDerWaalsContact O-N 3.12Å; R528-R531 PolarHBondContact O-N 3.49Å; A529-R531 VanDerWaalsContact C-N 3.31Å; A529-R531 PolarHBondContact O-N 2.96Å; R531-K535 WeakPolarHBondContact O-CB 3.34Å; R531-K535 PolarHBondContact O-N 3.17Å |
| 532 | I | 83.2 | Confident | 82.8 | Confident | 100 Ų | 100 | 88 Ų | 88 | 51% | 0.513 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.4 | -46.3 | 175.6 | -71.1 | 163 | 0 | 0 | 0 | 109.7 | R528 A529 K535 Q536 | R528-I532 VanDerWaalsContact O-CG1 3.25Å; R528-I532 WeakPolarHBondContact O-CG1 3.37Å; R528-I532 PolarHBondContact O-N 3.33Å; A529-I532 PolarHBondContact O-N 2.97Å; I532-K535 WeakPolarHBondContact O-CB 3.39Å; I532-K535 PolarHBondContact O-N 3.02Å; I532-K535 VanDerWaalsContact O-N 3.14Å; I532-Q536 WeakPolarHBondContact O-CG 3.32Å; I532-Q536 PolarHBondContact O-N 3.42Å |
| 533 | L | 80.9 | Confident | 83.5 | Confident | 15 Ų | 15 | 87.2 Ų | 87.2 | 8% | 0.079 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 178.6 | -170 | 154 | 0 | 0 | 0 | 111.5 | A529 K535 Q536 E537 Q754 R758 L761 | A529-L533 WeakPolarHBondContact O-CB 3.41Å; A529-L533 PolarHBondContact O-N 3.16Å; L533-K535 VanDerWaalsContact C-N 3.28Å; L533-K535 PolarHBondContact O-N 2.92Å; L533-Q536 WeakPolarHBondContact O-CB 3.22Å; L533-Q536 PolarHBondContact O-N 2.95Å; L533-Q536 VanDerWaalsContact O-N 3.12Å; L533-E537 PolarHBondContact O-N 3.07Å; L533-Q754 HydrophobicContact CD2-CB 4.38Å; L533-R758 HydrophobicContact CD1-CG 4.2Å; L533-R758 HydrophobicContact CD2-CG 3.6Å; L533-L761 HydrophobicContact CD1-CD1 3.89Å |
| 534 | A | 84 | Confident | 84.3 | Confident | 40 Ų | 40 | 80 Ų | 80 | 33% | 0.331 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.8 | -33.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F530 A538 | F530-A534 WeakPolarHBondContact O-CB 3.17Å; F530-A534 PolarHBondContact O-N 3.46Å; A534-A538 WeakPolarHBondContact O-CB 3.28Å; A534-A538 PolarHBondContact O-N 2.89Å |
| 535 | K | 85.1 | Confident | 85.2 | Confident | 163 Ų | 163 | 77 Ų | 77 | 71% | 0.709 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -71 | -35 | 174.5 | -171.1 | 178.8 | -179.9 | -177.5 | 0 | 112.1 | R531 I532 L533 H539 | R531-K535 WeakPolarHBondContact O-CB 3.34Å; R531-K535 PolarHBondContact O-N 3.17Å; I532-K535 WeakPolarHBondContact O-CB 3.39Å; I532-K535 PolarHBondContact O-N 3.02Å; I532-K535 VanDerWaalsContact O-N 3.14Å; L533-K535 VanDerWaalsContact C-N 3.28Å; L533-K535 PolarHBondContact O-N 2.92Å; K535-H539 WeakPolarHBondContact O-CB 3.32Å; K535-H539 PolarHBondContact O-N 3.36Å |
| 536 | Q | 84.7 | Confident | 86.1 | Confident | 105 Ų | 105 | 79.6 Ų | 79.6 | 49% | 0.491 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.3 | -46.5 | 173.3 | -73.1 | 169.6 | -39.8 | 0 | 0 | 111 | I532 L533 A538 H539 Q540 | I532-Q536 WeakPolarHBondContact O-CG 3.32Å; I532-Q536 PolarHBondContact O-N 3.42Å; L533-Q536 WeakPolarHBondContact O-CB 3.22Å; L533-Q536 PolarHBondContact O-N 2.95Å; L533-Q536 VanDerWaalsContact O-N 3.12Å; Q536-A538 PolarHBondContact O-N 3.3Å; Q536-H539 PolarHBondContact O-N 3.25Å; Q536-Q540 WeakPolarHBondContact O-CB 3.34Å; Q536-Q540 WeakPolarHBondContact O-CG 3.48Å; Q536-Q540 PolarHBondContact O-N 2.88Å |
| 537 | E | 86.1 | Confident | 86.8 | Confident | 51 Ų | 51 | 85.2 Ų | 85.2 | 24% | 0.238 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -54.5 | -49.3 | 174 | -179.8 | 176.3 | -176.7 | 0 | 0 | 111.7 | L533 H539 T541 Q754 R758 | L533-E537 PolarHBondContact O-N 3.07Å; E537-H539 PolarHBondContact O-N 2.94Å; E537-T541 VanDerWaalsContact O-CB 3.24Å; E537-T541 WeakPolarHBondContact O-CB 3.42Å; E537-T541 PolarHBondContact O-N 2.96Å; E537-T541 PolarHBondContact O-OG1 2.89Å; E537-Q754 HydrophobicContact CB-CG 3.89Å; E537-Q754 HydrophobicContact CG-CG 4.04Å; E537-R758 IonicContact OE2-CZ 3.56Å; E537-R758 IonicContact OE2-NE 2.87Å; E537-R758 IonicContact OE2-NH2 2.66Å; E537-R758 PolarHBondContact OE2-NH2 3.11Å |
| 538 | A | 87.8 | Confident | 87.6 | Confident | 53 Ų | 53 | 81.7 Ų | 81.7 | 44% | 0.438 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | A534 Q536 R542 | A534-A538 WeakPolarHBondContact O-CB 3.28Å; A534-A538 PolarHBondContact O-N 2.89Å; Q536-A538 PolarHBondContact O-N 3.3Å; A538-R542 WeakPolarHBondContact O-CB 3.38Å; A538-R542 PolarHBondContact O-N 3.43Å; A538-R542 VanDerWaalsContact O-N 3.11Å |
| 539 | H | 90.4 | Very high | 88.2 | Confident | 116 Ų | 116 | 79.1 Ų | 79.1 | 54% | 0.537 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.9 | -53.4 | 175.9 | -177.1 | -71 | 0 | 0 | 0 | 111.8 | K535 Q536 E537 T541 R542 E543 | K535-H539 WeakPolarHBondContact O-CB 3.32Å; K535-H539 PolarHBondContact O-N 3.36Å; Q536-H539 PolarHBondContact O-N 3.25Å; E537-H539 PolarHBondContact O-N 2.94Å; H539-T541 VanDerWaalsContact C-N 3.29Å; H539-T541 PolarHBondContact O-N 2.88Å; H539-R542 PolarHBondContact O-N 3.41Å; H539-E543 IonicContact CE1-OE2 3.47Å; H539-E543 PolarHBondContact CE1-OE2 3.27Å; H539-E543 IonicContact ND1-OE2 2.7Å; H539-E543 WeakPolarHBondContact O-CB 3.42Å; H539-E543 PolarHBondContact O-N 3.26Å |
| 540 | Q | 91.4 | Very high | 88.9 | Confident | 56 Ų | 56 | 83 Ų | 83 | 26% | 0.262 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.4 | -42.3 | 179.1 | -71 | 175.2 | -47.1 | 0 | 0 | 111.1 | Q536 R542 L544 I750 E753 | Q536-Q540 WeakPolarHBondContact O-CB 3.34Å; Q536-Q540 WeakPolarHBondContact O-CG 3.48Å; Q536-Q540 PolarHBondContact O-N 2.88Å; Q540-R542 PolarHBondContact O-N 3.5Å; Q540-L544 VanDerWaalsContact O-CB 3.23Å; Q540-L544 WeakPolarHBondContact O-CB 3.34Å; Q540-L544 PolarHBondContact O-N 3.27Å; Q540-I750 HydrophobicContact CB-CD1 3.9Å; Q540-I750 HydrophobicContact CB-CG1 4.34Å; Q540-I750 HydrophobicContact CB-CG2 4.27Å; Q540-E753 PolarHBondContact NE2-OE2 3.33Å |
| 541 | T | 91.3 | Very high | 89.6 | Confident | 43 Ų | 43 | 85.3 Ų | 85.3 | 26% | 0.264 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 177.6 | -59.4 | 0 | 0 | 0 | 0 | 112 | E537 H539 N545 L747 | E537-T541 VanDerWaalsContact O-CB 3.24Å; E537-T541 WeakPolarHBondContact O-CB 3.42Å; E537-T541 PolarHBondContact O-N 2.96Å; E537-T541 PolarHBondContact O-OG1 2.89Å; H539-T541 VanDerWaalsContact C-N 3.29Å; H539-T541 PolarHBondContact O-N 2.88Å; T541-N545 WeakPolarHBondContact O-CB 3.26Å; T541-N545 PolarHBondContact O-N 3.14Å; T541-N545 PolarHBondContact O-ND2 2.75Å; T541-N545 VanDerWaalsContact O-ND2 3.16Å; T541-L747 HydrophobicContact CG2-CD2 3.93Å |
| 542 | R | 91.6 | Very high | 90.1 | Very high | 169 Ų | 169 | 77.2 Ų | 77.2 | 64% | 0.638 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.1 | -51.3 | 177.1 | -174.3 | -175.3 | -59.9 | 168.8 | 0.3 | 111.5 | A538 H539 Q540 L544 N545 E546 | A538-R542 WeakPolarHBondContact O-CB 3.38Å; A538-R542 PolarHBondContact O-N 3.43Å; A538-R542 VanDerWaalsContact O-N 3.11Å; H539-R542 PolarHBondContact O-N 3.41Å; Q540-R542 PolarHBondContact O-N 3.5Å; R542-L544 VanDerWaalsContact C-N 3.27Å; R542-L544 PolarHBondContact O-N 2.87Å; R542-N545 PolarHBondContact O-N 2.93Å; R542-N545 VanDerWaalsContact O-N 3.08Å; R542-E546 WeakPolarHBondContact CD-OE1 3.39Å; R542-E546 VanDerWaalsContact CG-OE1 3.31Å; R542-E546 WeakPolarHBondContact CG-OE1 3.32Å; R542-E546 WeakPolarHBondContact O-CG 3.43Å; R542-E546 PolarHBondContact O-N 3.08Å |
| 543 | E | 93.8 | Very high | 90.5 | Very high | 69 Ų | 69 | 75.6 Ų | 75.6 | 32% | 0.322 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.6 | -38.4 | 179.6 | -175.5 | 178.4 | -177.2 | 0 | 0 | 111.9 | H539 R547 | H539-E543 IonicContact CE1-OE2 3.47Å; H539-E543 PolarHBondContact CE1-OE2 3.27Å; H539-E543 IonicContact ND1-OE2 2.7Å; H539-E543 WeakPolarHBondContact O-CB 3.42Å; H539-E543 PolarHBondContact O-N 3.26Å; E543-R547 WeakPolarHBondContact O-CB 3.25Å; E543-R547 VanDerWaalsContact O-CG 3.23Å; E543-R547 WeakPolarHBondContact O-CG 3.39Å; E543-R547 PolarHBondContact O-N 3.11Å; E543-R547 IonicContact OE1-CZ 3.2Å; E543-R547 IonicContact OE1-NE 3.01Å; E543-R547 IonicContact OE1-NH2 2.6Å; E543-R547 PolarHBondContact OE1-NH2 3.1Å |
| 544 | L | 93 | Very high | 91.3 | Very high | 22 Ų | 22 | 80.6 Ų | 80.6 | 12% | 0.115 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 172.8 | -178.2 | 161.3 | 0 | 0 | 0 | 111.8 | Q540 R542 E546 R547 A548 R743 D746 L747 I750 | Q540-L544 VanDerWaalsContact O-CB 3.23Å; Q540-L544 WeakPolarHBondContact O-CB 3.34Å; Q540-L544 PolarHBondContact O-N 3.27Å; R542-L544 VanDerWaalsContact C-N 3.27Å; R542-L544 PolarHBondContact O-N 2.87Å; L544-E546 VanDerWaalsContact C-N 3.34Å; L544-E546 PolarHBondContact O-N 3Å; L544-R547 PolarHBondContact O-N 3.26Å; L544-A548 WeakPolarHBondContact O-CB 3.43Å; L544-A548 PolarHBondContact O-N 3.36Å; L544-R743 HydrophobicContact CD2-CG 3.83Å; L544-D746 HydrophobicContact CD1-CB 3.52Å; L544-D746 HydrophobicContact CG-CB 4.47Å; L544-L747 HydrophobicContact CD1-CD2 4.18Å; L544-L747 HydrophobicContact CD1-CG 4.21Å; L544-L747 HydrophobicContact CD2-CD1 4.48Å; L544-L747 HydrophobicContact CD2-CD2 3.89Å; L544-L747 HydrophobicContact CD2-CG 3.83Å; L544-I750 HydrophobicContact CB-CD1 4.36Å; L544-I750 HydrophobicContact CD1-CD1 3.54Å |
| 545 | N | 93 | Very high | 91.8 | Very high | 51 Ų | 51 | 79.6 Ų | 79.6 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 178.4 | -77.3 | -35.4 | 0 | 0 | 0 | 111.9 | T541 R542 A548 Q549 R743 | T541-N545 WeakPolarHBondContact O-CB 3.26Å; T541-N545 PolarHBondContact O-N 3.14Å; T541-N545 PolarHBondContact O-ND2 2.75Å; T541-N545 VanDerWaalsContact O-ND2 3.16Å; R542-N545 PolarHBondContact O-N 2.93Å; R542-N545 VanDerWaalsContact O-N 3.08Å; N545-A548 PolarHBondContact O-N 2.94Å; N545-Q549 WeakPolarHBondContact O-CB 3.19Å; N545-Q549 PolarHBondContact O-N 2.78Å; N545-R743 PolarHBondContact OD1-NE 3Å; N545-R743 PolarHBondContact OD1-NH2 3.05Å |
| 546 | E | 94.1 | Very high | 92.1 | Very high | 102 Ų | 102 | 75.4 Ų | 75.4 | 48% | 0.477 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 173.9 | -71.8 | 171 | -166.1 | 0 | 0 | 111.6 | R542 L544 A548 Q549 Q550 | R542-E546 WeakPolarHBondContact CD-OE1 3.39Å; R542-E546 VanDerWaalsContact CG-OE1 3.31Å; R542-E546 WeakPolarHBondContact CG-OE1 3.32Å; R542-E546 WeakPolarHBondContact O-CG 3.43Å; R542-E546 PolarHBondContact O-N 3.08Å; L544-E546 VanDerWaalsContact C-N 3.34Å; L544-E546 PolarHBondContact O-N 3Å; E546-A548 PolarHBondContact O-N 3.19Å; E546-Q549 PolarHBondContact O-N 2.97Å; E546-Q550 VanDerWaalsContact O-CG 3.29Å; E546-Q550 WeakPolarHBondContact O-CG 3.42Å; E546-Q550 PolarHBondContact O-N 2.88Å |
| 547 | R | 94.2 | Very high | 92.6 | Very high | 141 Ų | 141 | 75.7 Ų | 75.7 | 53% | 0.532 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 175.1 | -71.1 | 170.1 | -176.2 | -168.1 | 3.8 | 112.3 | E543 L544 Q550 Q551 | E543-R547 WeakPolarHBondContact O-CB 3.25Å; E543-R547 VanDerWaalsContact O-CG 3.23Å; E543-R547 WeakPolarHBondContact O-CG 3.39Å; E543-R547 PolarHBondContact O-N 3.11Å; E543-R547 IonicContact OE1-CZ 3.2Å; E543-R547 IonicContact OE1-NE 3.01Å; E543-R547 IonicContact OE1-NH2 2.6Å; E543-R547 PolarHBondContact OE1-NH2 3.1Å; L544-R547 PolarHBondContact O-N 3.26Å; R547-Q550 PolarHBondContact O-N 3.5Å; R547-Q551 WeakPolarHBondContact O-CG 3.5Å; R547-Q551 PolarHBondContact O-N 2.93Å; R547-Q551 VanDerWaalsContact O-N 3.09Å |
| 548 | A | 92.6 | Very high | 93 | Very high | 11 Ų | 11 | 78.4 Ų | 78.4 | 9% | 0.091 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L544 N545 E546 Q551 I552 R743 | L544-A548 WeakPolarHBondContact O-CB 3.43Å; L544-A548 PolarHBondContact O-N 3.36Å; N545-A548 PolarHBondContact O-N 2.94Å; E546-A548 PolarHBondContact O-N 3.19Å; A548-Q551 PolarHBondContact O-N 3.09Å; A548-I552 WeakPolarHBondContact O-CG1 3.47Å; A548-I552 PolarHBondContact O-N 3.04Å; A548-R743 HydrophobicContact CB-CB 4.41Å; A548-R743 HydrophobicContact CB-CG 3.88Å |
| 549 | Q | 92.5 | Very high | 93.3 | Very high | 88 Ų | 88 | 78.2 Ų | 78.2 | 41% | 0.411 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 174.7 | -170.4 | 58.4 | 46.8 | 0 | 0 | 111.2 | N545 E546 Q551 I552 D553 | N545-Q549 WeakPolarHBondContact O-CB 3.19Å; N545-Q549 PolarHBondContact O-N 2.78Å; E546-Q549 PolarHBondContact O-N 2.97Å; Q549-Q551 PolarHBondContact O-N 3.48Å; Q549-I552 WeakPolarHBondContact O-CA 3.27Å; Q549-I552 WeakPolarHBondContact O-CB 3.43Å; Q549-I552 PolarHBondContact O-N 3.47Å; Q549-D553 PolarHBondContact NE2-OD1 3.44Å; Q549-D553 PolarHBondContact O-N 2.7Å |
| 550 | Q | 94.6 | Very high | 93.5 | Very high | 112 Ų | 112 | 77 Ų | 77 | 52% | 0.523 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -56.7 | -38 | 174.2 | -70.2 | 167.3 | 21.5 | 0 | 0 | 112.4 | E546 R547 I554 | E546-Q550 VanDerWaalsContact O-CG 3.29Å; E546-Q550 WeakPolarHBondContact O-CG 3.42Å; E546-Q550 PolarHBondContact O-N 2.88Å; R547-Q550 PolarHBondContact O-N 3.5Å; Q550-I554 WeakPolarHBondContact O-CB 3.44Å; Q550-I554 WeakPolarHBondContact O-CD1 3.45Å; Q550-I554 WeakPolarHBondContact O-CG1 3.35Å; Q550-I554 PolarHBondContact O-N 3.32Å |
| 551 | Q | 94.8 | Very high | 93.8 | Very high | 99 Ų | 99 | 77 Ų | 77 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 175.4 | -71.2 | 175.2 | 9.8 | 0 | 0 | 112.6 | R547 A548 Q549 L555 L739 | R547-Q551 WeakPolarHBondContact O-CG 3.5Å; R547-Q551 PolarHBondContact O-N 2.93Å; R547-Q551 VanDerWaalsContact O-N 3.09Å; A548-Q551 PolarHBondContact O-N 3.09Å; Q549-Q551 PolarHBondContact O-N 3.48Å; Q551-L555 WeakPolarHBondContact O-CB 3.27Å; Q551-L555 PolarHBondContact O-N 2.77Å; Q551-L739 HydrophobicContact CB-CD1 4.16Å; Q551-L739 HydrophobicContact CB-CD2 4.49Å |
| 552 | I | 92 | Very high | 94 | Very high | 16 Ų | 16 | 77.4 Ų | 77.4 | 8% | 0.082 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.8 | -49 | 173.1 | -67.9 | 166.9 | 0 | 0 | 0 | 109.9 | A548 Q549 I554 L555 E556 | A548-I552 WeakPolarHBondContact O-CG1 3.47Å; A548-I552 PolarHBondContact O-N 3.04Å; Q549-I552 WeakPolarHBondContact O-CA 3.27Å; Q549-I552 WeakPolarHBondContact O-CB 3.43Å; Q549-I552 PolarHBondContact O-N 3.47Å; I552-I554 VanDerWaalsContact C-N 3.33Å; I552-I554 PolarHBondContact O-N 3.12Å; I552-L555 CarbonylContact O-C 3.55Å; I552-L555 WeakPolarHBondContact O-CA 3.44Å; I552-L555 WeakPolarHBondContact O-CB 3.46Å; I552-L555 PolarHBondContact O-N 3.34Å; I552-E556 HydrophobicContact CG2-CG 4.31Å; I552-E556 WeakPolarHBondContact O-CG 3.19Å; I552-E556 PolarHBondContact O-N 3.4Å |
| 553 | D | 93.5 | Very high | 94.2 | Very high | 66 Ų | 66 | 71 Ų | 71 | 35% | 0.353 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 179.9 | -59.1 | -15.7 | 0 | 0 | 0 | 111.5 | Q549 L555 E556 N557 | Q549-D553 PolarHBondContact NE2-OD1 3.44Å; Q549-D553 PolarHBondContact O-N 2.7Å; D553-L555 VanDerWaalsContact C-N 3.35Å; D553-E556 PolarHBondContact O-N 3.34Å; D553-N557 VanDerWaalsContact O-CB 3.31Å; D553-N557 WeakPolarHBondContact O-CB 3.25Å; D553-N557 PolarHBondContact O-N 3.3Å; D553-N557 PolarHBondContact O-ND2 2.97Å |
| 554 | I | 96.3 | Very high | 94.3 | Very high | 120 Ų | 120 | 70.2 Ų | 70.2 | 62% | 0.615 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.1 | -41.9 | 174.4 | -71.6 | 164.5 | 0 | 0 | 0 | 110.8 | Q550 I552 K558 | Q550-I554 WeakPolarHBondContact O-CB 3.44Å; Q550-I554 WeakPolarHBondContact O-CD1 3.45Å; Q550-I554 WeakPolarHBondContact O-CG1 3.35Å; Q550-I554 PolarHBondContact O-N 3.32Å; I552-I554 VanDerWaalsContact C-N 3.33Å; I552-I554 PolarHBondContact O-N 3.12Å; I554-K558 WeakPolarHBondContact O-CB 3.33Å; I554-K558 PolarHBondContact O-N 2.95Å |
| 555 | L | 94.4 | Very high | 94.5 | Very high | 18 Ų | 18 | 73 Ų | 73 | 9% | 0.094 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 178.7 | -173.6 | 69 | 0 | 0 | 0 | 111.6 | Q551 I552 D553 K558 M559 F732 M735 K736 L739 | Q551-L555 WeakPolarHBondContact O-CB 3.27Å; Q551-L555 PolarHBondContact O-N 2.77Å; I552-L555 CarbonylContact O-C 3.55Å; I552-L555 WeakPolarHBondContact O-CA 3.44Å; I552-L555 WeakPolarHBondContact O-CB 3.46Å; I552-L555 PolarHBondContact O-N 3.34Å; D553-L555 VanDerWaalsContact C-N 3.35Å; L555-K558 PolarHBondContact O-N 3.34Å; L555-M559 WeakPolarHBondContact O-CB 3.33Å; L555-M559 PolarHBondContact O-N 3.07Å; L555-F732 HydrophobicContact CD1-CD1 3.6Å; L555-F732 HydrophobicContact CD1-CE1 3.68Å; L555-F732 HydrophobicContact CG-CD1 3.84Å; L555-F732 HydrophobicContact CG-CE1 4.21Å; L555-F732 WeakPolarHBondContact O-CE1 3.48Å; L555-M735 HydrophobicContact CD1-CB 4.04Å; L555-M735 HydrophobicContact CD1-CE 3.6Å; L555-M735 HydrophobicContact CD1-SD 4.07Å; L555-M735 HydrophobicContact CD2-CB 4.04Å; L555-K736 HydrophobicContact CD2-CB 4.11Å; L555-L739 HydrophobicContact CB-CD1 4.36Å; L555-L739 HydrophobicContact CD2-CD1 3.86Å |
| 556 | E | 92.3 | Very high | 94.7 | Very high | 76 Ų | 76 | 71.8 Ų | 71.8 | 36% | 0.355 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.5 | -39 | 178.6 | -69.8 | -173.9 | 178.7 | 0 | 0 | 112 | I552 D553 K558 M559 N560 K736 | I552-E556 HydrophobicContact CG2-CG 4.31Å; I552-E556 WeakPolarHBondContact O-CG 3.19Å; I552-E556 PolarHBondContact O-N 3.4Å; D553-E556 PolarHBondContact O-N 3.34Å; E556-K558 PolarHBondContact O-N 3.14Å; E556-M559 WeakPolarHBondContact O-CB 3.4Å; E556-M559 PolarHBondContact O-N 3.26Å; E556-N560 WeakPolarHBondContact O-CB 3.35Å; E556-N560 PolarHBondContact O-N 2.69Å; E556-N560 PolarHBondContact O-ND2 3.19Å; E556-K736 IonicContact OE1-NZ 2.67Å |
| 557 | N | 95.3 | Very high | 94.7 | Very high | 111 Ų | 111 | 69.6 Ų | 69.6 | 59% | 0.594 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 171.9 | -80.3 | -57.1 | 0 | 0 | 0 | 112.1 | D553 N560 A561 | D553-N557 VanDerWaalsContact O-CB 3.31Å; D553-N557 WeakPolarHBondContact O-CB 3.25Å; D553-N557 PolarHBondContact O-N 3.3Å; D553-N557 PolarHBondContact O-ND2 2.97Å; N557-N560 PolarHBondContact O-N 3.02Å; N557-A561 WeakPolarHBondContact O-CB 3.15Å; N557-A561 PolarHBondContact O-N 2.88Å |
| 558 | K | 95 | Very high | 94.9 | Very high | 107 Ų | 107 | 69.2 Ų | 69.2 | 47% | 0.465 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 174.2 | -171.9 | -172.5 | 175.2 | -169.5 | 0 | 111.8 | I554 L555 E556 A561 E562 F732 | I554-K558 WeakPolarHBondContact O-CB 3.33Å; I554-K558 PolarHBondContact O-N 2.95Å; L555-K558 PolarHBondContact O-N 3.34Å; E556-K558 PolarHBondContact O-N 3.14Å; K558-A561 PolarHBondContact O-N 3.03Å; K558-E562 VanDerWaalsContact CE-OE1 3.28Å; K558-E562 WeakPolarHBondContact CE-OE1 3.17Å; K558-E562 IonicContact NZ-OE1 3.88Å; K558-E562 PolarHBondContact O-N 3.28Å; K558-F732 HydrophobicContact CB-CE1 4.3Å; K558-F732 HydrophobicContact CB-CZ 4.45Å; K558-F732 HydrophobicContact CD-CE1 4.33Å; K558-F732 HydrophobicContact CD-CZ 4.3Å; K558-F732 HydrophobicContact CG-CE1 4.35Å; K558-F732 HydrophobicContact CG-CZ 4.14Å |
| 559 | M | 94.2 | Very high | 95.1 | Very high | 49 Ų | 49 | 71.9 Ų | 71.9 | 24% | 0.241 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 175.7 | -177.9 | -175.3 | 69.6 | 0 | 0 | 111.7 | L555 E556 A561 E562 F563 F732 | L555-M559 WeakPolarHBondContact O-CB 3.33Å; L555-M559 PolarHBondContact O-N 3.07Å; E556-M559 WeakPolarHBondContact O-CB 3.4Å; E556-M559 PolarHBondContact O-N 3.26Å; M559-A561 VanDerWaalsContact C-N 3.31Å; M559-A561 PolarHBondContact O-N 2.78Å; M559-E562 PolarHBondContact O-N 3.19Å; M559-F563 HydrophobicContact CG-CD2 3.77Å; M559-F563 HydrophobicContact CG-CE2 3.31Å; M559-F563 HydrophobicContact CG-CZ 4.28Å; M559-F563 VanDerWaalsContact O-CD2 3.27Å; M559-F563 WeakPolarHBondContact O-CD2 3.27Å; M559-F563 PolarHBondContact O-N 3.34Å; M559-F563 HydrophobicContact SD-CE2 3.93Å; M559-F732 VanDerWaalsContact CA-CZ 3.42Å; M559-F732 HydrophobicContact CB-CD1 3.67Å; M559-F732 HydrophobicContact CB-CD2 3.98Å; M559-F732 HydrophobicContact CB-CE1 3.67Å; M559-F732 HydrophobicContact CB-CE2 4.01Å; M559-F732 HydrophobicContact CB-CG 3.84Å; M559-F732 HydrophobicContact CB-CZ 3.86Å; M559-F732 HydrophobicContact CG-CB 4.24Å; M559-F732 HydrophobicContact CG-CD1 4.13Å; M559-F732 HydrophobicContact CG-CD2 3.75Å; M559-F732 HydrophobicContact CG-CE1 4.47Å; M559-F732 HydrophobicContact CG-CE2 4.14Å; M559-F732 HydrophobicContact CG-CG 3.77Å; M559-F732 HydrophobicContact CG-CZ 4.49Å; M559-F732 HydrophobicContact SD-CB 4.05Å; M559-F732 HydrophobicContact SD-CG 4.21Å |
| 560 | N | 94 | Very high | 95.3 | Very high | 92 Ų | 92 | 69.8 Ų | 69.8 | 49% | 0.492 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.5 | -36.8 | 178.3 | -70.1 | -27.8 | 0 | 0 | 0 | 112 | E556 N557 S564 | E556-N560 WeakPolarHBondContact O-CB 3.35Å; E556-N560 PolarHBondContact O-N 2.69Å; E556-N560 PolarHBondContact O-ND2 3.19Å; N557-N560 PolarHBondContact O-N 3.02Å; N560-S564 WeakPolarHBondContact O-CB 3.39Å; N560-S564 PolarHBondContact O-N 3.31Å |
| 561 | A | 96.4 | Very high | 95.4 | Very high | 56 Ų | 56 | 68.5 Ų | 68.5 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N557 K558 M559 F563 S564 T565 | N557-A561 WeakPolarHBondContact O-CB 3.15Å; N557-A561 PolarHBondContact O-N 2.88Å; K558-A561 PolarHBondContact O-N 3.03Å; M559-A561 VanDerWaalsContact C-N 3.31Å; M559-A561 PolarHBondContact O-N 2.78Å; A561-F563 PolarHBondContact O-N 3.1Å; A561-S564 WeakPolarHBondContact O-CB 3.12Å; A561-S564 PolarHBondContact O-N 3Å; A561-T565 WeakPolarHBondContact O-CG2 3.26Å; A561-T565 PolarHBondContact O-N 3.14Å |
| 562 | E | 96.4 | Very high | 95.5 | Very high | 51 Ų | 51 | 68.9 Ų | 68.9 | 24% | 0.238 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 175.9 | -77.1 | -174.3 | -142.6 | 0 | 0 | 111.1 | K558 M559 S564 T565 L566 T728 R731 F732 | K558-E562 VanDerWaalsContact CE-OE1 3.28Å; K558-E562 WeakPolarHBondContact CE-OE1 3.17Å; K558-E562 IonicContact NZ-OE1 3.88Å; K558-E562 PolarHBondContact O-N 3.28Å; M559-E562 PolarHBondContact O-N 3.19Å; E562-S564 PolarHBondContact O-N 3.24Å; E562-T565 PolarHBondContact O-N 2.98Å; E562-T565 VanDerWaalsContact O-N 3.16Å; E562-T565 PolarHBondContact O-OG1 3.21Å; E562-L566 PolarHBondContact O-N 3.28Å; E562-T728 HydrophobicContact CB-CG2 4.12Å; E562-R731 IonicContact OE2-NH2 3.63Å; E562-R731 PolarHBondContact OE2-NH2 2.86Å; E562-F732 HydrophobicContact CB-CE2 4.32Å; E562-F732 HydrophobicContact CG-CE2 4.42Å; E562-F732 HydrophobicContact CG-CZ 4.44Å; E562-F732 WeakPolarHBondContact OE1-CZ 3.39Å |
| 563 | F | 96.1 | Very high | 95.8 | Very high | 35 Ų | 35 | 72.8 Ų | 72.8 | 15% | 0.154 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.8 | -36.2 | 175.2 | -70.6 | -51 | 0 | 0 | 0 | 114 | M559 A561 T565 L566 T567 K725 T728 E729 | M559-F563 HydrophobicContact CG-CD2 3.77Å; M559-F563 HydrophobicContact CG-CE2 3.31Å; M559-F563 HydrophobicContact CG-CZ 4.28Å; M559-F563 VanDerWaalsContact O-CD2 3.27Å; M559-F563 WeakPolarHBondContact O-CD2 3.27Å; M559-F563 PolarHBondContact O-N 3.34Å; M559-F563 HydrophobicContact SD-CE2 3.93Å; A561-F563 PolarHBondContact O-N 3.1Å; F563-T565 VanDerWaalsContact C-N 3.35Å; F563-L566 PolarHBondContact O-N 3.01Å; F563-T567 WeakPolarHBondContact O-CB 3.48Å; F563-T567 PolarHBondContact O-N 3.23Å; F563-T567 PolarHBondContact O-OG1 2.89Å; F563-K725 HydrophobicContact CD1-CG 4.13Å; F563-K725 HydrophobicContact CE1-CB 4.42Å; F563-K725 HydrophobicContact CE1-CG 3.72Å; F563-T728 HydrophobicContact CD1-CG2 4.38Å; F563-T728 HydrophobicContact CE1-CG2 3.71Å; F563-T728 HydrophobicContact CZ-CG2 3.78Å; F563-E729 HydrophobicContact CE1-CG 4Å; F563-E729 HydrophobicContact CE2-CG 4.2Å; F563-E729 HydrophobicContact CZ-CB 4.33Å; F563-E729 HydrophobicContact CZ-CG 3.36Å |
| 564 | S | 95.8 | Very high | 95.9 | Very high | 51 Ų | 51 | 71 Ų | 71 | 36% | 0.357 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 172.9 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | N560 A561 E562 K568 | N560-S564 WeakPolarHBondContact O-CB 3.39Å; N560-S564 PolarHBondContact O-N 3.31Å; A561-S564 WeakPolarHBondContact O-CB 3.12Å; A561-S564 PolarHBondContact O-N 3Å; E562-S564 PolarHBondContact O-N 3.24Å; S564-K568 WeakPolarHBondContact O-CD 3.46Å; S564-K568 VanDerWaalsContact O-CG 3.27Å; S564-K568 WeakPolarHBondContact O-CG 3.4Å; S564-K568 PolarHBondContact O-N 2.99Å; S564-K568 VanDerWaalsContact O-N 3.11Å; S564-K568 PolarHBondContact OG-NZ 2.73Å |
| 565 | T | 97.4 | Very high | 95.9 | Very high | 82 Ų | 82 | 70.2 Ų | 70.2 | 50% | 0.503 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 176.4 | 62.6 | 0 | 0 | 0 | 0 | 112.1 | A561 E562 F563 T567 K568 T569 | A561-T565 WeakPolarHBondContact O-CG2 3.26Å; A561-T565 PolarHBondContact O-N 3.14Å; E562-T565 PolarHBondContact O-N 2.98Å; E562-T565 VanDerWaalsContact O-N 3.16Å; E562-T565 PolarHBondContact O-OG1 3.21Å; F563-T565 VanDerWaalsContact C-N 3.35Å; T565-T567 PolarHBondContact O-N 3.27Å; T565-K568 PolarHBondContact O-N 2.93Å; T565-T569 WeakPolarHBondContact O-CG2 3.35Å; T565-T569 PolarHBondContact O-N 2.99Å |
| 566 | L | 96.9 | Very high | 96 | Very high | 24 Ų | 24 | 72.1 Ų | 72.1 | 13% | 0.126 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 179.5 | -173.3 | 66.5 | 0 | 0 | 0 | 111.1 | E562 F563 K568 T569 Y570 F721 D724 K725 | E562-L566 PolarHBondContact O-N 3.28Å; F563-L566 PolarHBondContact O-N 3.01Å; L566-K568 PolarHBondContact O-N 2.98Å; L566-T569 PolarHBondContact O-N 3.4Å; L566-T569 VanDerWaalsContact O-N 3.16Å; L566-T569 PolarHBondContact O-OG1 3.23Å; L566-Y570 PolarHBondContact O-N 2.95Å; L566-F721 HydrophobicContact CB-CE2 4.45Å; L566-F721 HydrophobicContact CD2-CD2 4.08Å; L566-F721 HydrophobicContact CD2-CE2 4.01Å; L566-F721 HydrophobicContact CG-CD2 3.81Å; L566-F721 HydrophobicContact CG-CE2 3.77Å; L566-D724 HydrophobicContact CD1-CB 3.64Å; L566-D724 HydrophobicContact CD2-CB 3.89Å; L566-D724 HydrophobicContact CG-CB 4.4Å; L566-K725 HydrophobicContact CD2-CB 3.85Å |
| 567 | T | 95 | Very high | 96.2 | Very high | 57 Ų | 57 | 68.5 Ų | 68.5 | 35% | 0.35 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.1 | -50.6 | 176.5 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | F563 T565 T569 Y570 D571 | F563-T567 WeakPolarHBondContact O-CB 3.48Å; F563-T567 PolarHBondContact O-N 3.23Å; F563-T567 PolarHBondContact O-OG1 2.89Å; T565-T567 PolarHBondContact O-N 3.27Å; T567-T569 VanDerWaalsContact C-N 3.3Å; T567-T569 PolarHBondContact O-N 3.32Å; T567-Y570 PolarHBondContact O-N 3.5Å; T567-Y570 VanDerWaalsContact O-N 3.13Å; T567-D571 PolarHBondContact O-N 3.49Å |
| 568 | K | 97.2 | Very high | 96.2 | Very high | 133 Ų | 133 | 65.7 Ų | 65.7 | 58% | 0.578 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -57.7 | -39.5 | 176.2 | -71.9 | 163.4 | -179 | 156.9 | 0 | 112.7 | S564 T565 L566 H572 | S564-K568 WeakPolarHBondContact O-CD 3.46Å; S564-K568 VanDerWaalsContact O-CG 3.27Å; S564-K568 WeakPolarHBondContact O-CG 3.4Å; S564-K568 PolarHBondContact O-N 2.99Å; S564-K568 VanDerWaalsContact O-N 3.11Å; S564-K568 PolarHBondContact OG-NZ 2.73Å; T565-K568 PolarHBondContact O-N 2.93Å; L566-K568 PolarHBondContact O-N 2.98Å; K568-H572 WeakPolarHBondContact O-CB 3.28Å; K568-H572 PolarHBondContact O-N 3.45Å |
| 569 | T | 97.2 | Very high | 96.2 | Very high | 66 Ų | 66 | 65.5 Ų | 65.5 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -71.2 | -33.7 | 178.4 | 69 | 0 | 0 | 0 | 0 | 112.7 | T565 L566 T567 K573 | T565-T569 WeakPolarHBondContact O-CG2 3.35Å; T565-T569 PolarHBondContact O-N 2.99Å; L566-T569 PolarHBondContact O-N 3.4Å; L566-T569 VanDerWaalsContact O-N 3.16Å; L566-T569 PolarHBondContact O-OG1 3.23Å; T567-T569 VanDerWaalsContact C-N 3.3Å; T567-T569 PolarHBondContact O-N 3.32Å; T569-K573 VanDerWaalsContact O-CG 3.28Å; T569-K573 WeakPolarHBondContact O-CG 3.38Å; T569-K573 PolarHBondContact O-N 2.97Å; T569-K573 VanDerWaalsContact O-N 3.13Å |
| 570 | Y | 97.1 | Very high | 96.3 | Very high | 44 Ų | 44 | 66.3 Ų | 66.3 | 17% | 0.173 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.7 | -48.8 | 173.7 | 163.9 | -101.2 | 0 | 0 | 0 | 111.3 | L566 T567 H572 K573 M574 L717 R718 F721 | L566-Y570 PolarHBondContact O-N 2.95Å; T567-Y570 PolarHBondContact O-N 3.5Å; T567-Y570 VanDerWaalsContact O-N 3.13Å; Y570-H572 VanDerWaalsContact C-N 3.26Å; Y570-H572 PolarHBondContact O-N 2.72Å; Y570-K573 PolarHBondContact O-N 2.98Å; Y570-K573 VanDerWaalsContact O-N 3.14Å; Y570-M574 HydrophobicContact CD2-CE 4.39Å; Y570-M574 HydrophobicContact CE2-CE 3.52Å; Y570-M574 WeakPolarHBondContact O-CB 3.48Å; Y570-M574 PolarHBondContact O-N 3.03Å; Y570-M574 WeakPolarHBondContact OH-CE 3.47Å; Y570-L717 HydrophobicContact CE2-CB 4.38Å; Y570-R718 HydrophobicContact CE2-CG 4.4Å; Y570-R718 WeakPolarHBondContact OH-CG 3.32Å; Y570-F721 VanDerWaalsContact CB-CD2 3.42Å; Y570-F721 HydrophobicContact CD1-CD1 4.35Å; Y570-F721 HydrophobicContact CD1-CD2 4.33Å; Y570-F721 HydrophobicContact CD1-CE2 4.49Å; Y570-F721 HydrophobicContact CD1-CG 4.24Å; Y570-F721 HydrophobicContact CD2-CB 3.45Å; Y570-F721 VanDerWaalsContact CD2-CB 3.45Å; Y570-F721 HydrophobicContact CD2-CD1 4.32Å; Y570-F721 HydrophobicContact CD2-CD2 4.2Å; Y570-F721 AromaticContact CD2-CG 3.74Å; Y570-F721 HydrophobicContact CD2-CG 3.74Å; Y570-F721 HydrophobicContact CE2-CB 3.96Å; Y570-F721 HydrophobicContact CE2-CD1 4.48Å; Y570-F721 HydrophobicContact CE2-CG 4.3Å; Y570-F721 HydrophobicContact CG-CB 3.92Å; Y570-F721 HydrophobicContact CG-CD1 4.22Å; Y570-F721 AromaticContact CG-CD2 3.74Å; Y570-F721 HydrophobicContact CG-CD2 3.74Å; Y570-F721 HydrophobicContact CG-CE2 4.29Å; Y570-F721 AromaticContact CG-CG 3.69Å; Y570-F721 HydrophobicContact CG-CG 3.69Å |
| 571 | D | 95.3 | Very high | 96.4 | Very high | 85 Ų | 85 | 64.3 Ų | 64.3 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.4 | -39.9 | 177.5 | -67.9 | -24.8 | 0 | 0 | 0 | 111.4 | T567 M574 E575 | T567-D571 PolarHBondContact O-N 3.49Å; D571-M574 WeakPolarHBondContact O-CB 3.5Å; D571-M574 PolarHBondContact O-N 3.42Å; D571-E575 WeakPolarHBondContact O-CB 3.29Å; D571-E575 PolarHBondContact O-N 2.91Å |
| 572 | H | 97.5 | Very high | 96.3 | Very high | 108 Ų | 108 | 68.2 Ų | 68.2 | 50% | 0.5 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 175.8 | -173.7 | 57.2 | 0 | 0 | 0 | 112.9 | K568 Y570 M574 E575 I576 | K568-H572 WeakPolarHBondContact O-CB 3.28Å; K568-H572 PolarHBondContact O-N 3.45Å; Y570-H572 VanDerWaalsContact C-N 3.26Å; Y570-H572 PolarHBondContact O-N 2.72Å; H572-M574 VanDerWaalsContact C-N 3.33Å; H572-E575 PolarHBondContact O-N 3.13Å; H572-I576 WeakPolarHBondContact O-CG1 3.37Å; H572-I576 PolarHBondContact O-N 2.87Å |
| 573 | K | 97.9 | Very high | 96.3 | Very high | 98 Ų | 98 | 70.3 Ų | 70.3 | 43% | 0.426 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.6 | -41 | 174.1 | -71.5 | 170.1 | -175.1 | 174.7 | 0 | 111.4 | T569 Y570 I576 A577 L717 | T569-K573 VanDerWaalsContact O-CG 3.28Å; T569-K573 WeakPolarHBondContact O-CG 3.38Å; T569-K573 PolarHBondContact O-N 2.97Å; T569-K573 VanDerWaalsContact O-N 3.13Å; Y570-K573 PolarHBondContact O-N 2.98Å; Y570-K573 VanDerWaalsContact O-N 3.14Å; K573-I576 PolarHBondContact O-N 3.25Å; K573-A577 PolarHBondContact O-N 3.16Å; K573-L717 HydrophobicContact CB-CD1 4.08Å; K573-L717 HydrophobicContact CB-CD2 3.77Å; K573-L717 HydrophobicContact CD-CD2 3.88Å; K573-L717 HydrophobicContact CG-CD2 4.32Å |
| 574 | M | 95.8 | Very high | 96.3 | Very high | 28 Ų | 28 | 72.6 Ų | 72.6 | 14% | 0.138 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 175.9 | -171.1 | 62.2 | 43 | 0 | 0 | 111.4 | Y570 D571 H572 I576 A577 I578 I714 L717 | Y570-M574 HydrophobicContact CD2-CE 4.39Å; Y570-M574 HydrophobicContact CE2-CE 3.52Å; Y570-M574 WeakPolarHBondContact O-CB 3.48Å; Y570-M574 PolarHBondContact O-N 3.03Å; Y570-M574 WeakPolarHBondContact OH-CE 3.47Å; D571-M574 WeakPolarHBondContact O-CB 3.5Å; D571-M574 PolarHBondContact O-N 3.42Å; H572-M574 VanDerWaalsContact C-N 3.33Å; M574-I576 VanDerWaalsContact C-N 3.34Å; M574-I576 PolarHBondContact O-N 3.41Å; M574-A577 PolarHBondContact O-N 3.29Å; M574-I578 HydrophobicContact CG-CD1 4.08Å; M574-I578 WeakPolarHBondContact O-CD1 3.11Å; M574-I578 VanDerWaalsContact O-CG1 3.27Å; M574-I578 WeakPolarHBondContact O-CG1 3.3Å; M574-I578 PolarHBondContact O-N 3.47Å; M574-I578 HydrophobicContact SD-CD1 4.5Å; M574-I714 HydrophobicContact CE-CD1 4.16Å; M574-I714 HydrophobicContact CE-CG2 4.18Å; M574-I714 HydrophobicContact SD-CD1 3.29Å; M574-I714 WeakPolarHBondContact SD-CD1 3.42Å; M574-I714 HydrophobicContact SD-CG1 4.47Å; M574-I714 HydrophobicContact SD-CG2 3.96Å; M574-L717 HydrophobicContact CE-CB 3.97Å; M574-L717 HydrophobicContact CE-CD1 4.2Å |
| 575 | E | 95.8 | Very high | 96.1 | Very high | 103 Ų | 103 | 71.2 Ų | 71.2 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 176.6 | -157.2 | -150.8 | 167 | 0 | 0 | 112 | D571 H572 R579 | D571-E575 WeakPolarHBondContact O-CB 3.29Å; D571-E575 PolarHBondContact O-N 2.91Å; H572-E575 PolarHBondContact O-N 3.13Å; E575-R579 VanDerWaalsContact O-CB 3.26Å; E575-R579 WeakPolarHBondContact O-CB 3.36Å; E575-R579 PolarHBondContact O-N 2.86Å; E575-R579 IonicContact OE1-CZ 2.78Å; E575-R579 IonicContact OE1-NH2 2.89Å; E575-R579 PolarHBondContact OE1-NH2 3.25Å; E575-R579 IonicContact OE2-NH2 3.26Å; E575-R579 PolarHBondContact OE2-NH2 3.16Å |
| 576 | I | 97.5 | Very high | 95.9 | Very high | 58 Ų | 58 | 71.7 Ų | 71.7 | 30% | 0.297 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62 | -49.6 | 174.6 | -70.3 | 164.7 | 0 | 0 | 0 | 111 | H572 K573 M574 I578 R579 N580 | H572-I576 WeakPolarHBondContact O-CG1 3.37Å; H572-I576 PolarHBondContact O-N 2.87Å; K573-I576 PolarHBondContact O-N 3.25Å; M574-I576 VanDerWaalsContact C-N 3.34Å; M574-I576 PolarHBondContact O-N 3.41Å; I576-I578 PolarHBondContact O-N 2.82Å; I576-R579 PolarHBondContact O-N 3.11Å; I576-R579 VanDerWaalsContact O-N 3.14Å; I576-N580 WeakPolarHBondContact O-CB 3.44Å; I576-N580 PolarHBondContact O-N 3.12Å; I576-N580 PolarHBondContact O-ND2 2.85Å |
| 577 | A | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K573 M574 R579 N580 Y581 E713 I714 L717 | K573-A577 PolarHBondContact O-N 3.16Å; M574-A577 PolarHBondContact O-N 3.29Å; A577-R579 VanDerWaalsContact C-N 3.34Å; A577-R579 PolarHBondContact O-N 3.43Å; A577-N580 PolarHBondContact O-N 2.69Å; A577-Y581 WeakPolarHBondContact O-CB 3.45Å; A577-Y581 PolarHBondContact O-N 2.85Å; A577-E713 HydrophobicContact CB-CG 4.05Å; A577-I714 HydrophobicContact CB-CD1 3.81Å; A577-L717 HydrophobicContact CB-CD1 4.03Å |
| 578 | I | 94.8 | Very high | 95.9 | Very high | 53 Ų | 53 | 76.3 Ų | 76.3 | 27% | 0.272 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 175.3 | -67.6 | 165.2 | 0 | 0 | 0 | 111.6 | M574 I576 K582 Y710 I714 | M574-I578 HydrophobicContact CG-CD1 4.08Å; M574-I578 WeakPolarHBondContact O-CD1 3.11Å; M574-I578 VanDerWaalsContact O-CG1 3.27Å; M574-I578 WeakPolarHBondContact O-CG1 3.3Å; M574-I578 PolarHBondContact O-N 3.47Å; M574-I578 HydrophobicContact SD-CD1 4.5Å; I576-I578 PolarHBondContact O-N 2.82Å; I578-K582 HydrophobicContact CG2-CD 4.24Å; I578-K582 WeakPolarHBondContact O-CG 3.17Å; I578-K582 PolarHBondContact O-N 2.82Å; I578-K582 VanDerWaalsContact O-N 3.1Å; I578-Y710 HydrophobicContact CG1-CE2 4.03Å; I578-I714 HydrophobicContact CG1-CD1 4.29Å |
| 579 | R | 96.1 | Very high | 95.7 | Very high | 103 Ų | 103 | 73.2 Ų | 73.2 | 39% | 0.389 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.3 | -43.6 | 178 | -167 | -175.5 | -60.5 | 117.2 | -5.2 | 111.3 | E575 I576 A577 K582 L583 | E575-R579 VanDerWaalsContact O-CB 3.26Å; E575-R579 WeakPolarHBondContact O-CB 3.36Å; E575-R579 PolarHBondContact O-N 2.86Å; E575-R579 IonicContact OE1-CZ 2.78Å; E575-R579 IonicContact OE1-NH2 2.89Å; E575-R579 PolarHBondContact OE1-NH2 3.25Å; E575-R579 IonicContact OE2-NH2 3.26Å; E575-R579 PolarHBondContact OE2-NH2 3.16Å; I576-R579 PolarHBondContact O-N 3.11Å; I576-R579 VanDerWaalsContact O-N 3.14Å; A577-R579 VanDerWaalsContact C-N 3.34Å; A577-R579 PolarHBondContact O-N 3.43Å; R579-K582 PolarHBondContact O-N 2.95Å; R579-L583 HydrophobicContact CG-CD1 4.3Å; R579-L583 WeakPolarHBondContact O-CG 3.5Å; R579-L583 PolarHBondContact O-N 3.05Å |
| 580 | N | 96.8 | Very high | 95.6 | Very high | 65 Ų | 65 | 75.6 Ų | 75.6 | 35% | 0.348 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.6 | -48.8 | 176.7 | -70.6 | -14.5 | 0 | 0 | 0 | 111.1 | I576 A577 K582 L583 Q584 | I576-N580 WeakPolarHBondContact O-CB 3.44Å; I576-N580 PolarHBondContact O-N 3.12Å; I576-N580 PolarHBondContact O-ND2 2.85Å; A577-N580 PolarHBondContact O-N 2.69Å; N580-K582 PolarHBondContact O-N 2.91Å; N580-L583 PolarHBondContact O-N 3.15Å; N580-Q584 WeakPolarHBondContact O-CG 3.44Å; N580-Q584 PolarHBondContact O-N 2.89Å |
| 581 | Y | 94.8 | Very high | 95.5 | Very high | 50 Ų | 50 | 77.9 Ų | 77.9 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.7 | -45.9 | 175.9 | 171.2 | -111.1 | 0 | 0 | 0 | 112.6 | A577 L583 Q584 M585 I706 H707 Y710 | A577-Y581 WeakPolarHBondContact O-CB 3.45Å; A577-Y581 PolarHBondContact O-N 2.85Å; Y581-L583 PolarHBondContact O-N 2.96Å; Y581-Q584 PolarHBondContact O-N 3.5Å; Y581-M585 HydrophobicContact CD2-CG 4.14Å; Y581-M585 HydrophobicContact CE1-CG 4.3Å; Y581-M585 HydrophobicContact CE2-CG 3.65Å; Y581-M585 HydrophobicContact CE2-SD 4.12Å; Y581-M585 WeakPolarHBondContact O-CB 3.45Å; Y581-M585 WeakPolarHBondContact O-CG 3.38Å; Y581-M585 PolarHBondContact O-N 2.84Å; Y581-I706 HydrophobicContact CD2-CG2 3.88Å; Y581-I706 HydrophobicContact CE2-CG2 4.08Å; Y581-H707 HydrophobicContact CE2-CB 4.18Å; Y581-H707 AromaticContact CE2-ND1 3.96Å; Y581-H707 AromaticContact CZ-ND1 3.76Å; Y581-H707 PolarHBondContact OH-ND1 3.2Å; Y581-Y710 HydrophobicContact CD1-CD1 4.34Å; Y581-Y710 HydrophobicContact CD1-CD2 4.14Å; Y581-Y710 HydrophobicContact CD1-CE1 4.47Å; Y581-Y710 HydrophobicContact CD1-CE2 4.25Å; Y581-Y710 HydrophobicContact CD1-CG 4.16Å; Y581-Y710 HydrophobicContact CD2-CD1 4.29Å; Y581-Y710 HydrophobicContact CD2-CD2 4.24Å; Y581-Y710 AromaticContact CD2-CG 3.77Å; Y581-Y710 HydrophobicContact CD2-CG 3.77Å; Y581-Y710 HydrophobicContact CE2-CD1 4.49Å; Y581-Y710 HydrophobicContact CE2-CG 4.39Å; Y581-Y710 HydrophobicContact CG-CD1 4.22Å; Y581-Y710 AromaticContact CG-CD2 3.68Å; Y581-Y710 HydrophobicContact CG-CD2 3.68Å; Y581-Y710 HydrophobicContact CG-CE2 4.22Å; Y581-Y710 AromaticContact CG-CG 3.65Å; Y581-Y710 HydrophobicContact CG-CG 3.65Å |
| 582 | K | 94.3 | Very high | 95.5 | Very high | 138 Ų | 138 | 75.2 Ų | 75.2 | 60% | 0.6 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.7 | -43.7 | 176.2 | -75.2 | 173 | -179.7 | 176.1 | 0 | 112.4 | I578 R579 N580 M585 E586 | I578-K582 HydrophobicContact CG2-CD 4.24Å; I578-K582 WeakPolarHBondContact O-CG 3.17Å; I578-K582 PolarHBondContact O-N 2.82Å; I578-K582 VanDerWaalsContact O-N 3.1Å; R579-K582 PolarHBondContact O-N 2.95Å; N580-K582 PolarHBondContact O-N 2.91Å; K582-M585 PolarHBondContact O-N 2.64Å; K582-E586 WeakPolarHBondContact O-CB 3.45Å; K582-E586 PolarHBondContact O-N 2.96Å |
| 583 | L | 96.3 | Very high | 95.3 | Very high | 95 Ų | 95 | 73.7 Ų | 73.7 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 178.4 | -71.9 | 169.1 | 0 | 0 | 0 | 112.6 | R579 N580 Y581 R587 | R579-L583 HydrophobicContact CG-CD1 4.3Å; R579-L583 WeakPolarHBondContact O-CG 3.5Å; R579-L583 PolarHBondContact O-N 3.05Å; N580-L583 PolarHBondContact O-N 3.15Å; Y581-L583 PolarHBondContact O-N 2.96Å; L583-R587 WeakPolarHBondContact O-CB 3.45Å; L583-R587 PolarHBondContact O-N 2.8Å |
| 584 | Q | 96 | Very high | 95.1 | Very high | 83 Ų | 83 | 73.6 Ų | 73.6 | 39% | 0.388 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 174.3 | -71.5 | -164.1 | 70 | 0 | 0 | 111.7 | N580 Y581 R587 L588 I706 | N580-Q584 WeakPolarHBondContact O-CG 3.44Å; N580-Q584 PolarHBondContact O-N 2.89Å; Y581-Q584 PolarHBondContact O-N 3.5Å; Q584-R587 PolarHBondContact O-N 3.14Å; Q584-L588 PolarHBondContact O-N 3.4Å; Q584-I706 HydrophobicContact CB-CD1 4.41Å; Q584-I706 HydrophobicContact CB-CG2 3.82Å |
| 585 | M | 92.7 | Very high | 95 | Very high | 22 Ų | 22 | 74.4 Ų | 74.4 | 11% | 0.108 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 175.4 | -76.9 | -56.5 | -43 | 0 | 0 | 112.3 | Y581 K582 R587 L588 D589 R703 I706 | Y581-M585 HydrophobicContact CD2-CG 4.14Å; Y581-M585 HydrophobicContact CE1-CG 4.3Å; Y581-M585 HydrophobicContact CE2-CG 3.65Å; Y581-M585 HydrophobicContact CE2-SD 4.12Å; Y581-M585 WeakPolarHBondContact O-CB 3.45Å; Y581-M585 WeakPolarHBondContact O-CG 3.38Å; Y581-M585 PolarHBondContact O-N 2.84Å; K582-M585 PolarHBondContact O-N 2.64Å; M585-R587 VanDerWaalsContact C-N 3.28Å; M585-R587 PolarHBondContact O-N 3.26Å; M585-L588 PolarHBondContact O-N 2.78Å; M585-D589 WeakPolarHBondContact O-CB 3.41Å; M585-D589 PolarHBondContact O-N 2.97Å; M585-R703 HydrophobicContact CE-CG 3.89Å; M585-R703 HydrophobicContact SD-CG 4.04Å; M585-I706 HydrophobicContact SD-CG2 4.36Å |
| 586 | E | 93.9 | Very high | 94.9 | Very high | 93 Ų | 93 | 70.1 Ų | 70.1 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.9 | -36.2 | 177.5 | -168.7 | -168.4 | 163.7 | 0 | 0 | 112.1 | K582 K590 | K582-E586 WeakPolarHBondContact O-CB 3.45Å; K582-E586 PolarHBondContact O-N 2.96Å; E586-K590 HydrophobicContact CG-CD 4.49Å; E586-K590 VanDerWaalsContact O-CG 3.29Å; E586-K590 WeakPolarHBondContact O-CG 3.35Å; E586-K590 PolarHBondContact O-N 2.96Å; E586-K590 VanDerWaalsContact O-N 3.11Å; E586-K590 WeakPolarHBondContact OE1-CE 3.46Å; E586-K590 IonicContact OE1-NZ 3.99Å; E586-K590 PolarHBondContact OE1-NZ 3.25Å |
| 587 | R | 95.8 | Very high | 94.7 | Very high | 169 Ų | 169 | 72.5 Ų | 72.5 | 64% | 0.638 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.7 | -48.8 | 174 | -174.8 | -176.3 | -62.7 | -177.8 | 0.6 | 111.2 | L583 Q584 M585 D589 K590 E591 | L583-R587 WeakPolarHBondContact O-CB 3.45Å; L583-R587 PolarHBondContact O-N 2.8Å; Q584-R587 PolarHBondContact O-N 3.14Å; M585-R587 VanDerWaalsContact C-N 3.28Å; M585-R587 PolarHBondContact O-N 3.26Å; R587-D589 VanDerWaalsContact C-N 3.34Å; R587-D589 PolarHBondContact O-N 3.26Å; R587-K590 PolarHBondContact O-N 2.8Å; R587-E591 WeakPolarHBondContact CG-OE1 3.3Å; R587-E591 WeakPolarHBondContact O-CG 3.17Å; R587-E591 PolarHBondContact O-N 2.83Å |
| 588 | L | 95.4 | Very high | 94.6 | Very high | 9 Ų | 9 | 78.7 Ų | 78.7 | 5% | 0.047 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 179.6 | -177.6 | 67.5 | 0 | 0 | 0 | 111.9 | Q584 M585 K590 E591 F592 Y699 R702 R703 I706 | Q584-L588 PolarHBondContact O-N 3.4Å; M585-L588 PolarHBondContact O-N 2.78Å; L588-K590 VanDerWaalsContact C-N 3.34Å; L588-K590 PolarHBondContact O-N 2.9Å; L588-E591 PolarHBondContact O-N 3.39Å; L588-F592 WeakPolarHBondContact O-CB 3.42Å; L588-F592 PolarHBondContact O-N 3.42Å; L588-Y699 HydrophobicContact CD1-CD2 4.21Å; L588-Y699 HydrophobicContact CD2-CD2 3.95Å; L588-Y699 HydrophobicContact CD2-CE2 3.9Å; L588-Y699 HydrophobicContact CG-CD2 3.7Å; L588-Y699 HydrophobicContact CG-CE2 3.75Å; L588-R702 HydrophobicContact CD1-CB 3.79Å; L588-R702 HydrophobicContact CD1-CG 4.41Å; L588-R702 HydrophobicContact CD2-CB 4Å; L588-R703 HydrophobicContact CD2-CB 3.78Å; L588-I706 HydrophobicContact CB-CD1 4.47Å; L588-I706 HydrophobicContact CD2-CD1 4.1Å |
| 589 | D | 93.3 | Very high | 94.5 | Very high | 67 Ų | 67 | 76.3 Ų | 76.3 | 36% | 0.358 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 176.2 | -72.1 | -15.3 | 0 | 0 | 0 | 111.8 | M585 R587 E593 Y699 | M585-D589 WeakPolarHBondContact O-CB 3.41Å; M585-D589 PolarHBondContact O-N 2.97Å; R587-D589 VanDerWaalsContact C-N 3.34Å; R587-D589 PolarHBondContact O-N 3.26Å; D589-E593 WeakPolarHBondContact O-CB 3.35Å; D589-E593 PolarHBondContact O-N 2.96Å; D589-Y699 VanDerWaalsContact OD1-CE2 3.26Å; D589-Y699 WeakPolarHBondContact OD1-CE2 3.35Å; D589-Y699 VanDerWaalsContact OD1-CZ 3.32Å; D589-Y699 PolarHBondContact OD1-OH 2.66Å |
| 590 | K | 95.1 | Very high | 94.2 | Very high | 117 Ų | 117 | 77.4 Ų | 77.4 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 174.2 | -74.9 | 170.6 | -175.1 | 169.7 | 0 | 112.3 | E586 R587 L588 F592 E593 V594 | E586-K590 HydrophobicContact CG-CD 4.49Å; E586-K590 VanDerWaalsContact O-CG 3.29Å; E586-K590 WeakPolarHBondContact O-CG 3.35Å; E586-K590 PolarHBondContact O-N 2.96Å; E586-K590 VanDerWaalsContact O-N 3.11Å; E586-K590 WeakPolarHBondContact OE1-CE 3.46Å; E586-K590 IonicContact OE1-NZ 3.99Å; E586-K590 PolarHBondContact OE1-NZ 3.25Å; R587-K590 PolarHBondContact O-N 2.8Å; L588-K590 VanDerWaalsContact C-N 3.34Å; L588-K590 PolarHBondContact O-N 2.9Å; K590-F592 VanDerWaalsContact C-N 3.33Å; K590-F592 PolarHBondContact O-N 3.08Å; K590-E593 PolarHBondContact O-N 2.9Å; K590-V594 WeakPolarHBondContact O-CB 3.47Å; K590-V594 VanDerWaalsContact O-CG2 3.26Å; K590-V594 WeakPolarHBondContact O-CG2 3.13Å; K590-V594 PolarHBondContact O-N 3.43Å |
| 591 | E | 94.9 | Very high | 94 | Very high | 91 Ų | 91 | 77.6 Ų | 77.6 | 43% | 0.425 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.1 | -47.5 | 175.5 | -75 | 174.5 | -156.7 | 0 | 0 | 111.1 | R587 L588 V594 E595 R702 | R587-E591 WeakPolarHBondContact CG-OE1 3.3Å; R587-E591 WeakPolarHBondContact O-CG 3.17Å; R587-E591 PolarHBondContact O-N 2.83Å; L588-E591 PolarHBondContact O-N 3.39Å; E591-V594 PolarHBondContact O-N 3.39Å; E591-E595 PolarHBondContact O-N 2.86Å; E591-R702 IonicContact OE2-NH1 3.7Å; E591-R702 PolarHBondContact OE2-NH1 2.85Å |
| 592 | F | 94.4 | Very high | 93.8 | Very high | 30 Ų | 30 | 77.8 Ų | 77.8 | 13% | 0.132 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 178.4 | 174.1 | -98.2 | 0 | 0 | 0 | 113 | L588 K590 V594 E595 M596 L695 H696 Y699 | L588-F592 WeakPolarHBondContact O-CB 3.42Å; L588-F592 PolarHBondContact O-N 3.42Å; K590-F592 VanDerWaalsContact C-N 3.33Å; K590-F592 PolarHBondContact O-N 3.08Å; F592-V594 VanDerWaalsContact C-N 3.32Å; F592-V594 PolarHBondContact O-N 2.9Å; F592-E595 PolarHBondContact O-N 2.92Å; F592-M596 HydrophobicContact CD1-CG 4.23Å; F592-M596 HydrophobicContact CD2-CG 4.37Å; F592-M596 HydrophobicContact CE1-CG 3.79Å; F592-M596 HydrophobicContact CE2-CG 3.95Å; F592-M596 HydrophobicContact CE2-SD 4.33Å; F592-M596 HydrophobicContact CZ-CG 3.63Å; F592-M596 HydrophobicContact CZ-SD 4.05Å; F592-M596 VanDerWaalsContact O-CB 3.31Å; F592-M596 WeakPolarHBondContact O-CB 3.22Å; F592-M596 VanDerWaalsContact O-CG 3.3Å; F592-M596 WeakPolarHBondContact O-CG 3.2Å; F592-M596 PolarHBondContact O-N 3.26Å; F592-L695 HydrophobicContact CD2-CD1 4.28Å; F592-L695 HydrophobicContact CD2-CD2 4.08Å; F592-L695 HydrophobicContact CD2-CG 3.8Å; F592-L695 HydrophobicContact CE2-CD2 4.08Å; F592-L695 HydrophobicContact CE2-CG 3.85Å; F592-H696 AromaticContact CE2-ND1 3.93Å; F592-H696 AromaticContact CZ-CD2 3.97Å; F592-H696 AromaticContact CZ-CE1 3.53Å; F592-H696 AromaticContact CZ-ND1 3.93Å; F592-H696 AromaticContact CZ-NE2 3.54Å; F592-Y699 HydrophobicContact CB-CD2 3.57Å; F592-Y699 HydrophobicContact CB-CE2 4.06Å; F592-Y699 HydrophobicContact CB-CG 4.28Å; F592-Y699 AromaticContact CD2-CD2 3.93Å; F592-Y699 HydrophobicContact CD2-CD2 3.93Å; F592-Y699 AromaticContact CD2-CG 3.75Å; F592-Y699 HydrophobicContact CD2-CG 3.75Å; F592-Y699 HydrophobicContact CE2-CG 4.28Å; F592-Y699 AromaticContact CG-CD2 3.75Å; F592-Y699 HydrophobicContact CG-CD2 3.75Å; F592-Y699 HydrophobicContact CG-CE2 4.27Å; F592-Y699 HydrophobicContact CG-CG 4.02Å |
| 593 | E | 93.2 | Very high | 93.6 | Very high | 76 Ų | 76 | 72.2 Ų | 72.2 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.6 | -33.1 | 178.5 | 177.7 | 59.5 | -162.8 | 0 | 0 | 112.2 | D589 K590 K597 | D589-E593 WeakPolarHBondContact O-CB 3.35Å; D589-E593 PolarHBondContact O-N 2.96Å; K590-E593 PolarHBondContact O-N 2.9Å; E593-K597 HydrophobicContact CG-CD 4.44Å; E593-K597 WeakPolarHBondContact O-CB 3.43Å; E593-K597 WeakPolarHBondContact O-CG 3.32Å; E593-K597 PolarHBondContact O-N 3.43Å; E593-K597 WeakPolarHBondContact OE1-CE 3.35Å; E593-K597 IonicContact OE1-NZ 3.18Å; E593-K597 PolarHBondContact OE1-NZ 3.06Å |
| 594 | V | 95 | Very high | 93.2 | Very high | 96 Ų | 96 | 71.2 Ų | 71.2 | 58% | 0.582 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -67.2 | -47.2 | 173.5 | 167.7 | 0 | 0 | 0 | 0 | 111.2 | K590 E591 F592 K597 R598 | K590-V594 WeakPolarHBondContact O-CB 3.47Å; K590-V594 VanDerWaalsContact O-CG2 3.26Å; K590-V594 WeakPolarHBondContact O-CG2 3.13Å; K590-V594 PolarHBondContact O-N 3.43Å; E591-V594 PolarHBondContact O-N 3.39Å; F592-V594 VanDerWaalsContact C-N 3.32Å; F592-V594 PolarHBondContact O-N 2.9Å; V594-K597 WeakPolarHBondContact O-CB 3.28Å; V594-K597 PolarHBondContact O-N 3.36Å; V594-R598 WeakPolarHBondContact O-CB 3.46Å; V594-R598 PolarHBondContact O-N 3.09Å |
| 595 | E | 94 | Very high | 93 | Very high | 44 Ų | 44 | 73.8 Ų | 73.8 | 21% | 0.206 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.4 | -35.8 | 179.1 | -171.1 | 58.1 | -149.2 | 0 | 0 | 111.7 | E591 F592 K597 R598 I599 R691 L695 | E591-E595 PolarHBondContact O-N 2.86Å; F592-E595 PolarHBondContact O-N 2.92Å; E595-K597 VanDerWaalsContact C-N 3.34Å; E595-K597 PolarHBondContact O-N 2.71Å; E595-R598 WeakPolarHBondContact O-CB 3.36Å; E595-R598 PolarHBondContact O-N 3.16Å; E595-R598 VanDerWaalsContact O-N 3.15Å; E595-R598 WeakPolarHBondContact OE2-CD 3.49Å; E595-R598 IonicContact OE2-NE 3.56Å; E595-R598 IonicContact OE2-NH1 3.24Å; E595-R598 PolarHBondContact OE2-NH1 3.26Å; E595-I599 HydrophobicContact CG-CD1 4.47Å; E595-I599 VanDerWaalsContact O-CG1 3.3Å; E595-I599 WeakPolarHBondContact O-CG1 2.84Å; E595-I599 PolarHBondContact O-N 2.84Å; E595-R691 IonicContact OE1-CZ 2.84Å; E595-R691 IonicContact OE1-NE 2.55Å; E595-R691 IonicContact OE1-NH2 3.08Å; E595-R691 PolarHBondContact OE1-NH2 3.3Å; E595-L695 HydrophobicContact CB-CD1 4.11Å; E595-L695 HydrophobicContact CB-CD2 3.93Å; E595-L695 HydrophobicContact CG-CD1 3.88Å; E595-L695 HydrophobicContact CG-CD2 3.85Å; E595-L695 HydrophobicContact CG-CG 4.49Å |
| 596 | M | 92.7 | Very high | 92.8 | Very high | 14 Ų | 14 | 76 Ų | 76 | 7% | 0.069 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.5 | -42.8 | 169.8 | -80.9 | -65.4 | -62.5 | 0 | 0 | 112.3 | F592 R600 I692 L695 | F592-M596 HydrophobicContact CD1-CG 4.23Å; F592-M596 HydrophobicContact CD2-CG 4.37Å; F592-M596 HydrophobicContact CE1-CG 3.79Å; F592-M596 HydrophobicContact CE2-CG 3.95Å; F592-M596 HydrophobicContact CE2-SD 4.33Å; F592-M596 HydrophobicContact CZ-CG 3.63Å; F592-M596 HydrophobicContact CZ-SD 4.05Å; F592-M596 VanDerWaalsContact O-CB 3.31Å; F592-M596 WeakPolarHBondContact O-CB 3.22Å; F592-M596 VanDerWaalsContact O-CG 3.3Å; F592-M596 WeakPolarHBondContact O-CG 3.2Å; F592-M596 PolarHBondContact O-N 3.26Å; M596-R600 WeakPolarHBondContact O-CG 3.16Å; M596-R600 PolarHBondContact O-N 3.06Å; M596-I692 HydrophobicContact CE-CD1 4.29Å; M596-I692 HydrophobicContact CE-CG1 4.28Å; M596-I692 HydrophobicContact CE-CG2 4.13Å; M596-I692 HydrophobicContact SD-CG1 4.11Å; M596-I692 HydrophobicContact SD-CG2 4.02Å; M596-L695 HydrophobicContact CG-CD2 3.74Å; M596-L695 HydrophobicContact SD-CD2 3.82Å |
| 597 | K | 93.7 | Very high | 92.5 | Very high | 108 Ų | 108 | 73.7 Ų | 73.7 | 47% | 0.47 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 172.6 | -80.4 | 167.6 | 168.6 | 130.9 | 0 | 111.3 | E593 V594 E595 I599 R600 T601 | E593-K597 HydrophobicContact CG-CD 4.44Å; E593-K597 WeakPolarHBondContact O-CB 3.43Å; E593-K597 WeakPolarHBondContact O-CG 3.32Å; E593-K597 PolarHBondContact O-N 3.43Å; E593-K597 WeakPolarHBondContact OE1-CE 3.35Å; E593-K597 IonicContact OE1-NZ 3.18Å; E593-K597 PolarHBondContact OE1-NZ 3.06Å; V594-K597 WeakPolarHBondContact O-CB 3.28Å; V594-K597 PolarHBondContact O-N 3.36Å; E595-K597 VanDerWaalsContact C-N 3.34Å; E595-K597 PolarHBondContact O-N 2.71Å; K597-I599 PolarHBondContact O-N 3.09Å; K597-R600 PolarHBondContact O-N 3.39Å; K597-T601 WeakPolarHBondContact O-CG2 3.2Å; K597-T601 PolarHBondContact O-N 2.87Å; K597-T601 PolarHBondContact O-OG1 3.03Å |
| 598 | R | 94.4 | Very high | 92.1 | Very high | 130 Ų | 130 | 74.3 Ų | 74.3 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56 | -52.7 | 178 | -171.8 | -169 | -178.2 | 163 | 0.6 | 111.2 | V594 E595 R600 T601 E602 | V594-R598 WeakPolarHBondContact O-CB 3.46Å; V594-R598 PolarHBondContact O-N 3.09Å; E595-R598 WeakPolarHBondContact O-CB 3.36Å; E595-R598 PolarHBondContact O-N 3.16Å; E595-R598 VanDerWaalsContact O-N 3.15Å; E595-R598 WeakPolarHBondContact OE2-CD 3.49Å; E595-R598 IonicContact OE2-NE 3.56Å; E595-R598 IonicContact OE2-NH1 3.24Å; E595-R598 PolarHBondContact OE2-NH1 3.26Å; R598-R600 VanDerWaalsContact C-N 3.32Å; R598-R600 PolarHBondContact O-N 2.9Å; R598-T601 PolarHBondContact O-N 2.94Å; R598-T601 PolarHBondContact O-OG1 3.48Å; R598-E602 HydrophobicContact CG-CG 4.32Å; R598-E602 WeakPolarHBondContact CG-OE1 3.45Å; R598-E602 IonicContact CZ-OE1 3.4Å; R598-E602 IonicContact NE-OE1 3.52Å; R598-E602 PolarHBondContact NE-OE1 3.14Å; R598-E602 IonicContact NH2-OE1 2.69Å; R598-E602 WeakPolarHBondContact O-CG 3.26Å; R598-E602 PolarHBondContact O-N 2.98Å |
| 599 | I | 92.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 76.9 Ų | 76.9 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -50.8 | -51.2 | 176.1 | -67.4 | 163.1 | 0 | 0 | 0 | 110.6 | E595 K597 T601 E602 T603 M688 R691 I692 L695 | E595-I599 HydrophobicContact CG-CD1 4.47Å; E595-I599 VanDerWaalsContact O-CG1 3.3Å; E595-I599 WeakPolarHBondContact O-CG1 2.84Å; E595-I599 PolarHBondContact O-N 2.84Å; K597-I599 PolarHBondContact O-N 3.09Å; I599-T601 VanDerWaalsContact C-N 3.34Å; I599-T601 PolarHBondContact O-N 3.41Å; I599-E602 PolarHBondContact O-N 2.94Å; I599-T603 WeakPolarHBondContact O-CG2 3.47Å; I599-T603 PolarHBondContact O-N 3.32Å; I599-T603 PolarHBondContact O-OG1 3.36Å; I599-M688 HydrophobicContact CG2-CG 3.94Å; I599-R691 HydrophobicContact CD1-CG 3.85Å; I599-R691 HydrophobicContact CG1-CG 4.07Å; I599-I692 HydrophobicContact CD1-CG1 4.3Å; I599-I692 HydrophobicContact CG2-CD1 4.49Å; I599-I692 HydrophobicContact CG2-CG1 4.1Å; I599-L695 HydrophobicContact CD1-CB 4.5Å; I599-L695 HydrophobicContact CD1-CD2 3.72Å |
| 600 | R | 89.8 | Confident | 91.7 | Very high | 127 Ų | 127 | 75.4 Ų | 75.4 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 178.7 | -68.3 | 172 | -178.3 | 163.6 | 3.3 | 113 | M596 K597 R598 T603 S604 | M596-R600 WeakPolarHBondContact O-CG 3.16Å; M596-R600 PolarHBondContact O-N 3.06Å; K597-R600 PolarHBondContact O-N 3.39Å; R598-R600 VanDerWaalsContact C-N 3.32Å; R598-R600 PolarHBondContact O-N 2.9Å; R600-T603 PolarHBondContact O-OG1 3.2Å; R600-T603 VanDerWaalsContact O-OG1 3.1Å; R600-S604 WeakPolarHBondContact O-CB 3.32Å; R600-S604 PolarHBondContact O-N 3.14Å; R600-S604 PolarHBondContact O-OG 3.44Å |
| 601 | T | 91.9 | Very high | 91.2 | Very high | 69 Ų | 69 | 71.5 Ų | 71.5 | 42% | 0.423 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -73.7 | -33.8 | 177.6 | 63.6 | 0 | 0 | 0 | 0 | 112.7 | K597 R598 I599 K605 | K597-T601 WeakPolarHBondContact O-CG2 3.2Å; K597-T601 PolarHBondContact O-N 2.87Å; K597-T601 PolarHBondContact O-OG1 3.03Å; R598-T601 PolarHBondContact O-N 2.94Å; R598-T601 PolarHBondContact O-OG1 3.48Å; I599-T601 VanDerWaalsContact C-N 3.34Å; I599-T601 PolarHBondContact O-N 3.41Å; T601-K605 WeakPolarHBondContact O-CB 3.48Å; T601-K605 WeakPolarHBondContact O-CD 3.31Å; T601-K605 VanDerWaalsContact O-CG 3.22Å; T601-K605 WeakPolarHBondContact O-CG 3.45Å; T601-K605 PolarHBondContact O-N 3.37Å |
| 602 | E | 91.7 | Very high | 90.9 | Very high | 53 Ų | 53 | 70.7 Ų | 70.7 | 25% | 0.248 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69 | -44 | 176 | -74 | 175.1 | 177.3 | 0 | 0 | 110.7 | R598 I599 K605 E606 R691 | R598-E602 HydrophobicContact CG-CG 4.32Å; R598-E602 WeakPolarHBondContact CG-OE1 3.45Å; R598-E602 IonicContact CZ-OE1 3.4Å; R598-E602 IonicContact NE-OE1 3.52Å; R598-E602 PolarHBondContact NE-OE1 3.14Å; R598-E602 IonicContact NH2-OE1 2.69Å; R598-E602 WeakPolarHBondContact O-CG 3.26Å; R598-E602 PolarHBondContact O-N 2.98Å; I599-E602 PolarHBondContact O-N 2.94Å; E602-K605 WeakPolarHBondContact O-CB 3.23Å; E602-K605 PolarHBondContact O-N 3.24Å; E602-E606 PolarHBondContact O-N 3.01Å; E602-R691 IonicContact OE2-CZ 2.64Å; E602-R691 VanDerWaalsContact OE2-CZ 3.26Å; E602-R691 IonicContact OE2-NH1 2.71Å; E602-R691 PolarHBondContact OE2-NH1 3.38Å; E602-R691 IonicContact OE2-NH2 3.4Å; E602-R691 PolarHBondContact OE2-NH2 3.12Å |
| 603 | T | 89.5 | Confident | 90.6 | Very high | 21 Ų | 21 | 76.9 Ų | 76.9 | 13% | 0.129 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 173.5 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | I599 R600 K605 E606 E607 Q684 M688 | I599-T603 WeakPolarHBondContact O-CG2 3.47Å; I599-T603 PolarHBondContact O-N 3.32Å; I599-T603 PolarHBondContact O-OG1 3.36Å; R600-T603 PolarHBondContact O-OG1 3.2Å; R600-T603 VanDerWaalsContact O-OG1 3.1Å; T603-K605 VanDerWaalsContact C-N 3.27Å; T603-K605 PolarHBondContact O-N 3.46Å; T603-E606 WeakPolarHBondContact O-CB 3.32Å; T603-E606 PolarHBondContact O-N 3.1Å; T603-E606 VanDerWaalsContact O-N 3.17Å; T603-E607 PolarHBondContact O-N 3.27Å; T603-Q684 HydrophobicContact CG2-CG 4.48Å; T603-Q684 PolarHBondContact O-NE2 3Å; T603-M688 HydrophobicContact CG2-CB 3.95Å; T603-M688 HydrophobicContact CG2-CG 3.84Å; T603-M688 HydrophobicContact CG2-SD 4.02Å |
| 604 | S | 88 | Confident | 90.3 | Very high | 75 Ų | 75 | 73.3 Ų | 73.3 | 52% | 0.524 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.7 | -37.3 | 174.1 | -58.1 | 0 | 0 | 0 | 0 | 112.4 | R600 R608 | R600-S604 WeakPolarHBondContact O-CB 3.32Å; R600-S604 PolarHBondContact O-N 3.14Å; R600-S604 PolarHBondContact O-OG 3.44Å; S604-R608 PolarHBondContact O-N 3.39Å |
| 605 | K | 91 | Very high | 89.8 | Confident | 137 Ų | 137 | 73.3 Ų | 73.3 | 60% | 0.596 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -68.1 | -45.7 | 173.5 | -74.2 | 165.6 | -177.7 | 174.3 | 0 | 111.3 | T601 E602 T603 E607 R608 T609 | T601-K605 WeakPolarHBondContact O-CB 3.48Å; T601-K605 WeakPolarHBondContact O-CD 3.31Å; T601-K605 VanDerWaalsContact O-CG 3.22Å; T601-K605 WeakPolarHBondContact O-CG 3.45Å; T601-K605 PolarHBondContact O-N 3.37Å; E602-K605 WeakPolarHBondContact O-CB 3.23Å; E602-K605 PolarHBondContact O-N 3.24Å; T603-K605 VanDerWaalsContact C-N 3.27Å; T603-K605 PolarHBondContact O-N 3.46Å; K605-E607 VanDerWaalsContact C-N 3.34Å; K605-E607 PolarHBondContact O-N 2.81Å; K605-R608 PolarHBondContact O-N 3.38Å; K605-T609 WeakPolarHBondContact O-CG2 3.48Å; K605-T609 PolarHBondContact O-N 2.93Å |
| 606 | E | 88.9 | Confident | 89.5 | Confident | 69 Ų | 69 | 76.5 Ų | 76.5 | 32% | 0.322 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -54.9 | -48.2 | 175.7 | -76.8 | -171.1 | -171.5 | 0 | 0 | 111.6 | E602 T603 R608 T609 F610 R687 | E602-E606 PolarHBondContact O-N 3.01Å; T603-E606 WeakPolarHBondContact O-CB 3.32Å; T603-E606 PolarHBondContact O-N 3.1Å; T603-E606 VanDerWaalsContact O-N 3.17Å; E606-R608 VanDerWaalsContact C-N 3.32Å; E606-R608 PolarHBondContact O-N 3.18Å; E606-T609 PolarHBondContact O-N 2.79Å; E606-T609 PolarHBondContact O-OG1 3.44Å; E606-F610 PolarHBondContact O-N 2.82Å; E606-R687 IonicContact OE1-NH1 2.84Å; E606-R687 PolarHBondContact OE1-NH1 3.32Å; E606-R687 IonicContact OE2-CZ 2.91Å; E606-R687 VanDerWaalsContact OE2-CZ 3.28Å; E606-R687 IonicContact OE2-NH1 2.69Å; E606-R687 PolarHBondContact OE2-NH1 2.99Å; E606-R687 IonicContact OE2-NH2 2.75Å; E606-R687 PolarHBondContact OE2-NH2 3.5Å |
| 607 | E | 87.4 | Confident | 89.2 | Confident | 44 Ų | 44 | 79.2 Ų | 79.2 | 21% | 0.206 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.6 | -46.2 | 178.8 | -168.7 | -164.7 | 156.3 | 0 | 0 | 110.9 | T603 K605 F610 K611 I640 F680 | T603-E607 PolarHBondContact O-N 3.27Å; K605-E607 VanDerWaalsContact C-N 3.34Å; K605-E607 PolarHBondContact O-N 2.81Å; E607-F610 PolarHBondContact O-N 2.91Å; E607-K611 PolarHBondContact O-N 2.88Å; E607-K611 WeakPolarHBondContact OE1-CE 3.5Å; E607-K611 IonicContact OE1-NZ 3.23Å; E607-K611 PolarHBondContact OE1-NZ 3.15Å; E607-I640 WeakPolarHBondContact OE1-CD1 3.48Å; E607-F680 HydrophobicContact CB-CE1 4.29Å; E607-F680 HydrophobicContact CG-CE1 4.26Å |
| 608 | R | 87.9 | Confident | 88.8 | Confident | 181 Ų | 181 | 74.1 Ų | 74.1 | 68% | 0.683 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.6 | -48.4 | 176.6 | -174 | 174.9 | 178.4 | 173.9 | 1.3 | 111.8 | S604 K605 E606 F610 K611 D612 | S604-R608 PolarHBondContact O-N 3.39Å; K605-R608 PolarHBondContact O-N 3.38Å; E606-R608 VanDerWaalsContact C-N 3.32Å; E606-R608 PolarHBondContact O-N 3.18Å; R608-F610 PolarHBondContact O-N 3.33Å; R608-K611 PolarHBondContact O-N 3.33Å; R608-D612 PolarHBondContact O-N 3.16Å |
| 609 | T | 89.6 | Confident | 88.3 | Confident | 64 Ų | 64 | 70.7 Ų | 70.7 | 39% | 0.393 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65 | -27 | 177.8 | 70.7 | 0 | 0 | 0 | 0 | 113.6 | K605 E606 R613 | K605-T609 WeakPolarHBondContact O-CG2 3.48Å; K605-T609 PolarHBondContact O-N 2.93Å; E606-T609 PolarHBondContact O-N 2.79Å; E606-T609 PolarHBondContact O-OG1 3.44Å; T609-R613 WeakPolarHBondContact O-CB 3.41Å; T609-R613 WeakPolarHBondContact O-CG 3.19Å; T609-R613 PolarHBondContact O-N 3.34Å; T609-R613 PolarHBondContact O-NE 2.97Å; T609-R613 PolarHBondContact OG1-NH2 2.88Å |
| 610 | F | 89.7 | Confident | 88 | Confident | 36 Ų | 36 | 75.7 Ų | 75.7 | 16% | 0.158 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -73.6 | -46 | 174 | -179.6 | -98.7 | 0 | 0 | 0 | 110.8 | E606 E607 R608 D612 R613 L614 L677 F680 | E606-F610 PolarHBondContact O-N 2.82Å; E607-F610 PolarHBondContact O-N 2.91Å; R608-F610 PolarHBondContact O-N 3.33Å; F610-D612 PolarHBondContact O-N 3.33Å; F610-R613 PolarHBondContact O-N 2.88Å; F610-L614 HydrophobicContact CE1-CD2 4.04Å; F610-L614 VanDerWaalsContact O-CB 3.32Å; F610-L614 WeakPolarHBondContact O-CB 3.45Å; F610-L614 PolarHBondContact O-N 2.79Å; F610-L677 HydrophobicContact CD1-CD2 4.43Å; F610-L677 HydrophobicContact CE1-CD2 4.03Å; F610-F680 HydrophobicContact CB-CD1 4.34Å; F610-F680 HydrophobicContact CB-CD2 4.06Å; F610-F680 HydrophobicContact CB-CE1 3.96Å; F610-F680 HydrophobicContact CB-CE2 3.62Å; F610-F680 HydrophobicContact CB-CG 4.4Å; F610-F680 HydrophobicContact CB-CZ 3.57Å; F610-F680 HydrophobicContact CD1-CB 4.06Å; F610-F680 AromaticContact CD1-CD1 3.66Å; F610-F680 HydrophobicContact CD1-CD1 3.66Å; F610-F680 AromaticContact CD1-CD2 3.92Å; F610-F680 HydrophobicContact CD1-CD2 3.92Å; F610-F680 HydrophobicContact CD1-CE1 4.11Å; F610-F680 HydrophobicContact CD1-CE2 4.33Å; F610-F680 AromaticContact CD1-CG 3.57Å; F610-F680 HydrophobicContact CD1-CG 3.57Å; F610-F680 HydrophobicContact CD1-CZ 4.42Å; F610-F680 HydrophobicContact CD2-CB 4.45Å; F610-F680 AromaticContact CD2-CD2 3.38Å; F610-F680 HydrophobicContact CD2-CD2 3.38Å; F610-F680 AromaticContact CD2-CE2 3.72Å; F610-F680 HydrophobicContact CD2-CE2 3.72Å; F610-F680 AromaticContact CD2-CG 3.88Å; F610-F680 HydrophobicContact CD2-CG 3.88Å; F610-F680 HydrophobicContact CD2-CZ 4.47Å; F610-F680 HydrophobicContact CE1-CB 3.61Å; F610-F680 HydrophobicContact CE1-CD1 4.08Å; F610-F680 HydrophobicContact CE1-CD2 4.21Å; F610-F680 AromaticContact CE1-CG 3.68Å; F610-F680 HydrophobicContact CE1-CG 3.68Å; F610-F680 HydrophobicContact CE2-CB 4.04Å; F610-F680 AromaticContact CE2-CD2 3.71Å; F610-F680 HydrophobicContact CE2-CD2 3.71Å; F610-F680 HydrophobicContact CE2-CE2 4.48Å; F610-F680 AromaticContact CE2-CG 3.98Å; F610-F680 HydrophobicContact CE2-CG 3.98Å; F610-F680 HydrophobicContact CG-CB 4.45Å; F610-F680 AromaticContact CG-CD1 3.95Å; F610-F680 HydrophobicContact CG-CD1 3.95Å; F610-F680 AromaticContact CG-CD2 3.5Å; F610-F680 HydrophobicContact CG-CD2 3.5Å; F610-F680 VanDerWaalsContact CG-CD2 3.5Å; F610-F680 HydrophobicContact CG-CE1 4.08Å; F610-F680 AromaticContact CG-CE2 3.62Å; F610-F680 HydrophobicContact CG-CE2 3.62Å; F610-F680 AromaticContact CG-CG 3.67Å; F610-F680 HydrophobicContact CG-CG 3.67Å; F610-F680 AromaticContact CG-CZ 3.92Å; F610-F680 HydrophobicContact CG-CZ 3.92Å; F610-F680 HydrophobicContact CZ-CB 3.6Å; F610-F680 HydrophobicContact CZ-CD2 4.11Å; F610-F680 AromaticContact CZ-CG 3.88Å; F610-F680 HydrophobicContact CZ-CG 3.88Å |
| 611 | K | 85.4 | Confident | 87.8 | Confident | 34 Ų | 34 | 71.9 Ų | 71.9 | 15% | 0.148 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 173.8 | -74.7 | -175.2 | -178.6 | 177.2 | 0 | 112.3 | E607 R608 L614 K615 Y636 D637 | E607-K611 PolarHBondContact O-N 2.88Å; E607-K611 WeakPolarHBondContact OE1-CE 3.5Å; E607-K611 IonicContact OE1-NZ 3.23Å; E607-K611 PolarHBondContact OE1-NZ 3.15Å; R608-K611 PolarHBondContact O-N 3.33Å; K611-L614 PolarHBondContact O-N 2.88Å; K611-K615 VanDerWaalsContact O-CB 3.23Å; K611-K615 WeakPolarHBondContact O-CB 3.32Å; K611-K615 PolarHBondContact O-N 3.22Å; K611-Y636 VanDerWaalsContact CE-CE1 3.45Å; K611-D637 IonicContact NZ-OD1 2.69Å; K611-D637 PolarHBondContact NZ-OD1 3.36Å |
| 612 | D | 87.9 | Confident | 87.3 | Confident | 74 Ų | 74 | 74.9 Ų | 74.9 | 40% | 0.396 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | -179.9 | -70.2 | -31.2 | 0 | 0 | 0 | 111.4 | R608 F610 K615 N616 | R608-D612 PolarHBondContact O-N 3.16Å; F610-D612 PolarHBondContact O-N 3.33Å; D612-K615 PolarHBondContact O-N 2.81Å; D612-N616 VanDerWaalsContact O-CG 3.25Å; D612-N616 PolarHBondContact O-N 2.79Å; D612-N616 VanDerWaalsContact O-N 3.09Å; D612-N616 PolarHBondContact O-OD1 2.82Å |
| 613 | R | 88.3 | Confident | 86.8 | Confident | 161 Ų | 161 | 83.4 Ų | 83.4 | 61% | 0.608 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.5 | -47.8 | 172.7 | -80 | 179.5 | -82.5 | -172.4 | -6.8 | 112.4 | T609 F610 K615 N616 E617 | T609-R613 WeakPolarHBondContact O-CB 3.41Å; T609-R613 WeakPolarHBondContact O-CG 3.19Å; T609-R613 PolarHBondContact O-N 3.34Å; T609-R613 PolarHBondContact O-NE 2.97Å; T609-R613 PolarHBondContact OG1-NH2 2.88Å; F610-R613 PolarHBondContact O-N 2.88Å; R613-K615 VanDerWaalsContact C-N 3.31Å; R613-K615 PolarHBondContact O-N 2.9Å; R613-N616 PolarHBondContact O-N 3.27Å; R613-E617 PolarHBondContact O-N 2.92Å |
| 614 | L | 86.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 86.2 Ų | 86.2 | 1% | 0.005 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.3 | -35.9 | 179.6 | -170.8 | 64.4 | 0 | 0 | 0 | 111.8 | F610 K611 E617 I618 V673 L677 | F610-L614 HydrophobicContact CE1-CD2 4.04Å; F610-L614 VanDerWaalsContact O-CB 3.32Å; F610-L614 WeakPolarHBondContact O-CB 3.45Å; F610-L614 PolarHBondContact O-N 2.79Å; K611-L614 PolarHBondContact O-N 2.88Å; L614-E617 PolarHBondContact O-N 3.08Å; L614-I618 HydrophobicContact CG-CD1 4.12Å; L614-I618 WeakPolarHBondContact O-CB 3.46Å; L614-I618 WeakPolarHBondContact O-CD1 3.45Å; L614-I618 WeakPolarHBondContact O-CG1 3.27Å; L614-I618 PolarHBondContact O-N 3.03Å; L614-V673 HydrophobicContact CD2-CG1 4.06Å; L614-L677 HydrophobicContact CD2-CD1 4.3Å; L614-L677 HydrophobicContact CD2-CD2 3.92Å; L614-L677 HydrophobicContact CD2-CG 3.85Å |
| 615 | K | 85.8 | Confident | 85.9 | Confident | 95 Ų | 95 | 88.4 Ų | 88.4 | 41% | 0.413 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | 174.9 | -178.3 | -179.1 | 175.6 | -174.2 | 0 | 111.9 | K611 D612 R613 E617 I618 D619 L633 | K611-K615 VanDerWaalsContact O-CB 3.23Å; K611-K615 WeakPolarHBondContact O-CB 3.32Å; K611-K615 PolarHBondContact O-N 3.22Å; D612-K615 PolarHBondContact O-N 2.81Å; R613-K615 VanDerWaalsContact C-N 3.31Å; R613-K615 PolarHBondContact O-N 2.9Å; K615-E617 VanDerWaalsContact C-N 3.31Å; K615-E617 PolarHBondContact O-N 2.55Å; K615-I618 PolarHBondContact O-N 3.33Å; K615-D619 PolarHBondContact O-N 3.16Å; K615-L633 HydrophobicContact CB-CD2 4.31Å |
| 616 | N | 86.6 | Confident | 85.4 | Confident | 112 Ų | 112 | 86.3 Ų | 86.3 | 60% | 0.599 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.6 | -40 | 175.7 | -68.3 | -10.5 | 0 | 0 | 0 | 111.6 | D612 R613 D619 | D612-N616 VanDerWaalsContact O-CG 3.25Å; D612-N616 PolarHBondContact O-N 2.79Å; D612-N616 VanDerWaalsContact O-N 3.09Å; D612-N616 PolarHBondContact O-OD1 2.82Å; R613-N616 PolarHBondContact O-N 3.27Å; N616-D619 PolarHBondContact O-N 3.41Å |
| 617 | E | 86.1 | Confident | 85.1 | Confident | 70 Ų | 70 | 90.1 Ų | 90.1 | 33% | 0.327 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 175 | -169.2 | -176.1 | 162.5 | 0 | 0 | 112.1 | R613 L614 K615 D619 T620 Y621 R676 | R613-E617 PolarHBondContact O-N 2.92Å; L614-E617 PolarHBondContact O-N 3.08Å; K615-E617 VanDerWaalsContact C-N 3.31Å; K615-E617 PolarHBondContact O-N 2.55Å; E617-D619 PolarHBondContact O-N 3.48Å; E617-T620 PolarHBondContact O-N 2.88Å; E617-T620 PolarHBondContact O-OG1 3.48Å; E617-Y621 HydrophobicContact CG-CE1 4.23Å; E617-R676 VanDerWaalsContact CD-NH1 3.29Å; E617-R676 IonicContact OE1-CZ 2.78Å; E617-R676 IonicContact OE1-NH1 2.69Å; E617-R676 PolarHBondContact OE1-NH1 2.9Å; E617-R676 IonicContact OE1-NH2 2.69Å; E617-R676 IonicContact OE2-CZ 2.7Å; E617-R676 IonicContact OE2-NH1 3.2Å; E617-R676 PolarHBondContact OE2-NH1 2.96Å; E617-R676 IonicContact OE2-NH2 3.26Å; E617-R676 PolarHBondContact OE2-NH2 2.88Å |
| 618 | I | 85.1 | Confident | 84.7 | Confident | 1 Ų | 1 | 90.1 Ų | 90.1 | 1% | 0.005 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.4 | -35.9 | 175.7 | -72.4 | 167.3 | 0 | 0 | 0 | 111.6 | L614 K615 T620 Y621 R626 A629 K630 L633 V673 | L614-I618 HydrophobicContact CG-CD1 4.12Å; L614-I618 WeakPolarHBondContact O-CB 3.46Å; L614-I618 WeakPolarHBondContact O-CD1 3.45Å; L614-I618 WeakPolarHBondContact O-CG1 3.27Å; L614-I618 PolarHBondContact O-N 3.03Å; K615-I618 PolarHBondContact O-N 3.33Å; I618-T620 PolarHBondContact O-N 3.21Å; I618-Y621 HydrophobicContact CG1-CD2 4.39Å; I618-Y621 HydrophobicContact CG1-CE2 4Å; I618-Y621 WeakPolarHBondContact O-CB 3.46Å; I618-Y621 PolarHBondContact O-N 2.91Å; I618-Y621 VanDerWaalsContact O-N 3.11Å; I618-R626 HydrophobicContact CG2-CG 4.07Å; I618-R626 WeakPolarHBondContact O-CG 3.45Å; I618-A629 HydrophobicContact CB-CB 4.38Å; I618-A629 HydrophobicContact CD1-CB 3.99Å; I618-A629 HydrophobicContact CG1-CB 3.83Å; I618-A629 HydrophobicContact CG2-CB 3.71Å; I618-K630 HydrophobicContact CG2-CB 4.4Å; I618-L633 HydrophobicContact CD1-CD2 4.43Å; I618-V673 HydrophobicContact CD1-CG1 3.94Å; I618-V673 HydrophobicContact CD1-CG2 4.06Å; I618-V673 HydrophobicContact CG1-CG2 4.25Å |
| 619 | D | 85.7 | Confident | 84.5 | Confident | 59 Ų | 59 | 81.6 Ų | 81.6 | 32% | 0.316 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -7.4 | 178.3 | -75.1 | -30.3 | 0 | 0 | 0 | 113.5 | K615 N616 E617 R626 K630 | K615-D619 PolarHBondContact O-N 3.16Å; N616-D619 PolarHBondContact O-N 3.41Å; E617-D619 PolarHBondContact O-N 3.48Å; D619-R626 PolarHBondContact O-NE 3Å; D619-R626 PolarHBondContact O-NH1 2.73Å; D619-R626 PolarHBondContact O-NH2 3.01Å; D619-K630 IonicContact OD1-NZ 3.81Å; D619-K630 PolarHBondContact OD1-NZ 3.48Å; D619-K630 IonicContact OD2-NZ 3.66Å; D619-K630 PolarHBondContact OD2-NZ 3Å |
| 620 | T | 85.5 | Confident | 84.1 | Confident | 107 Ų | 107 | 82.1 Ų | 82.1 | 66% | 0.656 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -17.5 | 166.7 | 75.9 | 0 | 0 | 0 | 0 | 113.9 | E617 I618 | E617-T620 PolarHBondContact O-N 2.88Å; E617-T620 PolarHBondContact O-OG1 3.48Å; I618-T620 PolarHBondContact O-N 3.21Å |
| 621 | Y | 84.5 | Confident | 83.7 | Confident | 47 Ų | 47 | 88.2 Ų | 88.2 | 18% | 0.184 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -68.5 | 154 | -177.7 | -63.5 | -11.6 | 0 | 0 | 0 | 113.1 | E617 I618 M625 R626 A629 V673 | E617-Y621 HydrophobicContact CG-CE1 4.23Å; I618-Y621 HydrophobicContact CG1-CD2 4.39Å; I618-Y621 HydrophobicContact CG1-CE2 4Å; I618-Y621 WeakPolarHBondContact O-CB 3.46Å; I618-Y621 PolarHBondContact O-N 2.91Å; I618-Y621 VanDerWaalsContact O-N 3.11Å; Y621-M625 HydrophobicContact CD2-CB 4.41Å; Y621-R626 VanDerWaalsContact O-CZ 3.26Å; Y621-R626 PolarHBondContact O-NE 2.99Å; Y621-R626 PolarHBondContact O-NH2 3.13Å; Y621-A629 HydrophobicContact CD2-CB 4.06Å; Y621-A629 HydrophobicContact CE2-CB 4.13Å; Y621-V673 HydrophobicContact CE2-CG2 4.43Å |
| 622 | D | 81.8 | Confident | 83.3 | Confident | 132 Ų | 132 | 88.1 Ų | 88.1 | 71% | 0.706 | 42% | 0.421 | S | S | * | . | trans | -53.2 | 150.5 | 171.5 | -75.7 | -40.6 | 0 | 0 | 0 | 113 | A624 M625 R626 | D622-A624 PolarHBondContact O-N 3.11Å; D622-M625 PolarHBondContact O-N 3.4Å; D622-R626 WeakPolarHBondContact O-CB 3.39Å; D622-R626 PolarHBondContact O-N 2.93Å | ||
| 623 | R | 80.7 | Confident | 82.9 | Confident | 231 Ų | 231 | 85.2 Ų | 85.2 | 87% | 0.872 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -49.3 | -40.3 | -171.1 | -177.9 | -178.5 | -79.2 | -151.4 | -1.7 | 114 | K627 | R623-K627 PolarHBondContact O-N 3.31Å |
| 624 | A | 80.3 | Confident | 82.4 | Confident | 80 Ų | 80 | 81.9 Ų | 81.9 | 66% | 0.661 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -70 | -50.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D622 R626 K627 A628 | D622-A624 PolarHBondContact O-N 3.11Å; A624-R626 PolarHBondContact O-N 3.3Å; A624-K627 PolarHBondContact O-N 2.95Å; A624-A628 PolarHBondContact O-N 3.1Å; A624-A628 VanDerWaalsContact O-N 3.15Å |
| 625 | M | 78.8 | Confident | 81.9 | Confident | 121 Ų | 121 | 88.1 Ų | 88.1 | 60% | 0.596 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 178.5 | -70.7 | -62.8 | -76.3 | 0 | 0 | 111.9 | Y621 D622 K627 A628 A629 | Y621-M625 HydrophobicContact CD2-CB 4.41Å; D622-M625 PolarHBondContact O-N 3.4Å; M625-K627 VanDerWaalsContact C-N 3.33Å; M625-K627 PolarHBondContact O-N 3.34Å; M625-A628 PolarHBondContact O-N 2.86Å; M625-A629 VanDerWaalsContact O-CB 3.25Å; M625-A629 WeakPolarHBondContact O-CB 3.32Å; M625-A629 PolarHBondContact O-N 3.3Å |
| 626 | R | 81.5 | Confident | 81.1 | Confident | 93 Ų | 93 | 84.9 Ų | 84.9 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.7 | -42.8 | 174.4 | -170 | 178.8 | -46.9 | 179 | 5 | 112 | I618 D619 Y621 D622 A624 K630 | I618-R626 HydrophobicContact CG2-CG 4.07Å; I618-R626 WeakPolarHBondContact O-CG 3.45Å; D619-R626 PolarHBondContact O-NE 3Å; D619-R626 PolarHBondContact O-NH1 2.73Å; D619-R626 PolarHBondContact O-NH2 3.01Å; Y621-R626 VanDerWaalsContact O-CZ 3.26Å; Y621-R626 PolarHBondContact O-NE 2.99Å; Y621-R626 PolarHBondContact O-NH2 3.13Å; D622-R626 WeakPolarHBondContact O-CB 3.39Å; D622-R626 PolarHBondContact O-N 2.93Å; A624-R626 PolarHBondContact O-N 3.3Å; R626-K630 WeakPolarHBondContact O-CB 3.43Å; R626-K630 PolarHBondContact O-N 2.7Å |
| 627 | K | 82.5 | Confident | 80.2 | Confident | 150 Ų | 150 | 82.4 Ų | 82.4 | 65% | 0.652 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.7 | -35.5 | 179.2 | -169.9 | 176.1 | -177.8 | 179.1 | 0 | 112.5 | R623 A624 M625 R631 | R623-K627 PolarHBondContact O-N 3.31Å; A624-K627 PolarHBondContact O-N 2.95Å; M625-K627 VanDerWaalsContact C-N 3.33Å; M625-K627 PolarHBondContact O-N 3.34Å; K627-R631 WeakPolarHBondContact O-CB 3.46Å; K627-R631 PolarHBondContact O-N 3.1Å |
| 628 | A | 79.1 | Confident | 79.1 | Confident | 43 Ų | 43 | 85.2 Ų | 85.2 | 36% | 0.355 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.4 | -57.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A624 M625 K630 R631 D632 | A624-A628 PolarHBondContact O-N 3.1Å; A624-A628 VanDerWaalsContact O-N 3.15Å; M625-A628 PolarHBondContact O-N 2.86Å; A628-K630 VanDerWaalsContact C-N 3.31Å; A628-K630 PolarHBondContact O-N 3.37Å; A628-R631 WeakPolarHBondContact O-CA 3.47Å; A628-R631 WeakPolarHBondContact O-CB 3.45Å; A628-R631 PolarHBondContact O-N 3.37Å; A628-D632 PolarHBondContact O-N 3.3Å |
| 629 | A | 82.2 | Confident | 78.1 | Confident | 3 Ų | 3 | 89 Ų | 89 | 3% | 0.025 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -53.3 | -42 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I618 Y621 M625 D632 L633 V673 | I618-A629 HydrophobicContact CB-CB 4.38Å; I618-A629 HydrophobicContact CD1-CB 3.99Å; I618-A629 HydrophobicContact CG1-CB 3.83Å; I618-A629 HydrophobicContact CG2-CB 3.71Å; Y621-A629 HydrophobicContact CD2-CB 4.06Å; Y621-A629 HydrophobicContact CE2-CB 4.13Å; M625-A629 VanDerWaalsContact O-CB 3.25Å; M625-A629 WeakPolarHBondContact O-CB 3.32Å; M625-A629 PolarHBondContact O-N 3.3Å; A629-D632 PolarHBondContact O-N 2.87Å; A629-L633 PolarHBondContact O-N 3.47Å; A629-V673 HydrophobicContact CB-CG2 3.71Å |
| 630 | K | 82.6 | Confident | 76.9 | Confident | 74 Ų | 74 | 88.6 Ų | 88.6 | 32% | 0.322 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -72.9 | -28.4 | 178.2 | -149.8 | 159.5 | -159.6 | 155.1 | 0 | 112.1 | I618 D619 R626 A628 N634 | I618-K630 HydrophobicContact CG2-CB 4.4Å; D619-K630 IonicContact OD1-NZ 3.81Å; D619-K630 PolarHBondContact OD1-NZ 3.48Å; D619-K630 IonicContact OD2-NZ 3.66Å; D619-K630 PolarHBondContact OD2-NZ 3Å; R626-K630 WeakPolarHBondContact O-CB 3.43Å; R626-K630 PolarHBondContact O-N 2.7Å; A628-K630 VanDerWaalsContact C-N 3.31Å; A628-K630 PolarHBondContact O-N 3.37Å; K630-N634 WeakPolarHBondContact O-CB 3.37Å; K630-N634 PolarHBondContact O-N 3.45Å; K630-N634 VanDerWaalsContact O-N 3.08Å; K630-N634 PolarHBondContact O-OD1 2.7Å |
| 631 | R | 79.8 | Confident | 75.5 | Confident | 164 Ų | 164 | 89.3 Ų | 89.3 | 62% | 0.619 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.8 | -39.9 | 169.5 | -179.4 | -174.7 | -80.7 | 137.9 | -16.4 | 111.1 | K627 A628 N634 K635 | K627-R631 WeakPolarHBondContact O-CB 3.46Å; K627-R631 PolarHBondContact O-N 3.1Å; A628-R631 WeakPolarHBondContact O-CA 3.47Å; A628-R631 WeakPolarHBondContact O-CB 3.45Å; A628-R631 PolarHBondContact O-N 3.37Å; R631-N634 PolarHBondContact O-N 2.95Å; R631-K635 WeakPolarHBondContact O-CB 3.4Å; R631-K635 PolarHBondContact O-N 2.86Å |
| 632 | D | 78.7 | Confident | 74.1 | Confident | 32 Ų | 32 | 90 Ų | 90 | 17% | 0.171 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 176.2 | -64.5 | -48.7 | 0 | 0 | 0 | 112 | A628 A629 N634 K635 Y636 S671 V673 | A628-D632 PolarHBondContact O-N 3.3Å; A629-D632 PolarHBondContact O-N 2.87Å; D632-N634 PolarHBondContact O-N 2.85Å; D632-K635 WeakPolarHBondContact O-CB 3.44Å; D632-K635 PolarHBondContact O-N 3.06Å; D632-Y636 PolarHBondContact O-N 3.1Å; D632-S671 WeakPolarHBondContact OD2-CB 3.36Å; D632-S671 PolarHBondContact OD2-OG 2.82Å; D632-V673 HydrophobicContact CB-CB 4.48Å; D632-V673 HydrophobicContact CB-CG1 4.35Å |
| 633 | L | 79.6 | Confident | 72.5 | Confident | 13 Ų | 13 | 87.7 Ų | 87.7 | 7% | 0.068 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 174.5 | -171.4 | 65.6 | 0 | 0 | 0 | 111.9 | K615 I618 A629 K635 Y636 D637 L677 | K615-L633 HydrophobicContact CB-CD2 4.31Å; I618-L633 HydrophobicContact CD1-CD2 4.43Å; A629-L633 PolarHBondContact O-N 3.47Å; L633-K635 VanDerWaalsContact C-N 3.34Å; L633-K635 PolarHBondContact O-N 2.7Å; L633-Y636 WeakPolarHBondContact O-CB 3.4Å; L633-Y636 PolarHBondContact O-N 3.01Å; L633-D637 PolarHBondContact O-N 3.37Å; L633-D637 VanDerWaalsContact O-N 3.11Å; L633-L677 HydrophobicContact CD1-CD1 4.14Å; L633-L677 HydrophobicContact CD1-CD2 4.41Å |
| 634 | N | 77.1 | Confident | 71 | Confident | 92 Ų | 92 | 80.5 Ų | 80.5 | 49% | 0.492 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.4 | -34.5 | 175.1 | -69.6 | 5.4 | 0 | 0 | 0 | 112.5 | K630 R631 D632 Y636 D637 H638 | K630-N634 WeakPolarHBondContact O-CB 3.37Å; K630-N634 PolarHBondContact O-N 3.45Å; K630-N634 VanDerWaalsContact O-N 3.08Å; K630-N634 PolarHBondContact O-OD1 2.7Å; R631-N634 PolarHBondContact O-N 2.95Å; D632-N634 PolarHBondContact O-N 2.85Å; N634-Y636 VanDerWaalsContact C-N 3.31Å; N634-D637 PolarHBondContact O-N 2.78Å; N634-H638 PolarHBondContact O-CD2 2.64Å; N634-H638 PolarHBondContact O-N 3.01Å |
| 635 | K | 75.9 | Confident | 69.1 | Low | 132 Ų | 132 | 80.2 Ų | 80.2 | 57% | 0.574 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.7 | -37.4 | 174.3 | -171.7 | -179.3 | -179.2 | -176.1 | 0 | 111 | R631 D632 L633 H638 I639 | R631-K635 WeakPolarHBondContact O-CB 3.4Å; R631-K635 PolarHBondContact O-N 2.86Å; D632-K635 WeakPolarHBondContact O-CB 3.44Å; D632-K635 PolarHBondContact O-N 3.06Å; L633-K635 VanDerWaalsContact C-N 3.34Å; L633-K635 PolarHBondContact O-N 2.7Å; K635-H638 PolarHBondContact O-N 2.69Å; K635-I639 HydrophobicContact CG-CD1 4.4Å; K635-I639 WeakPolarHBondContact O-CG1 3.49Å; K635-I639 PolarHBondContact O-N 2.8Å; K635-I639 VanDerWaalsContact O-N 3.15Å |
| 636 | Y | 69.6 | Low | 67 | Low | 26 Ų | 26 | 80.6 Ų | 80.6 | 10% | 0.102 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.3 | -46 | 173.5 | -175.4 | -94.3 | 0 | 0 | 0 | 112 | K611 D632 L633 N634 H638 I639 I640 L677 | K611-Y636 VanDerWaalsContact CE-CE1 3.45Å; D632-Y636 PolarHBondContact O-N 3.1Å; L633-Y636 WeakPolarHBondContact O-CB 3.4Å; L633-Y636 PolarHBondContact O-N 3.01Å; N634-Y636 VanDerWaalsContact C-N 3.31Å; Y636-H638 PolarHBondContact O-N 2.87Å; Y636-I639 PolarHBondContact O-N 3.37Å; Y636-I640 HydrophobicContact CD1-CD1 3.74Å; Y636-I640 HydrophobicContact CE1-CD1 3.27Å; Y636-I640 HydrophobicContact CE1-CG1 4.32Å; Y636-I640 PolarHBondContact O-N 2.81Å; Y636-L677 HydrophobicContact CD1-CD1 4.45Å; Y636-L677 HydrophobicContact CD1-CD2 4.11Å; Y636-L677 HydrophobicContact CD2-CB 3.98Å; Y636-L677 HydrophobicContact CD2-CD1 4.01Å; Y636-L677 HydrophobicContact CD2-CD2 4.34Å; Y636-L677 HydrophobicContact CD2-CG 4.34Å; Y636-L677 HydrophobicContact CE1-CD2 4Å; Y636-L677 HydrophobicContact CE2-CB 3.9Å; Y636-L677 HydrophobicContact CE2-CD2 4.26Å; Y636-L677 HydrophobicContact CE2-CG 4.49Å; Y636-L677 HydrophobicContact CG-CD1 3.91Å; Y636-L677 HydrophobicContact CG-CD2 4.28Å |
| 637 | D | 67.8 | Low | 64.9 | Low | 60 Ų | 60 | 82.2 Ų | 82.2 | 32% | 0.321 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 176.7 | -77.1 | -22.3 | 0 | 0 | 0 | 112.9 | K611 L633 N634 I639 I640 Q641 | K611-D637 IonicContact NZ-OD1 2.69Å; K611-D637 PolarHBondContact NZ-OD1 3.36Å; L633-D637 PolarHBondContact O-N 3.37Å; L633-D637 VanDerWaalsContact O-N 3.11Å; N634-D637 PolarHBondContact O-N 2.78Å; D637-I639 PolarHBondContact O-N 2.78Å; D637-I640 PolarHBondContact O-N 2.63Å; D637-Q641 PolarHBondContact O-N 3.2Å |
| 638 | H | 63.3 | Low | 62.6 | Low | 130 Ų | 130 | 79.7 Ų | 79.7 | 60% | 0.602 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.7 | -38.4 | 172.2 | -89.8 | -62 | 0 | 0 | 0 | 113.2 | N634 K635 Y636 I640 Q641 S642 | N634-H638 PolarHBondContact O-CD2 2.64Å; N634-H638 PolarHBondContact O-N 3.01Å; K635-H638 PolarHBondContact O-N 2.69Å; Y636-H638 PolarHBondContact O-N 2.87Å; H638-I640 VanDerWaalsContact C-N 3.28Å; H638-I640 PolarHBondContact O-N 2.88Å; H638-Q641 PolarHBondContact O-N 2.84Å; H638-S642 PolarHBondContact O-N 2.8Å; H638-S642 PolarHBondContact O-OG 3.43Å |
| 639 | I | 63.8 | Low | 60.1 | Low | 79 Ų | 79 | 84.5 Ų | 84.5 | 41% | 0.405 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.6 | -30.7 | 175.3 | -67.8 | 164.1 | 0 | 0 | 0 | 111.1 | K635 Y636 D637 S642 N643 | K635-I639 HydrophobicContact CG-CD1 4.4Å; K635-I639 WeakPolarHBondContact O-CG1 3.49Å; K635-I639 PolarHBondContact O-N 2.8Å; K635-I639 VanDerWaalsContact O-N 3.15Å; Y636-I639 PolarHBondContact O-N 3.37Å; D637-I639 PolarHBondContact O-N 2.78Å; I639-S642 PolarHBondContact O-OG 3.28Å; I639-S642 VanDerWaalsContact O-OG 3.09Å; I639-N643 WeakPolarHBondContact O-CB 3.36Å; I639-N643 PolarHBondContact O-N 2.83Å; I639-N643 PolarHBondContact O-ND2 2.79Å |
| 640 | I | 59.2 | Low | 57.6 | Low | 51 Ų | 51 | 93.6 Ų | 93.6 | 26% | 0.262 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.9 | -45.8 | 173.6 | -71.8 | 173.4 | 0 | 0 | 0 | 110.8 | E607 Y636 D637 H638 S642 N643 S644 | E607-I640 WeakPolarHBondContact OE1-CD1 3.48Å; Y636-I640 HydrophobicContact CD1-CD1 3.74Å; Y636-I640 HydrophobicContact CE1-CD1 3.27Å; Y636-I640 HydrophobicContact CE1-CG1 4.32Å; Y636-I640 PolarHBondContact O-N 2.81Å; D637-I640 PolarHBondContact O-N 2.63Å; H638-I640 VanDerWaalsContact C-N 3.28Å; H638-I640 PolarHBondContact O-N 2.88Å; I640-S642 PolarHBondContact O-N 3.46Å; I640-N643 PolarHBondContact O-N 3.07Å; I640-S644 WeakPolarHBondContact O-CB 3.23Å; I640-S644 PolarHBondContact O-N 2.83Å |
| 641 | Q | 56.5 | Low | 55.2 | Low | 123 Ų | 123 | 94.6 Ų | 94.6 | 58% | 0.575 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.3 | -38.3 | 178.2 | -72.8 | -179.6 | -5.5 | 0 | 0 | 112.8 | D637 H638 S644 S645 | D637-Q641 PolarHBondContact O-N 3.2Å; H638-Q641 PolarHBondContact O-N 2.84Å; Q641-S644 PolarHBondContact O-N 2.85Å; Q641-S645 PolarHBondContact O-N 3.39Å; Q641-S645 VanDerWaalsContact O-N 3.11Å; Q641-S645 PolarHBondContact O-OG 2.92Å |
| 642 | S | 55.4 | Low | 52.7 | Low | 61 Ų | 61 | 94.4 Ų | 94.4 | 43% | 0.427 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 175.5 | 65.5 | 0 | 0 | 0 | 0 | 112.3 | H638 I639 I640 S645 L646 | H638-S642 PolarHBondContact O-N 2.8Å; H638-S642 PolarHBondContact O-OG 3.43Å; I639-S642 PolarHBondContact O-OG 3.28Å; I639-S642 VanDerWaalsContact O-OG 3.09Å; I640-S642 PolarHBondContact O-N 3.46Å; S642-S645 PolarHBondContact O-N 3.46Å; S642-L646 WeakPolarHBondContact O-CD1 3.33Å |
| 643 | N | 49.3 | Very low | 50.3 | Low | 83 Ų | 83 | 100.7 Ų | 100.7 | 44% | 0.444 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.2 | -35.4 | 176 | -74.3 | -52.3 | 0 | 0 | 0 | 112.8 | I639 I640 S645 L646 | I639-N643 WeakPolarHBondContact O-CB 3.36Å; I639-N643 PolarHBondContact O-N 2.83Å; I639-N643 PolarHBondContact O-ND2 2.79Å; I640-N643 PolarHBondContact O-N 3.07Å; N643-S645 PolarHBondContact O-N 3.37Å; N643-L646 PolarHBondContact O-N 3.32Å |
| 644 | S | 48.2 | Very low | 47.9 | Very low | 80 Ų | 80 | 104.8 Ų | 104.8 | 56% | 0.559 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.9 | -26.2 | 172.1 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | I640 Q641 T647 | I640-S644 WeakPolarHBondContact O-CB 3.23Å; I640-S644 PolarHBondContact O-N 2.83Å; Q641-S644 PolarHBondContact O-N 2.85Å; S644-T647 PolarHBondContact O-OG1 3.44Å |
| 645 | S | 40 | Very low | 45.6 | Very low | 75 Ų | 75 | 107.6 Ų | 107.6 | 52% | 0.524 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -83.8 | -11.9 | -179.9 | -56.3 | 0 | 0 | 0 | 0 | 113 | Q641 S642 N643 | Q641-S645 PolarHBondContact O-N 3.39Å; Q641-S645 VanDerWaalsContact O-N 3.11Å; Q641-S645 PolarHBondContact O-OG 2.92Å; S642-S645 PolarHBondContact O-N 3.46Å; N643-S645 PolarHBondContact O-N 3.37Å |
| 646 | L | 35 | Very low | 43.3 | Very low | 128 Ų | 128 | 106.7 Ų | 106.7 | 67% | 0.67 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -82.9 | -9.8 | 179.9 | -104.1 | 74.6 | 0 | 0 | 0 | 114 | S642 N643 S648 | S642-L646 WeakPolarHBondContact O-CD1 3.33Å; N643-L646 PolarHBondContact O-N 3.32Å; L646-S648 VanDerWaalsContact C-N 3.29Å; L646-S648 PolarHBondContact O-N 3.03Å |
| 647 | T | 37.7 | Very low | 41.3 | Very low | 128 Ų | 128 | 110.7 Ų | 110.7 | 79% | 0.785 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -82.5 | 3.2 | -176.2 | 58 | 0 | 0 | 0 | 0 | 114.7 | S644 | S644-T647 PolarHBondContact O-OG1 3.44Š|
| 648 | S | 33 | Very low | 39.5 | Very low | 97 Ų | 97 | 112 Ų | 112 | 68% | 0.678 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -112.9 | 1.3 | -177.1 | 62.6 | 0 | 0 | 0 | 0 | 115.5 | L646 | L646-S648 VanDerWaalsContact C-N 3.29Å; L646-S648 PolarHBondContact O-N 3.03Å |
| 649 | L | 27 | Very low | 37.9 | Very low | 144 Ų | 144 | 113.3 Ų | 113.3 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | trans | -101.1 | 116 | -177.7 | -78.9 | 163.3 | 0 | 0 | 0 | 112.5 | ||||
| 650 | K | 30.9 | Very low | 36.2 | Very low | 193 Ų | 193 | 114.7 Ų | 114.7 | 84% | 0.839 | 66% | 0.664 | S | S | * | * | trans | -55.3 | 146.8 | 178.7 | -73 | 171.3 | 174.1 | 173.7 | 0 | 112.2 | N652 | K650-N652 PolarHBondContact O-N 3.27Š| ||
| 651 | S | 31 | Very low | 34.7 | Very low | 96 Ų | 96 | 117.6 Ų | 117.6 | 67% | 0.671 | 69% | 0.685 | S | S | * | * | trans | -13.2 | 117.3 | 153 | 54.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 652 | N | 26.9 | Very low | 33.3 | Very low | 160 Ų | 160 | 117.2 Ų | 117.2 | 86% | 0.856 | 69% | 0.69 | S | S | * | * | trans | -137.8 | 119.7 | 139.6 | -96.6 | -25.4 | 0 | 0 | 0 | 108.5 | K650 S654 | K650-N652 PolarHBondContact O-N 3.27Å; N652-S654 PolarHBondContact O-N 3.02Å | ||
| 653 | N | 29.6 | Very low | 32.1 | Very low | 164 Ų | 164 | 120.2 Ų | 120.2 | 88% | 0.877 | 71% | 0.706 | S | S | * | * | trans | -76.7 | 108.5 | 171.6 | -75.3 | -23.4 | 0 | 0 | 0 | 108.5 | ||||
| 654 | S | 28.9 | Very low | 31.1 | Very low | 99 Ų | 99 | 122 Ų | 122 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | trans | -144.4 | 116.7 | 150.3 | 52.4 | 0 | 0 | 0 | 0 | 110.2 | N652 T656 | N652-S654 PolarHBondContact O-N 3.02Å; S654-T656 PolarHBondContact O-N 3.41Å | ||
| 655 | T | 28.1 | Very low | 30.2 | Very low | 151 Ų | 151 | 125 Ų | 125 | 93% | 0.926 | 73% | 0.726 | S | S | * | * | trans | -71.1 | 97.3 | 173.8 | -6.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 656 | T | 27.1 | Very low | 29.9 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | trans | -134.9 | 91.7 | 166.6 | -40.5 | 0 | 0 | 0 | 0 | 109.8 | S654 | S654-T656 PolarHBondContact O-N 3.41Š| ||
| 657 | T | 28.3 | Very low | 29.9 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | 34.6 | 101.5 | 129.7 | -43.8 | 0 | 0 | 0 | 0 | 116.6 | N659 | T657-N659 PolarHBondContact O-N 3.37Š| |||
| 658 | T | 30.2 | Very low | 30 | Very low | 89 Ų | 89 | 130 Ų | 130 | 55% | 0.546 | 74% | 0.742 | S | S | . | * | trans | 18.7 | 84.3 | 140.7 | 54.6 | 0 | 0 | 0 | 0 | 117.9 | T660 | T658-T660 PolarHBondContact O-N 3.36Š| ||
| 659 | N | 29.2 | Very low | 30.6 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | -76.3 | 68.4 | 142.1 | -79.5 | -7.8 | 0 | 0 | 0 | 109.1 | T657 T661 | T657-N659 PolarHBondContact O-N 3.37Å; N659-T661 PolarHBondContact O-N 3.49Å | ||
| 660 | T | 28.8 | Very low | 31.7 | Very low | 108 Ų | 108 | 128 Ų | 128 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | trans | -69.7 | 80.9 | 152.1 | 36.9 | 0 | 0 | 0 | 0 | 107 | T658 T662 | T658-T660 PolarHBondContact O-N 3.36Å; T660-T662 VanDerWaalsContact C-N 3.32Å; T660-T662 PolarHBondContact O-N 3.45Å | ||
| 661 | T | 28.2 | Very low | 33.4 | Very low | 112 Ų | 112 | 120.4 Ų | 120.4 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | trans | -70.9 | 95.9 | 171.7 | -47.1 | 0 | 0 | 0 | 0 | 107.8 | N659 T663 | N659-T661 PolarHBondContact O-N 3.49Å; T661-T663 PolarHBondContact O-N 3.18Å | ||
| 662 | T | 27.5 | Very low | 35.6 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | trans | -58.7 | 98 | 171 | -58.4 | 0 | 0 | 0 | 0 | 109.2 | T660 | T660-T662 VanDerWaalsContact C-N 3.32Å; T660-T662 PolarHBondContact O-N 3.45Å | ||
| 663 | T | 29.5 | Very low | 38.2 | Very low | 124 Ų | 124 | 113.3 Ų | 113.3 | 76% | 0.761 | 67% | 0.666 | S | S | * | * | trans | -105.9 | 85.4 | 161.2 | -48.6 | 0 | 0 | 0 | 0 | 107.8 | T661 N665 | T661-T663 PolarHBondContact O-N 3.18Å; T663-N665 PolarHBondContact O-N 3.1Å | ||
| 664 | N | 27.7 | Very low | 40.5 | Very low | 121 Ų | 121 | 107.1 Ų | 107.1 | 65% | 0.647 | 64% | 0.635 | S | S | * | * | trans | -56.3 | 128.9 | 159.1 | -77.2 | -16.1 | 0 | 0 | 0 | 108.5 | ||||
| 665 | N | 30.4 | Very low | 43 | Very low | 142 Ų | 142 | 107.2 Ų | 107.2 | 76% | 0.759 | 63% | 0.625 | S | S | * | * | 153 | 149.5 | 128.5 | -77.7 | -20.8 | 0 | 0 | 0 | 112.6 | T663 | T663-N665 PolarHBondContact O-N 3.1Š| |||
| 666 | N | 32.5 | Very low | 45.7 | Very low | 143 Ų | 143 | 103.8 Ų | 103.8 | 77% | 0.765 | 60% | 0.595 | S | S | * | * | trans | 75.2 | 76.3 | 160.6 | -57 | -12.9 | 0 | 0 | 0 | 117.7 | ||||
| 667 | N | 34.7 | Very low | 48.4 | Very low | 142 Ų | 142 | 98.5 Ų | 98.5 | 76% | 0.759 | 56% | 0.563 | S | S | * | * | 28.2 | 126.9 | 115.5 | -67.4 | -9.4 | 0 | 0 | 0 | 119.1 | |||||
| 668 | N | 40.3 | Very low | 51 | Low | 151 Ų | 151 | 96.6 Ų | 96.6 | 81% | 0.807 | 55% | 0.551 | S | S | * | * | trans | 62.9 | 64.9 | 133.6 | -58.3 | -7.5 | 0 | 0 | 0 | 119 | ||||
| 669 | S | 46.1 | Very low | 53.8 | Low | 116 Ų | 116 | 96 Ų | 96 | 81% | 0.811 | 54% | 0.544 | S | S | * | . | -169.4 | 74.6 | 129.7 | 53.9 | 0 | 0 | 0 | 0 | 111 | S671 | S669-S671 PolarHBondContact O-N 3.47Å; S669-S671 VanDerWaalsContact O-N 3.16Å | |||
| 670 | S | 49.6 | Very low | 56.6 | Low | 84 Ų | 84 | 90 Ų | 90 | 59% | 0.587 | 51% | 0.51 | S | S | * | . | trans | -62.2 | 116.7 | 158.2 | -179.2 | 0 | 0 | 0 | 0 | 107.1 | L672 | S670-L672 PolarHBondContact O-N 2.89Š| ||
| 671 | S | 67.4 | Low | 59.3 | Low | 33 Ų | 33 | 89.8 Ų | 89.8 | 23% | 0.231 | 50% | 0.497 | C | S | . | . | trans | -51.2 | 136.4 | 174.6 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | D632 S669 V673 S674 Q675 | D632-S671 WeakPolarHBondContact OD2-CB 3.36Å; D632-S671 PolarHBondContact OD2-OG 2.82Å; S669-S671 PolarHBondContact O-N 3.47Å; S669-S671 VanDerWaalsContact O-N 3.16Å; S671-V673 PolarHBondContact O-N 3.22Å; S671-S674 WeakPolarHBondContact O-CA 3.42Å; S671-S674 WeakPolarHBondContact O-CB 3.44Å; S671-S674 PolarHBondContact O-N 3.45Å; S671-Q675 PolarHBondContact O-N 3.06Å | ||
| 672 | L | 77.5 | Confident | 62.1 | Low | 105 Ų | 105 | 90.1 Ų | 90.1 | 55% | 0.55 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -52 | -33 | 178.5 | -165.5 | 96.2 | 0 | 0 | 0 | 111.4 | S670 R676 | S670-L672 PolarHBondContact O-N 2.89Å; L672-R676 WeakPolarHBondContact O-CB 3.46Å; L672-R676 VanDerWaalsContact O-CG 3.23Å; L672-R676 WeakPolarHBondContact O-CG 3.37Å; L672-R676 PolarHBondContact O-N 3Å |
| 673 | V | 80.4 | Confident | 65.1 | Low | 3 Ų | 3 | 89 Ų | 89 | 2% | 0.018 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -66.1 | -48.5 | 175.3 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | L614 I618 Y621 A629 D632 S671 Q675 R676 L677 | L614-V673 HydrophobicContact CD2-CG1 4.06Å; I618-V673 HydrophobicContact CD1-CG1 3.94Å; I618-V673 HydrophobicContact CD1-CG2 4.06Å; I618-V673 HydrophobicContact CG1-CG2 4.25Å; Y621-V673 HydrophobicContact CE2-CG2 4.43Å; A629-V673 HydrophobicContact CB-CG2 3.71Å; D632-V673 HydrophobicContact CB-CB 4.48Å; D632-V673 HydrophobicContact CB-CG1 4.35Å; S671-V673 PolarHBondContact O-N 3.22Å; V673-Q675 PolarHBondContact O-N 2.86Å; V673-R676 PolarHBondContact O-N 3.15Å; V673-L677 HydrophobicContact CG1-CD1 3.97Å; V673-L677 WeakPolarHBondContact O-CB 3.42Å; V673-L677 WeakPolarHBondContact O-CG 3.27Å; V673-L677 PolarHBondContact O-N 3.09Å |
| 674 | S | 79 | Confident | 67.9 | Low | 33 Ų | 33 | 84 Ų | 84 | 23% | 0.231 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 176.4 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | S671 L677 T678 | S671-S674 WeakPolarHBondContact O-CA 3.42Å; S671-S674 WeakPolarHBondContact O-CB 3.44Å; S671-S674 PolarHBondContact O-N 3.45Å; S674-L677 PolarHBondContact O-N 3.04Å; S674-T678 PolarHBondContact O-N 3.08Å; S674-T678 PolarHBondContact O-OG1 3.28Å |
| 675 | Q | 80.2 | Confident | 70.8 | Confident | 101 Ų | 101 | 83 Ų | 83 | 47% | 0.472 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 176.6 | -173.7 | 176.8 | 0.2 | 0 | 0 | 111.9 | S671 V673 L677 T678 I679 | S671-Q675 PolarHBondContact O-N 3.06Å; V673-Q675 PolarHBondContact O-N 2.86Å; Q675-L677 PolarHBondContact O-N 3.19Å; Q675-T678 PolarHBondContact O-N 2.95Å; Q675-I679 HydrophobicContact CG-CD1 3.89Å; Q675-I679 WeakPolarHBondContact O-CG1 3.31Å; Q675-I679 PolarHBondContact O-N 3.36Å |
| 676 | R | 85.3 | Confident | 73.6 | Confident | 79 Ų | 79 | 80 Ų | 80 | 30% | 0.298 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 176.5 | -75 | 172.1 | 66.6 | -175.3 | -3.8 | 112.6 | E617 L672 V673 F680 | E617-R676 VanDerWaalsContact CD-NH1 3.29Å; E617-R676 IonicContact OE1-CZ 2.78Å; E617-R676 IonicContact OE1-NH1 2.69Å; E617-R676 PolarHBondContact OE1-NH1 2.9Å; E617-R676 IonicContact OE1-NH2 2.69Å; E617-R676 IonicContact OE2-CZ 2.7Å; E617-R676 IonicContact OE2-NH1 3.2Å; E617-R676 PolarHBondContact OE2-NH1 2.96Å; E617-R676 IonicContact OE2-NH2 3.26Å; E617-R676 PolarHBondContact OE2-NH2 2.88Å; L672-R676 WeakPolarHBondContact O-CB 3.46Å; L672-R676 VanDerWaalsContact O-CG 3.23Å; L672-R676 WeakPolarHBondContact O-CG 3.37Å; L672-R676 PolarHBondContact O-N 3Å; V673-R676 PolarHBondContact O-N 3.15Å; R676-F680 VanDerWaalsContact O-CB 3.29Å; R676-F680 WeakPolarHBondContact O-CB 3.48Å; R676-F680 PolarHBondContact O-N 3.13Å |
| 677 | L | 84 | Confident | 76.5 | Confident | 2 Ų | 2 | 79 Ų | 79 | 1% | 0.01 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 174.6 | -77.7 | 162.2 | 0 | 0 | 0 | 112.1 | F610 L614 L633 Y636 V673 S674 Q675 R681 | F610-L677 HydrophobicContact CD1-CD2 4.43Å; F610-L677 HydrophobicContact CE1-CD2 4.03Å; L614-L677 HydrophobicContact CD2-CD1 4.3Å; L614-L677 HydrophobicContact CD2-CD2 3.92Å; L614-L677 HydrophobicContact CD2-CG 3.85Å; L633-L677 HydrophobicContact CD1-CD1 4.14Å; L633-L677 HydrophobicContact CD1-CD2 4.41Å; Y636-L677 HydrophobicContact CD1-CD1 4.45Å; Y636-L677 HydrophobicContact CD1-CD2 4.11Å; Y636-L677 HydrophobicContact CD2-CB 3.98Å; Y636-L677 HydrophobicContact CD2-CD1 4.01Å; Y636-L677 HydrophobicContact CD2-CD2 4.34Å; Y636-L677 HydrophobicContact CD2-CG 4.34Å; Y636-L677 HydrophobicContact CE1-CD2 4Å; Y636-L677 HydrophobicContact CE2-CB 3.9Å; Y636-L677 HydrophobicContact CE2-CD2 4.26Å; Y636-L677 HydrophobicContact CE2-CG 4.49Å; Y636-L677 HydrophobicContact CG-CD1 3.91Å; Y636-L677 HydrophobicContact CG-CD2 4.28Å; V673-L677 HydrophobicContact CG1-CD1 3.97Å; V673-L677 WeakPolarHBondContact O-CB 3.42Å; V673-L677 WeakPolarHBondContact O-CG 3.27Å; V673-L677 PolarHBondContact O-N 3.09Å; S674-L677 PolarHBondContact O-N 3.04Å; Q675-L677 PolarHBondContact O-N 3.19Å; L677-R681 WeakPolarHBondContact O-CB 3.33Å; L677-R681 PolarHBondContact O-N 3.22Å |
| 678 | T | 83.6 | Confident | 79.1 | Confident | 69 Ų | 69 | 74.6 Ų | 74.6 | 42% | 0.423 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.5 | -51.1 | 176.4 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | S674 Q675 F680 R681 E682 | S674-T678 PolarHBondContact O-N 3.08Å; S674-T678 PolarHBondContact O-OG1 3.28Å; Q675-T678 PolarHBondContact O-N 2.95Å; T678-F680 VanDerWaalsContact C-N 3.33Å; T678-F680 PolarHBondContact O-N 3.39Å; T678-R681 WeakPolarHBondContact O-CB 3.21Å; T678-R681 PolarHBondContact O-N 2.89Å; T678-R681 VanDerWaalsContact O-N 3.1Å; T678-E682 HydrophobicContact CG2-CG 4.4Å; T678-E682 WeakPolarHBondContact O-CG 3.26Å; T678-E682 PolarHBondContact O-N 3.21Å |
| 679 | I | 87.8 | Confident | 81.5 | Confident | 77 Ų | 77 | 71 Ų | 71 | 40% | 0.395 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | -179.9 | -66.6 | 168.4 | 0 | 0 | 0 | 111.2 | Q675 N683 | Q675-I679 HydrophobicContact CG-CD1 3.89Å; Q675-I679 WeakPolarHBondContact O-CG1 3.31Å; Q675-I679 PolarHBondContact O-N 3.36Å; I679-N683 WeakPolarHBondContact O-CB 3.49Å; I679-N683 VanDerWaalsContact O-CG 3.31Å; I679-N683 PolarHBondContact O-N 2.8Å; I679-N683 PolarHBondContact O-ND2 3.05Å |
| 680 | F | 88.9 | Confident | 83.7 | Confident | 32 Ų | 32 | 68.6 Ų | 68.6 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 174.5 | 173.8 | -93 | 0 | 0 | 0 | 111.5 | E607 F610 R676 T678 N683 Q684 | E607-F680 HydrophobicContact CB-CE1 4.29Å; E607-F680 HydrophobicContact CG-CE1 4.26Å; F610-F680 HydrophobicContact CB-CD1 4.34Å; F610-F680 HydrophobicContact CB-CD2 4.06Å; F610-F680 HydrophobicContact CB-CE1 3.96Å; F610-F680 HydrophobicContact CB-CE2 3.62Å; F610-F680 HydrophobicContact CB-CG 4.4Å; F610-F680 HydrophobicContact CB-CZ 3.57Å; F610-F680 HydrophobicContact CD1-CB 4.06Å; F610-F680 AromaticContact CD1-CD1 3.66Å; F610-F680 HydrophobicContact CD1-CD1 3.66Å; F610-F680 AromaticContact CD1-CD2 3.92Å; F610-F680 HydrophobicContact CD1-CD2 3.92Å; F610-F680 HydrophobicContact CD1-CE1 4.11Å; F610-F680 HydrophobicContact CD1-CE2 4.33Å; F610-F680 AromaticContact CD1-CG 3.57Å; F610-F680 HydrophobicContact CD1-CG 3.57Å; F610-F680 HydrophobicContact CD1-CZ 4.42Å; F610-F680 HydrophobicContact CD2-CB 4.45Å; F610-F680 AromaticContact CD2-CD2 3.38Å; F610-F680 HydrophobicContact CD2-CD2 3.38Å; F610-F680 AromaticContact CD2-CE2 3.72Å; F610-F680 HydrophobicContact CD2-CE2 3.72Å; F610-F680 AromaticContact CD2-CG 3.88Å; F610-F680 HydrophobicContact CD2-CG 3.88Å; F610-F680 HydrophobicContact CD2-CZ 4.47Å; F610-F680 HydrophobicContact CE1-CB 3.61Å; F610-F680 HydrophobicContact CE1-CD1 4.08Å; F610-F680 HydrophobicContact CE1-CD2 4.21Å; F610-F680 AromaticContact CE1-CG 3.68Å; F610-F680 HydrophobicContact CE1-CG 3.68Å; F610-F680 HydrophobicContact CE2-CB 4.04Å; F610-F680 AromaticContact CE2-CD2 3.71Å; F610-F680 HydrophobicContact CE2-CD2 3.71Å; F610-F680 HydrophobicContact CE2-CE2 4.48Å; F610-F680 AromaticContact CE2-CG 3.98Å; F610-F680 HydrophobicContact CE2-CG 3.98Å; F610-F680 HydrophobicContact CG-CB 4.45Å; F610-F680 AromaticContact CG-CD1 3.95Å; F610-F680 HydrophobicContact CG-CD1 3.95Å; F610-F680 AromaticContact CG-CD2 3.5Å; F610-F680 HydrophobicContact CG-CD2 3.5Å; F610-F680 VanDerWaalsContact CG-CD2 3.5Å; F610-F680 HydrophobicContact CG-CE1 4.08Å; F610-F680 AromaticContact CG-CE2 3.62Å; F610-F680 HydrophobicContact CG-CE2 3.62Å; F610-F680 AromaticContact CG-CG 3.67Å; F610-F680 HydrophobicContact CG-CG 3.67Å; F610-F680 AromaticContact CG-CZ 3.92Å; F610-F680 HydrophobicContact CG-CZ 3.92Å; F610-F680 HydrophobicContact CZ-CB 3.6Å; F610-F680 HydrophobicContact CZ-CD2 4.11Å; F610-F680 AromaticContact CZ-CG 3.88Å; F610-F680 HydrophobicContact CZ-CG 3.88Å; R676-F680 VanDerWaalsContact O-CB 3.29Å; R676-F680 WeakPolarHBondContact O-CB 3.48Å; R676-F680 PolarHBondContact O-N 3.13Å; T678-F680 VanDerWaalsContact C-N 3.33Å; T678-F680 PolarHBondContact O-N 3.39Å; F680-N683 PolarHBondContact O-N 3.43Å; F680-Q684 HydrophobicContact CE1-CB 4.32Å; F680-Q684 HydrophobicContact CZ-CB 4.48Å; F680-Q684 VanDerWaalsContact O-CB 3.24Å; F680-Q684 WeakPolarHBondContact O-CB 3.25Å; F680-Q684 PolarHBondContact O-N 2.83Å |
| 681 | R | 85.1 | Confident | 85.8 | Confident | 102 Ų | 102 | 69.1 Ų | 69.1 | 39% | 0.385 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | -179.8 | -173.5 | -179.4 | -177.2 | 168.6 | 3.9 | 112.1 | L677 T678 N683 Q684 E685 | L677-R681 WeakPolarHBondContact O-CB 3.33Å; L677-R681 PolarHBondContact O-N 3.22Å; T678-R681 WeakPolarHBondContact O-CB 3.21Å; T678-R681 PolarHBondContact O-N 2.89Å; T678-R681 VanDerWaalsContact O-N 3.1Å; R681-N683 PolarHBondContact O-N 2.99Å; R681-Q684 PolarHBondContact O-N 2.92Å; R681-E685 VanDerWaalsContact O-CB 3.28Å; R681-E685 WeakPolarHBondContact O-CB 3.37Å; R681-E685 PolarHBondContact O-N 2.98Å |
| 682 | E | 87.1 | Confident | 87 | Confident | 119 Ų | 119 | 69 Ų | 69 | 56% | 0.556 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.8 | -44.4 | 177.5 | -70.8 | 173.2 | 168.6 | 0 | 0 | 111.4 | T678 E685 S686 | T678-E682 HydrophobicContact CG2-CG 4.4Å; T678-E682 WeakPolarHBondContact O-CG 3.26Å; T678-E682 PolarHBondContact O-N 3.21Å; E682-E685 PolarHBondContact O-N 2.86Å; E682-S686 VanDerWaalsContact O-CB 3.25Å; E682-S686 WeakPolarHBondContact O-CB 3.37Å; E682-S686 PolarHBondContact O-N 2.69Å |
| 683 | N | 90.4 | Very high | 87.7 | Confident | 92 Ų | 92 | 71.1 Ų | 71.1 | 49% | 0.492 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.3 | -33.1 | 176.3 | -74 | -29.6 | 0 | 0 | 0 | 113.1 | I679 F680 R681 R687 | I679-N683 WeakPolarHBondContact O-CB 3.49Å; I679-N683 VanDerWaalsContact O-CG 3.31Å; I679-N683 PolarHBondContact O-N 2.8Å; I679-N683 PolarHBondContact O-ND2 3.05Å; F680-N683 PolarHBondContact O-N 3.43Å; R681-N683 PolarHBondContact O-N 2.99Å; N683-R687 WeakPolarHBondContact O-CB 3.44Å; N683-R687 VanDerWaalsContact O-CG 3.27Å; N683-R687 WeakPolarHBondContact O-CG 3.3Å; N683-R687 PolarHBondContact O-N 2.72Å; N683-R687 VanDerWaalsContact O-N 3.16Å; N683-R687 PolarHBondContact O-NE 3.01Å |
| 684 | Q | 88.2 | Confident | 88.3 | Confident | 19 Ų | 19 | 75 Ų | 75 | 9% | 0.089 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -71.3 | -46.1 | 174.6 | -178.4 | -178.6 | 59.3 | 0 | 0 | 111.3 | T603 F680 R681 R687 M688 | T603-Q684 HydrophobicContact CG2-CG 4.48Å; T603-Q684 PolarHBondContact O-NE2 3Å; F680-Q684 HydrophobicContact CE1-CB 4.32Å; F680-Q684 HydrophobicContact CZ-CB 4.48Å; F680-Q684 VanDerWaalsContact O-CB 3.24Å; F680-Q684 WeakPolarHBondContact O-CB 3.25Å; F680-Q684 PolarHBondContact O-N 2.83Å; R681-Q684 PolarHBondContact O-N 2.92Å; Q684-R687 PolarHBondContact O-N 3.19Å; Q684-M688 VanDerWaalsContact O-CB 3.23Å; Q684-M688 WeakPolarHBondContact O-CB 3.39Å; Q684-M688 PolarHBondContact O-N 3.49Å |
| 685 | E | 87.5 | Confident | 89 | Confident | 99 Ų | 99 | 74.5 Ų | 74.5 | 46% | 0.463 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 177.2 | -178.4 | 169.7 | 174.3 | 0 | 0 | 111.1 | R681 E682 M688 N689 | R681-E685 VanDerWaalsContact O-CB 3.28Å; R681-E685 WeakPolarHBondContact O-CB 3.37Å; R681-E685 PolarHBondContact O-N 2.98Å; E682-E685 PolarHBondContact O-N 2.86Å; E685-M688 PolarHBondContact O-N 2.84Å; E685-N689 WeakPolarHBondContact CG-ND2 3.47Å; E685-N689 VanDerWaalsContact O-CB 3.25Å; E685-N689 WeakPolarHBondContact O-CB 3.34Å; E685-N689 PolarHBondContact O-N 3.23Å; E685-N689 PolarHBondContact O-ND2 2.87Å |
| 686 | S | 90.8 | Very high | 89.6 | Confident | 80 Ų | 80 | 70.8 Ų | 70.8 | 56% | 0.559 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.3 | -52.7 | 173.7 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | E682 M688 N689 S690 | E682-S686 VanDerWaalsContact O-CB 3.25Å; E682-S686 WeakPolarHBondContact O-CB 3.37Å; E682-S686 PolarHBondContact O-N 2.69Å; S686-M688 VanDerWaalsContact C-N 3.35Å; S686-M688 PolarHBondContact O-N 2.72Å; S686-N689 PolarHBondContact O-N 2.77Å; S686-S690 PolarHBondContact O-N 3.36Å |
| 687 | R | 91.8 | Very high | 89.8 | Confident | 122 Ų | 122 | 69.4 Ų | 69.4 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 177.1 | -73 | -178.5 | -60.9 | 129.6 | 4.9 | 112.4 | E606 N683 Q684 R691 | E606-R687 IonicContact OE1-NH1 2.84Å; E606-R687 PolarHBondContact OE1-NH1 3.32Å; E606-R687 IonicContact OE2-CZ 2.91Å; E606-R687 VanDerWaalsContact OE2-CZ 3.28Å; E606-R687 IonicContact OE2-NH1 2.69Å; E606-R687 PolarHBondContact OE2-NH1 2.99Å; E606-R687 IonicContact OE2-NH2 2.75Å; E606-R687 PolarHBondContact OE2-NH2 3.5Å; N683-R687 WeakPolarHBondContact O-CB 3.44Å; N683-R687 VanDerWaalsContact O-CG 3.27Å; N683-R687 WeakPolarHBondContact O-CG 3.3Å; N683-R687 PolarHBondContact O-N 2.72Å; N683-R687 VanDerWaalsContact O-N 3.16Å; N683-R687 PolarHBondContact O-NE 3.01Å; Q684-R687 PolarHBondContact O-N 3.19Å; R687-R691 PolarHBondContact O-N 2.94Å |
| 688 | M | 90.6 | Very high | 90.2 | Very high | 48 Ų | 48 | 73.5 Ų | 73.5 | 24% | 0.236 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63 | -49 | 177.5 | -173.1 | -179.3 | 64.2 | 0 | 0 | 111.3 | I599 T603 Q684 E685 S686 S690 R691 I692 | I599-M688 HydrophobicContact CG2-CG 3.94Å; T603-M688 HydrophobicContact CG2-CB 3.95Å; T603-M688 HydrophobicContact CG2-CG 3.84Å; T603-M688 HydrophobicContact CG2-SD 4.02Å; Q684-M688 VanDerWaalsContact O-CB 3.23Å; Q684-M688 WeakPolarHBondContact O-CB 3.39Å; Q684-M688 PolarHBondContact O-N 3.49Å; E685-M688 PolarHBondContact O-N 2.84Å; S686-M688 VanDerWaalsContact C-N 3.35Å; S686-M688 PolarHBondContact O-N 2.72Å; M688-S690 VanDerWaalsContact C-N 3.33Å; M688-S690 PolarHBondContact O-N 2.88Å; M688-R691 PolarHBondContact O-N 3.19Å; M688-I692 HydrophobicContact CG-CD1 3.82Å; M688-I692 HydrophobicContact CG-CG1 4.47Å; M688-I692 WeakPolarHBondContact O-CB 3.38Å; M688-I692 VanDerWaalsContact O-CG1 3.27Å; M688-I692 WeakPolarHBondContact O-CG1 3.46Å; M688-I692 PolarHBondContact O-N 2.62Å; M688-I692 HydrophobicContact SD-CD1 4.47Å |
| 689 | N | 90.5 | Very high | 90.7 | Very high | 77 Ų | 77 | 71.7 Ų | 71.7 | 41% | 0.412 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | -179.3 | -71.5 | -19.8 | 0 | 0 | 0 | 111.4 | E685 S686 I692 Y693 | E685-N689 WeakPolarHBondContact CG-ND2 3.47Å; E685-N689 VanDerWaalsContact O-CB 3.25Å; E685-N689 WeakPolarHBondContact O-CB 3.34Å; E685-N689 PolarHBondContact O-N 3.23Å; E685-N689 PolarHBondContact O-ND2 2.87Å; S686-N689 PolarHBondContact O-N 2.77Å; N689-I692 PolarHBondContact O-N 3.15Å; N689-Y693 VanDerWaalsContact O-CB 3.31Å; N689-Y693 WeakPolarHBondContact O-CB 3.44Å; N689-Y693 PolarHBondContact O-N 2.94Å |
| 690 | S | 92.6 | Very high | 90.8 | Very high | 65 Ų | 65 | 69.3 Ų | 69.3 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.4 | -54.1 | 171.2 | -165.7 | 0 | 0 | 0 | 0 | 111.4 | S686 M688 I692 Y693 D694 | S686-S690 PolarHBondContact O-N 3.36Å; M688-S690 VanDerWaalsContact C-N 3.33Å; M688-S690 PolarHBondContact O-N 2.88Å; S690-I692 VanDerWaalsContact C-N 3.29Å; S690-I692 PolarHBondContact O-N 3.06Å; S690-Y693 WeakPolarHBondContact O-CA 3.47Å; S690-Y693 WeakPolarHBondContact O-CB 3.06Å; S690-Y693 PolarHBondContact O-N 3.03Å; S690-D694 PolarHBondContact O-N 3.28Å; S690-D694 VanDerWaalsContact O-OD2 3.11Å |
| 691 | R | 93.9 | Very high | 90.9 | Very high | 94 Ų | 94 | 75.2 Ų | 75.2 | 36% | 0.355 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.8 | -33.7 | -179 | -172.7 | 172 | 166.3 | -163.3 | -10.1 | 112.7 | E595 I599 E602 R687 M688 L695 | E595-R691 IonicContact OE1-CZ 2.84Å; E595-R691 IonicContact OE1-NE 2.55Å; E595-R691 IonicContact OE1-NH2 3.08Å; E595-R691 PolarHBondContact OE1-NH2 3.3Å; I599-R691 HydrophobicContact CD1-CG 3.85Å; I599-R691 HydrophobicContact CG1-CG 4.07Å; E602-R691 IonicContact OE2-CZ 2.64Å; E602-R691 VanDerWaalsContact OE2-CZ 3.26Å; E602-R691 IonicContact OE2-NH1 2.71Å; E602-R691 PolarHBondContact OE2-NH1 3.38Å; E602-R691 IonicContact OE2-NH2 3.4Å; E602-R691 PolarHBondContact OE2-NH2 3.12Å; R687-R691 PolarHBondContact O-N 2.94Å; M688-R691 PolarHBondContact O-N 3.19Å; R691-L695 WeakPolarHBondContact O-CB 3.26Å; R691-L695 PolarHBondContact O-N 3.09Å |
| 692 | I | 91.8 | Very high | 91.3 | Very high | 31 Ų | 31 | 75.4 Ų | 75.4 | 16% | 0.159 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 171.7 | -71.5 | 172.3 | 0 | 0 | 0 | 110.5 | M596 I599 M688 N689 S690 L695 H696 | M596-I692 HydrophobicContact CE-CD1 4.29Å; M596-I692 HydrophobicContact CE-CG1 4.28Å; M596-I692 HydrophobicContact CE-CG2 4.13Å; M596-I692 HydrophobicContact SD-CG1 4.11Å; M596-I692 HydrophobicContact SD-CG2 4.02Å; I599-I692 HydrophobicContact CD1-CG1 4.3Å; I599-I692 HydrophobicContact CG2-CD1 4.49Å; I599-I692 HydrophobicContact CG2-CG1 4.1Å; M688-I692 HydrophobicContact CG-CD1 3.82Å; M688-I692 HydrophobicContact CG-CG1 4.47Å; M688-I692 WeakPolarHBondContact O-CB 3.38Å; M688-I692 VanDerWaalsContact O-CG1 3.27Å; M688-I692 WeakPolarHBondContact O-CG1 3.46Å; M688-I692 PolarHBondContact O-N 2.62Å; M688-I692 HydrophobicContact SD-CD1 4.47Å; N689-I692 PolarHBondContact O-N 3.15Å; S690-I692 VanDerWaalsContact C-N 3.29Å; S690-I692 PolarHBondContact O-N 3.06Å; I692-L695 PolarHBondContact O-N 2.88Å; I692-H696 PolarHBondContact O-N 2.92Å; I692-H696 PolarHBondContact O-ND1 2.65Å |
| 693 | Y | 92 | Very high | 91.5 | Very high | 150 Ų | 150 | 73.1 Ų | 73.1 | 59% | 0.588 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62 | -45.5 | 177.7 | 176.9 | -100.7 | 0 | 0 | 0 | 111.9 | N689 S690 H696 N697 | N689-Y693 VanDerWaalsContact O-CB 3.31Å; N689-Y693 WeakPolarHBondContact O-CB 3.44Å; N689-Y693 PolarHBondContact O-N 2.94Å; S690-Y693 WeakPolarHBondContact O-CA 3.47Å; S690-Y693 WeakPolarHBondContact O-CB 3.06Å; S690-Y693 PolarHBondContact O-N 3.03Å; Y693-H696 WeakPolarHBondContact O-CB 3.48Å; Y693-H696 PolarHBondContact O-N 2.79Å; Y693-N697 WeakPolarHBondContact CD1-ND2 3.13Å; Y693-N697 WeakPolarHBondContact CE1-ND2 3.48Å; Y693-N697 VanDerWaalsContact CZ-ND2 3.31Å; Y693-N697 PolarHBondContact O-N 3.36Å; Y693-N697 PolarHBondContact O-ND2 3.32Å |
| 694 | D | 93.1 | Very high | 91.4 | Very high | 85 Ų | 85 | 71.2 Ų | 71.2 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 177.2 | -63.1 | -38.6 | 0 | 0 | 0 | 111.7 | S690 H696 N697 E698 | S690-D694 PolarHBondContact O-N 3.28Å; S690-D694 VanDerWaalsContact O-OD2 3.11Å; D694-H696 VanDerWaalsContact C-N 3.33Å; D694-H696 PolarHBondContact O-N 3.38Å; D694-N697 WeakPolarHBondContact O-CB 3.47Å; D694-N697 PolarHBondContact O-N 2.99Å; D694-N697 VanDerWaalsContact O-N 3.17Å; D694-E698 PolarHBondContact O-N 3.27Å |
| 695 | L | 93.3 | Very high | 91.6 | Very high | 21 Ų | 21 | 75 Ų | 75 | 11% | 0.11 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 174.9 | 179.1 | 64.6 | 0 | 0 | 0 | 112.5 | F592 E595 M596 I599 R691 I692 E698 Y699 | F592-L695 HydrophobicContact CD2-CD1 4.28Å; F592-L695 HydrophobicContact CD2-CD2 4.08Å; F592-L695 HydrophobicContact CD2-CG 3.8Å; F592-L695 HydrophobicContact CE2-CD2 4.08Å; F592-L695 HydrophobicContact CE2-CG 3.85Å; E595-L695 HydrophobicContact CB-CD1 4.11Å; E595-L695 HydrophobicContact CB-CD2 3.93Å; E595-L695 HydrophobicContact CG-CD1 3.88Å; E595-L695 HydrophobicContact CG-CD2 3.85Å; E595-L695 HydrophobicContact CG-CG 4.49Å; M596-L695 HydrophobicContact CG-CD2 3.74Å; M596-L695 HydrophobicContact SD-CD2 3.82Å; I599-L695 HydrophobicContact CD1-CB 4.5Å; I599-L695 HydrophobicContact CD1-CD2 3.72Å; R691-L695 WeakPolarHBondContact O-CB 3.26Å; R691-L695 PolarHBondContact O-N 3.09Å; I692-L695 PolarHBondContact O-N 2.88Å; L695-E698 PolarHBondContact O-N 2.75Å; L695-Y699 VanDerWaalsContact O-CB 3.3Å; L695-Y699 WeakPolarHBondContact O-CB 3.44Å; L695-Y699 PolarHBondContact O-N 3.04Å |
| 696 | H | 92.4 | Very high | 91.9 | Very high | 23 Ų | 23 | 71.2 Ų | 71.2 | 11% | 0.106 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 174.3 | -81.1 | 73.4 | 0 | 0 | 0 | 111.8 | F592 I692 Y693 D694 E698 N700 R916 | F592-H696 AromaticContact CE2-ND1 3.93Å; F592-H696 AromaticContact CZ-CD2 3.97Å; F592-H696 AromaticContact CZ-CE1 3.53Å; F592-H696 AromaticContact CZ-ND1 3.93Å; F592-H696 AromaticContact CZ-NE2 3.54Å; I692-H696 PolarHBondContact O-N 2.92Å; I692-H696 PolarHBondContact O-ND1 2.65Å; Y693-H696 WeakPolarHBondContact O-CB 3.48Å; Y693-H696 PolarHBondContact O-N 2.79Å; D694-H696 VanDerWaalsContact C-N 3.33Å; D694-H696 PolarHBondContact O-N 3.38Å; H696-E698 VanDerWaalsContact C-N 3.35Å; H696-N700 VanDerWaalsContact O-CB 3.26Å; H696-N700 WeakPolarHBondContact O-CB 3.18Å; H696-N700 PolarHBondContact O-N 3.25Å; H696-N700 PolarHBondContact O-ND2 3.31Å; H696-R916 PolarHBondContact CD2-NH1 3.06Å; H696-R916 PolarHBondContact NE2-NH1 3.44Å; H696-R916 VanDerWaalsContact NE2-NH1 3.17Å; H696-R916 PolarHBondContact NE2-NH2 3.3Å |
| 697 | N | 91 | Very high | 91.8 | Very high | 51 Ų | 51 | 69 Ų | 69 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 177.4 | -69.8 | -26.6 | 0 | 0 | 0 | 111.5 | Y693 D694 K701 | Y693-N697 WeakPolarHBondContact CD1-ND2 3.13Å; Y693-N697 WeakPolarHBondContact CE1-ND2 3.48Å; Y693-N697 VanDerWaalsContact CZ-ND2 3.31Å; Y693-N697 PolarHBondContact O-N 3.36Å; Y693-N697 PolarHBondContact O-ND2 3.32Å; D694-N697 WeakPolarHBondContact O-CB 3.47Å; D694-N697 PolarHBondContact O-N 2.99Å; D694-N697 VanDerWaalsContact O-N 3.17Å; N697-K701 WeakPolarHBondContact O-CB 3.4Å; N697-K701 VanDerWaalsContact O-CG 3.23Å; N697-K701 WeakPolarHBondContact O-CG 3.5Å; N697-K701 PolarHBondContact O-N 3.22Å |
| 698 | E | 92.4 | Very high | 91.7 | Very high | 88 Ų | 88 | 64.1 Ų | 64.1 | 41% | 0.411 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.1 | -49.7 | 175.2 | -170 | -177.6 | -177.4 | 0 | 0 | 112.1 | D694 L695 H696 N700 K701 R702 | D694-E698 PolarHBondContact O-N 3.27Å; L695-E698 PolarHBondContact O-N 2.75Å; H696-E698 VanDerWaalsContact C-N 3.35Å; E698-N700 VanDerWaalsContact C-N 3.31Å; E698-N700 PolarHBondContact O-N 3.27Å; E698-K701 PolarHBondContact O-N 3.29Å; E698-K701 VanDerWaalsContact O-N 3.15Å; E698-R702 WeakPolarHBondContact O-CG 3.43Å; E698-R702 PolarHBondContact O-N 3.49Å; E698-R702 IonicContact OE1-CZ 3.67Å; E698-R702 VanDerWaalsContact OE1-CZ 3.31Å; E698-R702 IonicContact OE1-NE 3.7Å; E698-R702 PolarHBondContact OE1-NE 2.79Å; E698-R702 IonicContact OE1-NH2 3.47Å; E698-R702 PolarHBondContact OE1-NH2 3.08Å |
| 699 | Y | 92.9 | Very high | 91.8 | Very high | 30 Ų | 30 | 66.1 Ų | 66.1 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54.7 | -47.1 | 175.3 | 166.8 | -93.8 | 0 | 0 | 0 | 111.5 | L588 D589 F592 L695 R702 R703 | L588-Y699 HydrophobicContact CD1-CD2 4.21Å; L588-Y699 HydrophobicContact CD2-CD2 3.95Å; L588-Y699 HydrophobicContact CD2-CE2 3.9Å; L588-Y699 HydrophobicContact CG-CD2 3.7Å; L588-Y699 HydrophobicContact CG-CE2 3.75Å; D589-Y699 VanDerWaalsContact OD1-CE2 3.26Å; D589-Y699 WeakPolarHBondContact OD1-CE2 3.35Å; D589-Y699 VanDerWaalsContact OD1-CZ 3.32Å; D589-Y699 PolarHBondContact OD1-OH 2.66Å; F592-Y699 HydrophobicContact CB-CD2 3.57Å; F592-Y699 HydrophobicContact CB-CE2 4.06Å; F592-Y699 HydrophobicContact CB-CG 4.28Å; F592-Y699 AromaticContact CD2-CD2 3.93Å; F592-Y699 HydrophobicContact CD2-CD2 3.93Å; F592-Y699 AromaticContact CD2-CG 3.75Å; F592-Y699 HydrophobicContact CD2-CG 3.75Å; F592-Y699 HydrophobicContact CE2-CG 4.28Å; F592-Y699 AromaticContact CG-CD2 3.75Å; F592-Y699 HydrophobicContact CG-CD2 3.75Å; F592-Y699 HydrophobicContact CG-CE2 4.27Å; F592-Y699 HydrophobicContact CG-CG 4.02Å; L695-Y699 VanDerWaalsContact O-CB 3.3Å; L695-Y699 WeakPolarHBondContact O-CB 3.44Å; L695-Y699 PolarHBondContact O-N 3.04Å; Y699-R702 PolarHBondContact O-N 2.66Å; Y699-R703 VanDerWaalsContact O-CB 3.27Å; Y699-R703 WeakPolarHBondContact O-CB 3.48Å; Y699-R703 PolarHBondContact O-N 3.14Å |
| 700 | N | 90 | Very high | 91.9 | Very high | 28 Ų | 28 | 64.8 Ų | 64.8 | 15% | 0.15 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 177.3 | -73.4 | -31 | 0 | 0 | 0 | 111.4 | H696 E698 R702 R703 N704 | H696-N700 VanDerWaalsContact O-CB 3.26Å; H696-N700 WeakPolarHBondContact O-CB 3.18Å; H696-N700 PolarHBondContact O-N 3.25Å; H696-N700 PolarHBondContact O-ND2 3.31Å; E698-N700 VanDerWaalsContact C-N 3.31Å; E698-N700 PolarHBondContact O-N 3.27Å; N700-R702 PolarHBondContact O-N 2.96Å; N700-R703 PolarHBondContact O-N 2.8Å; N700-N704 WeakPolarHBondContact O-CB 3.35Å; N700-N704 PolarHBondContact O-N 2.73Å; N700-N704 PolarHBondContact O-OD1 3.49Å |
| 701 | K | 91.6 | Very high | 91.8 | Very high | 155 Ų | 155 | 62.6 Ų | 62.6 | 67% | 0.674 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -58.3 | -47.9 | 175.8 | -75.4 | 168.9 | -178 | 179.6 | 0 | 111.9 | N697 E698 N704 L705 | N697-K701 WeakPolarHBondContact O-CB 3.4Å; N697-K701 VanDerWaalsContact O-CG 3.23Å; N697-K701 WeakPolarHBondContact O-CG 3.5Å; N697-K701 PolarHBondContact O-N 3.22Å; E698-K701 PolarHBondContact O-N 3.29Å; E698-K701 VanDerWaalsContact O-N 3.15Å; K701-N704 PolarHBondContact O-N 2.87Å; K701-L705 PolarHBondContact O-N 2.98Å |
| 702 | R | 94 | Very high | 91.7 | Very high | 107 Ų | 107 | 61.5 Ų | 61.5 | 40% | 0.404 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 178 | -68 | -177.6 | -174.4 | -164.9 | 4.9 | 112 | L588 E591 E698 Y699 N700 N704 L705 I706 | L588-R702 HydrophobicContact CD1-CB 3.79Å; L588-R702 HydrophobicContact CD1-CG 4.41Å; L588-R702 HydrophobicContact CD2-CB 4Å; E591-R702 IonicContact OE2-NH1 3.7Å; E591-R702 PolarHBondContact OE2-NH1 2.85Å; E698-R702 WeakPolarHBondContact O-CG 3.43Å; E698-R702 PolarHBondContact O-N 3.49Å; E698-R702 IonicContact OE1-CZ 3.67Å; E698-R702 VanDerWaalsContact OE1-CZ 3.31Å; E698-R702 IonicContact OE1-NE 3.7Å; E698-R702 PolarHBondContact OE1-NE 2.79Å; E698-R702 IonicContact OE1-NH2 3.47Å; E698-R702 PolarHBondContact OE1-NH2 3.08Å; Y699-R702 PolarHBondContact O-N 2.66Å; N700-R702 PolarHBondContact O-N 2.96Å; R702-N704 VanDerWaalsContact C-N 3.34Å; R702-N704 PolarHBondContact O-N 3.17Å; R702-L705 PolarHBondContact O-N 3.01Å; R702-I706 WeakPolarHBondContact O-CG1 3.17Å; R702-I706 PolarHBondContact O-N 3.07Å |
| 703 | R | 91.1 | Very high | 91.8 | Very high | 71 Ų | 71 | 63.6 Ų | 63.6 | 27% | 0.268 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.1 | -45.8 | 175.7 | 173.8 | 175.8 | 175.1 | -144.6 | -4.9 | 111.6 | M585 L588 Y699 N700 L705 I706 H707 | M585-R703 HydrophobicContact CE-CG 3.89Å; M585-R703 HydrophobicContact SD-CG 4.04Å; L588-R703 HydrophobicContact CD2-CB 3.78Å; Y699-R703 VanDerWaalsContact O-CB 3.27Å; Y699-R703 WeakPolarHBondContact O-CB 3.48Å; Y699-R703 PolarHBondContact O-N 3.14Å; N700-R703 PolarHBondContact O-N 2.8Å; R703-L705 VanDerWaalsContact C-N 3.32Å; R703-L705 PolarHBondContact O-N 2.99Å; R703-I706 PolarHBondContact O-N 3.31Å; R703-H707 WeakPolarHBondContact O-CB 3.41Å; R703-H707 PolarHBondContact O-N 3.44Å |
| 704 | N | 88.5 | Confident | 91.9 | Very high | 51 Ų | 51 | 56.8 Ų | 56.8 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.3 | -36.1 | -179.2 | -62.9 | 6.6 | 0 | 0 | 0 | 111.3 | N700 K701 R702 S708 L909 | N700-N704 WeakPolarHBondContact O-CB 3.35Å; N700-N704 PolarHBondContact O-N 2.73Å; N700-N704 PolarHBondContact O-OD1 3.49Å; K701-N704 PolarHBondContact O-N 2.87Å; R702-N704 VanDerWaalsContact C-N 3.34Å; R702-N704 PolarHBondContact O-N 3.17Å; N704-S708 WeakPolarHBondContact O-CB 3.4Å; N704-S708 PolarHBondContact O-N 3.2Å; N704-L909 HydrophobicContact CB-CD2 4.09Å; N704-L909 VanDerWaalsContact CG-CD2 3.42Å; N704-L909 WeakPolarHBondContact OD1-CD2 3.42Å |
| 705 | L | 91.9 | Very high | 91.8 | Very high | 99 Ų | 99 | 53.6 Ų | 53.6 | 52% | 0.518 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.7 | -54.2 | 173.9 | 179.5 | 62.1 | 0 | 0 | 0 | 111.8 | K701 R702 R703 H707 S708 E709 | K701-L705 PolarHBondContact O-N 2.98Å; R702-L705 PolarHBondContact O-N 3.01Å; R703-L705 VanDerWaalsContact C-N 3.32Å; R703-L705 PolarHBondContact O-N 2.99Å; L705-H707 PolarHBondContact O-N 3.35Å; L705-S708 WeakPolarHBondContact O-CB 3.08Å; L705-S708 PolarHBondContact O-N 2.77Å; L705-E709 HydrophobicContact CD1-CG 4.39Å; L705-E709 WeakPolarHBondContact O-CG 3.46Å; L705-E709 PolarHBondContact O-N 3.06Å |
| 706 | I | 92.8 | Very high | 91.9 | Very high | 20 Ų | 20 | 56 Ų | 56 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57 | -37.8 | 178.6 | -67.7 | 166.6 | 0 | 0 | 0 | 111.2 | Y581 Q584 M585 L588 R702 R703 Y710 | Y581-I706 HydrophobicContact CD2-CG2 3.88Å; Y581-I706 HydrophobicContact CE2-CG2 4.08Å; Q584-I706 HydrophobicContact CB-CD1 4.41Å; Q584-I706 HydrophobicContact CB-CG2 3.82Å; M585-I706 HydrophobicContact SD-CG2 4.36Å; L588-I706 HydrophobicContact CB-CD1 4.47Å; L588-I706 HydrophobicContact CD2-CD1 4.1Å; R702-I706 WeakPolarHBondContact O-CG1 3.17Å; R702-I706 PolarHBondContact O-N 3.07Å; R703-I706 PolarHBondContact O-N 3.31Å; I706-Y710 WeakPolarHBondContact O-CB 3.33Å; I706-Y710 PolarHBondContact O-N 3.41Å |
| 707 | H | 90.2 | Very high | 92 | Very high | 32 Ų | 32 | 56.3 Ų | 56.3 | 15% | 0.148 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.2 | -39.2 | 176.6 | -173.9 | 53.1 | 0 | 0 | 0 | 112.8 | Y581 R703 L705 Y710 L711 D905 | Y581-H707 HydrophobicContact CE2-CB 4.18Å; Y581-H707 AromaticContact CE2-ND1 3.96Å; Y581-H707 AromaticContact CZ-ND1 3.76Å; Y581-H707 PolarHBondContact OH-ND1 3.2Å; R703-H707 WeakPolarHBondContact O-CB 3.41Å; R703-H707 PolarHBondContact O-N 3.44Å; L705-H707 PolarHBondContact O-N 3.35Å; H707-Y710 PolarHBondContact O-N 3.26Å; H707-L711 WeakPolarHBondContact O-CG 3.43Å; H707-L711 PolarHBondContact O-N 2.84Å; H707-D905 IonicContact NE2-OD2 2.71Å |
| 708 | S | 89.1 | Confident | 92.2 | Very high | 20 Ų | 20 | 58 Ų | 58 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 172.8 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | N704 L705 Y710 L711 N712 Y902 | N704-S708 WeakPolarHBondContact O-CB 3.4Å; N704-S708 PolarHBondContact O-N 3.2Å; L705-S708 WeakPolarHBondContact O-CB 3.08Å; L705-S708 PolarHBondContact O-N 2.77Å; S708-Y710 PolarHBondContact O-N 3.35Å; S708-L711 PolarHBondContact O-N 3.35Å; S708-N712 PolarHBondContact O-N 3.28Å; S708-N712 PolarHBondContact O-ND2 2.95Å; S708-N712 PolarHBondContact OG-ND2 3.05Å; S708-Y902 WeakPolarHBondContact CB-OH 3.38Å; S708-Y902 WeakPolarHBondContact OG-CE2 3.48Å; S708-Y902 PolarHBondContact OG-OH 3.42Å |
| 709 | E | 92.1 | Very high | 92.2 | Very high | 91 Ų | 91 | 55.1 Ų | 55.1 | 43% | 0.425 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.2 | -46.9 | 176 | -71 | 171.8 | 175.6 | 0 | 0 | 111.4 | L705 L711 N712 E713 | L705-E709 HydrophobicContact CD1-CG 4.39Å; L705-E709 WeakPolarHBondContact O-CG 3.46Å; L705-E709 PolarHBondContact O-N 3.06Å; E709-L711 PolarHBondContact O-N 2.92Å; E709-N712 PolarHBondContact O-N 3.2Å; E709-E713 PolarHBondContact O-N 3.32Å |
| 710 | Y | 93.3 | Very high | 92.3 | Very high | 48 Ų | 48 | 57.3 Ų | 57.3 | 19% | 0.188 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.6 | -48.4 | 173.5 | 164.1 | -101.3 | 0 | 0 | 0 | 112.5 | I578 Y581 I706 H707 S708 N712 E713 I714 | I578-Y710 HydrophobicContact CG1-CE2 4.03Å; Y581-Y710 HydrophobicContact CD1-CD1 4.34Å; Y581-Y710 HydrophobicContact CD1-CD2 4.14Å; Y581-Y710 HydrophobicContact CD1-CE1 4.47Å; Y581-Y710 HydrophobicContact CD1-CE2 4.25Å; Y581-Y710 HydrophobicContact CD1-CG 4.16Å; Y581-Y710 HydrophobicContact CD2-CD1 4.29Å; Y581-Y710 HydrophobicContact CD2-CD2 4.24Å; Y581-Y710 AromaticContact CD2-CG 3.77Å; Y581-Y710 HydrophobicContact CD2-CG 3.77Å; Y581-Y710 HydrophobicContact CE2-CD1 4.49Å; Y581-Y710 HydrophobicContact CE2-CG 4.39Å; Y581-Y710 HydrophobicContact CG-CD1 4.22Å; Y581-Y710 AromaticContact CG-CD2 3.68Å; Y581-Y710 HydrophobicContact CG-CD2 3.68Å; Y581-Y710 HydrophobicContact CG-CE2 4.22Å; Y581-Y710 AromaticContact CG-CG 3.65Å; Y581-Y710 HydrophobicContact CG-CG 3.65Å; I706-Y710 WeakPolarHBondContact O-CB 3.33Å; I706-Y710 PolarHBondContact O-N 3.41Å; H707-Y710 PolarHBondContact O-N 3.26Å; S708-Y710 PolarHBondContact O-N 3.35Å; Y710-N712 VanDerWaalsContact C-N 3.31Å; Y710-N712 PolarHBondContact O-N 3.49Å; Y710-E713 PolarHBondContact O-N 3.37Å; Y710-I714 HydrophobicContact CD2-CD1 4.19Å; Y710-I714 HydrophobicContact CD2-CG1 3.8Å; Y710-I714 HydrophobicContact CE1-CG1 4.2Å; Y710-I714 HydrophobicContact CE2-CD1 3.53Å; Y710-I714 HydrophobicContact CE2-CG1 3.45Å; Y710-I714 VanDerWaalsContact CE2-CG1 3.45Å; Y710-I714 HydrophobicContact CG-CG1 4.33Å; Y710-I714 WeakPolarHBondContact O-CG1 3.42Å; Y710-I714 PolarHBondContact O-N 3.13Å |
| 711 | L | 90.3 | Very high | 92.5 | Very high | 19 Ų | 19 | 57.9 Ų | 57.9 | 10% | 0.099 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 178.8 | -74.6 | 177.9 | 0 | 0 | 0 | 111.5 | H707 S708 E709 I714 H715 F898 Y902 D905 | H707-L711 WeakPolarHBondContact O-CG 3.43Å; H707-L711 PolarHBondContact O-N 2.84Å; S708-L711 PolarHBondContact O-N 3.35Å; E709-L711 PolarHBondContact O-N 2.92Å; L711-I714 PolarHBondContact O-N 3.34Å; L711-H715 WeakPolarHBondContact O-CB 3.49Å; L711-H715 PolarHBondContact O-N 3.46Å; L711-F898 HydrophobicContact CB-CE2 3.97Å; L711-F898 HydrophobicContact CB-CZ 4.37Å; L711-F898 VanDerWaalsContact O-CE2 3.31Å; L711-F898 WeakPolarHBondContact O-CE2 3.06Å; L711-Y902 HydrophobicContact CD1-CD2 4.07Å; L711-D905 HydrophobicContact CD1-CB 4.43Å |
| 712 | N | 91.6 | Very high | 92.6 | Very high | 71 Ų | 71 | 51.5 Ų | 51.5 | 38% | 0.38 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 175.6 | -73.3 | -58 | 0 | 0 | 0 | 112.7 | S708 E709 Y710 H715 T716 F898 | S708-N712 PolarHBondContact O-N 3.28Å; S708-N712 PolarHBondContact O-ND2 2.95Å; S708-N712 PolarHBondContact OG-ND2 3.05Å; E709-N712 PolarHBondContact O-N 3.2Å; Y710-N712 VanDerWaalsContact C-N 3.31Å; Y710-N712 PolarHBondContact O-N 3.49Å; N712-H715 PolarHBondContact O-N 2.88Å; N712-T716 WeakPolarHBondContact O-CB 3.46Å; N712-T716 PolarHBondContact O-N 2.95Å; N712-T716 PolarHBondContact O-OG1 2.84Å; N712-F898 WeakPolarHBondContact OD1-CZ 3.21Å |
| 713 | E | 94.9 | Very high | 92.5 | Very high | 75 Ų | 75 | 48.5 Ų | 48.5 | 35% | 0.35 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.3 | -49.3 | 175.9 | -174.8 | 179.9 | -167.1 | 0 | 0 | 110.8 | A577 E709 Y710 H715 T716 L717 | A577-E713 HydrophobicContact CB-CG 4.05Å; E709-E713 PolarHBondContact O-N 3.32Å; Y710-E713 PolarHBondContact O-N 3.37Å; E713-H715 VanDerWaalsContact C-N 3.35Å; E713-H715 PolarHBondContact O-N 3.23Å; E713-T716 PolarHBondContact O-N 2.97Å; E713-L717 HydrophobicContact CG-CD1 4.49Å; E713-L717 WeakPolarHBondContact O-CG 3.44Å; E713-L717 PolarHBondContact O-N 3.35Å |
| 714 | I | 93.3 | Very high | 92.7 | Very high | 8 Ų | 8 | 48.2 Ų | 48.2 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 178.7 | -62.9 | -73.8 | 0 | 0 | 0 | 111.3 | M574 A577 I578 Y710 L711 L717 R718 | M574-I714 HydrophobicContact CE-CD1 4.16Å; M574-I714 HydrophobicContact CE-CG2 4.18Å; M574-I714 HydrophobicContact SD-CD1 3.29Å; M574-I714 WeakPolarHBondContact SD-CD1 3.42Å; M574-I714 HydrophobicContact SD-CG1 4.47Å; M574-I714 HydrophobicContact SD-CG2 3.96Å; A577-I714 HydrophobicContact CB-CD1 3.81Å; I578-I714 HydrophobicContact CG1-CD1 4.29Å; Y710-I714 HydrophobicContact CD2-CD1 4.19Å; Y710-I714 HydrophobicContact CD2-CG1 3.8Å; Y710-I714 HydrophobicContact CE1-CG1 4.2Å; Y710-I714 HydrophobicContact CE2-CD1 3.53Å; Y710-I714 HydrophobicContact CE2-CG1 3.45Å; Y710-I714 VanDerWaalsContact CE2-CG1 3.45Å; Y710-I714 HydrophobicContact CG-CG1 4.33Å; Y710-I714 WeakPolarHBondContact O-CG1 3.42Å; Y710-I714 PolarHBondContact O-N 3.13Å; L711-I714 PolarHBondContact O-N 3.34Å; I714-L717 PolarHBondContact O-N 2.81Å; I714-R718 WeakPolarHBondContact O-CG 3.38Å; I714-R718 PolarHBondContact O-N 2.75Å |
| 715 | H | 92.1 | Very high | 92.9 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 8% | 0.083 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.4 | -42.5 | 176.2 | -173.2 | -117.9 | 0 | 0 | 0 | 112.7 | L711 N712 E713 L717 R718 L719 M894 F898 | L711-H715 WeakPolarHBondContact O-CB 3.49Å; L711-H715 PolarHBondContact O-N 3.46Å; N712-H715 PolarHBondContact O-N 2.88Å; E713-H715 VanDerWaalsContact C-N 3.35Å; E713-H715 PolarHBondContact O-N 3.23Å; H715-L717 VanDerWaalsContact C-N 3.32Å; H715-L717 PolarHBondContact O-N 3.37Å; H715-R718 WeakPolarHBondContact O-CB 3.47Å; H715-R718 PolarHBondContact O-N 3.04Å; H715-L719 VanDerWaalsContact CE1-CD1 3.47Å; H715-L719 WeakPolarHBondContact CE1-CD1 3.19Å; H715-L719 PolarHBondContact O-N 2.91Å; H715-M894 PolarHBondContact NE2-O 3.27Å; H715-F898 HydrophobicContact CB-CD2 3.58Å; H715-F898 HydrophobicContact CB-CE2 3.65Å; H715-F898 HydrophobicContact CB-CG 4.03Å; H715-F898 HydrophobicContact CB-CZ 4.17Å; H715-F898 WeakPolarHBondContact CD2-CB 3.42Å; H715-F898 AromaticContact CD2-CD2 3.77Å; H715-F898 AromaticContact CD2-CG 3.59Å; H715-F898 AromaticContact CE1-CG 3.97Å; H715-F898 AromaticContact CG-CD2 3.65Å; H715-F898 AromaticContact CG-CG 3.58Å; H715-F898 AromaticContact ND1-CD1 3.9Å; H715-F898 AromaticContact ND1-CG 3.87Å; H715-F898 VanDerWaalsContact NE2-CB 3.32Å; H715-F898 WeakPolarHBondContact NE2-CB 3.4Å; H715-F898 AromaticContact NE2-CG 3.82Å |
| 716 | T | 93.8 | Very high | 93 | Very high | 71 Ų | 71 | 45.5 Ų | 45.5 | 44% | 0.436 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 176 | -58 | 0 | 0 | 0 | 0 | 111 | N712 E713 L719 N720 | N712-T716 WeakPolarHBondContact O-CB 3.46Å; N712-T716 PolarHBondContact O-N 2.95Å; N712-T716 PolarHBondContact O-OG1 2.84Å; E713-T716 PolarHBondContact O-N 2.97Å; T716-L719 PolarHBondContact O-N 3.14Å; T716-N720 WeakPolarHBondContact O-CB 3.5Å; T716-N720 PolarHBondContact O-N 2.86Å; T716-N720 PolarHBondContact O-ND2 3.43Å |
| 717 | L | 96.2 | Very high | 93 | Very high | 29 Ų | 29 | 50.8 Ų | 50.8 | 15% | 0.152 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 174.3 | -70.8 | 176.1 | 0 | 0 | 0 | 112.6 | Y570 K573 M574 A577 E713 I714 H715 F721 | Y570-L717 HydrophobicContact CE2-CB 4.38Å; K573-L717 HydrophobicContact CB-CD1 4.08Å; K573-L717 HydrophobicContact CB-CD2 3.77Å; K573-L717 HydrophobicContact CD-CD2 3.88Å; K573-L717 HydrophobicContact CG-CD2 4.32Å; M574-L717 HydrophobicContact CE-CB 3.97Å; M574-L717 HydrophobicContact CE-CD1 4.2Å; A577-L717 HydrophobicContact CB-CD1 4.03Å; E713-L717 HydrophobicContact CG-CD1 4.49Å; E713-L717 WeakPolarHBondContact O-CG 3.44Å; E713-L717 PolarHBondContact O-N 3.35Å; I714-L717 PolarHBondContact O-N 2.81Å; H715-L717 VanDerWaalsContact C-N 3.32Å; H715-L717 PolarHBondContact O-N 3.37Å; L717-F721 WeakPolarHBondContact O-CB 3.39Å; L717-F721 PolarHBondContact O-N 3.1Å |
| 718 | R | 94.1 | Very high | 93.1 | Very high | 87 Ų | 87 | 49.9 Ų | 49.9 | 33% | 0.328 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61 | -47.4 | 175 | -71.8 | 172.5 | -174.5 | 178 | 3.1 | 111.8 | Y570 I714 H715 F721 E722 E901 | Y570-R718 HydrophobicContact CE2-CG 4.4Å; Y570-R718 WeakPolarHBondContact OH-CG 3.32Å; I714-R718 WeakPolarHBondContact O-CG 3.38Å; I714-R718 PolarHBondContact O-N 2.75Å; H715-R718 WeakPolarHBondContact O-CB 3.47Å; H715-R718 PolarHBondContact O-N 3.04Å; R718-F721 PolarHBondContact O-N 3.16Å; R718-E722 PolarHBondContact O-N 3.07Å; R718-E722 VanDerWaalsContact O-N 3.12Å; R718-E901 IonicContact CZ-OE1 2.72Å; R718-E901 IonicContact NH1-OE1 3.31Å; R718-E901 PolarHBondContact NH1-OE1 2.92Å; R718-E901 IonicContact NH1-OE2 2.7Å; R718-E901 PolarHBondContact NH1-OE2 3.09Å; R718-E901 IonicContact NH2-OE1 3.78Å |
| 719 | L | 92.6 | Very high | 93.2 | Very high | 28 Ų | 28 | 50.2 Ų | 50.2 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.7 | -42.1 | 179.6 | -75.8 | 177.3 | 0 | 0 | 0 | 112.6 | H715 T716 E723 K891 M894 | H715-L719 VanDerWaalsContact CE1-CD1 3.47Å; H715-L719 WeakPolarHBondContact CE1-CD1 3.19Å; H715-L719 PolarHBondContact O-N 2.91Å; T716-L719 PolarHBondContact O-N 3.14Å; L719-E723 WeakPolarHBondContact O-CB 3.39Å; L719-E723 PolarHBondContact O-N 2.87Å; L719-E723 VanDerWaalsContact O-N 3.07Å; L719-K891 HydrophobicContact CD2-CB 4.43Å; L719-K891 HydrophobicContact CD2-CG 4.14Å; L719-M894 HydrophobicContact CD2-CB 3.96Å; L719-M894 HydrophobicContact CD2-SD 4.05Å |
| 720 | N | 94.4 | Very high | 93.2 | Very high | 76 Ų | 76 | 49 Ų | 49 | 41% | 0.406 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.3 | -41 | 178.6 | -70.2 | -15.4 | 0 | 0 | 0 | 111.4 | T716 E723 D724 | T716-N720 WeakPolarHBondContact O-CB 3.5Å; T716-N720 PolarHBondContact O-N 2.86Å; T716-N720 PolarHBondContact O-ND2 3.43Å; N720-E723 PolarHBondContact O-N 3.47Å; N720-D724 WeakPolarHBondContact O-CB 3.47Å; N720-D724 PolarHBondContact O-N 2.79Å |
| 721 | F | 95.8 | Very high | 93.2 | Very high | 39 Ų | 39 | 53 Ų | 53 | 17% | 0.171 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 176.1 | 172.3 | -108.9 | 0 | 0 | 0 | 112.7 | L566 Y570 L717 R718 E723 D724 K725 | L566-F721 HydrophobicContact CB-CE2 4.45Å; L566-F721 HydrophobicContact CD2-CD2 4.08Å; L566-F721 HydrophobicContact CD2-CE2 4.01Å; L566-F721 HydrophobicContact CG-CD2 3.81Å; L566-F721 HydrophobicContact CG-CE2 3.77Å; Y570-F721 VanDerWaalsContact CB-CD2 3.42Å; Y570-F721 HydrophobicContact CD1-CD1 4.35Å; Y570-F721 HydrophobicContact CD1-CD2 4.33Å; Y570-F721 HydrophobicContact CD1-CE2 4.49Å; Y570-F721 HydrophobicContact CD1-CG 4.24Å; Y570-F721 HydrophobicContact CD2-CB 3.45Å; Y570-F721 VanDerWaalsContact CD2-CB 3.45Å; Y570-F721 HydrophobicContact CD2-CD1 4.32Å; Y570-F721 HydrophobicContact CD2-CD2 4.2Å; Y570-F721 AromaticContact CD2-CG 3.74Å; Y570-F721 HydrophobicContact CD2-CG 3.74Å; Y570-F721 HydrophobicContact CE2-CB 3.96Å; Y570-F721 HydrophobicContact CE2-CD1 4.48Å; Y570-F721 HydrophobicContact CE2-CG 4.3Å; Y570-F721 HydrophobicContact CG-CB 3.92Å; Y570-F721 HydrophobicContact CG-CD1 4.22Å; Y570-F721 AromaticContact CG-CD2 3.74Å; Y570-F721 HydrophobicContact CG-CD2 3.74Å; Y570-F721 HydrophobicContact CG-CE2 4.29Å; Y570-F721 AromaticContact CG-CG 3.69Å; Y570-F721 HydrophobicContact CG-CG 3.69Å; L717-F721 WeakPolarHBondContact O-CB 3.39Å; L717-F721 PolarHBondContact O-N 3.1Å; R718-F721 PolarHBondContact O-N 3.16Å; F721-E723 VanDerWaalsContact C-N 3.31Å; F721-E723 PolarHBondContact O-N 3.45Å; F721-D724 PolarHBondContact O-N 3.38Å; F721-K725 WeakPolarHBondContact O-CB 3.38Å; F721-K725 PolarHBondContact O-N 2.98Å |
| 722 | E | 91.9 | Very high | 93.5 | Very high | 21 Ų | 21 | 52.5 Ų | 52.5 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.6 | -33.5 | 177 | -169.7 | 68.5 | -172.1 | 0 | 0 | 111.7 | R718 W726 L887 I890 M894 R956 | R718-E722 PolarHBondContact O-N 3.07Å; R718-E722 VanDerWaalsContact O-N 3.12Å; E722-W726 VanDerWaalsContact O-CB 3.27Å; E722-W726 WeakPolarHBondContact O-CB 3.46Å; E722-W726 PolarHBondContact O-N 3.09Å; E722-L887 HydrophobicContact CG-CD1 4.38Å; E722-I890 HydrophobicContact CG-CG2 3.84Å; E722-M894 HydrophobicContact CB-CE 3.93Å; E722-M894 HydrophobicContact CB-SD 4.24Å; E722-M894 HydrophobicContact CG-CE 3.79Å; E722-M894 HydrophobicContact CG-SD 4.36Å; E722-R956 IonicContact OE1-NH1 3Å |
| 723 | E | 93.2 | Very high | 93.5 | Very high | 45 Ų | 45 | 50.3 Ų | 50.3 | 21% | 0.21 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.5 | -47.4 | 173.4 | 179.2 | 168.9 | 168.4 | 0 | 0 | 112.8 | L719 N720 F721 K725 W726 R727 K891 | L719-E723 WeakPolarHBondContact O-CB 3.39Å; L719-E723 PolarHBondContact O-N 2.87Å; L719-E723 VanDerWaalsContact O-N 3.07Å; N720-E723 PolarHBondContact O-N 3.47Å; F721-E723 VanDerWaalsContact C-N 3.31Å; F721-E723 PolarHBondContact O-N 3.45Å; E723-K725 VanDerWaalsContact C-N 3.28Å; E723-K725 PolarHBondContact O-N 3.48Å; E723-W726 PolarHBondContact O-N 2.8Å; E723-R727 HydrophobicContact CG-CG 4.46Å; E723-R727 WeakPolarHBondContact O-CB 3.33Å; E723-R727 VanDerWaalsContact O-CG 3.25Å; E723-R727 WeakPolarHBondContact O-CG 3.46Å; E723-R727 PolarHBondContact O-N 3Å; E723-R727 IonicContact OE1-CZ 3.28Å; E723-R727 VanDerWaalsContact OE1-CZ 3.28Å; E723-R727 IonicContact OE1-NE 2.7Å; E723-R727 PolarHBondContact OE1-NE 2.99Å; E723-R727 IonicContact OE1-NH2 2.97Å; E723-R727 PolarHBondContact OE1-NH2 3.34Å; E723-K891 IonicContact OE2-NZ 3.27Å; E723-K891 PolarHBondContact OE2-NZ 3.32Å |
| 724 | D | 95.1 | Very high | 93.5 | Very high | 64 Ų | 64 | 48.6 Ų | 48.6 | 34% | 0.342 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.8 | -37.9 | 176.8 | -73.4 | -24.7 | 0 | 0 | 0 | 111.1 | L566 N720 F721 T728 | L566-D724 HydrophobicContact CD1-CB 3.64Å; L566-D724 HydrophobicContact CD2-CB 3.89Å; L566-D724 HydrophobicContact CG-CB 4.4Å; N720-D724 WeakPolarHBondContact O-CB 3.47Å; N720-D724 PolarHBondContact O-N 2.79Å; F721-D724 PolarHBondContact O-N 3.38Å; D724-T728 WeakPolarHBondContact O-CB 3.46Å; D724-T728 PolarHBondContact O-N 2.79Å; D724-T728 PolarHBondContact O-OG1 3.22Å |
| 725 | K | 93.5 | Very high | 93.6 | Very high | 57 Ų | 57 | 51.8 Ų | 51.8 | 25% | 0.248 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.1 | -52.8 | 173.8 | 177.2 | 179.3 | 171.9 | -177.3 | 0 | 110.4 | F563 L566 F721 E723 R727 T728 E729 | F563-K725 HydrophobicContact CD1-CG 4.13Å; F563-K725 HydrophobicContact CE1-CB 4.42Å; F563-K725 HydrophobicContact CE1-CG 3.72Å; L566-K725 HydrophobicContact CD2-CB 3.85Å; F721-K725 WeakPolarHBondContact O-CB 3.38Å; F721-K725 PolarHBondContact O-N 2.98Å; E723-K725 VanDerWaalsContact C-N 3.28Å; E723-K725 PolarHBondContact O-N 3.48Å; K725-R727 VanDerWaalsContact C-N 3.34Å; K725-R727 PolarHBondContact O-N 3.29Å; K725-T728 WeakPolarHBondContact O-CA 3.4Å; K725-T728 WeakPolarHBondContact O-CB 3.35Å; K725-T728 PolarHBondContact O-N 3.43Å; K725-E729 WeakPolarHBondContact CE-OE1 3.4Å; K725-E729 HydrophobicContact CG-CG 4.49Å; K725-E729 IonicContact NZ-OE1 2.73Å; K725-E729 PolarHBondContact O-N 2.85Å |
| 726 | W | 92.1 | Very high | 93.7 | Very high | 36 Ų | 36 | 54.8 Ų | 54.8 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 179.3 | -176.2 | 92.5 | 0 | 0 | 0 | 112.4 | E722 E723 T728 E729 H730 Y883 L887 | E722-W726 VanDerWaalsContact O-CB 3.27Å; E722-W726 WeakPolarHBondContact O-CB 3.46Å; E722-W726 PolarHBondContact O-N 3.09Å; E723-W726 PolarHBondContact O-N 2.8Å; W726-T728 PolarHBondContact O-N 2.86Å; W726-E729 PolarHBondContact O-N 3.04Å; W726-H730 HydrophobicContact CE3-CB 4.43Å; W726-H730 HydrophobicContact CH2-CB 4.38Å; W726-H730 AromaticContact CH2-CD2 3.36Å; W726-H730 WeakPolarHBondContact CH2-CD2 3.4Å; W726-H730 AromaticContact CZ2-CD2 3.85Å; W726-H730 HydrophobicContact CZ3-CB 4.27Å; W726-H730 AromaticContact CZ3-CD2 3.91Å; W726-H730 VanDerWaalsContact O-CB 3.29Å; W726-H730 WeakPolarHBondContact O-CB 3.28Å; W726-H730 PolarHBondContact O-N 2.88Å; W726-Y883 PolarHBondContact NE1-O 3.17Å; W726-L887 HydrophobicContact CB-CD1 4.03Å; W726-L887 HydrophobicContact CB-CD2 4.19Å; W726-L887 HydrophobicContact CD2-CB 4.13Å; W726-L887 HydrophobicContact CD2-CD2 3.69Å; W726-L887 HydrophobicContact CD2-CG 4.4Å; W726-L887 HydrophobicContact CE3-CD2 3.81Å; W726-L887 HydrophobicContact CG-CB 4Å; W726-L887 HydrophobicContact CG-CD1 4.12Å; W726-L887 HydrophobicContact CG-CD2 3.86Å; W726-L887 HydrophobicContact CG-CG 4.2Å; W726-L887 HydrophobicContact CZ3-CD2 4.49Å |
| 727 | R | 92.9 | Very high | 93.8 | Very high | 131 Ų | 131 | 53 Ų | 53 | 49% | 0.494 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.4 | -38 | 173.6 | -74.7 | 171.7 | -179.3 | -76 | 0.6 | 111.6 | E723 K725 R731 | E723-R727 HydrophobicContact CG-CG 4.46Å; E723-R727 WeakPolarHBondContact O-CB 3.33Å; E723-R727 VanDerWaalsContact O-CG 3.25Å; E723-R727 WeakPolarHBondContact O-CG 3.46Å; E723-R727 PolarHBondContact O-N 3Å; E723-R727 IonicContact OE1-CZ 3.28Å; E723-R727 VanDerWaalsContact OE1-CZ 3.28Å; E723-R727 IonicContact OE1-NE 2.7Å; E723-R727 PolarHBondContact OE1-NE 2.99Å; E723-R727 IonicContact OE1-NH2 2.97Å; E723-R727 PolarHBondContact OE1-NH2 3.34Å; K725-R727 VanDerWaalsContact C-N 3.34Å; K725-R727 PolarHBondContact O-N 3.29Å; R727-R731 WeakPolarHBondContact O-CG 3.33Å; R727-R731 PolarHBondContact O-N 3.26Å |
| 728 | T | 93 | Very high | 93.8 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 9% | 0.086 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.4 | -51.4 | 176.5 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | E562 F563 D724 K725 W726 H730 R731 F732 | E562-T728 HydrophobicContact CB-CG2 4.12Å; F563-T728 HydrophobicContact CD1-CG2 4.38Å; F563-T728 HydrophobicContact CE1-CG2 3.71Å; F563-T728 HydrophobicContact CZ-CG2 3.78Å; D724-T728 WeakPolarHBondContact O-CB 3.46Å; D724-T728 PolarHBondContact O-N 2.79Å; D724-T728 PolarHBondContact O-OG1 3.22Å; K725-T728 WeakPolarHBondContact O-CA 3.4Å; K725-T728 WeakPolarHBondContact O-CB 3.35Å; K725-T728 PolarHBondContact O-N 3.43Å; W726-T728 PolarHBondContact O-N 2.86Å; T728-H730 VanDerWaalsContact C-N 3.33Å; T728-H730 PolarHBondContact O-N 2.81Å; T728-R731 PolarHBondContact O-N 3.36Å; T728-R731 VanDerWaalsContact O-N 3.13Å; T728-F732 HydrophobicContact CG2-CD2 3.8Å; T728-F732 HydrophobicContact CG2-CE2 3.7Å; T728-F732 VanDerWaalsContact O-CD2 3.31Å; T728-F732 WeakPolarHBondContact O-CD2 3.46Å; T728-F732 PolarHBondContact O-N 3Å; T728-F732 VanDerWaalsContact O-N 3.09Å |
| 729 | E | 92.3 | Very high | 93.8 | Very high | 27 Ų | 27 | 55 Ų | 55 | 13% | 0.126 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -52.3 | -48.3 | 175.1 | -68.6 | -178.6 | 175.2 | 0 | 0 | 111.5 | F563 K725 W726 R731 F732 L733 Y883 | F563-E729 HydrophobicContact CE1-CG 4Å; F563-E729 HydrophobicContact CE2-CG 4.2Å; F563-E729 HydrophobicContact CZ-CB 4.33Å; F563-E729 HydrophobicContact CZ-CG 3.36Å; K725-E729 WeakPolarHBondContact CE-OE1 3.4Å; K725-E729 HydrophobicContact CG-CG 4.49Å; K725-E729 IonicContact NZ-OE1 2.73Å; K725-E729 PolarHBondContact O-N 2.85Å; W726-E729 PolarHBondContact O-N 3.04Å; E729-R731 PolarHBondContact O-N 3.37Å; E729-F732 PolarHBondContact O-N 3.25Å; E729-L733 WeakPolarHBondContact O-CB 3.34Å; E729-L733 PolarHBondContact O-N 3.48Å; E729-Y883 HydrophobicContact CB-CE1 4.32Å |
| 730 | H | 91.4 | Very high | 93.9 | Very high | 64 Ų | 64 | 55.4 Ų | 55.4 | 30% | 0.296 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 178.5 | 179.1 | -69.1 | 0 | 0 | 0 | 113.3 | W726 T728 S734 M880 | W726-H730 HydrophobicContact CE3-CB 4.43Å; W726-H730 HydrophobicContact CH2-CB 4.38Å; W726-H730 AromaticContact CH2-CD2 3.36Å; W726-H730 WeakPolarHBondContact CH2-CD2 3.4Å; W726-H730 AromaticContact CZ2-CD2 3.85Å; W726-H730 HydrophobicContact CZ3-CB 4.27Å; W726-H730 AromaticContact CZ3-CD2 3.91Å; W726-H730 VanDerWaalsContact O-CB 3.29Å; W726-H730 WeakPolarHBondContact O-CB 3.28Å; W726-H730 PolarHBondContact O-N 2.88Å; T728-H730 VanDerWaalsContact C-N 3.33Å; T728-H730 PolarHBondContact O-N 2.81Å; H730-S734 PolarHBondContact O-N 3.29Å; H730-S734 VanDerWaalsContact O-N 3.16Å; H730-S734 PolarHBondContact O-OG 2.9Å; H730-M880 VanDerWaalsContact CE1-CE 3.42Å; H730-M880 WeakPolarHBondContact CE1-CE 3.31Å; H730-M880 VanDerWaalsContact NE2-CE 3.25Å; H730-M880 WeakPolarHBondContact NE2-CE 3.45Å |
| 731 | R | 93.4 | Very high | 94 | Very high | 133 Ų | 133 | 55.8 Ų | 55.8 | 50% | 0.502 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.3 | -47.5 | 174.9 | -71.4 | -172.8 | -49.2 | -153.5 | 7 | 111.1 | E562 R727 T728 E729 L733 S734 M735 | E562-R731 IonicContact OE2-NH2 3.63Å; E562-R731 PolarHBondContact OE2-NH2 2.86Å; R727-R731 WeakPolarHBondContact O-CG 3.33Å; R727-R731 PolarHBondContact O-N 3.26Å; T728-R731 PolarHBondContact O-N 3.36Å; T728-R731 VanDerWaalsContact O-N 3.13Å; E729-R731 PolarHBondContact O-N 3.37Å; R731-L733 VanDerWaalsContact C-N 3.34Å; R731-L733 PolarHBondContact O-N 2.87Å; R731-S734 WeakPolarHBondContact O-CB 3.36Å; R731-S734 PolarHBondContact O-N 2.98Å; R731-M735 WeakPolarHBondContact O-CG 3.44Å; R731-M735 PolarHBondContact O-N 3.2Å |
| 732 | F | 95.1 | Very high | 94 | Very high | 9 Ų | 9 | 57.2 Ų | 57.2 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -37.1 | -179.5 | -81.4 | -75.8 | 0 | 0 | 0 | 112.5 | L555 K558 M559 E562 T728 E729 S734 M735 K736 | L555-F732 HydrophobicContact CD1-CD1 3.6Å; L555-F732 HydrophobicContact CD1-CE1 3.68Å; L555-F732 HydrophobicContact CG-CD1 3.84Å; L555-F732 HydrophobicContact CG-CE1 4.21Å; L555-F732 WeakPolarHBondContact O-CE1 3.48Å; K558-F732 HydrophobicContact CB-CE1 4.3Å; K558-F732 HydrophobicContact CB-CZ 4.45Å; K558-F732 HydrophobicContact CD-CE1 4.33Å; K558-F732 HydrophobicContact CD-CZ 4.3Å; K558-F732 HydrophobicContact CG-CE1 4.35Å; K558-F732 HydrophobicContact CG-CZ 4.14Å; M559-F732 VanDerWaalsContact CA-CZ 3.42Å; M559-F732 HydrophobicContact CB-CD1 3.67Å; M559-F732 HydrophobicContact CB-CD2 3.98Å; M559-F732 HydrophobicContact CB-CE1 3.67Å; M559-F732 HydrophobicContact CB-CE2 4.01Å; M559-F732 HydrophobicContact CB-CG 3.84Å; M559-F732 HydrophobicContact CB-CZ 3.86Å; M559-F732 HydrophobicContact CG-CB 4.24Å; M559-F732 HydrophobicContact CG-CD1 4.13Å; M559-F732 HydrophobicContact CG-CD2 3.75Å; M559-F732 HydrophobicContact CG-CE1 4.47Å; M559-F732 HydrophobicContact CG-CE2 4.14Å; M559-F732 HydrophobicContact CG-CG 3.77Å; M559-F732 HydrophobicContact CG-CZ 4.49Å; M559-F732 HydrophobicContact SD-CB 4.05Å; M559-F732 HydrophobicContact SD-CG 4.21Å; E562-F732 HydrophobicContact CB-CE2 4.32Å; E562-F732 HydrophobicContact CG-CE2 4.42Å; E562-F732 HydrophobicContact CG-CZ 4.44Å; E562-F732 WeakPolarHBondContact OE1-CZ 3.39Å; T728-F732 HydrophobicContact CG2-CD2 3.8Å; T728-F732 HydrophobicContact CG2-CE2 3.7Å; T728-F732 VanDerWaalsContact O-CD2 3.31Å; T728-F732 WeakPolarHBondContact O-CD2 3.46Å; T728-F732 PolarHBondContact O-N 3Å; T728-F732 VanDerWaalsContact O-N 3.09Å; E729-F732 PolarHBondContact O-N 3.25Å; F732-S734 PolarHBondContact O-N 2.83Å; F732-M735 PolarHBondContact O-N 3.43Å; F732-K736 WeakPolarHBondContact O-CB 3.02Å; F732-K736 PolarHBondContact O-N 3.5Å |
| 733 | L | 93.1 | Very high | 94.2 | Very high | 25 Ų | 25 | 59.5 Ų | 59.5 | 13% | 0.131 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 173.3 | -174.5 | 58.1 | 0 | 0 | 0 | 112.2 | E729 R731 K736 H737 E879 M880 Y883 | E729-L733 WeakPolarHBondContact O-CB 3.34Å; E729-L733 PolarHBondContact O-N 3.48Å; R731-L733 VanDerWaalsContact C-N 3.34Å; R731-L733 PolarHBondContact O-N 2.87Å; L733-K736 PolarHBondContact O-N 3.27Å; L733-H737 PolarHBondContact O-N 2.92Å; L733-H737 VanDerWaalsContact O-N 3.08Å; L733-E879 HydrophobicContact CD2-CB 4.3Å; L733-M880 HydrophobicContact CB-SD 4.38Å; L733-M880 HydrophobicContact CD2-CG 4.48Å; L733-M880 HydrophobicContact CD2-SD 3.56Å; L733-M880 VanDerWaalsContact CD2-SD 3.56Å; L733-M880 HydrophobicContact CG-SD 3.9Å; L733-Y883 HydrophobicContact CD2-CD2 3.47Å; L733-Y883 VanDerWaalsContact CD2-CD2 3.47Å; L733-Y883 HydrophobicContact CD2-CE2 3.7Å; L733-Y883 HydrophobicContact CD2-CG 4.05Å |
| 734 | S | 94.7 | Very high | 94.3 | Very high | 39 Ų | 39 | 59.8 Ų | 59.8 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 174.7 | -52.7 | 0 | 0 | 0 | 0 | 112 | H730 R731 F732 Q738 | H730-S734 PolarHBondContact O-N 3.29Å; H730-S734 VanDerWaalsContact O-N 3.16Å; H730-S734 PolarHBondContact O-OG 2.9Å; R731-S734 WeakPolarHBondContact O-CB 3.36Å; R731-S734 PolarHBondContact O-N 2.98Å; F732-S734 PolarHBondContact O-N 2.83Å; S734-Q738 PolarHBondContact O-N 3.41Å; S734-Q738 VanDerWaalsContact O-N 3.11Å |
| 735 | M | 95.9 | Very high | 94.3 | Very high | 74 Ų | 74 | 59.4 Ų | 59.4 | 37% | 0.365 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 176.3 | -69.9 | 179.2 | 72.6 | 0 | 0 | 112.3 | L555 R731 F732 Q738 L739 | L555-M735 HydrophobicContact CD1-CB 4.04Å; L555-M735 HydrophobicContact CD1-CE 3.6Å; L555-M735 HydrophobicContact CD1-SD 4.07Å; L555-M735 HydrophobicContact CD2-CB 4.04Å; R731-M735 WeakPolarHBondContact O-CG 3.44Å; R731-M735 PolarHBondContact O-N 3.2Å; F732-M735 PolarHBondContact O-N 3.43Å; M735-Q738 WeakPolarHBondContact O-CB 3.36Å; M735-Q738 PolarHBondContact O-N 3.38Å; M735-L739 PolarHBondContact O-N 2.85Å |
| 736 | K | 94.3 | Very high | 94.4 | Very high | 82 Ų | 82 | 59.9 Ų | 59.9 | 36% | 0.357 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 176.5 | -177.4 | 169.1 | -176.9 | 161.2 | 0 | 111.2 | L555 E556 F732 L733 Q738 L739 D740 | L555-K736 HydrophobicContact CD2-CB 4.11Å; E556-K736 IonicContact OE1-NZ 2.67Å; F732-K736 WeakPolarHBondContact O-CB 3.02Å; F732-K736 PolarHBondContact O-N 3.5Å; L733-K736 PolarHBondContact O-N 3.27Å; K736-Q738 VanDerWaalsContact C-N 3.3Å; K736-Q738 PolarHBondContact O-N 3.28Å; K736-L739 PolarHBondContact O-N 3.07Å; K736-D740 PolarHBondContact O-N 2.98Å |
| 737 | H | 95.4 | Very high | 94.6 | Very high | 32 Ų | 32 | 59.6 Ų | 59.6 | 15% | 0.148 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.8 | -41.1 | 173.8 | 169.6 | 62 | 0 | 0 | 0 | 112.6 | L733 D740 R741 D873 H876 | L733-H737 PolarHBondContact O-N 2.92Å; L733-H737 VanDerWaalsContact O-N 3.08Å; H737-D740 PolarHBondContact O-N 2.87Å; H737-R741 WeakPolarHBondContact O-CB 3.47Å; H737-R741 PolarHBondContact O-N 2.82Å; H737-D873 IonicContact CE1-OD1 3.05Å; H737-D873 PolarHBondContact CE1-OD1 3.29Å; H737-D873 IonicContact NE2-OD1 2.72Å; H737-D873 PolarHBondContact NE2-OD1 2.97Å; H737-H876 HydrophobicContact CB-CB 4.19Å; H737-H876 WeakPolarHBondContact CB-ND1 3.44Å; H737-H876 AromaticContact CD2-CD2 3.2Å; H737-H876 PolarHBondContact CD2-CD2 3.28Å; H737-H876 AromaticContact CD2-CG 3.58Å; H737-H876 AromaticContact CD2-NE2 3.64Å; H737-H876 AromaticContact CG-CD2 3.48Å; H737-H876 VanDerWaalsContact CG-CD2 3.48Å; H737-H876 AromaticContact CG-CG 3.32Å; H737-H876 AromaticContact CG-ND1 3.71Å; H737-H876 AromaticContact CG-NE2 3.96Å; H737-H876 WeakPolarHBondContact ND1-CB 3.46Å; H737-H876 AromaticContact ND1-CG 3.67Å; H737-H876 AromaticContact NE2-CD2 3.65Å |
| 738 | Q | 95.8 | Very high | 94.8 | Very high | 119 Ų | 119 | 53.5 Ų | 53.5 | 56% | 0.556 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64.2 | -40.1 | 176.4 | -170.8 | 177.8 | 8.5 | 0 | 0 | 112.5 | S734 M735 K736 R741 N742 | S734-Q738 PolarHBondContact O-N 3.41Å; S734-Q738 VanDerWaalsContact O-N 3.11Å; M735-Q738 WeakPolarHBondContact O-CB 3.36Å; M735-Q738 PolarHBondContact O-N 3.38Å; K736-Q738 VanDerWaalsContact C-N 3.3Å; K736-Q738 PolarHBondContact O-N 3.28Å; Q738-R741 PolarHBondContact O-N 3.38Å; Q738-N742 VanDerWaalsContact O-CG 3.24Å; Q738-N742 PolarHBondContact O-N 3.18Å; Q738-N742 PolarHBondContact O-OD1 2.67Å |
| 739 | L | 94.6 | Very high | 94.9 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 174.3 | -67.1 | -178.8 | 0 | 0 | 0 | 111.6 | Q551 L555 M735 K736 R741 N742 R743 | Q551-L739 HydrophobicContact CB-CD1 4.16Å; Q551-L739 HydrophobicContact CB-CD2 4.49Å; L555-L739 HydrophobicContact CB-CD1 4.36Å; L555-L739 HydrophobicContact CD2-CD1 3.86Å; M735-L739 PolarHBondContact O-N 2.85Å; K736-L739 PolarHBondContact O-N 3.07Å; L739-R741 VanDerWaalsContact C-N 3.29Å; L739-R741 PolarHBondContact O-N 3.02Å; L739-N742 PolarHBondContact O-N 2.75Å; L739-R743 WeakPolarHBondContact O-CB 3.34Å; L739-R743 PolarHBondContact O-N 2.97Å |
| 740 | D | 95.1 | Very high | 95 | Very high | 35 Ų | 35 | 57 Ų | 57 | 19% | 0.187 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -37.9 | 176.5 | -82.2 | -28.2 | 0 | 0 | 0 | 111.8 | K736 H737 R743 Q744 L872 | K736-D740 PolarHBondContact O-N 2.98Å; H737-D740 PolarHBondContact O-N 2.87Å; D740-R743 PolarHBondContact O-N 3Å; D740-Q744 WeakPolarHBondContact O-CG 3.25Å; D740-Q744 PolarHBondContact O-N 3.28Å; D740-L872 HydrophobicContact CB-CD1 4.04Å; D740-L872 HydrophobicContact CB-CD2 4.24Å |
| 741 | R | 96.2 | Very high | 95.1 | Very high | 84 Ų | 84 | 57.6 Ų | 57.6 | 32% | 0.317 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.5 | -46.1 | 176.5 | -171.2 | -174.2 | 179.7 | 97.9 | 4.1 | 111.6 | H737 Q738 L739 Q744 L745 L869 L872 D873 | H737-R741 WeakPolarHBondContact O-CB 3.47Å; H737-R741 PolarHBondContact O-N 2.82Å; Q738-R741 PolarHBondContact O-N 3.38Å; L739-R741 VanDerWaalsContact C-N 3.29Å; L739-R741 PolarHBondContact O-N 3.02Å; R741-Q744 PolarHBondContact O-N 3.05Å; R741-L745 HydrophobicContact CG-CD1 4.44Å; R741-L745 WeakPolarHBondContact O-CG 3.5Å; R741-L745 PolarHBondContact O-N 3.44Å; R741-L869 HydrophobicContact CG-CD2 4Å; R741-L872 VanDerWaalsContact CA-CD2 3.48Å; R741-L872 HydrophobicContact CB-CD2 3.89Å; R741-L872 HydrophobicContact CG-CD2 4.42Å; R741-D873 IonicContact CZ-OD1 3.82Å; R741-D873 IonicContact CZ-OD2 2.64Å; R741-D873 IonicContact NH1-OD1 3.34Å; R741-D873 PolarHBondContact NH1-OD1 3.43Å; R741-D873 IonicContact NH1-OD2 2.69Å; R741-D873 PolarHBondContact NH1-OD2 3.01Å |
| 742 | N | 95.3 | Very high | 95.2 | Very high | 69 Ų | 69 | 55.4 Ų | 55.4 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 176.1 | -68.3 | -9.7 | 0 | 0 | 0 | 110.9 | Q738 L739 Q744 L745 D746 | Q738-N742 VanDerWaalsContact O-CG 3.24Å; Q738-N742 PolarHBondContact O-N 3.18Å; Q738-N742 PolarHBondContact O-OD1 2.67Å; L739-N742 PolarHBondContact O-N 2.75Å; N742-Q744 VanDerWaalsContact C-N 3.31Å; N742-Q744 PolarHBondContact O-N 3.01Å; N742-L745 WeakPolarHBondContact O-CB 3.25Å; N742-L745 PolarHBondContact O-N 2.87Å; N742-L745 VanDerWaalsContact O-N 3.11Å; N742-D746 PolarHBondContact O-N 3.43Å |
| 743 | R | 95 | Very high | 95.1 | Very high | 70 Ų | 70 | 60.3 Ų | 60.3 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -54.6 | -43.8 | 174.6 | -177.8 | -169.2 | 178.3 | -175.9 | -0.6 | 112.1 | L544 N545 A548 L739 D740 L747 | L544-R743 HydrophobicContact CD2-CG 3.83Å; N545-R743 PolarHBondContact OD1-NE 3Å; N545-R743 PolarHBondContact OD1-NH2 3.05Å; A548-R743 HydrophobicContact CB-CB 4.41Å; A548-R743 HydrophobicContact CB-CG 3.88Å; L739-R743 WeakPolarHBondContact O-CB 3.34Å; L739-R743 PolarHBondContact O-N 2.97Å; D740-R743 PolarHBondContact O-N 3Å; R743-L747 HydrophobicContact CG-CD1 4.3Å; R743-L747 WeakPolarHBondContact O-CB 3.43Å; R743-L747 VanDerWaalsContact O-CG 3.28Å; R743-L747 WeakPolarHBondContact O-CG 3.44Å; R743-L747 PolarHBondContact O-N 3.11Å |
| 744 | Q | 95.6 | Very high | 94.9 | Very high | 50 Ų | 50 | 59.7 Ų | 59.7 | 23% | 0.234 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 175.5 | -68.7 | -61 | -36.9 | 0 | 0 | 111.6 | D740 R741 N742 D746 L747 F748 L869 L872 | D740-Q744 WeakPolarHBondContact O-CG 3.25Å; D740-Q744 PolarHBondContact O-N 3.28Å; R741-Q744 PolarHBondContact O-N 3.05Å; N742-Q744 VanDerWaalsContact C-N 3.31Å; N742-Q744 PolarHBondContact O-N 3.01Å; Q744-D746 VanDerWaalsContact C-N 3.31Å; Q744-D746 PolarHBondContact O-N 3.12Å; Q744-L747 PolarHBondContact O-N 3.24Å; Q744-F748 VanDerWaalsContact O-CD2 3.24Å; Q744-F748 WeakPolarHBondContact O-CD2 3.34Å; Q744-F748 PolarHBondContact O-N 2.88Å; Q744-L869 HydrophobicContact CB-CD2 4.07Å; Q744-L872 HydrophobicContact CG-CD2 4.28Å |
| 745 | L | 96.8 | Very high | 94.9 | Very high | 56 Ų | 56 | 59.4 Ų | 59.4 | 29% | 0.293 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.2 | -41.5 | 178.3 | -71.8 | 167.4 | 0 | 0 | 0 | 112.4 | R741 N742 F748 M749 L869 | R741-L745 HydrophobicContact CG-CD1 4.44Å; R741-L745 WeakPolarHBondContact O-CG 3.5Å; R741-L745 PolarHBondContact O-N 3.44Å; N742-L745 WeakPolarHBondContact O-CB 3.25Å; N742-L745 PolarHBondContact O-N 2.87Å; N742-L745 VanDerWaalsContact O-N 3.11Å; L745-F748 PolarHBondContact O-N 3.36Å; L745-M749 WeakPolarHBondContact O-CB 3.24Å; L745-M749 PolarHBondContact O-N 2.95Å; L745-L869 HydrophobicContact CD2-CD1 3.79Å; L745-L869 HydrophobicContact CD2-CD2 4.38Å; L745-L869 HydrophobicContact CG-CD2 4.28Å |
| 746 | D | 95.3 | Very high | 94.7 | Very high | 68 Ų | 68 | 59.1 Ų | 59.1 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70 | -37.3 | 178.5 | -67.1 | -25.9 | 0 | 0 | 0 | 112 | L544 N742 Q744 M749 I750 | L544-D746 HydrophobicContact CD1-CB 3.52Å; L544-D746 HydrophobicContact CG-CB 4.47Å; N742-D746 PolarHBondContact O-N 3.43Å; Q744-D746 VanDerWaalsContact C-N 3.31Å; Q744-D746 PolarHBondContact O-N 3.12Å; D746-M749 HydrophobicContact CB-CE 4.31Å; D746-M749 WeakPolarHBondContact O-CB 3.32Å; D746-M749 PolarHBondContact O-N 2.99Å; D746-M749 VanDerWaalsContact OD1-CE 3.22Å; D746-M749 WeakPolarHBondContact OD1-CE 3.06Å; D746-I750 PolarHBondContact O-N 3.42Å |
| 747 | L | 95.6 | Very high | 94.6 | Very high | 29 Ų | 29 | 56 Ų | 56 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 171.4 | -75.7 | 169 | 0 | 0 | 0 | 112 | T541 L544 R743 Q744 I750 K751 | T541-L747 HydrophobicContact CG2-CD2 3.93Å; L544-L747 HydrophobicContact CD1-CD2 4.18Å; L544-L747 HydrophobicContact CD1-CG 4.21Å; L544-L747 HydrophobicContact CD2-CD1 4.48Å; L544-L747 HydrophobicContact CD2-CD2 3.89Å; L544-L747 HydrophobicContact CD2-CG 3.83Å; R743-L747 HydrophobicContact CG-CD1 4.3Å; R743-L747 WeakPolarHBondContact O-CB 3.43Å; R743-L747 VanDerWaalsContact O-CG 3.28Å; R743-L747 WeakPolarHBondContact O-CG 3.44Å; R743-L747 PolarHBondContact O-N 3.11Å; Q744-L747 PolarHBondContact O-N 3.24Å; L747-I750 PolarHBondContact O-N 3.13Å; L747-K751 WeakPolarHBondContact O-CG 3.28Å; L747-K751 PolarHBondContact O-N 3.43Å; L747-K751 VanDerWaalsContact O-N 3.08Å |
| 748 | F | 96.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.7 | -31.1 | 174.7 | -80.4 | -74.8 | 0 | 0 | 0 | 112.6 | Q744 L745 K751 R752 L861 Q864 E865 R868 | Q744-F748 VanDerWaalsContact O-CD2 3.24Å; Q744-F748 WeakPolarHBondContact O-CD2 3.34Å; Q744-F748 PolarHBondContact O-N 2.88Å; L745-F748 PolarHBondContact O-N 3.36Å; F748-K751 HydrophobicContact CD1-CD 4.09Å; F748-K751 HydrophobicContact CE1-CD 4.22Å; F748-K751 PolarHBondContact O-N 2.96Å; F748-R752 WeakPolarHBondContact O-CG 3.27Å; F748-R752 PolarHBondContact O-N 3.18Å; F748-L861 HydrophobicContact CD1-CD1 3.78Å; F748-L861 HydrophobicContact CD1-CG 4.38Å; F748-L861 HydrophobicContact CE1-CD1 3.88Å; F748-Q864 HydrophobicContact CE1-CB 4.13Å; F748-Q864 HydrophobicContact CE1-CG 3.96Å; F748-Q864 HydrophobicContact CZ-CB 4.45Å; F748-Q864 HydrophobicContact CZ-CG 3.94Å; F748-E865 HydrophobicContact CB-CB 4.39Å; F748-E865 HydrophobicContact CB-CG 3.99Å; F748-E865 HydrophobicContact CD1-CB 3.64Å; F748-E865 HydrophobicContact CD1-CG 4.16Å; F748-E865 HydrophobicContact CD2-CB 4.02Å; F748-E865 HydrophobicContact CD2-CG 3.84Å; F748-E865 HydrophobicContact CE1-CB 3.86Å; F748-E865 HydrophobicContact CE2-CB 4.25Å; F748-E865 HydrophobicContact CE2-CG 4.42Å; F748-E865 HydrophobicContact CG-CB 3.75Å; F748-E865 HydrophobicContact CG-CG 3.72Å; F748-E865 HydrophobicContact CZ-CB 4.17Å; F748-R868 HydrophobicContact CE2-CB 3.98Å; F748-R868 HydrophobicContact CE2-CG 4.23Å; F748-R868 HydrophobicContact CZ-CB 4.19Å; F748-R868 HydrophobicContact CZ-CG 4.01Å |
| 749 | M | 95.4 | Very high | 94.2 | Very high | 96 Ų | 96 | 53.3 Ų | 53.3 | 47% | 0.473 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 170.9 | 178.1 | 164.5 | 49.4 | 0 | 0 | 111.9 | L745 D746 K751 R752 E753 | L745-M749 WeakPolarHBondContact O-CB 3.24Å; L745-M749 PolarHBondContact O-N 2.95Å; D746-M749 HydrophobicContact CB-CE 4.31Å; D746-M749 WeakPolarHBondContact O-CB 3.32Å; D746-M749 PolarHBondContact O-N 2.99Å; D746-M749 VanDerWaalsContact OD1-CE 3.22Å; D746-M749 WeakPolarHBondContact OD1-CE 3.06Å; M749-K751 PolarHBondContact O-N 2.85Å; M749-R752 VanDerWaalsContact CA-NH2 3.35Å; M749-R752 PolarHBondContact O-N 2.94Å; M749-E753 PolarHBondContact O-N 3.33Å |
| 750 | I | 93.8 | Very high | 94.1 | Very high | 17 Ų | 17 | 57.1 Ų | 57.1 | 9% | 0.087 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.5 | -50.1 | 173.1 | -66.3 | 165 | 0 | 0 | 0 | 110 | Q540 L544 D746 L747 R752 E753 Q754 | Q540-I750 HydrophobicContact CB-CD1 3.9Å; Q540-I750 HydrophobicContact CB-CG1 4.34Å; Q540-I750 HydrophobicContact CB-CG2 4.27Å; L544-I750 HydrophobicContact CB-CD1 4.36Å; L544-I750 HydrophobicContact CD1-CD1 3.54Å; D746-I750 PolarHBondContact O-N 3.42Å; L747-I750 PolarHBondContact O-N 3.13Å; I750-R752 VanDerWaalsContact C-N 3.28Å; I750-R752 PolarHBondContact O-N 2.86Å; I750-E753 PolarHBondContact O-N 2.82Å; I750-E753 VanDerWaalsContact O-N 3.15Å; I750-Q754 HydrophobicContact CG2-CG 3.99Å; I750-Q754 WeakPolarHBondContact O-CB 3.5Å; I750-Q754 VanDerWaalsContact O-CG 3.25Å; I750-Q754 WeakPolarHBondContact O-CG 3.46Å; I750-Q754 PolarHBondContact O-N 3.43Å |
| 751 | K | 94.6 | Very high | 93.8 | Very high | 77 Ų | 77 | 57.8 Ų | 57.8 | 34% | 0.335 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.3 | -37.5 | 179 | -73 | 178.1 | 176.2 | 178.5 | 0 | 113.4 | L747 F748 M749 L755 L861 | L747-K751 WeakPolarHBondContact O-CG 3.28Å; L747-K751 PolarHBondContact O-N 3.43Å; L747-K751 VanDerWaalsContact O-N 3.08Å; F748-K751 HydrophobicContact CD1-CD 4.09Å; F748-K751 HydrophobicContact CE1-CD 4.22Å; F748-K751 PolarHBondContact O-N 2.96Å; M749-K751 PolarHBondContact O-N 2.85Å; K751-L755 VanDerWaalsContact O-CB 3.24Å; K751-L755 WeakPolarHBondContact O-CB 3.29Å; K751-L755 PolarHBondContact O-N 2.66Å; K751-L861 HydrophobicContact CB-CD1 3.96Å; K751-L861 HydrophobicContact CB-CD2 3.99Å; K751-L861 HydrophobicContact CD-CD1 3.84Å |
| 752 | R | 94.6 | Very high | 93.5 | Very high | 88 Ų | 88 | 56.3 Ų | 56.3 | 33% | 0.332 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.6 | -43.6 | 176.4 | -73.6 | -175.9 | -58.6 | -105.5 | 0.7 | 112.1 | F748 M749 I750 T756 L861 E865 | F748-R752 WeakPolarHBondContact O-CG 3.27Å; F748-R752 PolarHBondContact O-N 3.18Å; M749-R752 VanDerWaalsContact CA-NH2 3.35Å; M749-R752 PolarHBondContact O-N 2.94Å; I750-R752 VanDerWaalsContact C-N 3.28Å; I750-R752 PolarHBondContact O-N 2.86Å; R752-T756 WeakPolarHBondContact O-CB 3.35Å; R752-T756 PolarHBondContact O-N 3.23Å; R752-T756 PolarHBondContact O-OG1 2.79Å; R752-L861 HydrophobicContact CB-CD2 4.48Å; R752-L861 HydrophobicContact CG-CD2 3.75Å; R752-E865 IonicContact CZ-OE1 2.83Å; R752-E865 IonicContact CZ-OE2 3.82Å; R752-E865 IonicContact NH1-OE1 2.65Å; R752-E865 PolarHBondContact NH1-OE1 2.93Å; R752-E865 IonicContact NH1-OE2 3.89Å; R752-E865 PolarHBondContact NH1-OE2 3.43Å |
| 753 | E | 93.4 | Very high | 93.4 | Very high | 111 Ų | 111 | 55.9 Ų | 55.9 | 52% | 0.519 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.6 | -49.4 | 174.7 | -175.2 | -178.7 | -161.7 | 0 | 0 | 110.5 | Q540 M749 I750 L755 T756 G757 | Q540-E753 PolarHBondContact NE2-OE2 3.33Å; M749-E753 PolarHBondContact O-N 3.33Å; I750-E753 PolarHBondContact O-N 2.82Å; I750-E753 VanDerWaalsContact O-N 3.15Å; E753-L755 PolarHBondContact O-N 3.14Å; E753-T756 WeakPolarHBondContact O-CB 3.43Å; E753-T756 PolarHBondContact O-N 3.24Å; E753-G757 PolarHBondContact O-N 3.14Å |
| 754 | Q | 90.4 | Very high | 93.1 | Very high | 12 Ų | 12 | 55.8 Ų | 55.8 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67 | -38.1 | -179.1 | -62.1 | -62 | -17.4 | 0 | 0 | 112.8 | L533 E537 I750 T756 G757 R758 | L533-Q754 HydrophobicContact CD2-CB 4.38Å; E537-Q754 HydrophobicContact CB-CG 3.89Å; E537-Q754 HydrophobicContact CG-CG 4.04Å; I750-Q754 HydrophobicContact CG2-CG 3.99Å; I750-Q754 WeakPolarHBondContact O-CB 3.5Å; I750-Q754 VanDerWaalsContact O-CG 3.25Å; I750-Q754 WeakPolarHBondContact O-CG 3.46Å; I750-Q754 PolarHBondContact O-N 3.43Å; Q754-T756 VanDerWaalsContact C-N 3.33Å; Q754-G757 PolarHBondContact O-N 2.85Å; Q754-R758 WeakPolarHBondContact O-CB 3.49Å; Q754-R758 VanDerWaalsContact O-CG 3.23Å; Q754-R758 WeakPolarHBondContact O-CG 3.49Å; Q754-R758 PolarHBondContact O-N 2.96Å |
| 755 | L | 93.4 | Very high | 92.7 | Very high | 33 Ų | 33 | 57 Ų | 57 | 17% | 0.173 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 172.4 | 176.1 | 61 | 0 | 0 | 0 | 111.7 | K751 E753 R758 S759 K857 R858 L861 | K751-L755 VanDerWaalsContact O-CB 3.24Å; K751-L755 WeakPolarHBondContact O-CB 3.29Å; K751-L755 PolarHBondContact O-N 2.66Å; E753-L755 PolarHBondContact O-N 3.14Å; L755-R758 PolarHBondContact O-N 2.76Å; L755-S759 WeakPolarHBondContact O-CB 3.28Å; L755-S759 PolarHBondContact O-N 2.72Å; L755-S759 PolarHBondContact O-OG 3.18Å; L755-K857 HydrophobicContact CD1-CB 3.82Å; L755-K857 HydrophobicContact CD1-CD 4.05Å; L755-K857 HydrophobicContact CD1-CG 4.44Å; L755-K857 HydrophobicContact CD2-CB 4.14Å; L755-R858 HydrophobicContact CD2-CB 4.34Å; L755-L861 HydrophobicContact CD2-CD2 4.02Å |
| 756 | T | 92.9 | Very high | 92.4 | Very high | 68 Ų | 68 | 55.8 Ų | 55.8 | 42% | 0.417 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63 | -50.7 | 177.1 | -53.9 | 0 | 0 | 0 | 0 | 110.2 | R752 E753 Q754 R758 S759 E760 | R752-T756 WeakPolarHBondContact O-CB 3.35Å; R752-T756 PolarHBondContact O-N 3.23Å; R752-T756 PolarHBondContact O-OG1 2.79Å; E753-T756 WeakPolarHBondContact O-CB 3.43Å; E753-T756 PolarHBondContact O-N 3.24Å; Q754-T756 VanDerWaalsContact C-N 3.33Å; T756-R758 VanDerWaalsContact C-N 3.34Å; T756-R758 PolarHBondContact O-N 3.17Å; T756-S759 WeakPolarHBondContact O-CB 3.44Å; T756-S759 PolarHBondContact O-N 3.44Å; T756-S759 VanDerWaalsContact O-N 3.1Å; T756-E760 WeakPolarHBondContact O-CG 3.45Å; T756-E760 PolarHBondContact O-N 3.4Å |
| 757 | G | 92.1 | Very high | 92.2 | Very high | 18 Ų | 18 | 57.7 Ų | 57.7 | 19% | 0.186 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -36.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E753 Q754 E760 L761 | E753-G757 PolarHBondContact O-N 3.14Å; Q754-G757 PolarHBondContact O-N 2.85Å; G757-E760 PolarHBondContact O-N 3.36Å; G757-L761 WeakPolarHBondContact O-CG 3.48Å; G757-L761 PolarHBondContact O-N 2.81Å; G757-L761 VanDerWaalsContact O-N 3.09Å |
| 758 | R | 90.2 | Very high | 91.8 | Very high | 72 Ų | 72 | 60.6 Ų | 60.6 | 27% | 0.272 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 172.5 | -72.5 | 168.3 | -172 | -82.9 | 4.7 | 111.7 | L533 E537 Q754 L755 T756 L761 E762 | L533-R758 HydrophobicContact CD1-CG 4.2Å; L533-R758 HydrophobicContact CD2-CG 3.6Å; E537-R758 IonicContact OE2-CZ 3.56Å; E537-R758 IonicContact OE2-NE 2.87Å; E537-R758 IonicContact OE2-NH2 2.66Å; E537-R758 PolarHBondContact OE2-NH2 3.11Å; Q754-R758 WeakPolarHBondContact O-CB 3.49Å; Q754-R758 VanDerWaalsContact O-CG 3.23Å; Q754-R758 WeakPolarHBondContact O-CG 3.49Å; Q754-R758 PolarHBondContact O-N 2.96Å; L755-R758 PolarHBondContact O-N 2.76Å; T756-R758 VanDerWaalsContact C-N 3.34Å; T756-R758 PolarHBondContact O-N 3.17Å; R758-L761 PolarHBondContact O-N 3.24Å; R758-E762 WeakPolarHBondContact O-CG 3.3Å; R758-E762 PolarHBondContact O-N 3.03Å |
| 759 | S | 91.7 | Very high | 91.3 | Very high | 21 Ų | 21 | 62.6 Ų | 62.6 | 15% | 0.147 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.9 | -37.2 | 178.7 | -55 | 0 | 0 | 0 | 0 | 112.1 | L755 T756 E762 L763 | L755-S759 WeakPolarHBondContact O-CB 3.28Å; L755-S759 PolarHBondContact O-N 2.72Å; L755-S759 PolarHBondContact O-OG 3.18Å; T756-S759 WeakPolarHBondContact O-CB 3.44Å; T756-S759 PolarHBondContact O-N 3.44Å; T756-S759 VanDerWaalsContact O-N 3.1Å; S759-E762 PolarHBondContact O-N 3.22Å; S759-L763 VanDerWaalsContact O-CB 3.31Å; S759-L763 WeakPolarHBondContact O-CB 3.44Å; S759-L763 PolarHBondContact O-N 2.81Å |
| 760 | E | 92.1 | Very high | 91.1 | Very high | 121 Ų | 121 | 58.3 Ų | 58.3 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.1 | -38.2 | 173 | -72 | 177.7 | -177 | 0 | 0 | 112.5 | T756 G757 T764 | T756-E760 WeakPolarHBondContact O-CG 3.45Å; T756-E760 PolarHBondContact O-N 3.4Å; G757-E760 PolarHBondContact O-N 3.36Å; E760-T764 VanDerWaalsContact O-CB 3.29Å; E760-T764 WeakPolarHBondContact O-CB 3.36Å; E760-T764 PolarHBondContact O-N 2.9Å; E760-T764 PolarHBondContact O-OG1 3.19Å |
| 761 | L | 89.7 | Confident | 90.9 | Very high | 49 Ų | 49 | 61.8 Ų | 61.8 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.6 | -47.3 | 173.7 | -71.4 | 175.4 | 0 | 0 | 0 | 111.9 | A529 F530 L533 G757 R758 L763 T764 E765 | A529-L761 HydrophobicContact CB-CD1 4.02Å; A529-L761 HydrophobicContact CB-CD2 3.93Å; F530-L761 HydrophobicContact CD1-CD1 3.94Å; F530-L761 HydrophobicContact CE1-CB 3.86Å; F530-L761 HydrophobicContact CE1-CD1 4Å; F530-L761 HydrophobicContact CG-CD1 4.41Å; F530-L761 HydrophobicContact CZ-CB 3.8Å; L533-L761 HydrophobicContact CD1-CD1 3.89Å; G757-L761 WeakPolarHBondContact O-CG 3.48Å; G757-L761 PolarHBondContact O-N 2.81Å; G757-L761 VanDerWaalsContact O-N 3.09Å; R758-L761 PolarHBondContact O-N 3.24Å; L761-L763 VanDerWaalsContact C-N 3.33Å; L761-L763 PolarHBondContact O-N 3.46Å; L761-T764 PolarHBondContact O-N 3.47Å; L761-T764 VanDerWaalsContact O-N 3.13Å; L761-E765 PolarHBondContact O-N 3.28Å |
| 762 | E | 89.8 | Confident | 90.5 | Very high | 53 Ų | 53 | 59.7 Ų | 59.7 | 25% | 0.248 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.6 | -46.5 | 175.1 | -72.4 | 173.4 | -176.8 | 0 | 0 | 110.9 | F530 R758 S759 T764 E765 L766 L850 K857 | F530-E762 HydrophobicContact CZ-CG 4.21Å; R758-E762 WeakPolarHBondContact O-CG 3.3Å; R758-E762 PolarHBondContact O-N 3.03Å; S759-E762 PolarHBondContact O-N 3.22Å; E762-T764 VanDerWaalsContact C-N 3.35Å; E762-T764 PolarHBondContact O-N 2.96Å; E762-E765 PolarHBondContact O-N 2.85Å; E762-L766 WeakPolarHBondContact O-CB 3.38Å; E762-L766 PolarHBondContact O-N 3.33Å; E762-L850 HydrophobicContact CB-CD1 4.05Å; E762-K857 IonicContact OE1-NZ 2.68Å; E762-K857 PolarHBondContact OE1-NZ 2.9Å; E762-K857 IonicContact OE2-NZ 3.97Å; E762-K857 PolarHBondContact OE2-NZ 2.7Å |
| 763 | L | 92.5 | Very high | 90.2 | Very high | 60 Ų | 60 | 58.1 Ų | 58.1 | 31% | 0.314 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 176.9 | -179.1 | 62 | 0 | 0 | 0 | 112.7 | S759 L761 K767 L847 L850 | S759-L763 VanDerWaalsContact O-CB 3.31Å; S759-L763 WeakPolarHBondContact O-CB 3.44Å; S759-L763 PolarHBondContact O-N 2.81Å; L761-L763 VanDerWaalsContact C-N 3.33Å; L761-L763 PolarHBondContact O-N 3.46Å; L763-K767 HydrophobicContact CD1-CD 4.42Å; L763-K767 HydrophobicContact CG-CD 4.22Å; L763-K767 WeakPolarHBondContact O-CB 3.41Å; L763-K767 VanDerWaalsContact O-CG 3.23Å; L763-K767 WeakPolarHBondContact O-CG 3.42Å; L763-K767 PolarHBondContact O-N 3.07Å; L763-L847 HydrophobicContact CD1-CD2 4.03Å; L763-L850 HydrophobicContact CB-CD2 4.11Å; L763-L850 HydrophobicContact CD1-CD2 4.09Å |
| 764 | T | 89.8 | Confident | 90.1 | Very high | 69 Ų | 69 | 56.8 Ų | 56.8 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.5 | -40.9 | 177.8 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | E760 L761 E762 K767 Q768 | E760-T764 VanDerWaalsContact O-CB 3.29Å; E760-T764 WeakPolarHBondContact O-CB 3.36Å; E760-T764 PolarHBondContact O-N 2.9Å; E760-T764 PolarHBondContact O-OG1 3.19Å; L761-T764 PolarHBondContact O-N 3.47Å; L761-T764 VanDerWaalsContact O-N 3.13Å; E762-T764 VanDerWaalsContact C-N 3.35Å; E762-T764 PolarHBondContact O-N 2.96Å; T764-K767 PolarHBondContact O-N 3.46Å; T764-Q768 WeakPolarHBondContact O-CG 3.43Å; T764-Q768 PolarHBondContact O-N 2.87Å |
| 765 | E | 87 | Confident | 90.1 | Very high | 76 Ų | 76 | 59.5 Ų | 59.5 | 36% | 0.355 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 174 | -176.9 | 164.1 | -158.5 | 0 | 0 | 110.9 | L761 E762 K767 Q768 T769 | L761-E765 PolarHBondContact O-N 3.28Å; E762-E765 PolarHBondContact O-N 2.85Å; E765-K767 PolarHBondContact O-N 2.96Å; E765-Q768 WeakPolarHBondContact O-CB 3.31Å; E765-Q768 PolarHBondContact O-N 3.42Å; E765-T769 PolarHBondContact O-N 3.26Å; E765-T769 PolarHBondContact O-OG1 3.34Å |
| 766 | L | 89.2 | Confident | 89.8 | Confident | 29 Ų | 29 | 62.8 Ų | 62.8 | 15% | 0.152 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 176.2 | -178.7 | 57.8 | 0 | 0 | 0 | 111.8 | E762 Q768 T769 I770 R846 L847 L850 | E762-L766 WeakPolarHBondContact O-CB 3.38Å; E762-L766 PolarHBondContact O-N 3.33Å; L766-Q768 VanDerWaalsContact C-N 3.31Å; L766-Q768 PolarHBondContact O-N 2.67Å; L766-T769 PolarHBondContact O-N 3.5Å; L766-I770 HydrophobicContact CD1-CD1 4.1Å; L766-I770 HydrophobicContact CD1-CG1 4.21Å; L766-I770 HydrophobicContact CG-CD1 3.79Å; L766-I770 HydrophobicContact CG-CG1 4.39Å; L766-I770 WeakPolarHBondContact O-CB 3.49Å; L766-I770 WeakPolarHBondContact O-CD1 3.23Å; L766-I770 WeakPolarHBondContact O-CG1 3.36Å; L766-I770 PolarHBondContact O-N 3.15Å; L766-R846 HydrophobicContact CD1-CB 4.38Å; L766-R846 HydrophobicContact CD2-CB 4.47Å; L766-L847 HydrophobicContact CD2-CD2 3.88Å; L766-L847 HydrophobicContact CD2-CG 4.4Å; L766-L847 HydrophobicContact CG-CD2 4.45Å; L766-L850 HydrophobicContact CB-CD2 4.36Å; L766-L850 HydrophobicContact CD2-CB 4.19Å; L766-L850 HydrophobicContact CD2-CD2 3.7Å |
| 767 | K | 91.8 | Very high | 89.8 | Confident | 108 Ų | 108 | 60.9 Ų | 60.9 | 47% | 0.47 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.7 | -37 | 174.2 | -77.8 | 171 | 180 | 172.3 | 0 | 113 | L763 T764 E765 N771 | L763-K767 HydrophobicContact CD1-CD 4.42Å; L763-K767 HydrophobicContact CG-CD 4.22Å; L763-K767 WeakPolarHBondContact O-CB 3.41Å; L763-K767 VanDerWaalsContact O-CG 3.23Å; L763-K767 WeakPolarHBondContact O-CG 3.42Å; L763-K767 PolarHBondContact O-N 3.07Å; T764-K767 PolarHBondContact O-N 3.46Å; E765-K767 PolarHBondContact O-N 2.96Å; K767-N771 WeakPolarHBondContact O-CB 3.49Å; K767-N771 VanDerWaalsContact O-CG 3.23Å; K767-N771 PolarHBondContact O-N 2.93Å; K767-N771 VanDerWaalsContact O-N 3.09Å; K767-N771 PolarHBondContact O-ND2 3.17Å |
| 768 | Q | 87.2 | Confident | 89.8 | Confident | 90 Ų | 90 | 66 Ų | 66 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.3 | -44.1 | 174.8 | -72.8 | 178.2 | 33 | 0 | 0 | 111.5 | T764 E765 L766 N771 M772 | T764-Q768 WeakPolarHBondContact O-CG 3.43Å; T764-Q768 PolarHBondContact O-N 2.87Å; E765-Q768 WeakPolarHBondContact O-CB 3.31Å; E765-Q768 PolarHBondContact O-N 3.42Å; L766-Q768 VanDerWaalsContact C-N 3.31Å; L766-Q768 PolarHBondContact O-N 2.67Å; Q768-N771 PolarHBondContact O-N 2.75Å; Q768-M772 WeakPolarHBondContact O-CG 3.23Å; Q768-M772 PolarHBondContact O-N 3.17Å |
| 769 | T | 85.8 | Confident | 89.7 | Confident | 46 Ų | 46 | 64.9 Ų | 64.9 | 28% | 0.282 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.3 | -48.9 | 176.1 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | E765 L766 N771 M772 E773 | E765-T769 PolarHBondContact O-N 3.26Å; E765-T769 PolarHBondContact O-OG1 3.34Å; L766-T769 PolarHBondContact O-N 3.5Å; T769-N771 VanDerWaalsContact C-N 3.32Å; T769-N771 PolarHBondContact O-N 3.23Å; T769-M772 PolarHBondContact O-N 3.12Å; T769-E773 WeakPolarHBondContact CG2-OE1 3.25Å; T769-E773 WeakPolarHBondContact O-CG 3.35Å; T769-E773 PolarHBondContact O-N 3.34Å |
| 770 | I | 91.6 | Very high | 89.5 | Confident | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -53.8 | -47.2 | 174.5 | -68.7 | 163.8 | 0 | 0 | 0 | 111.3 | L766 M772 E773 R774 I843 L847 | L766-I770 HydrophobicContact CD1-CD1 4.1Å; L766-I770 HydrophobicContact CD1-CG1 4.21Å; L766-I770 HydrophobicContact CG-CD1 3.79Å; L766-I770 HydrophobicContact CG-CG1 4.39Å; L766-I770 WeakPolarHBondContact O-CB 3.49Å; L766-I770 WeakPolarHBondContact O-CD1 3.23Å; L766-I770 WeakPolarHBondContact O-CG1 3.36Å; L766-I770 PolarHBondContact O-N 3.15Å; I770-M772 VanDerWaalsContact C-N 3.33Å; I770-M772 PolarHBondContact O-N 3.26Å; I770-E773 PolarHBondContact O-N 2.67Å; I770-R774 WeakPolarHBondContact O-CB 3.35Å; I770-R774 WeakPolarHBondContact O-CG 3.4Å; I770-R774 PolarHBondContact O-N 3.15Å; I770-I843 HydrophobicContact CD1-CG2 3.78Å; I770-I843 HydrophobicContact CG1-CG1 4.15Å; I770-I843 HydrophobicContact CG1-CG2 4.04Å; I770-I843 HydrophobicContact CG2-CD1 3.76Å; I770-I843 HydrophobicContact CG2-CG1 4.03Å; I770-I843 HydrophobicContact CG2-CG2 3.96Å; I770-L847 HydrophobicContact CD1-CD1 4.3Å; I770-L847 HydrophobicContact CD1-CD2 4.12Å; I770-L847 HydrophobicContact CD1-CG 4.16Å |
| 771 | N | 90.2 | Very high | 89.6 | Confident | 91 Ų | 91 | 62.8 Ų | 62.8 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.2 | -34.3 | 179.2 | -73.8 | -20.8 | 0 | 0 | 0 | 112.5 | K767 Q768 T769 S775 | K767-N771 WeakPolarHBondContact O-CB 3.49Å; K767-N771 VanDerWaalsContact O-CG 3.23Å; K767-N771 PolarHBondContact O-N 2.93Å; K767-N771 VanDerWaalsContact O-N 3.09Å; K767-N771 PolarHBondContact O-ND2 3.17Å; Q768-N771 PolarHBondContact O-N 2.75Å; T769-N771 VanDerWaalsContact C-N 3.32Å; T769-N771 PolarHBondContact O-N 3.23Å; N771-S775 WeakPolarHBondContact O-CB 3.16Å; N771-S775 PolarHBondContact O-N 3.27Å; N771-S775 VanDerWaalsContact O-N 3.1Å; N771-S775 PolarHBondContact O-OG 3.44Å |
| 772 | M | 85.4 | Confident | 89.6 | Confident | 33 Ų | 33 | 63.2 Ų | 63.2 | 16% | 0.163 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.7 | -43.4 | 174.2 | -69.4 | -172.1 | -56.2 | 0 | 0 | 111.9 | F515 K522 Q768 T769 I770 S775 K776 | F515-M772 HydrophobicContact CZ-SD 4.25Å; K522-M772 HydrophobicContact CD-SD 4.35Å; K522-M772 PolarHBondContact NZ-SD 3.49Å; K522-M772 VanDerWaalsContact NZ-SD 3.37Å; Q768-M772 WeakPolarHBondContact O-CG 3.23Å; Q768-M772 PolarHBondContact O-N 3.17Å; T769-M772 PolarHBondContact O-N 3.12Å; I770-M772 VanDerWaalsContact C-N 3.33Å; I770-M772 PolarHBondContact O-N 3.26Å; M772-S775 PolarHBondContact O-N 3.04Å; M772-K776 WeakPolarHBondContact O-CB 3.37Å; M772-K776 WeakPolarHBondContact O-CG 3.28Å; M772-K776 PolarHBondContact O-N 3.29Å |
| 773 | E | 87.5 | Confident | 89.6 | Confident | 54 Ų | 54 | 65.2 Ų | 65.2 | 25% | 0.252 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 176.6 | -72 | 171.2 | -171.5 | 0 | 0 | 111.8 | T769 I770 S775 K776 L777 L839 R846 | T769-E773 WeakPolarHBondContact CG2-OE1 3.25Å; T769-E773 WeakPolarHBondContact O-CG 3.35Å; T769-E773 PolarHBondContact O-N 3.34Å; I770-E773 PolarHBondContact O-N 2.67Å; E773-S775 VanDerWaalsContact C-N 3.31Å; E773-S775 PolarHBondContact O-N 2.95Å; E773-K776 PolarHBondContact O-N 2.8Å; E773-L777 PolarHBondContact O-N 3.31Å; E773-L839 HydrophobicContact CB-CD1 4.2Å; E773-L839 HydrophobicContact CB-CD2 4.42Å; E773-R846 VanDerWaalsContact CD-NH1 3.34Å; E773-R846 IonicContact OE1-CZ 3.06Å; E773-R846 IonicContact OE1-NH1 2.88Å; E773-R846 PolarHBondContact OE1-NH1 3.25Å; E773-R846 IonicContact OE1-NH2 2.6Å; E773-R846 IonicContact OE2-CZ 2.82Å; E773-R846 IonicContact OE2-NH1 3.14Å; E773-R846 PolarHBondContact OE2-NH1 3.07Å; E773-R846 IonicContact OE2-NH2 2.66Å; E773-R846 PolarHBondContact OE2-NH2 3.13Å |
| 774 | R | 92.8 | Very high | 89.4 | Confident | 84 Ų | 84 | 64.4 Ų | 64.4 | 32% | 0.317 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.7 | -45.2 | 173.5 | -76.3 | 174.3 | 169 | 161.4 | -1.8 | 111.8 | I770 L777 Q778 L839 E840 I843 | I770-R774 WeakPolarHBondContact O-CB 3.35Å; I770-R774 WeakPolarHBondContact O-CG 3.4Å; I770-R774 PolarHBondContact O-N 3.15Å; R774-L777 PolarHBondContact O-N 3.07Å; R774-Q778 WeakPolarHBondContact O-CB 3.47Å; R774-Q778 VanDerWaalsContact O-CG 3.27Å; R774-Q778 WeakPolarHBondContact O-CG 3.36Å; R774-Q778 PolarHBondContact O-N 3.06Å; R774-L839 HydrophobicContact CG-CD2 4.27Å; R774-E840 IonicContact CZ-OE1 2.67Å; R774-E840 VanDerWaalsContact CZ-OE1 3.27Å; R774-E840 IonicContact CZ-OE2 3.81Å; R774-E840 IonicContact NE-OE1 3.98Å; R774-E840 PolarHBondContact NE-OE1 2.67Å; R774-E840 IonicContact NE-OE2 3.22Å; R774-E840 VanDerWaalsContact NH2-CD 3.26Å; R774-E840 IonicContact NH2-OE1 3Å; R774-E840 PolarHBondContact NH2-OE1 2.9Å; R774-E840 IonicContact NH2-OE2 2.75Å; R774-E840 PolarHBondContact NH2-OE2 2.87Å; R774-I843 HydrophobicContact CG-CD1 4.19Å |
| 775 | S | 89.4 | Confident | 89.4 | Confident | 69 Ų | 69 | 66.2 Ų | 66.2 | 48% | 0.483 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 178.1 | -58 | 0 | 0 | 0 | 0 | 112.4 | N771 M772 E773 A779 | N771-S775 WeakPolarHBondContact O-CB 3.16Å; N771-S775 PolarHBondContact O-N 3.27Å; N771-S775 VanDerWaalsContact O-N 3.1Å; N771-S775 PolarHBondContact O-OG 3.44Å; M772-S775 PolarHBondContact O-N 3.04Å; E773-S775 VanDerWaalsContact C-N 3.31Å; E773-S775 PolarHBondContact O-N 2.95Å; S775-A779 WeakPolarHBondContact O-CB 3.4Å; S775-A779 PolarHBondContact O-N 2.96Å |
| 776 | K | 87.4 | Confident | 89.6 | Confident | 101 Ų | 101 | 68.8 Ų | 68.8 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 175.2 | -77.5 | 177.5 | 178.5 | -178.8 | 0 | 111 | M772 E773 Q778 A779 I780 | M772-K776 WeakPolarHBondContact O-CB 3.37Å; M772-K776 WeakPolarHBondContact O-CG 3.28Å; M772-K776 PolarHBondContact O-N 3.29Å; E773-K776 PolarHBondContact O-N 2.8Å; K776-Q778 PolarHBondContact O-N 3.38Å; K776-A779 WeakPolarHBondContact O-CB 3.45Å; K776-A779 PolarHBondContact O-N 3.39Å; K776-I780 WeakPolarHBondContact O-CG1 3.47Å; K776-I780 PolarHBondContact O-N 3.13Å |
| 777 | L | 92.5 | Very high | 89.5 | Confident | 28 Ų | 28 | 71.5 Ų | 71.5 | 15% | 0.147 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 179.2 | -173.2 | 63.2 | 0 | 0 | 0 | 111.4 | E773 R774 A779 I780 H781 Q835 L839 | E773-L777 PolarHBondContact O-N 3.31Å; R774-L777 PolarHBondContact O-N 3.07Å; L777-A779 VanDerWaalsContact C-N 3.3Å; L777-A779 PolarHBondContact O-N 2.88Å; L777-I780 PolarHBondContact O-N 2.89Å; L777-H781 WeakPolarHBondContact CD1-NE2 3.39Å; L777-H781 WeakPolarHBondContact O-CB 3.08Å; L777-H781 VanDerWaalsContact O-CG 3.27Å; L777-H781 PolarHBondContact O-N 3Å; L777-Q835 HydrophobicContact CD1-CB 4.32Å; L777-L839 HydrophobicContact CB-CD2 4.16Å; L777-L839 HydrophobicContact CD2-CB 4.15Å; L777-L839 HydrophobicContact CD2-CD2 3.66Å |
| 778 | Q | 92.2 | Very high | 89.3 | Confident | 125 Ų | 125 | 67.7 Ų | 67.7 | 58% | 0.584 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60 | -37.3 | 174 | -73.5 | 173.7 | -0.6 | 0 | 0 | 112.9 | R774 K776 S782 | R774-Q778 WeakPolarHBondContact O-CB 3.47Å; R774-Q778 VanDerWaalsContact O-CG 3.27Å; R774-Q778 WeakPolarHBondContact O-CG 3.36Å; R774-Q778 PolarHBondContact O-N 3.06Å; K776-Q778 PolarHBondContact O-N 3.38Å; Q778-S782 WeakPolarHBondContact O-CB 3.31Å; Q778-S782 PolarHBondContact O-N 3.14Å; Q778-S782 PolarHBondContact O-OG 2.94Å |
| 779 | A | 87.4 | Confident | 89.3 | Confident | 49 Ų | 49 | 66.7 Ų | 66.7 | 41% | 0.405 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S775 K776 L777 S782 I783 | S775-A779 WeakPolarHBondContact O-CB 3.4Å; S775-A779 PolarHBondContact O-N 2.96Å; K776-A779 WeakPolarHBondContact O-CB 3.45Å; K776-A779 PolarHBondContact O-N 3.39Å; L777-A779 VanDerWaalsContact C-N 3.3Å; L777-A779 PolarHBondContact O-N 2.88Å; A779-S782 WeakPolarHBondContact O-CB 3.28Å; A779-S782 PolarHBondContact O-N 3.37Å; A779-I783 WeakPolarHBondContact O-CG1 3.23Å; A779-I783 PolarHBondContact O-N 3.32Å |
| 780 | I | 88.5 | Confident | 89.4 | Confident | 87 Ų | 87 | 71.1 Ų | 71.1 | 45% | 0.446 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.7 | -51.2 | 173.9 | -68.2 | 165.2 | 0 | 0 | 0 | 109.9 | K776 L777 S782 I783 E784 | K776-I780 WeakPolarHBondContact O-CG1 3.47Å; K776-I780 PolarHBondContact O-N 3.13Å; L777-I780 PolarHBondContact O-N 2.89Å; I780-S782 VanDerWaalsContact C-N 3.26Å; I780-S782 PolarHBondContact O-N 2.74Å; I780-I783 PolarHBondContact O-N 2.8Å; I780-E784 HydrophobicContact CG2-CG 4.3Å; I780-E784 PolarHBondContact O-N 3.42Å |
| 781 | H | 93.8 | Very high | 89 | Confident | 12 Ų | 12 | 73.9 Ų | 73.9 | 6% | 0.056 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -56.4 | -40.1 | 178.1 | -73.4 | -178.4 | 0 | 0 | 0 | 112.7 | L777 E784 R785 Q832 Q835 T836 | L777-H781 WeakPolarHBondContact CD1-NE2 3.39Å; L777-H781 WeakPolarHBondContact O-CB 3.08Å; L777-H781 VanDerWaalsContact O-CG 3.27Å; L777-H781 PolarHBondContact O-N 3Å; H781-E784 IonicContact CD2-OE2 2.98Å; H781-R785 WeakPolarHBondContact O-CG 3.34Å; H781-R785 PolarHBondContact O-N 2.84Å; H781-Q832 VanDerWaalsContact CA-NE2 3.28Å; H781-Q832 HydrophobicContact CB-CG 4.4Å; H781-Q832 VanDerWaalsContact CD2-CG 3.48Å; H781-Q832 WeakPolarHBondContact CD2-CG 3.23Å; H781-Q832 PolarHBondContact CE1-O 3.16Å; H781-Q832 VanDerWaalsContact CE1-O 3.23Å; H781-Q832 PolarHBondContact O-NE2 2.76Å; H781-Q832 VanDerWaalsContact O-NE2 3.09Å; H781-Q835 PolarHBondContact CD2-OE1 2.85Å; H781-Q835 PolarHBondContact NE2-OE1 2.98Å; H781-T836 PolarHBondContact CE1-OG1 3.48Å |
| 782 | S | 90.6 | Very high | 88.6 | Confident | 57 Ų | 57 | 70.1 Ų | 70.1 | 40% | 0.399 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.4 | -34.6 | 176.3 | -64.2 | 0 | 0 | 0 | 0 | 113 | Q778 A779 I780 K786 | Q778-S782 WeakPolarHBondContact O-CB 3.31Å; Q778-S782 PolarHBondContact O-N 3.14Å; Q778-S782 PolarHBondContact O-OG 2.94Å; A779-S782 WeakPolarHBondContact O-CB 3.28Å; A779-S782 PolarHBondContact O-N 3.37Å; I780-S782 VanDerWaalsContact C-N 3.26Å; I780-S782 PolarHBondContact O-N 2.74Å; S782-K786 WeakPolarHBondContact O-CB 3.46Å; S782-K786 VanDerWaalsContact O-CD 3.32Å; S782-K786 WeakPolarHBondContact O-CD 3.41Å; S782-K786 WeakPolarHBondContact O-CG 3.38Å; S782-K786 PolarHBondContact O-N 3.04Å |
| 783 | I | 88.5 | Confident | 88.5 | Confident | 96 Ų | 96 | 75.1 Ų | 75.1 | 49% | 0.492 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -74.7 | -46 | 176.1 | -68.1 | 165 | 0 | 0 | 0 | 110.2 | A779 I780 R785 K786 N787 | A779-I783 WeakPolarHBondContact O-CG1 3.23Å; A779-I783 PolarHBondContact O-N 3.32Å; I780-I783 PolarHBondContact O-N 2.8Å; I783-R785 PolarHBondContact O-N 3.21Å; I783-K786 PolarHBondContact O-N 3.42Å; I783-N787 WeakPolarHBondContact O-CB 3.41Å; I783-N787 PolarHBondContact O-N 3.11Å |
| 784 | E | 89.7 | Confident | 88.2 | Confident | 43 Ų | 43 | 74.6 Ų | 74.6 | 20% | 0.201 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -55.8 | -50.8 | 175.8 | -74.8 | -172.2 | 138.2 | 0 | 0 | 111.6 | I780 H781 K786 N787 C788 L828 K831 Q832 | I780-E784 HydrophobicContact CG2-CG 4.3Å; I780-E784 PolarHBondContact O-N 3.42Å; H781-E784 IonicContact CD2-OE2 2.98Å; E784-K786 VanDerWaalsContact C-N 3.33Å; E784-K786 PolarHBondContact O-N 2.89Å; E784-N787 PolarHBondContact O-N 3.15Å; E784-N787 VanDerWaalsContact O-N 3.13Å; E784-C788 VanDerWaalsContact O-CB 3.28Å; E784-C788 WeakPolarHBondContact O-CB 3.45Å; E784-C788 PolarHBondContact O-N 3.35Å; E784-L828 HydrophobicContact CB-CD1 4.32Å; E784-K831 IonicContact OE1-NZ 3.93Å; E784-K831 PolarHBondContact OE1-NZ 2.89Å; E784-Q832 PolarHBondContact OE2-NE2 2.68Å |
| 785 | R | 90.1 | Very high | 87.7 | Confident | 106 Ų | 106 | 74.2 Ų | 74.2 | 40% | 0.4 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58 | -44.5 | 176.9 | -72.3 | -178.1 | -151.1 | -166.6 | 7 | 111.8 | H781 I783 N787 I789 L828 Q832 | H781-R785 WeakPolarHBondContact O-CG 3.34Å; H781-R785 PolarHBondContact O-N 2.84Å; I783-R785 PolarHBondContact O-N 3.21Å; R785-N787 VanDerWaalsContact C-N 3.33Å; R785-N787 PolarHBondContact O-N 3.28Å; R785-I789 WeakPolarHBondContact O-CB 3.39Å; R785-I789 WeakPolarHBondContact O-CD1 3.01Å; R785-I789 VanDerWaalsContact O-CG1 3.23Å; R785-I789 WeakPolarHBondContact O-CG1 3.36Å; R785-I789 PolarHBondContact O-N 3.41Å; R785-L828 HydrophobicContact CB-CD2 4.44Å; R785-L828 HydrophobicContact CG-CD2 3.91Å; R785-Q832 VanDerWaalsContact CZ-OE1 3.25Å |
| 786 | K | 90 | Very high | 87.1 | Confident | 131 Ų | 131 | 73.3 Ų | 73.3 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.9 | -40 | 177.1 | -74.9 | 169.3 | -172 | 172.5 | 0 | 111.9 | S782 I783 E784 K790 | S782-K786 WeakPolarHBondContact O-CB 3.46Å; S782-K786 VanDerWaalsContact O-CD 3.32Å; S782-K786 WeakPolarHBondContact O-CD 3.41Å; S782-K786 WeakPolarHBondContact O-CG 3.38Å; S782-K786 PolarHBondContact O-N 3.04Å; I783-K786 PolarHBondContact O-N 3.42Å; E784-K786 VanDerWaalsContact C-N 3.33Å; E784-K786 PolarHBondContact O-N 2.89Å; K786-K790 WeakPolarHBondContact O-CB 3.3Å; K786-K790 WeakPolarHBondContact O-CD 3.43Å; K786-K790 WeakPolarHBondContact O-CG 3.28Å; K786-K790 PolarHBondContact O-N 3.46Å; K786-K790 VanDerWaalsContact O-N 3.11Å |
| 787 | N | 87.8 | Confident | 86.7 | Confident | 86 Ų | 86 | 75.5 Ų | 75.5 | 46% | 0.46 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -74.9 | -41.1 | -179.3 | -71.8 | -11.3 | 0 | 0 | 0 | 112.2 | I783 E784 R785 K790 S791 | I783-N787 WeakPolarHBondContact O-CB 3.41Å; I783-N787 PolarHBondContact O-N 3.11Å; E784-N787 PolarHBondContact O-N 3.15Å; E784-N787 VanDerWaalsContact O-N 3.13Å; R785-N787 VanDerWaalsContact C-N 3.33Å; R785-N787 PolarHBondContact O-N 3.28Å; N787-K790 PolarHBondContact O-N 2.83Å; N787-S791 WeakPolarHBondContact O-CB 3.43Å; N787-S791 PolarHBondContact O-N 3.45Å |
| 788 | C | 86.7 | Confident | 86 | Confident | 28 Ų | 28 | 81 Ų | 81 | 19% | 0.189 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -56.9 | -56.7 | 171.9 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | E784 K790 S791 M792 L828 | E784-C788 VanDerWaalsContact O-CB 3.28Å; E784-C788 WeakPolarHBondContact O-CB 3.45Å; E784-C788 PolarHBondContact O-N 3.35Å; C788-K790 VanDerWaalsContact C-N 3.28Å; C788-K790 PolarHBondContact O-N 2.89Å; C788-S791 WeakPolarHBondContact O-CA 3.46Å; C788-S791 WeakPolarHBondContact O-CB 3.48Å; C788-S791 PolarHBondContact O-N 2.94Å; C788-M792 VanDerWaalsContact O-CG 3.23Å; C788-M792 WeakPolarHBondContact O-CG 3.31Å; C788-M792 PolarHBondContact O-N 3.45Å; C788-L828 HydrophobicContact CB-CD2 3.66Å |
| 789 | I | 87.3 | Confident | 85.1 | Confident | 68 Ų | 68 | 77 Ų | 77 | 35% | 0.349 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.6 | -37.9 | 178.4 | -67.2 | 166.3 | 0 | 0 | 0 | 112.1 | R785 K793 | R785-I789 WeakPolarHBondContact O-CB 3.39Å; R785-I789 WeakPolarHBondContact O-CD1 3.01Å; R785-I789 VanDerWaalsContact O-CG1 3.23Å; R785-I789 WeakPolarHBondContact O-CG1 3.36Å; R785-I789 PolarHBondContact O-N 3.41Å; I789-K793 HydrophobicContact CG2-CD 3.98Å; I789-K793 VanDerWaalsContact O-CB 3.31Å; I789-K793 WeakPolarHBondContact O-CB 3.27Å; I789-K793 VanDerWaalsContact O-CG 3.23Å; I789-K793 WeakPolarHBondContact O-CG 3.27Å; I789-K793 PolarHBondContact O-N 2.78Å |
| 790 | K | 87.8 | Confident | 84.4 | Confident | 139 Ų | 139 | 77 Ų | 77 | 60% | 0.604 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.1 | -45.9 | 173.5 | -77.6 | 169 | -175.7 | 175.6 | 0 | 111.8 | K786 N787 C788 K793 S794 | K786-K790 WeakPolarHBondContact O-CB 3.3Å; K786-K790 WeakPolarHBondContact O-CD 3.43Å; K786-K790 WeakPolarHBondContact O-CG 3.28Å; K786-K790 PolarHBondContact O-N 3.46Å; K786-K790 VanDerWaalsContact O-N 3.11Å; N787-K790 PolarHBondContact O-N 2.83Å; C788-K790 VanDerWaalsContact C-N 3.28Å; C788-K790 PolarHBondContact O-N 2.89Å; K790-K793 PolarHBondContact O-N 3.17Å; K790-S794 WeakPolarHBondContact O-CB 3.46Å; K790-S794 PolarHBondContact O-N 3.41Å |
| 791 | S | 82.9 | Confident | 83.7 | Confident | 65 Ų | 65 | 77.1 Ų | 77.1 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.5 | -53.2 | 178.9 | -170.8 | 0 | 0 | 0 | 0 | 110.7 | N787 C788 K793 S794 V795 | N787-S791 WeakPolarHBondContact O-CB 3.43Å; N787-S791 PolarHBondContact O-N 3.45Å; C788-S791 WeakPolarHBondContact O-CA 3.46Å; C788-S791 WeakPolarHBondContact O-CB 3.48Å; C788-S791 PolarHBondContact O-N 2.94Å; S791-K793 PolarHBondContact O-N 3.16Å; S791-S794 CarbonylContact O-C 3.5Å; S791-S794 WeakPolarHBondContact O-CA 3.4Å; S791-S794 WeakPolarHBondContact O-CB 3.42Å; S791-S794 PolarHBondContact O-N 3.48Å; S791-S794 PolarHBondContact O-OG 3.41Å; S791-V795 WeakPolarHBondContact O-CG2 3.49Å; S791-V795 PolarHBondContact O-N 3.21Å |
| 792 | M | 82.9 | Confident | 82.7 | Confident | 11 Ų | 11 | 79.9 Ų | 79.9 | 5% | 0.054 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -52.1 | -51.8 | 175.2 | -66.1 | 161.1 | 139.2 | 0 | 0 | 112.1 | C788 S794 V795 H796 M821 E824 L825 | C788-M792 VanDerWaalsContact O-CG 3.23Å; C788-M792 WeakPolarHBondContact O-CG 3.31Å; C788-M792 PolarHBondContact O-N 3.45Å; M792-S794 PolarHBondContact O-N 3.45Å; M792-V795 PolarHBondContact O-N 3.16Å; M792-V795 VanDerWaalsContact O-N 3.14Å; M792-H796 VanDerWaalsContact O-CB 3.31Å; M792-H796 WeakPolarHBondContact O-CB 3.34Å; M792-H796 PolarHBondContact O-N 2.87Å; M792-M821 HydrophobicContact CB-CG 4.05Å; M792-M821 HydrophobicContact CB-SD 4.14Å; M792-M821 HydrophobicContact CE-CG 3.83Å; M792-M821 WeakPolarHBondContact CE-O 3.3Å; M792-M821 HydrophobicContact CG-CG 4.15Å; M792-M821 HydrophobicContact SD-CG 3.92Å; M792-E824 HydrophobicContact CE-CB 3.37Å; M792-E824 WeakPolarHBondContact CG-OE2 3.21Å; M792-L825 HydrophobicContact CE-CB 4.09Å |
| 793 | K | 83.4 | Confident | 81.7 | Confident | 139 Ų | 139 | 78.2 Ų | 78.2 | 60% | 0.604 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.1 | -34.7 | 177.2 | -75.9 | 175.6 | 178.8 | 179.6 | 0 | 112.2 | I789 K790 S791 K797 | I789-K793 HydrophobicContact CG2-CD 3.98Å; I789-K793 VanDerWaalsContact O-CB 3.31Å; I789-K793 WeakPolarHBondContact O-CB 3.27Å; I789-K793 VanDerWaalsContact O-CG 3.23Å; I789-K793 WeakPolarHBondContact O-CG 3.27Å; I789-K793 PolarHBondContact O-N 2.78Å; K790-K793 PolarHBondContact O-N 3.17Å; S791-K793 PolarHBondContact O-N 3.16Å; K793-K797 VanDerWaalsContact O-CB 3.23Å; K793-K797 WeakPolarHBondContact O-CB 3.35Å; K793-K797 PolarHBondContact O-N 3.39Å |
| 794 | S | 81.4 | Confident | 80.8 | Confident | 43 Ų | 43 | 79.6 Ų | 79.6 | 30% | 0.301 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.8 | -40.3 | 175.3 | 84.8 | 0 | 0 | 0 | 0 | 112.6 | K790 S791 M792 R798 | K790-S794 WeakPolarHBondContact O-CB 3.46Å; K790-S794 PolarHBondContact O-N 3.41Å; S791-S794 CarbonylContact O-C 3.5Å; S791-S794 WeakPolarHBondContact O-CA 3.4Å; S791-S794 WeakPolarHBondContact O-CB 3.42Å; S791-S794 PolarHBondContact O-N 3.48Å; S791-S794 PolarHBondContact O-OG 3.41Å; M792-S794 PolarHBondContact O-N 3.45Å; S794-R798 WeakPolarHBondContact O-CG 3.39Å; S794-R798 PolarHBondContact O-N 3.38Å; S794-R798 PolarHBondContact OG-NH2 3.32Å |
| 795 | V | 80.6 | Confident | 79.7 | Confident | 75 Ų | 75 | 88.1 Ų | 88.1 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.1 | -47.3 | 176.2 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | S791 M792 K797 R798 S799 | S791-V795 WeakPolarHBondContact O-CG2 3.49Å; S791-V795 PolarHBondContact O-N 3.21Å; M792-V795 PolarHBondContact O-N 3.16Å; M792-V795 VanDerWaalsContact O-N 3.14Å; V795-K797 PolarHBondContact O-N 3.3Å; V795-R798 WeakPolarHBondContact O-CB 3.37Å; V795-R798 PolarHBondContact O-N 3.41Å; V795-R798 VanDerWaalsContact O-N 3.14Å; V795-S799 WeakPolarHBondContact O-CB 3.49Å; V795-S799 PolarHBondContact O-N 3.02Å |
| 796 | H | 76.8 | Confident | 78.6 | Confident | 51 Ų | 51 | 88.9 Ų | 88.9 | 24% | 0.236 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 176.4 | -173.4 | 77.7 | 0 | 0 | 0 | 111.6 | M792 R798 S799 I800 | M792-H796 VanDerWaalsContact O-CB 3.31Å; M792-H796 WeakPolarHBondContact O-CB 3.34Å; M792-H796 PolarHBondContact O-N 2.87Å; H796-R798 PolarHBondContact O-N 3.04Å; H796-S799 PolarHBondContact O-N 2.79Å; H796-I800 WeakPolarHBondContact NE2-CD1 3.22Å; H796-I800 PolarHBondContact O-N 2.9Å |
| 797 | K | 79.9 | Confident | 77.3 | Confident | 146 Ų | 146 | 88.1 Ų | 88.1 | 64% | 0.635 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -59.8 | -43.9 | 173.2 | -174.7 | 179.4 | -179 | -179.2 | 0 | 112.3 | K793 V795 L801 | K793-K797 VanDerWaalsContact O-CB 3.23Å; K793-K797 WeakPolarHBondContact O-CB 3.35Å; K793-K797 PolarHBondContact O-N 3.39Å; V795-K797 PolarHBondContact O-N 3.3Å; K797-L801 HydrophobicContact CG-CD1 4.3Å; K797-L801 VanDerWaalsContact O-CG 3.29Å; K797-L801 WeakPolarHBondContact O-CG 3.48Å; K797-L801 PolarHBondContact O-N 3.35Å |
| 798 | R | 77.7 | Confident | 75.8 | Confident | 145 Ų | 145 | 93.2 Ų | 93.2 | 55% | 0.547 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 174.3 | -77.1 | -175.1 | -70.9 | -101.9 | -4.5 | 111.7 | S794 V795 H796 L801 T802 | S794-R798 WeakPolarHBondContact O-CG 3.39Å; S794-R798 PolarHBondContact O-N 3.38Å; S794-R798 PolarHBondContact OG-NH2 3.32Å; V795-R798 WeakPolarHBondContact O-CB 3.37Å; V795-R798 PolarHBondContact O-N 3.41Å; V795-R798 VanDerWaalsContact O-N 3.14Å; H796-R798 PolarHBondContact O-N 3.04Å; R798-L801 PolarHBondContact O-N 3.34Å; R798-T802 PolarHBondContact O-N 2.84Å; R798-T802 PolarHBondContact O-OG1 2.99Å; R798-T802 VanDerWaalsContact O-OG1 3.12Å |
| 799 | S | 73.9 | Confident | 74.2 | Confident | 40 Ų | 40 | 97 Ų | 97 | 28% | 0.28 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.2 | -48.1 | 179.3 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | V795 H796 L801 T802 L803 | V795-S799 WeakPolarHBondContact O-CB 3.49Å; V795-S799 PolarHBondContact O-N 3.02Å; H796-S799 PolarHBondContact O-N 2.79Å; S799-L801 VanDerWaalsContact C-N 3.35Å; S799-L801 PolarHBondContact O-N 2.81Å; S799-T802 PolarHBondContact O-N 2.79Å; S799-T802 VanDerWaalsContact O-N 3.17Å; S799-L803 WeakPolarHBondContact O-CG 3.41Å; S799-L803 PolarHBondContact O-N 3.1Å |
| 800 | I | 71.9 | Confident | 73.1 | Confident | 50 Ų | 50 | 98.3 Ų | 98.3 | 26% | 0.256 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 175.3 | -71.8 | 173.3 | 0 | 0 | 0 | 111.2 | H796 T802 L803 Q804 M814 | H796-I800 WeakPolarHBondContact NE2-CD1 3.22Å; H796-I800 PolarHBondContact O-N 2.9Å; I800-T802 VanDerWaalsContact C-N 3.3Å; I800-T802 PolarHBondContact O-N 2.91Å; I800-L803 PolarHBondContact O-N 3.08Å; I800-Q804 HydrophobicContact CG2-CG 4.36Å; I800-Q804 WeakPolarHBondContact O-CB 3.19Å; I800-Q804 WeakPolarHBondContact O-CG 3.49Å; I800-Q804 PolarHBondContact O-N 3.47Å; I800-M814 HydrophobicContact CD1-CE 4.45Å; I800-M814 HydrophobicContact CG1-SD 4.22Å |
| 801 | L | 74.1 | Confident | 72.2 | Confident | 89 Ų | 89 | 96.8 Ų | 96.8 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 178.7 | -72.5 | 168.4 | 0 | 0 | 0 | 112.2 | K797 R798 S799 R805 | K797-L801 HydrophobicContact CG-CD1 4.3Å; K797-L801 VanDerWaalsContact O-CG 3.29Å; K797-L801 WeakPolarHBondContact O-CG 3.48Å; K797-L801 PolarHBondContact O-N 3.35Å; R798-L801 PolarHBondContact O-N 3.34Å; S799-L801 VanDerWaalsContact C-N 3.35Å; S799-L801 PolarHBondContact O-N 2.81Å; L801-R805 WeakPolarHBondContact O-CG 3.45Å; L801-R805 PolarHBondContact O-N 2.82Å |
| 802 | T | 73.8 | Confident | 71.8 | Confident | 70 Ų | 70 | 99 Ų | 99 | 43% | 0.429 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.4 | -42.4 | 175.5 | -59.2 | 0 | 0 | 0 | 0 | 112 | R798 S799 I800 R805 Q806 | R798-T802 PolarHBondContact O-N 2.84Å; R798-T802 PolarHBondContact O-OG1 2.99Å; R798-T802 VanDerWaalsContact O-OG1 3.12Å; S799-T802 PolarHBondContact O-N 2.79Å; S799-T802 VanDerWaalsContact O-N 3.17Å; I800-T802 VanDerWaalsContact C-N 3.3Å; I800-T802 PolarHBondContact O-N 2.91Å; T802-R805 WeakPolarHBondContact O-CB 3.11Å; T802-R805 PolarHBondContact O-N 2.8Å; T802-Q806 PolarHBondContact O-N 2.84Å |
| 803 | L | 69.2 | Low | 71.2 | Confident | 22 Ų | 22 | 102 Ų | 102 | 12% | 0.115 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 178.3 | -69.7 | 174.2 | 0 | 0 | 0 | 112.3 | S799 I800 R805 Q806 S807 L809 Q813 | S799-L803 WeakPolarHBondContact O-CG 3.41Å; S799-L803 PolarHBondContact O-N 3.1Å; I800-L803 PolarHBondContact O-N 3.08Å; L803-R805 VanDerWaalsContact C-N 3.32Å; L803-R805 PolarHBondContact O-N 3.29Å; L803-Q806 PolarHBondContact O-N 3.25Å; L803-Q806 VanDerWaalsContact O-N 3.15Å; L803-S807 PolarHBondContact O-N 2.6Å; L803-L809 HydrophobicContact CB-CD1 4.15Å; L803-Q813 HydrophobicContact CD1-CB 4.47Å |
| 804 | Q | 68.3 | Low | 70.5 | Confident | 124 Ų | 124 | 98.6 Ų | 98.6 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.8 | -41.3 | 172 | -78.1 | -178.6 | -28.2 | 0 | 0 | 112 | I800 Q806 S807 L809 | I800-Q804 HydrophobicContact CG2-CG 4.36Å; I800-Q804 WeakPolarHBondContact O-CB 3.19Å; I800-Q804 WeakPolarHBondContact O-CG 3.49Å; I800-Q804 PolarHBondContact O-N 3.47Å; Q804-Q806 VanDerWaalsContact C-N 3.27Å; Q804-Q806 PolarHBondContact O-N 2.67Å; Q804-S807 PolarHBondContact O-N 2.88Å; Q804-L809 HydrophobicContact CG-CD1 4.33Å |
| 805 | R | 67.6 | Low | 70.3 | Confident | 223 Ų | 223 | 101.5 Ų | 101.5 | 84% | 0.842 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.8 | -27.7 | 176 | -75 | 175.1 | 175.1 | -174.2 | -2.3 | 113.7 | L801 T802 L803 | L801-R805 WeakPolarHBondContact O-CG 3.45Å; L801-R805 PolarHBondContact O-N 2.82Å; T802-R805 WeakPolarHBondContact O-CB 3.11Å; T802-R805 PolarHBondContact O-N 2.8Å; L803-R805 VanDerWaalsContact C-N 3.32Å; L803-R805 PolarHBondContact O-N 3.29Å |
| 806 | Q | 67.6 | Low | 70.3 | Confident | 121 Ų | 121 | 102.6 Ų | 102.6 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 1.4 | -175.5 | -70.1 | -178.8 | -7.9 | 0 | 0 | 114.1 | T802 L803 Q804 R808 | T802-Q806 PolarHBondContact O-N 2.84Å; L803-Q806 PolarHBondContact O-N 3.25Å; L803-Q806 VanDerWaalsContact O-N 3.15Å; Q804-Q806 VanDerWaalsContact C-N 3.27Å; Q804-Q806 PolarHBondContact O-N 2.67Å; Q806-R808 PolarHBondContact O-N 2.82Å |
| 807 | S | 62 | Low | 70.2 | Confident | 116 Ų | 116 | 100.9 Ų | 100.9 | 81% | 0.811 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 21.6 | 175.2 | 67.1 | 0 | 0 | 0 | 0 | 115.8 | L803 Q804 | L803-S807 PolarHBondContact O-N 2.6Å; Q804-S807 PolarHBondContact O-N 2.88Å |
| 808 | R | 56.9 | Low | 70.2 | Confident | 193 Ų | 193 | 97.9 Ų | 97.9 | 73% | 0.728 | 48% | 0.482 | S | S | * | . | trans | -133.7 | 83.9 | 177.2 | -73 | -176.5 | 171.4 | 177.2 | -2.7 | 110 | Q806 | Q806-R808 PolarHBondContact O-N 2.82Š| ||
| 809 | L | 52.2 | Low | 70.5 | Confident | 107 Ų | 107 | 97.1 Ų | 97.1 | 56% | 0.56 | 48% | 0.483 | S | S | * | . | trans | -88.5 | 99.9 | 167.1 | -116.3 | 92 | 0 | 0 | 0 | 109 | L803 Q804 | L803-L809 HydrophobicContact CB-CD1 4.15Å; Q804-L809 HydrophobicContact CG-CD1 4.33Å | ||
| 810 | N | 64.1 | Low | 70.9 | Confident | 96 Ų | 96 | 101.9 Ų | 101.9 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | trans | -97.5 | 129.6 | 166.7 | -75.5 | -1.8 | 0 | 0 | 0 | 109.1 | I812 Q813 | N810-I812 PolarHBondContact O-N 3.05Å; N810-Q813 PolarHBondContact O-N 3.41Å | ||
| 811 | T | 68.5 | Low | 71.4 | Confident | 106 Ų | 106 | 101.8 Ų | 101.8 | 65% | 0.65 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -51.5 | -30.9 | 179.4 | -44.9 | 0 | 0 | 0 | 0 | 113 | Q813 M814 N815 | T811-Q813 PolarHBondContact O-N 3.18Å; T811-M814 PolarHBondContact O-N 3.39Å; T811-N815 PolarHBondContact O-N 3.02Å |
| 812 | I | 74.7 | Confident | 72 | Confident | 112 Ų | 112 | 101.2 Ų | 101.2 | 57% | 0.574 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -54.9 | -48 | 174.7 | -59.1 | 171.9 | 0 | 0 | 0 | 111.5 | N810 M814 N815 E816 | N810-I812 PolarHBondContact O-N 3.05Å; I812-M814 PolarHBondContact O-N 3.3Å; I812-N815 PolarHBondContact O-N 2.81Å; I812-E816 HydrophobicContact CG2-CG 4.43Å; I812-E816 WeakPolarHBondContact CG2-OE1 3.26Å; I812-E816 WeakPolarHBondContact O-CG 3.48Å; I812-E816 PolarHBondContact O-N 2.88Å |
| 813 | Q | 70.3 | Confident | 72.7 | Confident | 73 Ų | 73 | 101.7 Ų | 101.7 | 34% | 0.341 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.7 | -33.1 | -177.6 | -68 | 177.2 | -33.6 | 0 | 0 | 112.7 | L803 N810 T811 A817 | L803-Q813 HydrophobicContact CD1-CB 4.47Å; N810-Q813 PolarHBondContact O-N 3.41Å; T811-Q813 PolarHBondContact O-N 3.18Å; Q813-A817 WeakPolarHBondContact O-CB 3.37Å; Q813-A817 PolarHBondContact O-N 3.41Å |
| 814 | M | 68.9 | Low | 73.5 | Confident | 68 Ų | 68 | 105.5 Ų | 105.5 | 34% | 0.335 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 171.7 | -77.1 | -69.4 | -65.6 | 0 | 0 | 110.8 | I800 T811 I812 A817 Q818 | I800-M814 HydrophobicContact CD1-CE 4.45Å; I800-M814 HydrophobicContact CG1-SD 4.22Å; T811-M814 PolarHBondContact O-N 3.39Å; I812-M814 PolarHBondContact O-N 3.3Å; M814-A817 PolarHBondContact O-N 2.88Å; M814-Q818 WeakPolarHBondContact O-CB 3.48Å; M814-Q818 PolarHBondContact O-N 2.79Å |
| 815 | N | 77.5 | Confident | 74.5 | Confident | 104 Ų | 104 | 102.2 Ų | 102.2 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66 | -38.3 | 177.2 | -68.6 | -6.5 | 0 | 0 | 0 | 112 | T811 I812 Q818 K819 | T811-N815 PolarHBondContact O-N 3.02Å; I812-N815 PolarHBondContact O-N 2.81Å; N815-Q818 PolarHBondContact O-N 3.44Å; N815-K819 VanDerWaalsContact O-CB 3.32Å; N815-K819 WeakPolarHBondContact O-CB 3.49Å; N815-K819 PolarHBondContact O-N 3.37Å |
| 816 | E | 79.5 | Confident | 75.6 | Confident | 99 Ų | 99 | 97.7 Ų | 97.7 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 173.5 | -73.8 | 169.7 | -179.4 | 0 | 0 | 112.9 | I812 R820 | I812-E816 HydrophobicContact CG2-CG 4.43Å; I812-E816 WeakPolarHBondContact CG2-OE1 3.26Å; I812-E816 WeakPolarHBondContact O-CG 3.48Å; I812-E816 PolarHBondContact O-N 2.88Å; E816-R820 WeakPolarHBondContact O-CG 3.32Å; E816-R820 PolarHBondContact O-N 3.27Å; E816-R820 PolarHBondContact O-NE 2.87Å |
| 817 | A | 75 | Confident | 76.8 | Confident | 15 Ų | 15 | 98.1 Ų | 98.1 | 12% | 0.124 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -68.9 | -39.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q813 M814 M821 | Q813-A817 WeakPolarHBondContact O-CB 3.37Å; Q813-A817 PolarHBondContact O-N 3.41Å; M814-A817 PolarHBondContact O-N 2.88Å; A817-M821 PolarHBondContact O-N 2.78Å; A817-M821 VanDerWaalsContact O-N 3.14Å |
| 818 | Q | 80.1 | Confident | 78.2 | Confident | 82 Ų | 82 | 93.5 Ų | 93.5 | 38% | 0.383 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.7 | -40.8 | 173.7 | -177.4 | 64 | 44.2 | 0 | 0 | 111.9 | M814 N815 M821 N822 | M814-Q818 WeakPolarHBondContact O-CB 3.48Å; M814-Q818 PolarHBondContact O-N 2.79Å; N815-Q818 PolarHBondContact O-N 3.44Å; Q818-M821 WeakPolarHBondContact O-CB 3.37Å; Q818-M821 PolarHBondContact O-N 2.93Å; Q818-M821 VanDerWaalsContact OE1-CE 3.25Å; Q818-N822 PolarHBondContact NE2-OD1 3.38Å; Q818-N822 PolarHBondContact O-N 2.91Å; Q818-N822 PolarHBondContact O-OD1 2.64Å |
| 819 | K | 84.5 | Confident | 79.9 | Confident | 130 Ų | 130 | 88.9 Ų | 88.9 | 57% | 0.565 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.7 | -49.1 | 176.9 | -174.5 | 176.1 | -173.7 | -89 | 0 | 111.2 | N815 M821 N822 E823 | N815-K819 VanDerWaalsContact O-CB 3.32Å; N815-K819 WeakPolarHBondContact O-CB 3.49Å; N815-K819 PolarHBondContact O-N 3.37Å; K819-M821 VanDerWaalsContact C-N 3.26Å; K819-M821 PolarHBondContact O-N 2.91Å; K819-N822 WeakPolarHBondContact O-CB 3.5Å; K819-N822 PolarHBondContact O-N 3.46Å; K819-E823 WeakPolarHBondContact CE-OE1 3.38Å; K819-E823 HydrophobicContact CG-CG 4.47Å; K819-E823 IonicContact NZ-OE1 3.46Å; K819-E823 PolarHBondContact NZ-OE1 3.26Å; K819-E823 WeakPolarHBondContact O-CG 2.99Å; K819-E823 PolarHBondContact O-N 2.75Å |
| 820 | R | 82.4 | Confident | 81.9 | Confident | 140 Ų | 140 | 87.4 Ų | 87.4 | 53% | 0.528 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.3 | -36.9 | 174.6 | -77.8 | -178.2 | -74.1 | 175.7 | -8.1 | 113 | E816 E823 E824 | E816-R820 WeakPolarHBondContact O-CG 3.32Å; E816-R820 PolarHBondContact O-N 3.27Å; E816-R820 PolarHBondContact O-NE 2.87Å; R820-E823 WeakPolarHBondContact CA-OE2 3.35Å; R820-E823 PolarHBondContact O-N 2.94Å; R820-E824 WeakPolarHBondContact O-CG 3.32Å; R820-E824 PolarHBondContact O-N 3.47Å |
| 821 | M | 82.2 | Confident | 83.3 | Confident | 47 Ų | 47 | 87.6 Ų | 87.6 | 23% | 0.232 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.8 | -36.7 | 174.4 | -171.3 | 176 | 64 | 0 | 0 | 112.3 | M792 A817 Q818 K819 L825 | M792-M821 HydrophobicContact CB-CG 4.05Å; M792-M821 HydrophobicContact CB-SD 4.14Å; M792-M821 HydrophobicContact CE-CG 3.83Å; M792-M821 WeakPolarHBondContact CE-O 3.3Å; M792-M821 HydrophobicContact CG-CG 4.15Å; M792-M821 HydrophobicContact SD-CG 3.92Å; A817-M821 PolarHBondContact O-N 2.78Å; A817-M821 VanDerWaalsContact O-N 3.14Å; Q818-M821 WeakPolarHBondContact O-CB 3.37Å; Q818-M821 PolarHBondContact O-N 2.93Å; Q818-M821 VanDerWaalsContact OE1-CE 3.25Å; K819-M821 VanDerWaalsContact C-N 3.26Å; K819-M821 PolarHBondContact O-N 2.91Å; M821-L825 PolarHBondContact O-N 3Å |
| 822 | N | 86.1 | Confident | 84.6 | Confident | 77 Ų | 77 | 82.7 Ų | 82.7 | 41% | 0.412 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.8 | -43 | 173.5 | -67.4 | 8.6 | 0 | 0 | 0 | 111.2 | Q818 K819 E824 L825 E826 | Q818-N822 PolarHBondContact NE2-OD1 3.38Å; Q818-N822 PolarHBondContact O-N 2.91Å; Q818-N822 PolarHBondContact O-OD1 2.64Å; K819-N822 WeakPolarHBondContact O-CB 3.5Å; K819-N822 PolarHBondContact O-N 3.46Å; N822-E824 PolarHBondContact O-N 3.11Å; N822-L825 WeakPolarHBondContact O-CB 3.32Å; N822-L825 PolarHBondContact O-N 3.03Å; N822-L825 VanDerWaalsContact O-N 3.07Å; N822-E826 PolarHBondContact O-N 2.61Å |
| 823 | E | 88.6 | Confident | 85.6 | Confident | 81 Ų | 81 | 83.8 Ų | 83.8 | 38% | 0.379 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 177.2 | -69.8 | 166.8 | 165.4 | 0 | 0 | 112.5 | K819 R820 L825 E826 L827 | K819-E823 WeakPolarHBondContact CE-OE1 3.38Å; K819-E823 HydrophobicContact CG-CG 4.47Å; K819-E823 IonicContact NZ-OE1 3.46Å; K819-E823 PolarHBondContact NZ-OE1 3.26Å; K819-E823 WeakPolarHBondContact O-CG 2.99Å; K819-E823 PolarHBondContact O-N 2.75Å; R820-E823 WeakPolarHBondContact CA-OE2 3.35Å; R820-E823 PolarHBondContact O-N 2.94Å; E823-L825 VanDerWaalsContact C-N 3.29Å; E823-L825 PolarHBondContact O-N 2.79Å; E823-E826 PolarHBondContact O-N 2.89Å; E823-L827 WeakPolarHBondContact O-CB 3.46Å; E823-L827 PolarHBondContact O-N 3.02Å |
| 824 | E | 87 | Confident | 86.8 | Confident | 102 Ų | 102 | 83.1 Ų | 83.1 | 48% | 0.477 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.6 | -33.4 | 173.5 | -78.6 | 179.9 | -165.9 | 0 | 0 | 112.4 | M792 R820 N822 L828 | M792-E824 HydrophobicContact CE-CB 3.37Å; M792-E824 WeakPolarHBondContact CG-OE2 3.21Å; R820-E824 WeakPolarHBondContact O-CG 3.32Å; R820-E824 PolarHBondContact O-N 3.47Å; N822-E824 PolarHBondContact O-N 3.11Å; E824-L828 PolarHBondContact O-N 3.31Å; E824-L828 VanDerWaalsContact O-N 3.15Å |
| 825 | L | 88.9 | Confident | 88 | Confident | 55 Ų | 55 | 83 Ų | 83 | 29% | 0.288 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -73.4 | -44 | 177.2 | -168.5 | 65.7 | 0 | 0 | 0 | 111.6 | M792 M821 N822 E823 L827 L828 E829 | M792-L825 HydrophobicContact CE-CB 4.09Å; M821-L825 PolarHBondContact O-N 3Å; N822-L825 WeakPolarHBondContact O-CB 3.32Å; N822-L825 PolarHBondContact O-N 3.03Å; N822-L825 VanDerWaalsContact O-N 3.07Å; E823-L825 VanDerWaalsContact C-N 3.29Å; E823-L825 PolarHBondContact O-N 2.79Å; L825-L827 VanDerWaalsContact C-N 3.32Å; L825-L827 PolarHBondContact O-N 2.95Å; L825-L828 PolarHBondContact O-N 3.38Å; L825-E829 WeakPolarHBondContact O-CG 3.2Å; L825-E829 PolarHBondContact O-N 3.41Å |
| 826 | E | 91.4 | Very high | 88.9 | Confident | 128 Ų | 128 | 80.5 Ų | 80.5 | 60% | 0.598 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.8 | -40.5 | 174.7 | -73.7 | 175.8 | -171 | 0 | 0 | 111.5 | N822 E823 L828 E829 S830 | N822-E826 PolarHBondContact O-N 2.61Å; E823-E826 PolarHBondContact O-N 2.89Å; E826-L828 VanDerWaalsContact C-N 3.35Å; E826-L828 PolarHBondContact O-N 3.43Å; E826-E829 PolarHBondContact O-N 2.83Å; E826-S830 VanDerWaalsContact O-CB 3.29Å; E826-S830 WeakPolarHBondContact O-CB 3.38Å; E826-S830 PolarHBondContact O-N 3.1Å |
| 827 | L | 91.9 | Very high | 89.7 | Confident | 129 Ų | 129 | 79.4 Ų | 79.4 | 68% | 0.675 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.2 | -40.5 | 174.6 | -175.7 | 64.9 | 0 | 0 | 0 | 111.8 | E823 L825 K831 | E823-L827 WeakPolarHBondContact O-CB 3.46Å; E823-L827 PolarHBondContact O-N 3.02Å; L825-L827 VanDerWaalsContact C-N 3.32Å; L825-L827 PolarHBondContact O-N 2.95Å; L827-K831 WeakPolarHBondContact O-CB 3.24Å; L827-K831 PolarHBondContact O-N 3.07Å |
| 828 | L | 92 | Very high | 90.6 | Very high | 20 Ų | 20 | 83.8 Ų | 83.8 | 11% | 0.105 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66 | -43.9 | 174.6 | 179.8 | 63.7 | 0 | 0 | 0 | 111.7 | E784 R785 C788 E824 L825 E826 S830 K831 Q832 | E784-L828 HydrophobicContact CB-CD1 4.32Å; R785-L828 HydrophobicContact CB-CD2 4.44Å; R785-L828 HydrophobicContact CG-CD2 3.91Å; C788-L828 HydrophobicContact CB-CD2 3.66Å; E824-L828 PolarHBondContact O-N 3.31Å; E824-L828 VanDerWaalsContact O-N 3.15Å; L825-L828 PolarHBondContact O-N 3.38Å; E826-L828 VanDerWaalsContact C-N 3.35Å; E826-L828 PolarHBondContact O-N 3.43Å; L828-S830 VanDerWaalsContact C-N 3.34Å; L828-K831 HydrophobicContact CD1-CD 4.46Å; L828-K831 PolarHBondContact O-N 3.18Å; L828-Q832 HydrophobicContact CD1-CG 4.22Å; L828-Q832 HydrophobicContact CG-CG 4.46Å; L828-Q832 WeakPolarHBondContact O-CB 3.37Å; L828-Q832 VanDerWaalsContact O-CG 3.3Å; L828-Q832 WeakPolarHBondContact O-CG 3.41Å; L828-Q832 PolarHBondContact O-N 2.94Å |
| 829 | E | 93 | Very high | 91.2 | Very high | 96 Ų | 96 | 81.3 Ų | 81.3 | 45% | 0.449 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 177.6 | -72.2 | -172.7 | 169.7 | 0 | 0 | 111.8 | L825 E826 Q832 K833 | L825-E829 WeakPolarHBondContact O-CG 3.2Å; L825-E829 PolarHBondContact O-N 3.41Å; E826-E829 PolarHBondContact O-N 2.83Å; E829-Q832 PolarHBondContact O-N 3.34Å; E829-K833 WeakPolarHBondContact O-CB 3.46Å; E829-K833 PolarHBondContact O-N 3.03Å |
| 830 | S | 93.9 | Very high | 91.8 | Very high | 76 Ų | 76 | 78.3 Ų | 78.3 | 53% | 0.531 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 172.6 | -173.2 | 0 | 0 | 0 | 0 | 112 | E826 L828 Q832 K833 A834 | E826-S830 VanDerWaalsContact O-CB 3.29Å; E826-S830 WeakPolarHBondContact O-CB 3.38Å; E826-S830 PolarHBondContact O-N 3.1Å; L828-S830 VanDerWaalsContact C-N 3.34Å; S830-Q832 PolarHBondContact O-N 3.14Å; S830-K833 PolarHBondContact O-N 3Å; S830-A834 PolarHBondContact O-N 2.79Å |
| 831 | K | 93.6 | Very high | 92.4 | Very high | 100 Ų | 100 | 77.5 Ų | 77.5 | 44% | 0.435 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.7 | -47.4 | 173.4 | -177 | -158.9 | 175.3 | -165.6 | 0 | 111.5 | E784 L827 L828 A834 Q835 | E784-K831 IonicContact OE1-NZ 3.93Å; E784-K831 PolarHBondContact OE1-NZ 2.89Å; L827-K831 WeakPolarHBondContact O-CB 3.24Å; L827-K831 PolarHBondContact O-N 3.07Å; L828-K831 HydrophobicContact CD1-CD 4.46Å; L828-K831 PolarHBondContact O-N 3.18Å; K831-A834 PolarHBondContact O-N 3.14Å; K831-Q835 WeakPolarHBondContact O-CG 3.31Å; K831-Q835 PolarHBondContact O-N 3.28Å |
| 832 | Q | 95.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 77.6 Ų | 77.6 | 1% | 0.014 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.2 | -39 | -178.4 | -72.6 | -170.7 | -4.9 | 0 | 0 | 111.9 | H781 E784 R785 L828 E829 S830 Q835 T836 | H781-Q832 VanDerWaalsContact CA-NE2 3.28Å; H781-Q832 HydrophobicContact CB-CG 4.4Å; H781-Q832 VanDerWaalsContact CD2-CG 3.48Å; H781-Q832 WeakPolarHBondContact CD2-CG 3.23Å; H781-Q832 PolarHBondContact CE1-O 3.16Å; H781-Q832 VanDerWaalsContact CE1-O 3.23Å; H781-Q832 PolarHBondContact O-NE2 2.76Å; H781-Q832 VanDerWaalsContact O-NE2 3.09Å; E784-Q832 PolarHBondContact OE2-NE2 2.68Å; R785-Q832 VanDerWaalsContact CZ-OE1 3.25Å; L828-Q832 HydrophobicContact CD1-CG 4.22Å; L828-Q832 HydrophobicContact CG-CG 4.46Å; L828-Q832 WeakPolarHBondContact O-CB 3.37Å; L828-Q832 VanDerWaalsContact O-CG 3.3Å; L828-Q832 WeakPolarHBondContact O-CG 3.41Å; L828-Q832 PolarHBondContact O-N 2.94Å; E829-Q832 PolarHBondContact O-N 3.34Å; S830-Q832 PolarHBondContact O-N 3.14Å; Q832-Q835 PolarHBondContact O-N 3.1Å; Q832-T836 PolarHBondContact O-N 3.17Å; Q832-T836 PolarHBondContact O-OG1 2.7Å; Q832-T836 VanDerWaalsContact O-OG1 3.1Å |
| 833 | K | 95.4 | Very high | 93.3 | Very high | 135 Ų | 135 | 74.1 Ų | 74.1 | 59% | 0.587 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60 | -48.9 | 171.9 | -178.6 | 176.8 | 177.2 | -178.7 | 0 | 111.3 | E829 S830 Q835 T836 D837 | E829-K833 WeakPolarHBondContact O-CB 3.46Å; E829-K833 PolarHBondContact O-N 3.03Å; S830-K833 PolarHBondContact O-N 3Å; K833-Q835 VanDerWaalsContact C-N 3.29Å; K833-Q835 PolarHBondContact O-N 3.39Å; K833-T836 PolarHBondContact O-N 3.47Å; K833-D837 WeakPolarHBondContact CE-OD2 3.47Å; K833-D837 PolarHBondContact O-N 3.31Å |
| 834 | A | 94.9 | Very high | 93.7 | Very high | 58 Ų | 58 | 76.4 Ų | 76.4 | 48% | 0.479 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58 | -40.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S830 K831 E838 | S830-A834 PolarHBondContact O-N 2.79Å; K831-A834 PolarHBondContact O-N 3.14Å; A834-E838 WeakPolarHBondContact O-CB 3.4Å; A834-E838 PolarHBondContact O-N 2.85Å |
| 835 | Q | 94.7 | Very high | 94 | Very high | 65 Ų | 65 | 77.1 Ų | 77.1 | 30% | 0.304 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 173.8 | -71.1 | 175 | -30.7 | 0 | 0 | 113.2 | L777 H781 K831 Q832 K833 L839 | L777-Q835 HydrophobicContact CD1-CB 4.32Å; H781-Q835 PolarHBondContact CD2-OE1 2.85Å; H781-Q835 PolarHBondContact NE2-OE1 2.98Å; K831-Q835 WeakPolarHBondContact O-CG 3.31Å; K831-Q835 PolarHBondContact O-N 3.28Å; Q832-Q835 PolarHBondContact O-N 3.1Å; K833-Q835 VanDerWaalsContact C-N 3.29Å; K833-Q835 PolarHBondContact O-N 3.39Å; Q835-L839 WeakPolarHBondContact O-CB 3.1Å; Q835-L839 PolarHBondContact O-N 2.97Å; Q835-L839 VanDerWaalsContact O-N 3.08Å |
| 836 | T | 95.4 | Very high | 94.3 | Very high | 52 Ų | 52 | 77.2 Ų | 77.2 | 32% | 0.319 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.5 | -47 | 175 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | H781 Q832 K833 E838 L839 E840 | H781-T836 PolarHBondContact CE1-OG1 3.48Å; Q832-T836 PolarHBondContact O-N 3.17Å; Q832-T836 PolarHBondContact O-OG1 2.7Å; Q832-T836 VanDerWaalsContact O-OG1 3.1Å; K833-T836 PolarHBondContact O-N 3.47Å; T836-E838 VanDerWaalsContact C-N 3.26Å; T836-E838 PolarHBondContact O-N 2.97Å; T836-L839 PolarHBondContact O-N 3.21Å; T836-E840 HydrophobicContact CG2-CG 4.38Å; T836-E840 WeakPolarHBondContact O-CG 3.25Å; T836-E840 PolarHBondContact O-N 3.43Å |
| 837 | D | 96.2 | Very high | 94.5 | Very high | 76 Ų | 76 | 74 Ų | 74 | 41% | 0.406 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.6 | -37.5 | 178.9 | -67.8 | -16.3 | 0 | 0 | 0 | 110.8 | K833 K841 | K833-D837 WeakPolarHBondContact CE-OD2 3.47Å; K833-D837 PolarHBondContact O-N 3.31Å; D837-K841 WeakPolarHBondContact O-CG 3.42Å; D837-K841 PolarHBondContact O-N 3.41Å |
| 838 | E | 94.1 | Very high | 94.6 | Very high | 107 Ų | 107 | 73.2 Ų | 73.2 | 50% | 0.5 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.8 | -42.6 | 175.8 | -163.7 | 55.2 | -145.4 | 0 | 0 | 112.9 | A834 T836 E840 K841 S842 | A834-E838 WeakPolarHBondContact O-CB 3.4Å; A834-E838 PolarHBondContact O-N 2.85Å; T836-E838 VanDerWaalsContact C-N 3.26Å; T836-E838 PolarHBondContact O-N 2.97Å; E838-E840 VanDerWaalsContact C-N 3.33Å; E838-E840 PolarHBondContact O-N 2.98Å; E838-K841 PolarHBondContact O-N 3.05Å; E838-K841 IonicContact OE2-NZ 3.02Å; E838-K841 PolarHBondContact OE2-NZ 2.74Å; E838-S842 PolarHBondContact O-N 3.27Å |
| 839 | L | 93.3 | Very high | 94.6 | Very high | 31 Ų | 31 | 77.3 Ų | 77.3 | 16% | 0.162 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 173 | 179.2 | 61.1 | 0 | 0 | 0 | 111.1 | E773 R774 L777 Q835 T836 S842 I843 | E773-L839 HydrophobicContact CB-CD1 4.2Å; E773-L839 HydrophobicContact CB-CD2 4.42Å; R774-L839 HydrophobicContact CG-CD2 4.27Å; L777-L839 HydrophobicContact CB-CD2 4.16Å; L777-L839 HydrophobicContact CD2-CB 4.15Å; L777-L839 HydrophobicContact CD2-CD2 3.66Å; Q835-L839 WeakPolarHBondContact O-CB 3.1Å; Q835-L839 PolarHBondContact O-N 2.97Å; Q835-L839 VanDerWaalsContact O-N 3.08Å; T836-L839 PolarHBondContact O-N 3.21Å; L839-S842 WeakPolarHBondContact O-CB 3.45Å; L839-S842 PolarHBondContact O-N 2.87Å; L839-I843 HydrophobicContact CD1-CD1 4.17Å; L839-I843 HydrophobicContact CD1-CG1 4.31Å; L839-I843 HydrophobicContact CD2-CD1 4.45Å; L839-I843 HydrophobicContact CG-CD1 3.79Å; L839-I843 HydrophobicContact CG-CG1 4.4Å; L839-I843 WeakPolarHBondContact O-CD1 3.35Å; L839-I843 WeakPolarHBondContact O-CG1 3.24Å; L839-I843 PolarHBondContact O-N 3.11Å |
| 840 | E | 96.7 | Very high | 94.5 | Very high | 66 Ų | 66 | 74.1 Ų | 74.1 | 31% | 0.308 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67 | -36.4 | 179.1 | -69.1 | -60.7 | 149.2 | 0 | 0 | 113.1 | R774 T836 E838 I843 H844 | R774-E840 IonicContact CZ-OE1 2.67Å; R774-E840 VanDerWaalsContact CZ-OE1 3.27Å; R774-E840 IonicContact CZ-OE2 3.81Å; R774-E840 IonicContact NE-OE1 3.98Å; R774-E840 PolarHBondContact NE-OE1 2.67Å; R774-E840 IonicContact NE-OE2 3.22Å; R774-E840 VanDerWaalsContact NH2-CD 3.26Å; R774-E840 IonicContact NH2-OE1 3Å; R774-E840 PolarHBondContact NH2-OE1 2.9Å; R774-E840 IonicContact NH2-OE2 2.75Å; R774-E840 PolarHBondContact NH2-OE2 2.87Å; T836-E840 HydrophobicContact CG2-CG 4.38Å; T836-E840 WeakPolarHBondContact O-CG 3.25Å; T836-E840 PolarHBondContact O-N 3.43Å; E838-E840 VanDerWaalsContact C-N 3.33Å; E838-E840 PolarHBondContact O-N 2.98Å; E840-I843 PolarHBondContact O-N 2.98Å; E840-H844 WeakPolarHBondContact O-CB 3.49Å; E840-H844 PolarHBondContact O-N 2.97Å |
| 841 | K | 95 | Very high | 94.5 | Very high | 124 Ų | 124 | 76.4 Ų | 76.4 | 54% | 0.539 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 169.4 | -71.1 | 173.3 | -150.8 | 158.2 | 0 | 111.6 | D837 E838 I843 H844 F845 | D837-K841 WeakPolarHBondContact O-CG 3.42Å; D837-K841 PolarHBondContact O-N 3.41Å; E838-K841 PolarHBondContact O-N 3.05Å; E838-K841 IonicContact OE2-NZ 3.02Å; E838-K841 PolarHBondContact OE2-NZ 2.74Å; K841-I843 VanDerWaalsContact C-N 3.3Å; K841-I843 PolarHBondContact O-N 3.36Å; K841-H844 PolarHBondContact O-N 2.81Å; K841-F845 WeakPolarHBondContact O-CB 3.47Å; K841-F845 PolarHBondContact O-N 2.65Å |
| 842 | S | 94 | Very high | 94.5 | Very high | 48 Ų | 48 | 76.2 Ų | 76.2 | 34% | 0.336 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 176.8 | 171.2 | 0 | 0 | 0 | 0 | 112.3 | E838 L839 R846 | E838-S842 PolarHBondContact O-N 3.27Å; L839-S842 WeakPolarHBondContact O-CB 3.45Å; L839-S842 PolarHBondContact O-N 2.87Å; S842-R846 WeakPolarHBondContact O-CB 3.49Å; S842-R846 WeakPolarHBondContact O-CG 3.41Å; S842-R846 PolarHBondContact O-N 3.39Å; S842-R846 VanDerWaalsContact O-N 3.11Å; S842-R846 PolarHBondContact O-NE 3.4Å; S842-R846 PolarHBondContact OG-NE 3.19Å; S842-R846 PolarHBondContact OG-NH2 3.13Å |
| 843 | I | 94.7 | Very high | 94.3 | Very high | 5 Ų | 5 | 78 Ų | 78 | 3% | 0.026 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65 | -47.5 | 174.1 | -69.7 | 162.8 | 0 | 0 | 0 | 110.7 | I770 R774 L839 E840 K841 R846 L847 | I770-I843 HydrophobicContact CD1-CG2 3.78Å; I770-I843 HydrophobicContact CG1-CG1 4.15Å; I770-I843 HydrophobicContact CG1-CG2 4.04Å; I770-I843 HydrophobicContact CG2-CD1 3.76Å; I770-I843 HydrophobicContact CG2-CG1 4.03Å; I770-I843 HydrophobicContact CG2-CG2 3.96Å; R774-I843 HydrophobicContact CG-CD1 4.19Å; L839-I843 HydrophobicContact CD1-CD1 4.17Å; L839-I843 HydrophobicContact CD1-CG1 4.31Å; L839-I843 HydrophobicContact CD2-CD1 4.45Å; L839-I843 HydrophobicContact CG-CD1 3.79Å; L839-I843 HydrophobicContact CG-CG1 4.4Å; L839-I843 WeakPolarHBondContact O-CD1 3.35Å; L839-I843 WeakPolarHBondContact O-CG1 3.24Å; L839-I843 PolarHBondContact O-N 3.11Å; E840-I843 PolarHBondContact O-N 2.98Å; K841-I843 VanDerWaalsContact C-N 3.3Å; K841-I843 PolarHBondContact O-N 3.36Å; I843-R846 PolarHBondContact O-N 2.87Å; I843-L847 HydrophobicContact CG2-CD1 3.89Å; I843-L847 WeakPolarHBondContact O-CG 3.23Å; I843-L847 PolarHBondContact O-N 3.37Å |
| 844 | H | 95.3 | Very high | 94.2 | Very high | 128 Ų | 128 | 73.2 Ų | 73.2 | 59% | 0.593 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.3 | -46 | -179.6 | -177.1 | 60.2 | 0 | 0 | 0 | 111.7 | E840 K841 L847 Q848 | E840-H844 WeakPolarHBondContact O-CB 3.49Å; E840-H844 PolarHBondContact O-N 2.97Å; K841-H844 PolarHBondContact O-N 2.81Å; H844-L847 PolarHBondContact O-N 2.92Å; H844-Q848 PolarHBondContact O-N 2.86Å |
| 845 | F | 94.7 | Very high | 94.1 | Very high | 117 Ų | 117 | 73.8 Ų | 73.8 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.1 | -50.5 | 176.2 | -174.9 | -102 | 0 | 0 | 0 | 111.8 | K841 L847 Q848 E849 | K841-F845 WeakPolarHBondContact O-CB 3.47Å; K841-F845 PolarHBondContact O-N 2.65Å; F845-L847 VanDerWaalsContact C-N 3.3Å; F845-L847 PolarHBondContact O-N 2.81Å; F845-Q848 PolarHBondContact O-N 3.28Å; F845-Q848 VanDerWaalsContact O-N 3.13Å; F845-E849 HydrophobicContact CD1-CG 4.16Å; F845-E849 HydrophobicContact CE1-CG 3.79Å; F845-E849 VanDerWaalsContact CE1-OE1 3.31Å; F845-E849 WeakPolarHBondContact CE1-OE1 3.27Å; F845-E849 VanDerWaalsContact CE1-OE2 3.32Å; F845-E849 WeakPolarHBondContact CE1-OE2 3.37Å; F845-E849 HydrophobicContact CE2-CG 4.41Å; F845-E849 HydrophobicContact CZ-CG 3.92Å; F845-E849 WeakPolarHBondContact CZ-OE1 3.3Å; F845-E849 PolarHBondContact O-N 3.34Å |
| 846 | R | 94.6 | Very high | 94 | Very high | 57 Ų | 57 | 75.9 Ų | 75.9 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.6 | -34.8 | 177.9 | -75.3 | 179.7 | -73.9 | 167.4 | -3.6 | 113.5 | L766 E773 S842 I843 L850 | L766-R846 HydrophobicContact CD1-CB 4.38Å; L766-R846 HydrophobicContact CD2-CB 4.47Å; E773-R846 VanDerWaalsContact CD-NH1 3.34Å; E773-R846 IonicContact OE1-CZ 3.06Å; E773-R846 IonicContact OE1-NH1 2.88Å; E773-R846 PolarHBondContact OE1-NH1 3.25Å; E773-R846 IonicContact OE1-NH2 2.6Å; E773-R846 IonicContact OE2-CZ 2.82Å; E773-R846 IonicContact OE2-NH1 3.14Å; E773-R846 PolarHBondContact OE2-NH1 3.07Å; E773-R846 IonicContact OE2-NH2 2.66Å; E773-R846 PolarHBondContact OE2-NH2 3.13Å; S842-R846 WeakPolarHBondContact O-CB 3.49Å; S842-R846 WeakPolarHBondContact O-CG 3.41Å; S842-R846 PolarHBondContact O-N 3.39Å; S842-R846 VanDerWaalsContact O-N 3.11Å; S842-R846 PolarHBondContact O-NE 3.4Å; S842-R846 PolarHBondContact OG-NE 3.19Å; S842-R846 PolarHBondContact OG-NH2 3.13Å; I843-R846 PolarHBondContact O-N 2.87Å; R846-L850 WeakPolarHBondContact O-CB 3.26Å; R846-L850 PolarHBondContact O-N 3.12Å; R846-L850 VanDerWaalsContact O-N 3.1Å |
| 847 | L | 95.2 | Very high | 93.9 | Very high | 60 Ų | 60 | 76.7 Ų | 76.7 | 31% | 0.314 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.7 | -41.7 | 174.7 | -74.8 | 168.5 | 0 | 0 | 0 | 111.9 | L763 L766 I770 I843 H844 F845 L850 E851 | L763-L847 HydrophobicContact CD1-CD2 4.03Å; L766-L847 HydrophobicContact CD2-CD2 3.88Å; L766-L847 HydrophobicContact CD2-CG 4.4Å; L766-L847 HydrophobicContact CG-CD2 4.45Å; I770-L847 HydrophobicContact CD1-CD1 4.3Å; I770-L847 HydrophobicContact CD1-CD2 4.12Å; I770-L847 HydrophobicContact CD1-CG 4.16Å; I843-L847 HydrophobicContact CG2-CD1 3.89Å; I843-L847 WeakPolarHBondContact O-CG 3.23Å; I843-L847 PolarHBondContact O-N 3.37Å; H844-L847 PolarHBondContact O-N 2.92Å; F845-L847 VanDerWaalsContact C-N 3.3Å; F845-L847 PolarHBondContact O-N 2.81Å; L847-L850 PolarHBondContact O-N 3.38Å; L847-E851 PolarHBondContact O-N 3.47Å |
| 848 | Q | 94.9 | Very high | 93.8 | Very high | 114 Ų | 114 | 80.5 Ų | 80.5 | 53% | 0.533 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 176.9 | -173.2 | -178.7 | 1.3 | 0 | 0 | 111.9 | H844 F845 L850 E851 Q852 | H844-Q848 PolarHBondContact O-N 2.86Å; F845-Q848 PolarHBondContact O-N 3.28Å; F845-Q848 VanDerWaalsContact O-N 3.13Å; Q848-L850 VanDerWaalsContact C-N 3.35Å; Q848-E851 PolarHBondContact O-N 3.26Å; Q848-Q852 VanDerWaalsContact O-CB 3.32Å; Q848-Q852 WeakPolarHBondContact O-CB 3.33Å; Q848-Q852 PolarHBondContact O-N 2.95Å |
| 849 | E | 92.6 | Very high | 93.9 | Very high | 106 Ų | 106 | 79.2 Ų | 79.2 | 50% | 0.495 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 173.5 | -75.1 | -167.4 | 126.6 | 0 | 0 | 111.9 | F845 S853 | F845-E849 HydrophobicContact CD1-CG 4.16Å; F845-E849 HydrophobicContact CE1-CG 3.79Å; F845-E849 VanDerWaalsContact CE1-OE1 3.31Å; F845-E849 WeakPolarHBondContact CE1-OE1 3.27Å; F845-E849 VanDerWaalsContact CE1-OE2 3.32Å; F845-E849 WeakPolarHBondContact CE1-OE2 3.37Å; F845-E849 HydrophobicContact CE2-CG 4.41Å; F845-E849 HydrophobicContact CZ-CG 3.92Å; F845-E849 WeakPolarHBondContact CZ-OE1 3.3Å; F845-E849 PolarHBondContact O-N 3.34Å; E849-S853 VanDerWaalsContact O-CB 3.25Å; E849-S853 WeakPolarHBondContact O-CB 3.25Å; E849-S853 PolarHBondContact O-N 2.9Å |
| 850 | L | 90.4 | Very high | 93.9 | Very high | 28 Ų | 28 | 80.6 Ų | 80.6 | 15% | 0.147 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.3 | -47 | 176.4 | -177.3 | 63.1 | 0 | 0 | 0 | 111.1 | E762 L763 L766 R846 L847 Q848 S853 T854 | E762-L850 HydrophobicContact CB-CD1 4.05Å; L763-L850 HydrophobicContact CB-CD2 4.11Å; L763-L850 HydrophobicContact CD1-CD2 4.09Å; L766-L850 HydrophobicContact CB-CD2 4.36Å; L766-L850 HydrophobicContact CD2-CB 4.19Å; L766-L850 HydrophobicContact CD2-CD2 3.7Å; R846-L850 WeakPolarHBondContact O-CB 3.26Å; R846-L850 PolarHBondContact O-N 3.12Å; R846-L850 VanDerWaalsContact O-N 3.1Å; L847-L850 PolarHBondContact O-N 3.38Å; Q848-L850 VanDerWaalsContact C-N 3.35Å; L850-S853 PolarHBondContact O-N 3.5Å; L850-T854 HydrophobicContact CD1-CG2 4.48Å; L850-T854 WeakPolarHBondContact O-CG2 3.25Å; L850-T854 PolarHBondContact O-N 3.22Å |
| 851 | E | 94 | Very high | 93.8 | Very high | 125 Ų | 125 | 78.4 Ų | 78.4 | 58% | 0.584 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -57.6 | -51.2 | 176.8 | -178.3 | 170.2 | -159.4 | 0 | 0 | 111.2 | L847 Q848 S853 T854 I855 | L847-E851 PolarHBondContact O-N 3.47Å; Q848-E851 PolarHBondContact O-N 3.26Å; E851-S853 VanDerWaalsContact C-N 3.32Å; E851-S853 PolarHBondContact O-N 3.48Å; E851-T854 PolarHBondContact O-N 2.77Å; E851-T854 VanDerWaalsContact O-N 3.08Å; E851-T854 PolarHBondContact O-OG1 3.36Å; E851-I855 HydrophobicContact CG-CD1 4.08Å; E851-I855 WeakPolarHBondContact O-CG1 3.47Å; E851-I855 PolarHBondContact O-N 2.97Å |
| 852 | Q | 92.5 | Very high | 93.9 | Very high | 95 Ų | 95 | 75.6 Ų | 75.6 | 44% | 0.444 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.9 | -44.5 | 176.3 | 180 | 59.9 | 26.1 | 0 | 0 | 111.6 | Q848 T854 I855 E856 | Q848-Q852 VanDerWaalsContact O-CB 3.32Å; Q848-Q852 WeakPolarHBondContact O-CB 3.33Å; Q848-Q852 PolarHBondContact O-N 2.95Å; Q852-T854 VanDerWaalsContact C-N 3.34Å; Q852-T854 PolarHBondContact O-N 2.93Å; Q852-I855 PolarHBondContact O-N 3.12Å; Q852-E856 WeakPolarHBondContact CG-OE1 3.25Å; Q852-E856 PolarHBondContact NE2-OE1 3.3Å; Q852-E856 WeakPolarHBondContact O-CG 3.39Å; Q852-E856 PolarHBondContact O-N 3.46Å |
| 853 | S | 92.2 | Very high | 93.9 | Very high | 42 Ų | 42 | 78.2 Ų | 78.2 | 29% | 0.294 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 176.1 | -169.5 | 0 | 0 | 0 | 0 | 112.4 | E849 L850 E851 E856 K857 | E849-S853 VanDerWaalsContact O-CB 3.25Å; E849-S853 WeakPolarHBondContact O-CB 3.25Å; E849-S853 PolarHBondContact O-N 2.9Å; L850-S853 PolarHBondContact O-N 3.5Å; E851-S853 VanDerWaalsContact C-N 3.32Å; E851-S853 PolarHBondContact O-N 3.48Å; S853-E856 PolarHBondContact O-N 2.86Å; S853-K857 WeakPolarHBondContact O-CB 3.32Å; S853-K857 WeakPolarHBondContact O-CG 3.4Å; S853-K857 PolarHBondContact O-N 2.65Å; S853-K857 WeakPolarHBondContact OG-CE 3.4Å |
| 854 | T | 92.1 | Very high | 93.9 | Very high | 34 Ų | 34 | 82.1 Ų | 82.1 | 21% | 0.209 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.8 | -36.3 | 176 | 63.8 | 0 | 0 | 0 | 0 | 112.7 | L850 E851 Q852 R858 | L850-T854 HydrophobicContact CD1-CG2 4.48Å; L850-T854 WeakPolarHBondContact O-CG2 3.25Å; L850-T854 PolarHBondContact O-N 3.22Å; E851-T854 PolarHBondContact O-N 2.77Å; E851-T854 VanDerWaalsContact O-N 3.08Å; E851-T854 PolarHBondContact O-OG1 3.36Å; Q852-T854 VanDerWaalsContact C-N 3.34Å; Q852-T854 PolarHBondContact O-N 2.93Å; T854-R858 VanDerWaalsContact O-CB 3.3Å; T854-R858 WeakPolarHBondContact O-CB 3.22Å; T854-R858 PolarHBondContact O-N 3.1Å |
| 855 | I | 93.9 | Very high | 93.9 | Very high | 69 Ų | 69 | 77.1 Ų | 77.1 | 35% | 0.354 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 174.4 | -66.7 | 167 | 0 | 0 | 0 | 110.4 | E851 Q852 R858 N859 | E851-I855 HydrophobicContact CG-CD1 4.08Å; E851-I855 WeakPolarHBondContact O-CG1 3.47Å; E851-I855 PolarHBondContact O-N 2.97Å; Q852-I855 PolarHBondContact O-N 3.12Å; I855-R858 PolarHBondContact O-N 3.34Å; I855-N859 WeakPolarHBondContact O-CB 3.33Å; I855-N859 VanDerWaalsContact O-CG 3.3Å; I855-N859 PolarHBondContact O-N 3.27Å |
| 856 | E | 93.1 | Very high | 94 | Very high | 109 Ų | 109 | 75.2 Ų | 75.2 | 51% | 0.509 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 176.1 | -73.6 | 173 | -171.4 | 0 | 0 | 112.2 | Q852 S853 R858 N859 A860 | Q852-E856 WeakPolarHBondContact CG-OE1 3.25Å; Q852-E856 PolarHBondContact NE2-OE1 3.3Å; Q852-E856 WeakPolarHBondContact O-CG 3.39Å; Q852-E856 PolarHBondContact O-N 3.46Å; S853-E856 PolarHBondContact O-N 2.86Å; E856-R858 VanDerWaalsContact C-N 3.26Å; E856-R858 PolarHBondContact O-N 3Å; E856-N859 PolarHBondContact O-N 2.86Å; E856-A860 WeakPolarHBondContact O-CB 3.49Å; E856-A860 PolarHBondContact O-N 2.89Å |
| 857 | K | 92.6 | Very high | 94.1 | Very high | 69 Ų | 69 | 78.5 Ų | 78.5 | 30% | 0.3 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -55.6 | -41.3 | 174.1 | -71 | 168 | -169.7 | 177.2 | 0 | 111.2 | L755 E762 S853 L861 | L755-K857 HydrophobicContact CD1-CB 3.82Å; L755-K857 HydrophobicContact CD1-CD 4.05Å; L755-K857 HydrophobicContact CD1-CG 4.44Å; L755-K857 HydrophobicContact CD2-CB 4.14Å; E762-K857 IonicContact OE1-NZ 2.68Å; E762-K857 PolarHBondContact OE1-NZ 2.9Å; E762-K857 IonicContact OE2-NZ 3.97Å; E762-K857 PolarHBondContact OE2-NZ 2.7Å; S853-K857 WeakPolarHBondContact O-CB 3.32Å; S853-K857 WeakPolarHBondContact O-CG 3.4Å; S853-K857 PolarHBondContact O-N 2.65Å; S853-K857 WeakPolarHBondContact OG-CE 3.4Å; K857-L861 PolarHBondContact O-N 2.91Å |
| 858 | R | 95 | Very high | 94 | Very high | 156 Ų | 156 | 82 Ų | 82 | 59% | 0.589 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.7 | -46.5 | 179.3 | 180 | -177.6 | 177.3 | 121.5 | -0.5 | 112.3 | L755 T854 I855 E856 L861 I862 | L755-R858 HydrophobicContact CD2-CB 4.34Å; T854-R858 VanDerWaalsContact O-CB 3.3Å; T854-R858 WeakPolarHBondContact O-CB 3.22Å; T854-R858 PolarHBondContact O-N 3.1Å; I855-R858 PolarHBondContact O-N 3.34Å; E856-R858 VanDerWaalsContact C-N 3.26Å; E856-R858 PolarHBondContact O-N 3Å; R858-L861 WeakPolarHBondContact O-CB 3.35Å; R858-L861 PolarHBondContact O-N 2.94Å; R858-I862 HydrophobicContact CG-CD1 4.21Å; R858-I862 WeakPolarHBondContact O-CG1 3.49Å; R858-I862 PolarHBondContact O-N 2.91Å; R858-I862 VanDerWaalsContact O-N 3.14Å |
| 859 | N | 94.5 | Very high | 94.1 | Very high | 80 Ų | 80 | 77.4 Ų | 77.4 | 43% | 0.428 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66 | -44.4 | -179.8 | -69.7 | -14.2 | 0 | 0 | 0 | 110.9 | I855 E856 L861 I862 D863 | I855-N859 WeakPolarHBondContact O-CB 3.33Å; I855-N859 VanDerWaalsContact O-CG 3.3Å; I855-N859 PolarHBondContact O-N 3.27Å; E856-N859 PolarHBondContact O-N 2.86Å; N859-L861 PolarHBondContact O-N 3.47Å; N859-I862 WeakPolarHBondContact O-CB 3.37Å; N859-I862 PolarHBondContact O-N 2.8Å; N859-D863 PolarHBondContact O-N 3.01Å |
| 860 | A | 94.6 | Very high | 94.3 | Very high | 60 Ų | 60 | 78 Ų | 78 | 50% | 0.496 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.7 | -32.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | E856 Q864 | E856-A860 WeakPolarHBondContact O-CB 3.49Å; E856-A860 PolarHBondContact O-N 2.89Å; A860-Q864 WeakPolarHBondContact O-CB 3.45Å; A860-Q864 PolarHBondContact O-N 3.17Å |
| 861 | L | 94.8 | Very high | 94.6 | Very high | 21 Ų | 21 | 80.2 Ų | 80.2 | 11% | 0.11 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -71.2 | -37.4 | 174.5 | -175.9 | 62.8 | 0 | 0 | 0 | 112.4 | F748 K751 R752 L755 K857 R858 N859 Q864 E865 | F748-L861 HydrophobicContact CD1-CD1 3.78Å; F748-L861 HydrophobicContact CD1-CG 4.38Å; F748-L861 HydrophobicContact CE1-CD1 3.88Å; K751-L861 HydrophobicContact CB-CD1 3.96Å; K751-L861 HydrophobicContact CB-CD2 3.99Å; K751-L861 HydrophobicContact CD-CD1 3.84Å; R752-L861 HydrophobicContact CB-CD2 4.48Å; R752-L861 HydrophobicContact CG-CD2 3.75Å; L755-L861 HydrophobicContact CD2-CD2 4.02Å; K857-L861 PolarHBondContact O-N 2.91Å; R858-L861 WeakPolarHBondContact O-CB 3.35Å; R858-L861 PolarHBondContact O-N 2.94Å; N859-L861 PolarHBondContact O-N 3.47Å; L861-Q864 PolarHBondContact O-N 3.03Å; L861-E865 WeakPolarHBondContact O-CB 3.5Å; L861-E865 PolarHBondContact O-N 3.05Å |
| 862 | I | 95.4 | Very high | 94.6 | Very high | 64 Ų | 64 | 74.7 Ų | 74.7 | 33% | 0.328 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.4 | -40.2 | 174.7 | -65.8 | 164.8 | 0 | 0 | 0 | 110.7 | R858 N859 Q864 E865 T866 | R858-I862 HydrophobicContact CG-CD1 4.21Å; R858-I862 WeakPolarHBondContact O-CG1 3.49Å; R858-I862 PolarHBondContact O-N 2.91Å; R858-I862 VanDerWaalsContact O-N 3.14Å; N859-I862 WeakPolarHBondContact O-CB 3.37Å; N859-I862 PolarHBondContact O-N 2.8Å; I862-Q864 VanDerWaalsContact C-N 3.33Å; I862-Q864 PolarHBondContact O-N 2.84Å; I862-E865 PolarHBondContact O-N 3.4Å; I862-T866 HydrophobicContact CG2-CG2 4.44Å; I862-T866 WeakPolarHBondContact O-CG2 3.26Å; I862-T866 PolarHBondContact O-N 2.98Å; I862-T866 PolarHBondContact O-OG1 3.4Å |
| 863 | D | 94.5 | Very high | 94.7 | Very high | 104 Ų | 104 | 72 Ų | 72 | 56% | 0.556 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.9 | -37.9 | 174.2 | -66.2 | -24 | 0 | 0 | 0 | 111.3 | N859 T866 K867 | N859-D863 PolarHBondContact O-N 3.01Å; D863-T866 WeakPolarHBondContact CA-OG1 3.49Å; D863-T866 PolarHBondContact O-OG1 2.86Å; D863-T866 VanDerWaalsContact O-OG1 3.11Å; D863-K867 VanDerWaalsContact O-CB 3.23Å; D863-K867 WeakPolarHBondContact O-CB 3.34Å; D863-K867 PolarHBondContact O-N 3.32Å; D863-K867 VanDerWaalsContact O-N 3.08Å |
| 864 | Q | 95.6 | Very high | 94.9 | Very high | 87 Ų | 87 | 74 Ų | 74 | 41% | 0.407 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 172.6 | -170.8 | -177.2 | 80.9 | 0 | 0 | 111.9 | F748 A860 L861 I862 R868 | F748-Q864 HydrophobicContact CE1-CB 4.13Å; F748-Q864 HydrophobicContact CE1-CG 3.96Å; F748-Q864 HydrophobicContact CZ-CB 4.45Å; F748-Q864 HydrophobicContact CZ-CG 3.94Å; A860-Q864 WeakPolarHBondContact O-CB 3.45Å; A860-Q864 PolarHBondContact O-N 3.17Å; L861-Q864 PolarHBondContact O-N 3.03Å; I862-Q864 VanDerWaalsContact C-N 3.33Å; I862-Q864 PolarHBondContact O-N 2.84Å; Q864-R868 HydrophobicContact CG-CG 4.48Å; Q864-R868 WeakPolarHBondContact O-CB 3.43Å; Q864-R868 VanDerWaalsContact O-CG 3.22Å; Q864-R868 WeakPolarHBondContact O-CG 3.26Å; Q864-R868 PolarHBondContact O-N 2.84Å |
| 865 | E | 95.3 | Very high | 95 | Very high | 22 Ų | 22 | 79 Ų | 79 | 10% | 0.103 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.1 | -52.8 | 178.2 | 179.8 | 172.1 | -162.9 | 0 | 0 | 111.8 | F748 R752 L861 I862 K867 R868 L869 | F748-E865 HydrophobicContact CB-CB 4.39Å; F748-E865 HydrophobicContact CB-CG 3.99Å; F748-E865 HydrophobicContact CD1-CB 3.64Å; F748-E865 HydrophobicContact CD1-CG 4.16Å; F748-E865 HydrophobicContact CD2-CB 4.02Å; F748-E865 HydrophobicContact CD2-CG 3.84Å; F748-E865 HydrophobicContact CE1-CB 3.86Å; F748-E865 HydrophobicContact CE2-CB 4.25Å; F748-E865 HydrophobicContact CE2-CG 4.42Å; F748-E865 HydrophobicContact CG-CB 3.75Å; F748-E865 HydrophobicContact CG-CG 3.72Å; F748-E865 HydrophobicContact CZ-CB 4.17Å; R752-E865 IonicContact CZ-OE1 2.83Å; R752-E865 IonicContact CZ-OE2 3.82Å; R752-E865 IonicContact NH1-OE1 2.65Å; R752-E865 PolarHBondContact NH1-OE1 2.93Å; R752-E865 IonicContact NH1-OE2 3.89Å; R752-E865 PolarHBondContact NH1-OE2 3.43Å; L861-E865 WeakPolarHBondContact O-CB 3.5Å; L861-E865 PolarHBondContact O-N 3.05Å; I862-E865 PolarHBondContact O-N 3.4Å; E865-K867 PolarHBondContact O-N 3.3Å; E865-R868 PolarHBondContact O-N 3.45Å; E865-L869 HydrophobicContact CG-CD1 4Å; E865-L869 WeakPolarHBondContact O-CG 3.32Å; E865-L869 PolarHBondContact O-N 3.33Å |
| 866 | T | 96 | Very high | 95 | Very high | 78 Ų | 78 | 77 Ų | 77 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 179.6 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | I862 D863 L869 Q870 | I862-T866 HydrophobicContact CG2-CG2 4.44Å; I862-T866 WeakPolarHBondContact O-CG2 3.26Å; I862-T866 PolarHBondContact O-N 2.98Å; I862-T866 PolarHBondContact O-OG1 3.4Å; D863-T866 WeakPolarHBondContact CA-OG1 3.49Å; D863-T866 PolarHBondContact O-OG1 2.86Å; D863-T866 VanDerWaalsContact O-OG1 3.11Å; T866-L869 PolarHBondContact O-N 2.99Å; T866-Q870 WeakPolarHBondContact O-CB 3.45Å; T866-Q870 PolarHBondContact O-N 2.89Å |
| 867 | K | 96.4 | Very high | 95 | Very high | 126 Ų | 126 | 77.2 Ų | 77.2 | 55% | 0.548 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 175.8 | -174 | 178.2 | 178.6 | -176 | 0 | 112.4 | D863 E865 L869 Q870 E871 | D863-K867 VanDerWaalsContact O-CB 3.23Å; D863-K867 WeakPolarHBondContact O-CB 3.34Å; D863-K867 PolarHBondContact O-N 3.32Å; D863-K867 VanDerWaalsContact O-N 3.08Å; E865-K867 PolarHBondContact O-N 3.3Å; K867-L869 PolarHBondContact O-N 3.15Å; K867-Q870 PolarHBondContact O-N 2.92Å; K867-E871 WeakPolarHBondContact CE-OE1 3.49Å; K867-E871 WeakPolarHBondContact O-CB 3.27Å; K867-E871 WeakPolarHBondContact O-CG 3.46Å; K867-E871 PolarHBondContact O-N 3.21Å |
| 868 | R | 94.8 | Very high | 95.1 | Very high | 133 Ų | 133 | 77.2 Ų | 77.2 | 50% | 0.502 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 179.2 | -76.3 | -67.4 | -168 | 158.6 | 3.5 | 112.7 | F748 Q864 E865 L872 | F748-R868 HydrophobicContact CE2-CB 3.98Å; F748-R868 HydrophobicContact CE2-CG 4.23Å; F748-R868 HydrophobicContact CZ-CB 4.19Å; F748-R868 HydrophobicContact CZ-CG 4.01Å; Q864-R868 HydrophobicContact CG-CG 4.48Å; Q864-R868 WeakPolarHBondContact O-CB 3.43Å; Q864-R868 VanDerWaalsContact O-CG 3.22Å; Q864-R868 WeakPolarHBondContact O-CG 3.26Å; Q864-R868 PolarHBondContact O-N 2.84Å; E865-R868 PolarHBondContact O-N 3.45Å; R868-L872 WeakPolarHBondContact O-CB 3.47Å; R868-L872 PolarHBondContact O-N 3.46Å |
| 869 | L | 96.9 | Very high | 94.8 | Very high | 18 Ų | 18 | 73.1 Ų | 73.1 | 9% | 0.094 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 173.9 | -68.6 | 170.6 | 0 | 0 | 0 | 111.3 | R741 Q744 L745 E865 T866 K867 L872 D873 | R741-L869 HydrophobicContact CG-CD2 4Å; Q744-L869 HydrophobicContact CB-CD2 4.07Å; L745-L869 HydrophobicContact CD2-CD1 3.79Å; L745-L869 HydrophobicContact CD2-CD2 4.38Å; L745-L869 HydrophobicContact CG-CD2 4.28Å; E865-L869 HydrophobicContact CG-CD1 4Å; E865-L869 WeakPolarHBondContact O-CG 3.32Å; E865-L869 PolarHBondContact O-N 3.33Å; T866-L869 PolarHBondContact O-N 2.99Å; K867-L869 PolarHBondContact O-N 3.15Å; L869-L872 PolarHBondContact O-N 2.99Å; L869-D873 WeakPolarHBondContact O-CB 3.37Å; L869-D873 PolarHBondContact O-N 3.3Å |
| 870 | Q | 96.2 | Very high | 94.7 | Very high | 118 Ų | 118 | 71 Ų | 71 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.4 | -41.4 | 175.5 | -170 | -176.7 | 13.5 | 0 | 0 | 112.2 | T866 K867 D873 N874 | T866-Q870 WeakPolarHBondContact O-CB 3.45Å; T866-Q870 PolarHBondContact O-N 2.89Å; K867-Q870 PolarHBondContact O-N 2.92Å; Q870-D873 PolarHBondContact O-N 3.44Å; Q870-N874 VanDerWaalsContact O-CB 3.25Å; Q870-N874 WeakPolarHBondContact O-CB 3.47Å; Q870-N874 PolarHBondContact O-N 2.87Å; Q870-N874 PolarHBondContact O-ND2 3.12Å |
| 871 | E | 95.5 | Very high | 94.5 | Very high | 75 Ų | 75 | 74 Ų | 74 | 35% | 0.35 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 173.7 | -75.1 | 169.4 | -176.5 | 0 | 0 | 112.1 | K867 R875 | K867-E871 WeakPolarHBondContact CE-OE1 3.49Å; K867-E871 WeakPolarHBondContact O-CB 3.27Å; K867-E871 WeakPolarHBondContact O-CG 3.46Å; K867-E871 PolarHBondContact O-N 3.21Å; E871-R875 WeakPolarHBondContact O-CG 3.42Å; E871-R875 PolarHBondContact O-N 2.82Å |
| 872 | L | 94.5 | Very high | 94.1 | Very high | 8 Ų | 8 | 76.7 Ų | 76.7 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 175.4 | 179.3 | 68.1 | 0 | 0 | 0 | 111.8 | D740 R741 Q744 R868 L869 N874 R875 H876 | D740-L872 HydrophobicContact CB-CD1 4.04Å; D740-L872 HydrophobicContact CB-CD2 4.24Å; R741-L872 VanDerWaalsContact CA-CD2 3.48Å; R741-L872 HydrophobicContact CB-CD2 3.89Å; R741-L872 HydrophobicContact CG-CD2 4.42Å; Q744-L872 HydrophobicContact CG-CD2 4.28Å; R868-L872 WeakPolarHBondContact O-CB 3.47Å; R868-L872 PolarHBondContact O-N 3.46Å; L869-L872 PolarHBondContact O-N 2.99Å; L872-N874 VanDerWaalsContact C-N 3.34Å; L872-N874 PolarHBondContact O-N 3.19Å; L872-R875 VanDerWaalsContact CD1-NH2 3.33Å; L872-R875 PolarHBondContact O-N 3.14Å; L872-H876 PolarHBondContact O-N 3.15Å |
| 873 | D | 95.6 | Very high | 93.6 | Very high | 39 Ų | 39 | 75.8 Ų | 75.8 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 178.5 | -68.5 | -10.6 | 0 | 0 | 0 | 111.1 | H737 R741 L869 Q870 H876 Q877 | H737-D873 IonicContact CE1-OD1 3.05Å; H737-D873 PolarHBondContact CE1-OD1 3.29Å; H737-D873 IonicContact NE2-OD1 2.72Å; H737-D873 PolarHBondContact NE2-OD1 2.97Å; R741-D873 IonicContact CZ-OD1 3.82Å; R741-D873 IonicContact CZ-OD2 2.64Å; R741-D873 IonicContact NH1-OD1 3.34Å; R741-D873 PolarHBondContact NH1-OD1 3.43Å; R741-D873 IonicContact NH1-OD2 2.69Å; R741-D873 PolarHBondContact NH1-OD2 3.01Å; L869-D873 WeakPolarHBondContact O-CB 3.37Å; L869-D873 PolarHBondContact O-N 3.3Å; Q870-D873 PolarHBondContact O-N 3.44Å; D873-H876 PolarHBondContact O-N 3.35Å; D873-Q877 WeakPolarHBondContact O-CB 3.46Å; D873-Q877 VanDerWaalsContact O-CG 3.28Å; D873-Q877 WeakPolarHBondContact O-CG 3.09Å; D873-Q877 PolarHBondContact O-N 3.04Å |
| 874 | N | 96 | Very high | 93.1 | Very high | 85 Ų | 85 | 74.2 Ų | 74.2 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 176.4 | -74.7 | -19.6 | 0 | 0 | 0 | 112.3 | Q870 L872 Q877 N878 | Q870-N874 VanDerWaalsContact O-CB 3.25Å; Q870-N874 WeakPolarHBondContact O-CB 3.47Å; Q870-N874 PolarHBondContact O-N 2.87Å; Q870-N874 PolarHBondContact O-ND2 3.12Å; L872-N874 VanDerWaalsContact C-N 3.34Å; L872-N874 PolarHBondContact O-N 3.19Å; N874-Q877 PolarHBondContact O-N 3.18Å; N874-N878 WeakPolarHBondContact O-CB 3.41Å; N874-N878 PolarHBondContact O-N 2.85Å |
| 875 | R | 93 | Very high | 92.8 | Very high | 138 Ų | 138 | 76 Ų | 76 | 52% | 0.521 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 174 | -76.8 | -170 | -61.9 | 129.4 | -4.6 | 111 | E871 L872 Q877 N878 E879 | E871-R875 WeakPolarHBondContact O-CG 3.42Å; E871-R875 PolarHBondContact O-N 2.82Å; L872-R875 VanDerWaalsContact CD1-NH2 3.33Å; L872-R875 PolarHBondContact O-N 3.14Å; R875-Q877 PolarHBondContact O-N 2.93Å; R875-N878 WeakPolarHBondContact O-CB 3.47Å; R875-N878 PolarHBondContact O-N 3.01Å; R875-N878 VanDerWaalsContact O-N 3.12Å; R875-E879 WeakPolarHBondContact O-CG 3.47Å; R875-E879 PolarHBondContact O-N 2.84Å |
| 876 | H | 94.5 | Very high | 92.4 | Very high | 28 Ų | 28 | 76.3 Ų | 76.3 | 13% | 0.13 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 176.7 | 178.1 | 57.4 | 0 | 0 | 0 | 112.1 | H737 L872 D873 N878 E879 M880 | H737-H876 HydrophobicContact CB-CB 4.19Å; H737-H876 WeakPolarHBondContact CB-ND1 3.44Å; H737-H876 AromaticContact CD2-CD2 3.2Å; H737-H876 PolarHBondContact CD2-CD2 3.28Å; H737-H876 AromaticContact CD2-CG 3.58Å; H737-H876 AromaticContact CD2-NE2 3.64Å; H737-H876 AromaticContact CG-CD2 3.48Å; H737-H876 VanDerWaalsContact CG-CD2 3.48Å; H737-H876 AromaticContact CG-CG 3.32Å; H737-H876 AromaticContact CG-ND1 3.71Å; H737-H876 AromaticContact CG-NE2 3.96Å; H737-H876 WeakPolarHBondContact ND1-CB 3.46Å; H737-H876 AromaticContact ND1-CG 3.67Å; H737-H876 AromaticContact NE2-CD2 3.65Å; L872-H876 PolarHBondContact O-N 3.15Å; D873-H876 PolarHBondContact O-N 3.35Å; H876-N878 VanDerWaalsContact C-N 3.26Å; H876-N878 PolarHBondContact O-N 3.33Å; H876-E879 PolarHBondContact O-N 3.04Å; H876-M880 WeakPolarHBondContact CE1-CG 3.34Å; H876-M880 VanDerWaalsContact CE1-SD 3.51Å; H876-M880 WeakPolarHBondContact O-CB 3.25Å; H876-M880 WeakPolarHBondContact O-CG 3.21Å; H876-M880 PolarHBondContact O-N 3.23Å |
| 877 | Q | 94 | Very high | 91.9 | Very high | 112 Ų | 112 | 73.5 Ų | 73.5 | 52% | 0.523 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.7 | -37.1 | 175.3 | -74.5 | 176.3 | 29.9 | 0 | 0 | 112.7 | D873 N874 R875 R881 | D873-Q877 WeakPolarHBondContact O-CB 3.46Å; D873-Q877 VanDerWaalsContact O-CG 3.28Å; D873-Q877 WeakPolarHBondContact O-CG 3.09Å; D873-Q877 PolarHBondContact O-N 3.04Å; N874-Q877 PolarHBondContact O-N 3.18Å; R875-Q877 PolarHBondContact O-N 2.93Å; Q877-R881 WeakPolarHBondContact O-CB 3.4Å; Q877-R881 PolarHBondContact O-N 3.27Å |
| 878 | N | 93 | Very high | 91.5 | Very high | 69 Ų | 69 | 71.5 Ų | 71.5 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70 | -44.3 | 176.7 | -171.6 | 63.4 | 0 | 0 | 0 | 112.3 | N874 R875 H876 R881 I882 | N874-N878 WeakPolarHBondContact O-CB 3.41Å; N874-N878 PolarHBondContact O-N 2.85Å; R875-N878 WeakPolarHBondContact O-CB 3.47Å; R875-N878 PolarHBondContact O-N 3.01Å; R875-N878 VanDerWaalsContact O-N 3.12Å; H876-N878 VanDerWaalsContact C-N 3.26Å; H876-N878 PolarHBondContact O-N 3.33Å; N878-R881 WeakPolarHBondContact O-CB 3.45Å; N878-R881 PolarHBondContact O-N 3.35Å; N878-R881 PolarHBondContact OD1-NH1 3.25Å; N878-I882 WeakPolarHBondContact O-CG1 3.5Å; N878-I882 PolarHBondContact O-N 3.44Å |
| 879 | E | 90.2 | Very high | 91.2 | Very high | 71 Ų | 71 | 74.1 Ų | 74.1 | 33% | 0.332 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.8 | -49.7 | 173.4 | -70.7 | 165.9 | -166.4 | 0 | 0 | 110.6 | L733 R875 H876 R881 I882 Y883 | L733-E879 HydrophobicContact CD2-CB 4.3Å; R875-E879 WeakPolarHBondContact O-CG 3.47Å; R875-E879 PolarHBondContact O-N 2.84Å; H876-E879 PolarHBondContact O-N 3.04Å; E879-R881 VanDerWaalsContact C-N 3.29Å; E879-R881 PolarHBondContact O-N 3.4Å; E879-I882 PolarHBondContact O-N 3.35Å; E879-I882 VanDerWaalsContact O-N 3.16Å; E879-Y883 WeakPolarHBondContact O-CD2 3.29Å; E879-Y883 PolarHBondContact O-N 2.98Å |
| 880 | M | 91.3 | Very high | 90.7 | Very high | 34 Ų | 34 | 74.4 Ų | 74.4 | 17% | 0.167 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.8 | -35.9 | 178 | -66.4 | -65.2 | -80.7 | 0 | 0 | 112.5 | H730 L733 H876 S884 | H730-M880 VanDerWaalsContact CE1-CE 3.42Å; H730-M880 WeakPolarHBondContact CE1-CE 3.31Å; H730-M880 VanDerWaalsContact NE2-CE 3.25Å; H730-M880 WeakPolarHBondContact NE2-CE 3.45Å; L733-M880 HydrophobicContact CB-SD 4.38Å; L733-M880 HydrophobicContact CD2-CG 4.48Å; L733-M880 HydrophobicContact CD2-SD 3.56Å; L733-M880 VanDerWaalsContact CD2-SD 3.56Å; L733-M880 HydrophobicContact CG-SD 3.9Å; H876-M880 WeakPolarHBondContact CE1-CG 3.34Å; H876-M880 VanDerWaalsContact CE1-SD 3.51Å; H876-M880 WeakPolarHBondContact O-CB 3.25Å; H876-M880 WeakPolarHBondContact O-CG 3.21Å; H876-M880 PolarHBondContact O-N 3.23Å; M880-S884 VanDerWaalsContact O-CB 3.25Å; M880-S884 WeakPolarHBondContact O-CB 3.43Å; M880-S884 PolarHBondContact O-N 3.49Å |
| 881 | R | 90.3 | Very high | 90.3 | Very high | 123 Ų | 123 | 71.2 Ų | 71.2 | 46% | 0.464 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.1 | -52.1 | 172.2 | -174.6 | -171 | -55.7 | 119.2 | 3.3 | 111.3 | Q877 N878 E879 Y883 S884 E885 | Q877-R881 WeakPolarHBondContact O-CB 3.4Å; Q877-R881 PolarHBondContact O-N 3.27Å; N878-R881 WeakPolarHBondContact O-CB 3.45Å; N878-R881 PolarHBondContact O-N 3.35Å; N878-R881 PolarHBondContact OD1-NH1 3.25Å; E879-R881 VanDerWaalsContact C-N 3.29Å; E879-R881 PolarHBondContact O-N 3.4Å; R881-Y883 VanDerWaalsContact C-N 3.31Å; R881-Y883 PolarHBondContact O-N 3.48Å; R881-S884 WeakPolarHBondContact O-CB 3.38Å; R881-S884 PolarHBondContact O-N 2.78Å; R881-S884 VanDerWaalsContact O-N 3.13Å; R881-E885 VanDerWaalsContact CG-OE1 3.32Å; R881-E885 WeakPolarHBondContact CG-OE1 3.16Å; R881-E885 WeakPolarHBondContact O-CG 3.1Å; R881-E885 PolarHBondContact O-N 3Å |
| 882 | I | 87.2 | Confident | 90 | Very high | 78 Ų | 78 | 70.4 Ų | 70.4 | 40% | 0.4 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 178.3 | -66.6 | 164.4 | 0 | 0 | 0 | 110.5 | N878 E879 E885 S886 | N878-I882 WeakPolarHBondContact O-CG1 3.5Å; N878-I882 PolarHBondContact O-N 3.44Å; E879-I882 PolarHBondContact O-N 3.35Å; E879-I882 VanDerWaalsContact O-N 3.16Å; I882-E885 PolarHBondContact O-N 3.07Å; I882-S886 WeakPolarHBondContact O-CB 3.42Å; I882-S886 PolarHBondContact O-N 3.08Å |
| 883 | Y | 84.2 | Confident | 89.8 | Confident | 45 Ų | 45 | 74.3 Ų | 74.3 | 18% | 0.176 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 175.1 | -91.9 | -87.1 | 0 | 0 | 0 | 112.2 | W726 E729 L733 E879 R881 E885 S886 | W726-Y883 PolarHBondContact NE1-O 3.17Å; E729-Y883 HydrophobicContact CB-CE1 4.32Å; L733-Y883 HydrophobicContact CD2-CD2 3.47Å; L733-Y883 VanDerWaalsContact CD2-CD2 3.47Å; L733-Y883 HydrophobicContact CD2-CE2 3.7Å; L733-Y883 HydrophobicContact CD2-CG 4.05Å; E879-Y883 WeakPolarHBondContact O-CD2 3.29Å; E879-Y883 PolarHBondContact O-N 2.98Å; R881-Y883 VanDerWaalsContact C-N 3.31Å; R881-Y883 PolarHBondContact O-N 3.48Å; Y883-E885 PolarHBondContact O-N 3.45Å; Y883-S886 PolarHBondContact O-N 2.98Å; Y883-S886 PolarHBondContact O-OG 2.92Å |
| 884 | S | 85.1 | Confident | 89.4 | Confident | 72 Ų | 72 | 74.4 Ų | 74.4 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.4 | -36.4 | 177.5 | -172.5 | 0 | 0 | 0 | 0 | 113.2 | M880 R881 P888 | M880-S884 VanDerWaalsContact O-CB 3.25Å; M880-S884 WeakPolarHBondContact O-CB 3.43Å; M880-S884 PolarHBondContact O-N 3.49Å; R881-S884 WeakPolarHBondContact O-CB 3.38Å; R881-S884 PolarHBondContact O-N 2.78Å; R881-S884 VanDerWaalsContact O-N 3.13Å; S884-P888 WeakPolarHBondContact O-CD 3.4Å |
| 885 | E | 88 | Confident | 89.1 | Confident | 125 Ų | 125 | 76.6 Ų | 76.6 | 58% | 0.584 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -76.7 | -26.3 | 176.9 | -70.2 | 172.7 | -165.6 | 0 | 0 | 112.5 | R881 I882 Y883 | R881-E885 VanDerWaalsContact CG-OE1 3.32Å; R881-E885 WeakPolarHBondContact CG-OE1 3.16Å; R881-E885 WeakPolarHBondContact O-CG 3.1Å; R881-E885 PolarHBondContact O-N 3Å; I882-E885 PolarHBondContact O-N 3.07Å; Y883-E885 PolarHBondContact O-N 3.45Å |
| 886 | S | 87 | Confident | 88.8 | Confident | 28 Ų | 28 | 75.2 Ų | 75.2 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.4 | -43 | -176.8 | 75.4 | 0 | 0 | 0 | 0 | 114.1 | I882 Y883 R889 I890 | I882-S886 WeakPolarHBondContact O-CB 3.42Å; I882-S886 PolarHBondContact O-N 3.08Å; Y883-S886 PolarHBondContact O-N 2.98Å; Y883-S886 PolarHBondContact O-OG 2.92Å; S886-R889 WeakPolarHBondContact O-CB 3.33Å; S886-R889 PolarHBondContact O-N 3.35Å; S886-I890 VanDerWaalsContact O-CG1 3.31Å; S886-I890 WeakPolarHBondContact O-CG1 3.35Å; S886-I890 PolarHBondContact O-N 3.12Å |
| 887 | L | 86 | Confident | 88.3 | Confident | 18 Ų | 18 | 79 Ų | 79 | 9% | 0.094 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.5 | -45.3 | -173.9 | -179.3 | 66 | 0 | 0 | 0 | 113.3 | E722 W726 R889 I890 K891 | E722-L887 HydrophobicContact CG-CD1 4.38Å; W726-L887 HydrophobicContact CB-CD1 4.03Å; W726-L887 HydrophobicContact CB-CD2 4.19Å; W726-L887 HydrophobicContact CD2-CB 4.13Å; W726-L887 HydrophobicContact CD2-CD2 3.69Å; W726-L887 HydrophobicContact CD2-CG 4.4Å; W726-L887 HydrophobicContact CE3-CD2 3.81Å; W726-L887 HydrophobicContact CG-CB 4Å; W726-L887 HydrophobicContact CG-CD1 4.12Å; W726-L887 HydrophobicContact CG-CD2 3.86Å; W726-L887 HydrophobicContact CG-CG 4.2Å; W726-L887 HydrophobicContact CZ3-CD2 4.49Å; L887-R889 VanDerWaalsContact C-N 3.27Å; L887-R889 PolarHBondContact O-N 2.96Å; L887-I890 PolarHBondContact O-N 3.38Å; L887-K891 HydrophobicContact CD1-CD 4.32Å; L887-K891 HydrophobicContact CD1-CG 4.16Å; L887-K891 HydrophobicContact CG-CD 4.22Å; L887-K891 HydrophobicContact CG-CG 4.42Å; L887-K891 WeakPolarHBondContact O-CB 3.19Å; L887-K891 WeakPolarHBondContact O-CG 3.15Å; L887-K891 PolarHBondContact O-N 3.23Å |
| 888 | P | 88.4 | Confident | 88 | Confident | 84 Ų | 84 | 74.9 Ų | 74.9 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.1 | -40.3 | 173.6 | -25.9 | 35.4 | 0 | 0 | 0 | 112.7 | S884 K891 A892 | S884-P888 WeakPolarHBondContact O-CD 3.4Å; P888-K891 PolarHBondContact O-N 3.25Å; P888-A892 WeakPolarHBondContact O-CB 3.49Å; P888-A892 PolarHBondContact O-N 3.19Å |
| 889 | R | 87.4 | Confident | 87.6 | Confident | 188 Ų | 188 | 73.8 Ų | 73.8 | 71% | 0.709 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.1 | -43.8 | 177.9 | -172.9 | -179.7 | 179 | -161.7 | 0.1 | 112 | S886 L887 A892 L893 | S886-R889 WeakPolarHBondContact O-CB 3.33Å; S886-R889 PolarHBondContact O-N 3.35Å; L887-R889 VanDerWaalsContact C-N 3.27Å; L887-R889 PolarHBondContact O-N 2.96Å; R889-A892 PolarHBondContact O-N 3.49Å; R889-L893 HydrophobicContact CG-CD1 4.49Å; R889-L893 WeakPolarHBondContact O-CG 3.46Å; R889-L893 PolarHBondContact O-N 3.15Å |
| 890 | I | 86.6 | Confident | 87.2 | Confident | 24 Ų | 24 | 75 Ų | 75 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 175.7 | -65.2 | 161.9 | 0 | 0 | 0 | 110.3 | E722 S886 L887 A892 L893 M894 | E722-I890 HydrophobicContact CG-CG2 3.84Å; S886-I890 VanDerWaalsContact O-CG1 3.31Å; S886-I890 WeakPolarHBondContact O-CG1 3.35Å; S886-I890 PolarHBondContact O-N 3.12Å; L887-I890 PolarHBondContact O-N 3.38Å; I890-A892 VanDerWaalsContact C-N 3.3Å; I890-A892 PolarHBondContact O-N 3.36Å; I890-L893 PolarHBondContact O-N 2.93Å; I890-M894 HydrophobicContact CG2-CE 3.76Å; I890-M894 HydrophobicContact CG2-CG 4.39Å; I890-M894 HydrophobicContact CG2-SD 4.09Å; I890-M894 WeakPolarHBondContact O-CG 3.47Å; I890-M894 PolarHBondContact O-N 3.43Å |
| 891 | K | 88.5 | Confident | 86.6 | Confident | 52 Ų | 52 | 76.6 Ų | 76.6 | 23% | 0.226 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.6 | -35.2 | 176.2 | -74.2 | -175.5 | 170.2 | -174.5 | 0 | 112.9 | L719 E723 L887 P888 K895 | L719-K891 HydrophobicContact CD2-CB 4.43Å; L719-K891 HydrophobicContact CD2-CG 4.14Å; E723-K891 IonicContact OE2-NZ 3.27Å; E723-K891 PolarHBondContact OE2-NZ 3.32Å; L887-K891 HydrophobicContact CD1-CD 4.32Å; L887-K891 HydrophobicContact CD1-CG 4.16Å; L887-K891 HydrophobicContact CG-CD 4.22Å; L887-K891 HydrophobicContact CG-CG 4.42Å; L887-K891 WeakPolarHBondContact O-CB 3.19Å; L887-K891 WeakPolarHBondContact O-CG 3.15Å; L887-K891 PolarHBondContact O-N 3.23Å; P888-K891 PolarHBondContact O-N 3.25Å; K891-K895 VanDerWaalsContact O-CG 3.3Å; K891-K895 WeakPolarHBondContact O-CG 3.31Å; K891-K895 PolarHBondContact O-N 2.6Å; K891-K895 VanDerWaalsContact O-N 3.09Å |
| 892 | A | 89.3 | Confident | 86.2 | Confident | 58 Ų | 58 | 75.3 Ų | 75.3 | 48% | 0.479 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.8 | -48.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | P888 R889 I890 M894 K895 E896 | P888-A892 WeakPolarHBondContact O-CB 3.49Å; P888-A892 PolarHBondContact O-N 3.19Å; R889-A892 PolarHBondContact O-N 3.49Å; I890-A892 VanDerWaalsContact C-N 3.3Å; I890-A892 PolarHBondContact O-N 3.36Å; A892-M894 PolarHBondContact O-N 3.48Å; A892-K895 WeakPolarHBondContact O-CB 3.48Å; A892-K895 PolarHBondContact O-N 3.26Å; A892-K895 VanDerWaalsContact O-N 3.16Å; A892-E896 PolarHBondContact O-N 3.17Å |
| 893 | L | 90.2 | Very high | 85.7 | Confident | 89 Ų | 89 | 78.9 Ų | 78.9 | 47% | 0.466 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 176.5 | -69.7 | 168.5 | 0 | 0 | 0 | 112.2 | R889 I890 K895 E896 Q897 | R889-L893 HydrophobicContact CG-CD1 4.49Å; R889-L893 WeakPolarHBondContact O-CG 3.46Å; R889-L893 PolarHBondContact O-N 3.15Å; I890-L893 PolarHBondContact O-N 2.93Å; L893-K895 VanDerWaalsContact C-N 3.32Å; L893-K895 PolarHBondContact O-N 2.9Å; L893-E896 PolarHBondContact O-N 3.41Å; L893-Q897 WeakPolarHBondContact O-CB 3.2Å; L893-Q897 WeakPolarHBondContact O-CG 3.5Å; L893-Q897 PolarHBondContact O-N 3.14Å |
| 894 | M | 87.8 | Confident | 85.3 | Confident | 41 Ų | 41 | 82.1 Ų | 82.1 | 20% | 0.202 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.6 | -33.5 | 175.6 | -73.1 | -178.5 | 172.8 | 0 | 0 | 112.8 | H715 L719 E722 I890 A892 F898 | H715-M894 PolarHBondContact NE2-O 3.27Å; L719-M894 HydrophobicContact CD2-CB 3.96Å; L719-M894 HydrophobicContact CD2-SD 4.05Å; E722-M894 HydrophobicContact CB-CE 3.93Å; E722-M894 HydrophobicContact CB-SD 4.24Å; E722-M894 HydrophobicContact CG-CE 3.79Å; E722-M894 HydrophobicContact CG-SD 4.36Å; I890-M894 HydrophobicContact CG2-CE 3.76Å; I890-M894 HydrophobicContact CG2-CG 4.39Å; I890-M894 HydrophobicContact CG2-SD 4.09Å; I890-M894 WeakPolarHBondContact O-CG 3.47Å; I890-M894 PolarHBondContact O-N 3.43Å; A892-M894 PolarHBondContact O-N 3.48Å; M894-F898 WeakPolarHBondContact O-CB 3.27Å; M894-F898 PolarHBondContact O-N 2.94Å; M894-F898 VanDerWaalsContact O-N 3.12Å |
| 895 | K | 89 | Confident | 84.5 | Confident | 132 Ų | 132 | 80.6 Ų | 80.6 | 57% | 0.574 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -70.7 | -38.4 | 173 | -76.4 | 174.1 | 179.1 | -174.3 | 0 | 111.9 | K891 A892 L893 A899 | K891-K895 VanDerWaalsContact O-CG 3.3Å; K891-K895 WeakPolarHBondContact O-CG 3.31Å; K891-K895 PolarHBondContact O-N 2.6Å; K891-K895 VanDerWaalsContact O-N 3.09Å; A892-K895 WeakPolarHBondContact O-CB 3.48Å; A892-K895 PolarHBondContact O-N 3.26Å; A892-K895 VanDerWaalsContact O-N 3.16Å; L893-K895 VanDerWaalsContact C-N 3.32Å; L893-K895 PolarHBondContact O-N 2.9Å; K895-A899 WeakPolarHBondContact O-CB 3.46Å; K895-A899 PolarHBondContact O-N 3.28Å |
| 896 | E | 87.7 | Confident | 83.4 | Confident | 109 Ų | 109 | 77.8 Ų | 77.8 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.5 | -47.5 | 176 | -170.3 | -176.9 | 173.2 | 0 | 0 | 111.6 | A892 L893 F898 A899 Q900 | A892-E896 PolarHBondContact O-N 3.17Å; L893-E896 PolarHBondContact O-N 3.41Å; E896-F898 VanDerWaalsContact C-N 3.3Å; E896-F898 PolarHBondContact O-N 3.36Å; E896-A899 WeakPolarHBondContact O-CB 3.32Å; E896-A899 PolarHBondContact O-N 3.01Å; E896-A899 VanDerWaalsContact O-N 3.11Å; E896-Q900 WeakPolarHBondContact O-CG 3.46Å; E896-Q900 PolarHBondContact O-N 3.22Å; E896-Q900 PolarHBondContact OE1-NE2 3.37Å |
| 897 | Q | 83.7 | Confident | 82 | Confident | 107 Ų | 107 | 83 Ų | 83 | 50% | 0.5 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56.4 | -44.2 | 174.5 | -75.6 | 177.5 | -21.8 | 0 | 0 | 111.7 | L893 A899 Q900 E901 | L893-Q897 WeakPolarHBondContact O-CB 3.2Å; L893-Q897 WeakPolarHBondContact O-CG 3.5Å; L893-Q897 PolarHBondContact O-N 3.14Å; Q897-A899 PolarHBondContact O-N 3.43Å; Q897-Q900 WeakPolarHBondContact O-CA 3.42Å; Q897-Q900 WeakPolarHBondContact O-CB 3.35Å; Q897-Q900 PolarHBondContact O-N 3.31Å; Q897-Q900 VanDerWaalsContact O-N 3.1Å; Q897-E901 PolarHBondContact O-N 3.27Å |
| 898 | F | 87.2 | Confident | 80.8 | Confident | 26 Ų | 26 | 87.1 Ų | 87.1 | 11% | 0.114 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 175.1 | 179.2 | -110.4 | 0 | 0 | 0 | 113 | L711 N712 H715 M894 E896 Q900 E901 Y902 | L711-F898 HydrophobicContact CB-CE2 3.97Å; L711-F898 HydrophobicContact CB-CZ 4.37Å; L711-F898 VanDerWaalsContact O-CE2 3.31Å; L711-F898 WeakPolarHBondContact O-CE2 3.06Å; N712-F898 WeakPolarHBondContact OD1-CZ 3.21Å; H715-F898 HydrophobicContact CB-CD2 3.58Å; H715-F898 HydrophobicContact CB-CE2 3.65Å; H715-F898 HydrophobicContact CB-CG 4.03Å; H715-F898 HydrophobicContact CB-CZ 4.17Å; H715-F898 WeakPolarHBondContact CD2-CB 3.42Å; H715-F898 AromaticContact CD2-CD2 3.77Å; H715-F898 AromaticContact CD2-CG 3.59Å; H715-F898 AromaticContact CE1-CG 3.97Å; H715-F898 AromaticContact CG-CD2 3.65Å; H715-F898 AromaticContact CG-CG 3.58Å; H715-F898 AromaticContact ND1-CD1 3.9Å; H715-F898 AromaticContact ND1-CG 3.87Å; H715-F898 VanDerWaalsContact NE2-CB 3.32Å; H715-F898 WeakPolarHBondContact NE2-CB 3.4Å; H715-F898 AromaticContact NE2-CG 3.82Å; M894-F898 WeakPolarHBondContact O-CB 3.27Å; M894-F898 PolarHBondContact O-N 2.94Å; M894-F898 VanDerWaalsContact O-N 3.12Å; E896-F898 VanDerWaalsContact C-N 3.3Å; E896-F898 PolarHBondContact O-N 3.36Å; F898-Q900 PolarHBondContact O-N 2.76Å; F898-E901 PolarHBondContact O-N 3.25Å; F898-Y902 HydrophobicContact CE1-CD2 4.47Å; F898-Y902 HydrophobicContact CZ-CD2 4Å; F898-Y902 VanDerWaalsContact O-CB 3.24Å; F898-Y902 WeakPolarHBondContact O-CB 3.41Å; F898-Y902 PolarHBondContact O-N 2.89Å |
| 899 | A | 85.2 | Confident | 79.2 | Confident | 45 Ų | 45 | 84.2 Ų | 84.2 | 37% | 0.372 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.2 | -24.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K895 E896 Q897 K903 | K895-A899 WeakPolarHBondContact O-CB 3.46Å; K895-A899 PolarHBondContact O-N 3.28Å; E896-A899 WeakPolarHBondContact O-CB 3.32Å; E896-A899 PolarHBondContact O-N 3.01Å; E896-A899 VanDerWaalsContact O-N 3.11Å; Q897-A899 PolarHBondContact O-N 3.43Å; A899-K903 WeakPolarHBondContact O-CD 3.4Å; A899-K903 WeakPolarHBondContact O-CG 3.47Å; A899-K903 PolarHBondContact O-N 2.69Å |
| 900 | Q | 82.1 | Confident | 77.4 | Confident | 97 Ų | 97 | 81.1 Ų | 81.1 | 45% | 0.453 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -78 | -51.2 | 171 | -65.5 | 173.5 | 15 | 0 | 0 | 111.3 | E896 Q897 F898 Y902 K903 E904 | E896-Q900 WeakPolarHBondContact O-CG 3.46Å; E896-Q900 PolarHBondContact O-N 3.22Å; E896-Q900 PolarHBondContact OE1-NE2 3.37Å; Q897-Q900 WeakPolarHBondContact O-CA 3.42Å; Q897-Q900 WeakPolarHBondContact O-CB 3.35Å; Q897-Q900 PolarHBondContact O-N 3.31Å; Q897-Q900 VanDerWaalsContact O-N 3.1Å; F898-Q900 PolarHBondContact O-N 2.76Å; Q900-Y902 VanDerWaalsContact C-N 3.28Å; Q900-Y902 PolarHBondContact O-N 3.38Å; Q900-K903 PolarHBondContact O-N 3.04Å; Q900-K903 VanDerWaalsContact O-N 3.08Å; Q900-E904 PolarHBondContact O-N 3.12Å |
| 901 | E | 78.7 | Confident | 75.5 | Confident | 68 Ų | 68 | 83 Ų | 83 | 32% | 0.318 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -51.4 | -47.5 | 174.7 | -73 | 179.9 | 160.3 | 0 | 0 | 110.9 | R718 Q897 F898 K903 E904 D905 | R718-E901 IonicContact CZ-OE1 2.72Å; R718-E901 IonicContact NH1-OE1 3.31Å; R718-E901 PolarHBondContact NH1-OE1 2.92Å; R718-E901 IonicContact NH1-OE2 2.7Å; R718-E901 PolarHBondContact NH1-OE2 3.09Å; R718-E901 IonicContact NH2-OE1 3.78Å; Q897-E901 PolarHBondContact O-N 3.27Å; F898-E901 PolarHBondContact O-N 3.25Å; E901-K903 PolarHBondContact O-N 3.36Å; E901-E904 PolarHBondContact O-N 2.75Å; E901-D905 PolarHBondContact O-N 2.78Å |
| 902 | Y | 80.1 | Confident | 73.5 | Confident | 95 Ų | 95 | 87.9 Ų | 87.9 | 37% | 0.373 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.6 | -37 | 179.6 | -161.8 | -84.8 | 0 | 0 | 0 | 112.9 | S708 L711 F898 Q900 S906 | S708-Y902 WeakPolarHBondContact CB-OH 3.38Å; S708-Y902 WeakPolarHBondContact OG-CE2 3.48Å; S708-Y902 PolarHBondContact OG-OH 3.42Å; L711-Y902 HydrophobicContact CD1-CD2 4.07Å; F898-Y902 HydrophobicContact CE1-CD2 4.47Å; F898-Y902 HydrophobicContact CZ-CD2 4Å; F898-Y902 VanDerWaalsContact O-CB 3.24Å; F898-Y902 WeakPolarHBondContact O-CB 3.41Å; F898-Y902 PolarHBondContact O-N 2.89Å; Q900-Y902 VanDerWaalsContact C-N 3.28Å; Q900-Y902 PolarHBondContact O-N 3.38Å; Y902-S906 WeakPolarHBondContact O-CB 3.24Å; Y902-S906 PolarHBondContact O-N 3.07Å |
| 903 | K | 78.3 | Confident | 71.3 | Confident | 154 Ų | 154 | 87.9 Ų | 87.9 | 67% | 0.67 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -69.1 | -44 | 173.8 | -78.2 | 172.6 | -172.8 | 178.7 | 0 | 111.6 | A899 Q900 E901 S906 F907 | A899-K903 WeakPolarHBondContact O-CD 3.4Å; A899-K903 WeakPolarHBondContact O-CG 3.47Å; A899-K903 PolarHBondContact O-N 2.69Å; Q900-K903 PolarHBondContact O-N 3.04Å; Q900-K903 VanDerWaalsContact O-N 3.08Å; E901-K903 PolarHBondContact O-N 3.36Å; K903-S906 PolarHBondContact O-N 3.47Å; K903-F907 WeakPolarHBondContact O-CB 3.11Å; K903-F907 PolarHBondContact O-N 3.48Å |
| 904 | E | 75.1 | Confident | 68.6 | Low | 113 Ų | 113 | 88.7 Ų | 88.7 | 53% | 0.528 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 178.5 | -75.8 | -166.4 | -173.7 | 0 | 0 | 112.2 | Q900 E901 F907 K908 | Q900-E904 PolarHBondContact O-N 3.12Å; E901-E904 PolarHBondContact O-N 2.75Å; E904-F907 WeakPolarHBondContact O-CB 3.21Å; E904-F907 PolarHBondContact O-N 2.64Å; E904-F907 VanDerWaalsContact O-N 3.15Å; E904-K908 VanDerWaalsContact O-CG 3.32Å; E904-K908 WeakPolarHBondContact O-CG 3.31Å; E904-K908 PolarHBondContact O-N 3.08Å; E904-K908 IonicContact OE2-NZ 3.03Å; E904-K908 PolarHBondContact OE2-NZ 3.27Å |
| 905 | D | 67.4 | Low | 66 | Low | 39 Ų | 39 | 96.9 Ų | 96.9 | 21% | 0.209 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -70.7 | -36.8 | 179.8 | -77.7 | -3.6 | 0 | 0 | 0 | 111.1 | H707 L711 E901 F907 K908 L909 | H707-D905 IonicContact NE2-OD2 2.71Å; L711-D905 HydrophobicContact CD1-CB 4.43Å; E901-D905 PolarHBondContact O-N 2.78Å; D905-F907 VanDerWaalsContact C-N 3.27Å; D905-F907 PolarHBondContact O-N 3.25Å; D905-K908 PolarHBondContact O-N 3.34Å; D905-K908 WeakPolarHBondContact OD1-CD 3.34Å; D905-K908 WeakPolarHBondContact OD1-CE 3.32Å; D905-K908 IonicContact OD1-NZ 2.7Å; D905-K908 PolarHBondContact OD1-NZ 3.38Å; D905-L909 WeakPolarHBondContact O-CB 3.31Å; D905-L909 PolarHBondContact O-N 2.89Å |
| 906 | S | 65.5 | Low | 63.3 | Low | 66 Ų | 66 | 97.6 Ų | 97.6 | 46% | 0.462 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -56.9 | -39.4 | 167.4 | -176 | 0 | 0 | 0 | 0 | 112.2 | Y902 K903 H910 | Y902-S906 WeakPolarHBondContact O-CB 3.24Å; Y902-S906 PolarHBondContact O-N 3.07Å; K903-S906 PolarHBondContact O-N 3.47Å; S906-H910 WeakPolarHBondContact O-CB 3.29Å; S906-H910 PolarHBondContact O-N 3.1Å |
| 907 | F | 58.9 | Low | 60.6 | Low | 138 Ų | 138 | 96.6 Ų | 96.6 | 61% | 0.605 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -72.9 | -41.5 | 178.5 | -174.6 | -106.3 | 0 | 0 | 0 | 112.8 | K903 E904 D905 L909 H910 N911 | K903-F907 WeakPolarHBondContact O-CB 3.11Å; K903-F907 PolarHBondContact O-N 3.48Å; E904-F907 WeakPolarHBondContact O-CB 3.21Å; E904-F907 PolarHBondContact O-N 2.64Å; E904-F907 VanDerWaalsContact O-N 3.15Å; D905-F907 VanDerWaalsContact C-N 3.27Å; D905-F907 PolarHBondContact O-N 3.25Å; F907-L909 VanDerWaalsContact C-N 3.27Å; F907-L909 PolarHBondContact O-N 2.86Å; F907-H910 PolarHBondContact O-N 3.27Å; F907-N911 WeakPolarHBondContact CD1-ND2 3.4Å; F907-N911 WeakPolarHBondContact CE1-ND2 3.4Å; F907-N911 WeakPolarHBondContact CZ-ND2 3.46Å; F907-N911 PolarHBondContact O-N 3.05Å; F907-N911 PolarHBondContact O-ND2 2.93Å |
| 908 | K | 59.2 | Low | 58 | Low | 104 Ų | 104 | 101 Ų | 101 | 45% | 0.452 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 173.1 | -69.2 | 164.8 | -154.7 | 153.5 | 0 | 110.9 | E904 D905 Y912 | E904-K908 VanDerWaalsContact O-CG 3.32Å; E904-K908 WeakPolarHBondContact O-CG 3.31Å; E904-K908 PolarHBondContact O-N 3.08Å; E904-K908 IonicContact OE2-NZ 3.03Å; E904-K908 PolarHBondContact OE2-NZ 3.27Å; D905-K908 PolarHBondContact O-N 3.34Å; D905-K908 WeakPolarHBondContact OD1-CD 3.34Å; D905-K908 WeakPolarHBondContact OD1-CE 3.32Å; D905-K908 IonicContact OD1-NZ 2.7Å; D905-K908 PolarHBondContact OD1-NZ 3.38Å; K908-Y912 PolarHBondContact O-N 2.78Å |
| 909 | L | 55.3 | Low | 55.3 | Low | 23 Ų | 23 | 104.4 Ų | 104.4 | 12% | 0.12 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -70 | -40.7 | 179 | -157.5 | 55.8 | 0 | 0 | 0 | 111.6 | N704 D905 F907 Y912 H913 | N704-L909 HydrophobicContact CB-CD2 4.09Å; N704-L909 VanDerWaalsContact CG-CD2 3.42Å; N704-L909 WeakPolarHBondContact OD1-CD2 3.42Å; D905-L909 WeakPolarHBondContact O-CB 3.31Å; D905-L909 PolarHBondContact O-N 2.89Å; F907-L909 VanDerWaalsContact C-N 3.27Å; F907-L909 PolarHBondContact O-N 2.86Å; L909-Y912 WeakPolarHBondContact O-CB 3.37Å; L909-Y912 PolarHBondContact O-N 2.9Å; L909-H913 PolarHBondContact O-CD2 3.47Å; L909-H913 PolarHBondContact O-N 2.76Å |
| 910 | H | 49.7 | Very low | 52.9 | Low | 124 Ų | 124 | 107.8 Ų | 107.8 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 173.1 | -131.7 | 77.3 | 0 | 0 | 0 | 112.7 | S906 F907 Y912 H913 N914 | S906-H910 WeakPolarHBondContact O-CB 3.29Å; S906-H910 PolarHBondContact O-N 3.1Å; F907-H910 PolarHBondContact O-N 3.27Å; H910-Y912 VanDerWaalsContact C-N 3.3Å; H910-Y912 PolarHBondContact O-N 2.88Å; H910-H913 WeakPolarHBondContact O-CB 3.25Å; H910-H913 PolarHBondContact O-N 3.34Å; H910-H913 VanDerWaalsContact O-N 3.08Å; H910-N914 PolarHBondContact O-N 2.92Å |
| 911 | N | 47.7 | Very low | 50.3 | Low | 63 Ų | 63 | 112 Ų | 112 | 34% | 0.337 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.6 | -28.2 | 175.2 | -77.6 | -38.5 | 0 | 0 | 0 | 113 | F907 H913 N914 | F907-N911 WeakPolarHBondContact CD1-ND2 3.4Å; F907-N911 WeakPolarHBondContact CE1-ND2 3.4Å; F907-N911 WeakPolarHBondContact CZ-ND2 3.46Å; F907-N911 PolarHBondContact O-N 3.05Å; F907-N911 PolarHBondContact O-ND2 2.93Å; N911-H913 PolarHBondContact O-N 2.76Å; N911-N914 PolarHBondContact O-N 3.18Å |
| 912 | Y | 45.2 | Very low | 47.9 | Very low | 154 Ų | 154 | 113.9 Ų | 113.9 | 60% | 0.604 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.2 | -25.8 | 169.6 | -114.2 | -85 | 0 | 0 | 0 | 113.2 | K908 L909 H910 | K908-Y912 PolarHBondContact O-N 2.78Å; L909-Y912 WeakPolarHBondContact O-CB 3.37Å; L909-Y912 PolarHBondContact O-N 2.9Å; H910-Y912 VanDerWaalsContact C-N 3.3Å; H910-Y912 PolarHBondContact O-N 2.88Å |
| 913 | H | 43.7 | Very low | 45.4 | Very low | 59 Ų | 59 | 117.9 Ų | 117.9 | 27% | 0.273 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.6 | -39.1 | 172.9 | -64.8 | -44.1 | 0 | 0 | 0 | 112.4 | L909 H910 N911 Y915 R916 S917 | L909-H913 PolarHBondContact O-CD2 3.47Å; L909-H913 PolarHBondContact O-N 2.76Å; H910-H913 WeakPolarHBondContact O-CB 3.25Å; H910-H913 PolarHBondContact O-N 3.34Å; H910-H913 VanDerWaalsContact O-N 3.08Å; N911-H913 PolarHBondContact O-N 2.76Å; H913-Y915 VanDerWaalsContact C-N 3.28Å; H913-Y915 PolarHBondContact O-N 3.19Å; H913-R916 PolarHBondContact O-N 3.13Å; H913-S917 PolarHBondContact O-N 3.03Å |
| 914 | N | 32.3 | Very low | 43 | Very low | 106 Ų | 106 | 119.2 Ų | 119.2 | 57% | 0.567 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.8 | -26.5 | -178.5 | -76.1 | -25.3 | 0 | 0 | 0 | 114 | H910 N911 R916 S917 | H910-N914 PolarHBondContact O-N 2.92Å; N911-N914 PolarHBondContact O-N 3.18Å; N914-R916 VanDerWaalsContact C-N 3.27Å; N914-R916 PolarHBondContact O-N 2.85Å; N914-S917 PolarHBondContact O-OG 2.77Å |
| 915 | Y | 34.4 | Very low | 40.8 | Very low | 212 Ų | 212 | 118.7 Ų | 118.7 | 83% | 0.831 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -4.5 | 175 | -80 | -74.1 | 0 | 0 | 0 | 114.6 | H913 | H913-Y915 VanDerWaalsContact C-N 3.28Å; H913-Y915 PolarHBondContact O-N 3.19Å |
| 916 | R | 32.4 | Very low | 38.7 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 56% | 0.555 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | 1.2 | -176.9 | -150.7 | 173.2 | -178.5 | -160.3 | -7.3 | 115.2 | H696 H913 N914 Y918 | H696-R916 PolarHBondContact CD2-NH1 3.06Å; H696-R916 PolarHBondContact NE2-NH1 3.44Å; H696-R916 VanDerWaalsContact NE2-NH1 3.17Å; H696-R916 PolarHBondContact NE2-NH2 3.3Å; H913-R916 PolarHBondContact O-N 3.13Å; N914-R916 VanDerWaalsContact C-N 3.27Å; N914-R916 PolarHBondContact O-N 2.85Å; R916-Y918 PolarHBondContact O-N 3.46Å |
| 917 | S | 29.7 | Very low | 37 | Very low | 89 Ų | 89 | 131.9 Ų | 131.9 | 62% | 0.622 | 63% | 0.633 | S | S | * | * | trans | -72.1 | 73.8 | 168.8 | 58.5 | 0 | 0 | 0 | 0 | 111 | H913 N914 S919 | H913-S917 PolarHBondContact O-N 3.03Å; N914-S917 PolarHBondContact O-OG 2.77Å; S917-S919 PolarHBondContact O-N 3.32Å | ||
| 918 | Y | 30.4 | Very low | 35.5 | Very low | 198 Ų | 198 | 130.8 Ų | 130.8 | 78% | 0.776 | 64% | 0.64 | S | S | * | * | trans | -65.8 | 97.2 | 173.7 | -87.8 | -89.7 | 0 | 0 | 0 | 110.2 | R916 P920 | R916-Y918 PolarHBondContact O-N 3.46Å; Y918-P920 WeakPolarHBondContact O-CD 3.35Å | ||
| 919 | S | 30 | Very low | 33.8 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | trans | -67.1 | 122.9 | 164.2 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | S917 K921 | S917-S919 PolarHBondContact O-N 3.32Å; S919-K921 PolarHBondContact O-N 3.13Å | ||
| 920 | P | 34.8 | Very low | 32.4 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -82.3 | 67.1 | -174.2 | 34 | -36 | 0 | 0 | 0 | 111.4 | Y918 | Y918-P920 WeakPolarHBondContact O-CD 3.35Š|
| 921 | K | 28.1 | Very low | 31.3 | Very low | 186 Ų | 186 | 137.6 Ų | 137.6 | 81% | 0.809 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -168.8 | 135.6 | 159.5 | -98.2 | 136.1 | -167 | -178.6 | 0 | 110.9 | S919 | S919-K921 PolarHBondContact O-N 3.13Š|
| 922 | S | 28.6 | Very low | 30.4 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 74% | 0.741 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 90 | 140.1 | 172.1 | 85.7 | 0 | 0 | 0 | 0 | 118.4 | ||
| 923 | H | 26.7 | Very low | 29.5 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 83% | 0.829 | 70% | 0.697 | S | S | * | * | trans | 63.1 | 88 | 168.2 | -58.2 | -65.3 | 0 | 0 | 0 | 120.5 | ||||
| 924 | K | 28.6 | Very low | 28.8 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | -12.1 | 132.4 | 149.5 | -66.1 | 176.5 | 173.6 | -178.8 | 0 | 117.2 | ||||
| 925 | S | 28.2 | Very low | 28.8 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | trans | 54.5 | 83.8 | 146 | 62.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 926 | R | 24.2 | Very low | 28.3 | Very low | 243 Ų | 243 | 134.8 Ų | 134.8 | 92% | 0.917 | 71% | 0.711 | S | S | * | * | trans | -122.8 | 99.9 | 134.2 | -148 | 173.5 | -169.8 | 175.7 | 2.6 | 107.4 | ||||
| 927 | L | 28.7 | Very low | 28.1 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 154.6 | -179.2 | -80.3 | 171.7 | 0 | 0 | 0 | 110.9 | ||
| 928 | P | 27.7 | Very low | 27.8 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 74% | 0.74 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -75 | 138.8 | -165.4 | -12.4 | 28.6 | 0 | 0 | 0 | 112.1 | ||
| 929 | I | 24.4 | Very low | 27.8 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 74% | 0.744 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 127.4 | 160.6 | -60.4 | 175.2 | 0 | 0 | 0 | 106.9 | ||
| 930 | P | 24.4 | Very low | 27.5 | Very low | 91 Ų | 91 | 138.1 Ų | 138.1 | 59% | 0.591 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 139.4 | 178.2 | -24.5 | 34.6 | 0 | 0 | 0 | 112.2 | T932 | P930-T932 PolarHBondContact O-N 2.63Š|
| 931 | M | 27.9 | Very low | 27 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 78% | 0.778 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 45.7 | 178.3 | -100.2 | -77.3 | -74.7 | 0 | 0 | 113.2 | L934 | M931-L934 HydrophobicContact CE-CD1 4.2Å; M931-L934 HydrophobicContact SD-CD1 3.86Å |
| 932 | T | 29.1 | Very low | 26.9 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 68% | 0.681 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | 8.9 | 171.7 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | P930 T935 | P930-T932 PolarHBondContact O-N 2.63Å; T932-T935 PolarHBondContact O-OG1 3.05Å |
| 933 | S | 25.7 | Very low | 27 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 49% | 0.49 | 70% | 0.701 | S | S | . | * | trans | -99.1 | -7.1 | -179.8 | 67.9 | 0 | 0 | 0 | 0 | 115.5 | T935 N936 | S933-T935 PolarHBondContact O-N 2.75Å; S933-N936 PolarHBondContact O-N 3.32Å; S933-N936 VanDerWaalsContact O-N 3.17Å | ||
| 934 | L | 28.5 | Very low | 27.1 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 52% | 0.518 | 70% | 0.698 | S | S | . | * | G | 310 helix | trans | -74.6 | -11.3 | 174.5 | -84.2 | 171.8 | 0 | 0 | 0 | 113.9 | M931 L937 | M931-L934 HydrophobicContact CE-CD1 4.2Å; M931-L934 HydrophobicContact SD-CD1 3.86Å; L934-L937 HydrophobicContact CD2-CD1 4.13Å |
| 935 | T | 32 | Very low | 27 | Very low | 120 Ų | 120 | 127 Ų | 127 | 74% | 0.736 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -75.6 | -12 | 167.7 | 47.9 | 0 | 0 | 0 | 0 | 113.2 | T932 S933 | T932-T935 PolarHBondContact O-OG1 3.05Å; S933-T935 PolarHBondContact O-N 2.75Å |
| 936 | N | 23.8 | Very low | 27 | Very low | 136 Ų | 136 | 127 Ų | 127 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -100.9 | 22.7 | 176.2 | -83.8 | -20.2 | 0 | 0 | 0 | 113.8 | S933 R938 | S933-N936 PolarHBondContact O-N 3.32Å; S933-N936 VanDerWaalsContact O-N 3.17Å; N936-R938 PolarHBondContact O-N 3.01Å |
| 937 | L | 28.4 | Very low | 27.3 | Very low | 114 Ų | 114 | 120.1 Ų | 120.1 | 60% | 0.597 | 66% | 0.664 | S | S | * | * | trans | -66.8 | 78.3 | 143.7 | -88.2 | 158.3 | 0 | 0 | 0 | 108.1 | L934 W939 | L934-L937 HydrophobicContact CD2-CD1 4.13Å; L937-W939 VanDerWaalsContact C-N 3.34Å; L937-W939 PolarHBondContact O-N 2.72Å | ||
| 938 | R | 23.5 | Very low | 27.5 | Very low | 223 Ų | 223 | 122.8 Ų | 122.8 | 84% | 0.842 | 67% | 0.67 | S | S | * | * | trans | -57.7 | 97.8 | 167.1 | 178.5 | -176 | -178.6 | -165.7 | 0.6 | 106.9 | N936 G940 | N936-R938 PolarHBondContact O-N 3.01Å; R938-G940 PolarHBondContact O-N 2.8Å | ||
| 939 | W | 30.5 | Very low | 27.7 | Very low | 218 Ų | 218 | 120.9 Ų | 120.9 | 83% | 0.826 | 65% | 0.653 | S | S | * | * | trans | -67.6 | 31.2 | 172.5 | -73.8 | 93.8 | 0 | 0 | 0 | 113 | L937 | L937-W939 VanDerWaalsContact C-N 3.34Å; L937-W939 PolarHBondContact O-N 2.72Å | ||
| 940 | G | 22.9 | Very low | 27.9 | Very low | 47 Ų | 47 | 119.2 Ų | 119.2 | 49% | 0.485 | 65% | 0.646 | S | S | . | * | trans | -91.5 | 128.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | R938 | R938-G940 PolarHBondContact O-N 2.8Š| ||
| 941 | S | 25.8 | Very low | 28.1 | Very low | 102 Ų | 102 | 122.4 Ų | 122.4 | 71% | 0.713 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 73.5 | 36.9 | 173.2 | -161.8 | 0 | 0 | 0 | 0 | 117.3 | ||
| 942 | L | 26 | Very low | 28.2 | Very low | 120 Ų | 120 | 121.2 Ų | 121.2 | 63% | 0.628 | 65% | 0.648 | S | S | * | * | trans | -97.4 | -0.4 | 149.5 | -101.6 | 138.3 | 0 | 0 | 0 | 113 | N944 S945 | L942-N944 PolarHBondContact O-N 3.07Å; L942-S945 VanDerWaalsContact CD2-OG 3.3Å; L942-S945 WeakPolarHBondContact CD2-OG 3.45Å | ||
| 943 | S | 29.2 | Very low | 28.2 | Very low | 93 Ų | 93 | 121.6 Ų | 121.6 | 65% | 0.65 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 74.7 | 152.9 | 57.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 944 | N | 29.1 | Very low | 28.2 | Very low | 140 Ų | 140 | 123.8 Ų | 123.8 | 75% | 0.749 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 172.9 | -0.4 | 150.8 | -91 | -8.1 | 0 | 0 | 0 | 115.1 | L942 N946 T947 | L942-N944 PolarHBondContact O-N 3.07Å; N944-N946 VanDerWaalsContact C-N 3.31Å; N944-T947 WeakPolarHBondContact O-CG2 3.45Å |
| 945 | S | 27.7 | Very low | 28.3 | Very low | 81 Ų | 81 | 123.2 Ų | 123.2 | 57% | 0.566 | 65% | 0.65 | S | S | * | * | trans | -92.8 | 21.5 | 171.5 | 41 | 0 | 0 | 0 | 0 | 114 | L942 T947 | L942-S945 VanDerWaalsContact CD2-OG 3.3Å; L942-S945 WeakPolarHBondContact CD2-OG 3.45Å; S945-T947 VanDerWaalsContact C-N 3.27Å | ||
| 946 | N | 26.7 | Very low | 28.6 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 54% | 0.54 | 64% | 0.637 | S | S | . | * | trans | -91.4 | 18.9 | 168.9 | -137.3 | 10.1 | 0 | 0 | 0 | 112.9 | N944 K948 L949 N950 | N944-N946 VanDerWaalsContact C-N 3.31Å; N946-K948 PolarHBondContact O-N 3.36Å; N946-K948 VanDerWaalsContact O-N 3.08Å; N946-L949 PolarHBondContact O-N 3.05Å; N946-N950 PolarHBondContact O-N 3.49Å | ||
| 947 | T | 32 | Very low | 28.9 | Very low | 99 Ų | 99 | 121.2 Ų | 121.2 | 61% | 0.607 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -5.8 | -177 | 41.6 | 0 | 0 | 0 | 0 | 115 | N944 S945 | N944-T947 WeakPolarHBondContact O-CG2 3.45Å; S945-T947 VanDerWaalsContact C-N 3.27Å |
| 948 | K | 33 | Very low | 29 | Very low | 196 Ų | 196 | 123.5 Ų | 123.5 | 85% | 0.852 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -9.1 | 169.1 | -79.2 | -170.6 | 173.9 | -176.2 | 0 | 114.8 | N946 | N946-K948 PolarHBondContact O-N 3.36Å; N946-K948 VanDerWaalsContact O-N 3.08Å |
| 949 | L | 32.4 | Very low | 29.2 | Very low | 75 Ų | 75 | 119.4 Ų | 119.4 | 39% | 0.393 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.2 | -24.4 | 178.6 | -146.2 | 73.1 | 0 | 0 | 0 | 113.8 | N946 H951 L952 I953 | N946-L949 PolarHBondContact O-N 3.05Å; L949-H951 PolarHBondContact O-N 3.25Å; L949-H951 VanDerWaalsContact O-N 3.15Å; L949-L952 PolarHBondContact O-N 2.75Å; L949-I953 HydrophobicContact CD2-CD1 3.76Å; L949-I953 HydrophobicContact CG-CD1 4.03Å; L949-I953 HydrophobicContact CG-CG1 4.42Å; L949-I953 PolarHBondContact O-N 3.36Å |
| 950 | N | 27.2 | Very low | 29.3 | Very low | 110 Ų | 110 | 113.9 Ų | 113.9 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -20.2 | 178.1 | -73.8 | 8.7 | 0 | 0 | 0 | 114.2 | N946 L952 | N946-N950 PolarHBondContact O-N 3.49Å; N950-L952 VanDerWaalsContact C-N 3.3Å |
| 951 | H | 28.9 | Very low | 29.5 | Very low | 158 Ų | 158 | 118.9 Ų | 118.9 | 73% | 0.731 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -4.5 | 172.1 | -82.8 | -61.3 | 0 | 0 | 0 | 114.7 | L949 R959 | L949-H951 PolarHBondContact O-N 3.25Å; L949-H951 VanDerWaalsContact O-N 3.15Å; H951-R959 PolarHBondContact O-NH1 2.92Å |
| 952 | L | 31 | Very low | 29.7 | Very low | 132 Ų | 132 | 119.8 Ų | 119.8 | 69% | 0.691 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | -7.4 | 178.6 | -87.5 | 153.2 | 0 | 0 | 0 | 113.4 | L949 N950 | L949-L952 PolarHBondContact O-N 2.75Å; N950-L952 VanDerWaalsContact C-N 3.3Å |
| 953 | I | 27.6 | Very low | 29.8 | Very low | 120 Ų | 120 | 121 Ų | 121 | 62% | 0.615 | 63% | 0.633 | S | S | * | * | trans | -124.6 | 58 | 176.6 | -43.7 | 179.1 | 0 | 0 | 0 | 109.7 | L949 | L949-I953 HydrophobicContact CD2-CD1 3.76Å; L949-I953 HydrophobicContact CG-CD1 4.03Å; L949-I953 HydrophobicContact CG-CG1 4.42Å; L949-I953 PolarHBondContact O-N 3.36Å | ||
| 954 | E | 25.6 | Very low | 29.6 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 54% | 0.537 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -71.3 | 151.9 | 146.3 | -80.8 | 174.5 | 148.8 | 0 | 0 | 108.7 | R956 R959 | E954-R956 PolarHBondContact O-N 2.85Å; E954-R959 IonicContact OE2-CZ 3.77Å; E954-R959 IonicContact OE2-NH1 2.91Å |
| 955 | P | 31.4 | Very low | 29.7 | Very low | 88 Ų | 88 | 125 Ų | 125 | 57% | 0.571 | 65% | 0.647 | S | S | * | * | trans | -57.1 | 126.3 | 175.6 | 24.2 | -33.2 | 0 | 0 | 0 | 110 | S957 H958 | P955-S957 PolarHBondContact O-N 2.87Å; P955-H958 PolarHBondContact O-N 2.81Å | ||
| 956 | R | 37.4 | Very low | 29.7 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 46% | 0.457 | 66% | 0.655 | S | S | . | * | G | 310 helix | trans | -59.8 | -9 | -174.9 | -83 | -174.3 | 175.8 | 154.8 | 1.8 | 114.5 | E722 E954 H958 | E722-R956 IonicContact OE1-NH1 3Å; E954-R956 PolarHBondContact O-N 2.85Å; R956-H958 PolarHBondContact O-N 2.85Å |
| 957 | S | 31.2 | Very low | 29.8 | Very low | 93 Ų | 93 | 128.1 Ų | 128.1 | 65% | 0.65 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -62.8 | -21.5 | 173 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | P955 | P955-S957 PolarHBondContact O-N 2.87Š|
| 958 | H | 29.6 | Very low | 29.7 | Very low | 161 Ų | 161 | 130.7 Ų | 130.7 | 75% | 0.745 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -114.4 | 17.3 | -173.1 | -65.4 | -67.1 | 0 | 0 | 0 | 115.7 | P955 R956 | P955-H958 PolarHBondContact O-N 2.81Å; R956-H958 PolarHBondContact O-N 2.85Å |
| 959 | R | 29.3 | Very low | 29.5 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 52% | 0.517 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -127.5 | 24.5 | -175.1 | -133 | 172.9 | -175.4 | 170.2 | 3.7 | 116.6 | H951 E954 | H951-R959 PolarHBondContact O-NH1 2.92Å; E954-R959 IonicContact OE2-CZ 3.77Å; E954-R959 IonicContact OE2-NH1 2.91Å |
| 960 | I | 31.9 | Very low | 29.2 | Very low | 102 Ų | 102 | 132 Ų | 132 | 52% | 0.523 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -122.9 | 46.8 | 175.1 | -45.3 | 175.3 | 0 | 0 | 0 | 111.3 | ||
| 961 | L | 27.4 | Very low | 29.4 | Very low | 153 Ų | 153 | 133 Ų | 133 | 80% | 0.801 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -122.5 | -9.8 | 163.1 | -83.4 | 171.7 | 0 | 0 | 0 | 113.8 | ||
| 962 | T | 30 | Very low | 29.5 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -99.6 | 24 | -178.5 | 32.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 963 | L | 26.7 | Very low | 29.3 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | trans | -113.4 | 40.5 | 171.6 | -71.2 | 176.1 | 0 | 0 | 0 | 112.7 | ||||
| 964 | F | 26.3 | Very low | 29.3 | Very low | 196 Ų | 196 | 134 Ų | 134 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | trans | -125.8 | 69.5 | 161.5 | -81.5 | -75.3 | 0 | 0 | 0 | 110.8 | ||||
| 965 | S | 31 | Very low | 29.3 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | trans | -144.9 | 103.4 | 154 | -85.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 966 | S | 28.3 | Very low | 29.1 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -64.7 | 141.7 | 179.5 | 44.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 967 | D | 27.3 | Very low | 28.5 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | 52.6 | 115.2 | 149.6 | -54.3 | -37.6 | 0 | 0 | 0 | 119.2 | ||||
| 968 | L | 29.4 | Very low | 28.1 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | -169.7 | 135.3 | 109.3 | -97.5 | 151 | 0 | 0 | 0 | 113 | |||||
| 969 | N | 30.7 | Very low | 28.3 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | 69.9 | 80.8 | 155.5 | -61.6 | -24.6 | 0 | 0 | 0 | 120.3 | T971 | N969-T971 PolarHBondContact O-N 3.11Š| ||
| 970 | N | 24.9 | Very low | 28.3 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | -46 | 115.9 | 135.9 | -98.4 | -41.8 | 0 | 0 | 0 | 112.8 | ||||
| 971 | T | 32 | Very low | 28.1 | Very low | 131 Ų | 131 | 144.6 Ų | 144.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -141 | 94.8 | 155.7 | 39.1 | 0 | 0 | 0 | 0 | 113.5 | N969 | N969-T971 PolarHBondContact O-N 3.11Š| ||
| 972 | K | 31 | Very low | 28.1 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | 14 | 113 | 149 | -65.8 | 179.9 | 178.4 | 178 | 0 | 120.4 | ||||
| 973 | T | 26.6 | Very low | 28 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | 19.5 | 119.2 | 114.4 | 59.8 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 974 | S | 27.3 | Very low | 28.1 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | 170.5 | 114.8 | 136.6 | 53 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 975 | S | 26 | Very low | 28.2 | Very low | 104 Ų | 104 | 142.2 Ų | 142.2 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | 63.2 | 110.2 | 71.8 | 73.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 976 | T | 27.2 | Very low | 28 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | 148.7 | 148.7 | 160.4 | 48.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 977 | D | 25.1 | Very low | 28 | Very low | 147 Ų | 147 | 146.8 Ų | 146.8 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | cis | -163.9 | 173.7 | -27.3 | -117.3 | -43.4 | 0 | 0 | 0 | 107.9 | ||||
| 978 | S | 22.8 | Very low | 28 | Very low | 106 Ų | 106 | 147 Ų | 147 | 74% | 0.741 | 83% | 0.828 | S | S | * | * | trans | -13.9 | 130.3 | 173.9 | 62.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 979 | M | 33.3 | Very low | 27.9 | Very low | 263 Ų | 263 | 146.5 Ų | 146.5 | 100% | 1.296 | 83% | 0.831 | S | S | * | * | -163.4 | 0 | 97.9 | -135.7 | 179.9 | 177.4 | 0 | 0 | 112.6 |
Retrieved 979 of 979 residues in 464.3 ms
(Link to these results)