| 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 | 37.6 | Very low | 37.2 | Very low | 246 Ų | 246 | 133 Ų | 133 | 100% | 1.212 | 84% | 0.835 | S | S | * | * | 0 | 118.6 | 0 | -75.3 | 169.3 | 172.8 | 0 | 0 | 107.3 | |||||
| 2 | G | 37.1 | Very low | 37.3 | Very low | 70 Ų | 70 | 141.3 Ų | 141.3 | 72% | 0.722 | 84% | 0.838 | S | S | * | * | trans | -71.5 | 177.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3 | P | 40.8 | Very low | 37.7 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 84% | 0.838 | 84% | 0.839 | S | S | * | * | -140.3 | -162.2 | 53.7 | 49.4 | -31.6 | 0 | 0 | 0 | 112.7 | |||||
| 4 | P | 45.3 | Very low | 38.1 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 73% | 0.727 | 84% | 0.838 | S | S | * | * | trans | -111.3 | 176.2 | -131.5 | 23.5 | 2.1 | 0 | 0 | 0 | 115.1 | ||||
| 5 | P | 40.9 | Very low | 38.5 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 133.2 | 168.1 | 29.8 | -31.6 | 0 | 0 | 0 | 111.3 | ||
| 6 | R | 36.6 | Very low | 38.7 | Very low | 252 Ų | 252 | 126.9 Ų | 126.9 | 95% | 0.951 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 138.4 | 176.3 | -91.3 | -177.2 | 178.6 | -178.9 | 0.3 | 111.4 | ||
| 7 | A | 35.6 | Very low | 39.4 | Very low | 94 Ų | 94 | 124.5 Ų | 124.5 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 148.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 8 | G | 34.3 | Very low | 40 | Very low | 76 Ų | 76 | 122.6 Ų | 122.6 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 140 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 9 | V | 34.9 | Very low | 40.6 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -90.2 | 103.6 | 165.6 | 177.9 | 0 | 0 | 0 | 0 | 107.4 | C11 | V9-C11 PolarHBondContact O-N 3.13Š| ||
| 10 | S | 32.7 | Very low | 41.2 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -70.3 | 103.8 | 162.1 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | R12 | S10-R12 VanDerWaalsContact C-N 3.34Å; S10-R12 PolarHBondContact O-N 3.24Å | ||
| 11 | C | 33 | Very low | 41.7 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -70.4 | 92.7 | 166.2 | -75.5 | 0 | 0 | 0 | 0 | 108.9 | V9 G13 | V9-C11 PolarHBondContact O-N 3.13Å; C11-G13 PolarHBondContact O-N 2.88Å | ||
| 12 | R | 38.6 | Very low | 42.3 | Very low | 233 Ų | 233 | 117.5 Ų | 117.5 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | trans | -65.7 | 121 | 163 | -94.9 | -178.3 | 172.3 | -143.7 | -1 | 108.9 | S10 | S10-R12 VanDerWaalsContact C-N 3.34Å; S10-R12 PolarHBondContact O-N 3.24Å | ||
| 13 | G | 42.2 | Very low | 42.8 | Very low | 82 Ų | 82 | 123.4 Ų | 123.4 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | -60.4 | 153.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C11 | C11-G13 PolarHBondContact O-N 2.88Š| ||
| 14 | G | 44.2 | Very low | 43.4 | Very low | 80 Ų | 80 | 121.5 Ų | 121.5 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | trans | 142.7 | 55.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 15 | C | 44.2 | Very low | 43.5 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 78% | 0.777 | 73% | 0.731 | S | S | * | * | trans | -140.7 | 51.3 | 166.6 | -143.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 16 | G | 41.6 | Very low | 43.7 | Very low | 57 Ų | 57 | 123 Ų | 123 | 59% | 0.588 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -104.9 | -16.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 17 | S | 49.9 | Very low | 44.2 | Very low | 86 Ų | 86 | 117.7 Ų | 117.7 | 60% | 0.601 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -96.2 | -14.8 | -170.5 | 55.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 18 | S | 50.5 | Low | 44.6 | Very low | 90 Ų | 90 | 117.2 Ų | 117.2 | 63% | 0.629 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -80.7 | -19.7 | -177.8 | -160.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 19 | R | 51 | Low | 44.9 | Very low | 202 Ų | 202 | 119.7 Ų | 119.7 | 76% | 0.762 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -85 | -27.4 | -178.2 | -66.8 | -171.8 | 176.4 | -165.9 | -1.2 | 113.2 | ||
| 20 | L | 52.4 | Low | 45 | Very low | 130 Ų | 130 | 117.1 Ų | 117.1 | 68% | 0.681 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -76.4 | -35.6 | -178.4 | -79.4 | 156.5 | 0 | 0 | 0 | 113.1 | A22 W23 | L20-A22 VanDerWaalsContact C-N 3.35Å; L20-W23 PolarHBondContact O-N 3.39Å |
| 21 | L | 52.3 | Low | 45.4 | Very low | 126 Ų | 126 | 117.8 Ų | 117.8 | 66% | 0.66 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -73.8 | -26.4 | 177 | -70.6 | 170.8 | 0 | 0 | 0 | 112.9 | W23 | L21-W23 VanDerWaalsContact C-N 3.35Å |
| 22 | A | 49.9 | Very low | 45.6 | Very low | 50 Ų | 50 | 119.8 Ų | 119.8 | 41% | 0.413 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -69.8 | -30.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L20 L26 | L20-A22 VanDerWaalsContact C-N 3.35Å; A22-L26 WeakPolarHBondContact O-CD1 3.07Å; A22-L26 WeakPolarHBondContact O-CG 3.43Å; A22-L26 PolarHBondContact O-N 2.96Å |
| 23 | W | 48.2 | Very low | 45.3 | Very low | 193 Ų | 193 | 112.1 Ų | 112.1 | 73% | 0.731 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -75.8 | -32.6 | -179.9 | -80.1 | 53.2 | 0 | 0 | 0 | 112.9 | L20 L21 L26 L27 | L20-W23 PolarHBondContact O-N 3.39Å; L21-W23 VanDerWaalsContact C-N 3.35Å; W23-L26 PolarHBondContact O-N 2.78Å; W23-L27 PolarHBondContact O-N 2.98Å |
| 24 | C | 52.3 | Low | 45 | Very low | 90 Ų | 90 | 115.1 Ų | 115.1 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -70.1 | -32 | 175.5 | -65.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 25 | F | 47.8 | Very low | 44.6 | Very low | 152 Ų | 152 | 114.8 Ų | 114.8 | 67% | 0.667 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -75.3 | -30.5 | 174.9 | -97.8 | -82.2 | 0 | 0 | 0 | 113 | A28 L29 | F25-A28 PolarHBondContact O-N 3.03Å; F25-L29 HydrophobicContact CD1-CD1 4.4Å; F25-L29 PolarHBondContact O-N 3.09Å |
| 26 | L | 45.9 | Very low | 44.2 | Very low | 117 Ų | 117 | 113 Ų | 113 | 61% | 0.613 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -72.5 | -28.4 | 177.8 | -75.5 | 166.6 | 0 | 0 | 0 | 113.1 | A22 W23 S30 | A22-L26 WeakPolarHBondContact O-CD1 3.07Å; A22-L26 WeakPolarHBondContact O-CG 3.43Å; A22-L26 PolarHBondContact O-N 2.96Å; W23-L26 PolarHBondContact O-N 2.78Å; L26-S30 PolarHBondContact O-N 3.46Å; L26-S30 PolarHBondContact O-OG 3.49Å |
| 27 | L | 47.6 | Very low | 44.2 | Very low | 141 Ų | 141 | 118.1 Ų | 118.1 | 74% | 0.738 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -74.9 | -23.8 | 173.9 | -78.5 | 164.8 | 0 | 0 | 0 | 113.5 | W23 | W23-L27 PolarHBondContact O-N 2.98Å |
| 28 | A | 44.1 | Very low | 44 | Very low | 84 Ų | 84 | 116.9 Ų | 116.9 | 69% | 0.694 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -87 | -16.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F25 | F25-A28 PolarHBondContact O-N 3.03Å |
| 29 | L | 40.2 | Very low | 44.4 | Very low | 129 Ų | 129 | 115.9 Ų | 115.9 | 68% | 0.675 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -114.4 | 7.6 | -177.3 | -78.5 | 160.3 | 0 | 0 | 0 | 113.6 | F25 P31 | F25-L29 HydrophobicContact CD1-CD1 4.4Å; F25-L29 PolarHBondContact O-N 3.09Å; L29-P31 WeakPolarHBondContact O-CD 3.35Å |
| 30 | S | 37.1 | Very low | 45.2 | Very low | 77 Ų | 77 | 111 Ų | 111 | 54% | 0.538 | 65% | 0.65 | S | S | . | * | trans | -53.8 | 114.9 | 167.3 | -62.1 | 0 | 0 | 0 | 0 | 108.2 | L26 Q32 | L26-S30 PolarHBondContact O-N 3.46Å; L26-S30 PolarHBondContact O-OG 3.49Å; S30-Q32 PolarHBondContact O-N 3.43Å | ||
| 31 | P | 40.6 | Very low | 46.4 | Very low | 119 Ų | 119 | 106.1 Ų | 106.1 | 77% | 0.773 | 63% | 0.628 | S | S | * | * | trans | -54.8 | 131.4 | 165.9 | -14.5 | 28.5 | 0 | 0 | 0 | 105.7 | L29 A33 | L29-P31 WeakPolarHBondContact O-CD 3.35Å; P31-A33 PolarHBondContact O-N 2.79Å | ||
| 32 | Q | 37.9 | Very low | 48.2 | Very low | 163 Ų | 163 | 101.6 Ų | 101.6 | 76% | 0.762 | 61% | 0.606 | S | S | * | * | trans | -43.7 | 119.9 | 170.3 | -72.6 | 172.3 | 6.3 | 0 | 0 | 107.6 | S30 | S30-Q32 PolarHBondContact O-N 3.43Š| ||
| 33 | A | 31.6 | Very low | 50.4 | Low | 72 Ų | 72 | 103.1 Ų | 103.1 | 60% | 0.595 | 60% | 0.601 | S | S | * | * | trans | -50.8 | 133.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | P31 G35 S36 | P31-A33 PolarHBondContact O-N 2.79Å; A33-G35 PolarHBondContact O-N 2.83Å; A33-S36 PolarHBondContact O-N 2.81Å | ||
| 34 | P | 35.4 | Very low | 52.6 | Low | 145 Ų | 145 | 94.9 Ų | 94.9 | 94% | 0.942 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 88.9 | 174.7 | 27.1 | -30.8 | 0 | 0 | 0 | 107.2 | ||
| 35 | G | 35.4 | Very low | 54.8 | Low | 73 Ų | 73 | 90.6 Ų | 90.6 | 75% | 0.753 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 173.9 | -23.9 | -170 | 0 | 0 | 0 | 0 | 0 | 114.1 | A33 R37 | A33-G35 PolarHBondContact O-N 2.83Å; G35-R37 PolarHBondContact O-N 2.84Å |
| 36 | S | 36.1 | Very low | 57.2 | Low | 76 Ų | 76 | 86.7 Ų | 86.7 | 53% | 0.531 | 53% | 0.525 | S | S | . | . | trans | -94.2 | 68.6 | 168.9 | 70.4 | 0 | 0 | 0 | 0 | 110.7 | A33 G38 | A33-S36 PolarHBondContact O-N 2.81Å; S36-G38 VanDerWaalsContact C-N 3.33Å; S36-G38 PolarHBondContact O-N 2.92Å | ||
| 37 | R | 42.8 | Very low | 59.7 | Low | 165 Ų | 165 | 81.1 Ų | 81.1 | 62% | 0.623 | 50% | 0.495 | S | S | * | . | trans | -58.9 | 108 | 152.1 | -84.4 | -173.8 | 173.7 | -178.8 | -2.9 | 105.1 | G35 A39 | G35-R37 PolarHBondContact O-N 2.84Å; R37-A39 PolarHBondContact O-N 2.98Å | ||
| 38 | G | 44.8 | Very low | 62.1 | Low | 60 Ų | 60 | 77.2 Ų | 77.2 | 62% | 0.619 | 48% | 0.475 | S | S | * | . | trans | -48.3 | 139 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | S36 E40 | S36-G38 VanDerWaalsContact C-N 3.33Å; S36-G38 PolarHBondContact O-N 2.92Å; G38-E40 PolarHBondContact O-N 3.26Å | ||
| 39 | A | 58.8 | Low | 64.6 | Low | 70 Ų | 70 | 73.2 Ų | 73.2 | 58% | 0.579 | 44% | 0.442 | S | S | * | . | trans | -42 | 107 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110 | R37 P201 | R37-A39 PolarHBondContact O-N 2.98Å; A39-P201 HydrophobicContact CB-CB 3.64Å; A39-P201 WeakPolarHBondContact O-CB 3.41Å; A39-P201 VanDerWaalsContact O-CD 3.27Å; A39-P201 WeakPolarHBondContact O-CD 3.37Å; A39-P201 WeakPolarHBondContact O-CG 3.27Å | ||
| 40 | E | 67.3 | Low | 67.3 | Low | 100 Ų | 100 | 68.6 Ų | 68.6 | 47% | 0.467 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 149.4 | -173.7 | -158.4 | 166.1 | -171.5 | 0 | 0 | 108.1 | G38 V42 | G38-E40 PolarHBondContact O-N 3.26Å; E40-V42 PolarHBondContact O-N 3.06Å |
| 41 | A | 78.6 | Confident | 70 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 127.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110 | K198 H199 | A41-K198 HydrophobicContact CB-CD 4.14Å; A41-K198 HydrophobicContact CB-CG 3.85Å; A41-H199 CarbonylContact C-O 3.6Å; A41-H199 WeakPolarHBondContact CA-O 3.45Å |
| 42 | V | 90.5 | Very high | 72.3 | Confident | 32 Ų | 32 | 66.5 Ų | 66.5 | 19% | 0.194 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 134.5 | -180 | -177.3 | 0 | 0 | 0 | 0 | 109 | E40 V70 P157 H199 | E40-V42 PolarHBondContact O-N 3.06Å; V42-V70 HydrophobicContact CG1-CB 3.65Å; V42-V70 HydrophobicContact CG1-CG1 3.6Å; V42-V70 HydrophobicContact CG1-CG2 4.44Å; V42-P157 HydrophobicContact CG2-CB 4.08Å; V42-P157 HydrophobicContact CG2-CG 4.48Å; V42-H199 PolarHBondContact N-O 3.17Å; V42-H199 PolarHBondContact O-N 3.38Å |
| 43 | W | 94.6 | Very high | 74.4 | Confident | 81 Ų | 81 | 61.1 Ų | 61.1 | 31% | 0.307 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 124.8 | 174.4 | -69.4 | 86.6 | 0 | 0 | 0 | 109.7 | V70 Y71 L77 V195 K198 | W43-V70 CarbonylContact O-C 3.56Å; W43-V70 WeakPolarHBondContact O-CA 3.49Å; W43-Y71 HydrophobicContact CB-CD2 4.35Å; W43-Y71 PolarHBondContact O-N 2.98Å; W43-L77 HydrophobicContact CB-CD2 3.86Å; W43-L77 HydrophobicContact CD2-CD1 4.03Å; W43-L77 HydrophobicContact CD2-CD2 4.32Å; W43-L77 HydrophobicContact CG-CD1 4.07Å; W43-L77 HydrophobicContact CG-CD2 3.79Å; W43-L77 HydrophobicContact CZ2-CD1 4.18Å; W43-V195 HydrophobicContact CE3-CG1 3.76Å; W43-V195 HydrophobicContact CZ3-CG1 4.06Å; W43-K198 HydrophobicContact CD2-CB 3.94Å; W43-K198 HydrophobicContact CD2-CG 4.2Å; W43-K198 HydrophobicContact CE3-CB 3.88Å; W43-K198 HydrophobicContact CH2-CB 3.88Å; W43-K198 HydrophobicContact CH2-CD 4.21Å; W43-K198 HydrophobicContact CH2-CG 4.41Å; W43-K198 HydrophobicContact CZ2-CB 3.93Å; W43-K198 HydrophobicContact CZ2-CD 3.66Å; W43-K198 HydrophobicContact CZ2-CG 3.96Å; W43-K198 HydrophobicContact CZ3-CB 3.85Å |
| 44 | T | 96.3 | Very high | 76.2 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 13% | 0.129 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 164.3 | 170.6 | 55.3 | 0 | 0 | 0 | 0 | 110.3 | E67 G69 Y71 G196 K197 H199 | T44-E67 PolarHBondContact OG1-OE1 2.89Å; T44-G69 WeakPolarHBondContact CA-O 3.27Å; T44-Y71 WeakPolarHBondContact O-CD2 3.28Å; T44-G196 WeakPolarHBondContact O-CA 3.18Å; T44-G196 PolarHBondContact O-N 3.45Å; T44-K197 PolarHBondContact N-O 3.44Å; T44-K197 PolarHBondContact OG1-N 3.02Å; T44-K197 PolarHBondContact OG1-O 2.74Å; T44-H199 WeakPolarHBondContact CG2-ND1 3.48Å |
| 45 | A | 97.6 | Very high | 77.7 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 139.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | L47 E67 E68 G69 Y71 I169 I193 | A45-L47 HydrophobicContact CB-CD2 3.78Å; A45-L47 HydrophobicContact CB-CG 4.5Å; A45-E67 WeakPolarHBondContact O-CA 3.5Å; A45-E68 PolarHBondContact O-N 2.9Å; A45-E68 VanDerWaalsContact O-N 3.11Å; A45-E68 VanDerWaalsContact O-O 3.11Å; A45-G69 PolarHBondContact N-O 3.39Å; A45-Y71 HydrophobicContact CB-CD2 3.97Å; A45-Y71 HydrophobicContact CB-CE2 3.61Å; A45-I169 HydrophobicContact CB-CG2 4.29Å; A45-I193 HydrophobicContact CB-CG2 4.12Å |
| 46 | Y | 98 | Very high | 78.8 | Confident | 69 Ų | 69 | 62.6 Ų | 62.6 | 27% | 0.271 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 120 | 162.1 | -72.7 | -66 | 0 | 0 | 0 | 107.9 | E67 I193 E194 K197 | Y46-E67 HydrophobicContact CD1-CB 3.71Å; Y46-E67 HydrophobicContact CD1-CG 3.83Å; Y46-E67 HydrophobicContact CE1-CB 3.45Å; Y46-E67 VanDerWaalsContact CE1-CB 3.45Å; Y46-E67 HydrophobicContact CE1-CG 3.43Å; Y46-E67 VanDerWaalsContact CE1-CG 3.43Å; Y46-E67 WeakPolarHBondContact CE1-OE2 3.06Å; Y46-E67 VanDerWaalsContact OH-CD 3.3Å; Y46-E67 PolarHBondContact OH-OE2 3.14Å; Y46-I193 WeakPolarHBondContact O-CA 3.41Å; Y46-E194 PolarHBondContact N-O 3.05Å; Y46-E194 PolarHBondContact O-N 3.49Å; Y46-K197 VanDerWaalsContact OH-CE 3.27Å; Y46-K197 WeakPolarHBondContact OH-CE 3.23Å; Y46-K197 PolarHBondContact OH-NZ 3.32Å |
| 47 | L | 97.9 | Very high | 79.6 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123.8 | 179.9 | -50.9 | -174.8 | 0 | 0 | 0 | 109.3 | A45 V49 L65 S66 E68 I169 I171 M191 V192 I193 | A45-L47 HydrophobicContact CB-CD2 3.78Å; A45-L47 HydrophobicContact CB-CG 4.5Å; L47-V49 HydrophobicContact CB-CG2 4.3Å; L47-L65 WeakPolarHBondContact O-CA 3.42Å; L47-S66 PolarHBondContact N-O 2.9Å; L47-S66 PolarHBondContact O-N 3.29Å; L47-E68 HydrophobicContact CD1-CG 3.59Å; L47-E68 WeakPolarHBondContact CD1-O 3.44Å; L47-E68 HydrophobicContact CG-CG 4.2Å; L47-E68 WeakPolarHBondContact CG-O 3.32Å; L47-I169 HydrophobicContact CD1-CD1 4.43Å; L47-I169 HydrophobicContact CD2-CD1 3.51Å; L47-I171 HydrophobicContact CD1-CG2 3.6Å; L47-M191 HydrophobicContact CD1-CE 4.23Å; L47-M191 HydrophobicContact CD2-SD 4.3Å; L47-V192 WeakPolarHBondContact CA-O 3.44Å; L47-I193 HydrophobicContact CD2-CB 4.43Å; L47-I193 HydrophobicContact CD2-CG1 4.09Å; L47-I193 HydrophobicContact CD2-CG2 4.06Å |
| 48 | N | 97.6 | Very high | 80.5 | Confident | 59 Ų | 59 | 61.3 Ų | 61.3 | 32% | 0.316 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 102.7 | 166.2 | -173.2 | -5.3 | 0 | 0 | 0 | 108.5 | L65 M191 V192 | N48-L65 HydrophobicContact CB-CD1 3.96Å; N48-M191 WeakPolarHBondContact O-CA 3.43Å; N48-V192 HydrophobicContact CB-CB 4.19Å; N48-V192 PolarHBondContact N-O 2.99Å; N48-V192 PolarHBondContact O-N 3.01Å |
| 49 | V | 97.5 | Very high | 81.6 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130.1 | -176.7 | -171.2 | 0 | 0 | 0 | 0 | 109 | L47 W51 W63 E64 I179 V189 M191 | L47-V49 HydrophobicContact CB-CG2 4.3Å; V49-W51 HydrophobicContact CB-CH2 3.7Å; V49-W51 HydrophobicContact CB-CZ2 4.36Å; V49-W51 HydrophobicContact CB-CZ3 3.87Å; V49-W51 HydrophobicContact CG1-CD2 4.41Å; V49-W51 HydrophobicContact CG1-CE3 4.25Å; V49-W51 HydrophobicContact CG1-CH2 3.46Å; V49-W51 VanDerWaalsContact CG1-CH2 3.46Å; V49-W51 HydrophobicContact CG1-CZ2 3.62Å; V49-W51 HydrophobicContact CG1-CZ3 3.79Å; V49-W51 VanDerWaalsContact O-CZ3 3.25Å; V49-W51 WeakPolarHBondContact O-CZ3 3.22Å; V49-W63 CarbonylContact O-C 3.53Å; V49-W63 WeakPolarHBondContact O-CA 3.27Å; V49-E64 PolarHBondContact N-O 3.04Å; V49-E64 PolarHBondContact O-N 2.69Å; V49-I179 HydrophobicContact CG1-CD1 4.29Å; V49-I179 HydrophobicContact CG1-CG1 4.45Å; V49-V189 HydrophobicContact CG1-CG1 3.51Å; V49-M191 HydrophobicContact CG2-CE 3.58Å; V49-M191 HydrophobicContact CG2-CG 4.26Å |
| 50 | S | 95.9 | Very high | 82.3 | Confident | 32 Ų | 32 | 68.9 Ų | 68.9 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.8 | 179.8 | 61.3 | 0 | 0 | 0 | 0 | 111.8 | V62 V189 T190 | S50-V62 CarbonylContact C-O 3.57Å; S50-V62 VanDerWaalsContact CA-O 3.3Å; S50-V62 WeakPolarHBondContact CA-O 3.21Å; S50-V189 CarbonylContact O-C 3.46Å; S50-V189 VanDerWaalsContact O-CA 3.3Å; S50-V189 WeakPolarHBondContact O-CA 3.3Å; S50-V189 WeakPolarHBondContact O-CG1 3.29Å; S50-T190 PolarHBondContact N-O 3.49Å; S50-T190 PolarHBondContact O-N 3.21Å; S50-T190 WeakPolarHBondContact OG-CB 3.25Å; S50-T190 PolarHBondContact OG-O 3.49Å |
| 51 | W | 94.4 | Very high | 83 | Confident | 20 Ų | 20 | 67.9 Ų | 67.9 | 8% | 0.076 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.9 | 178.6 | -67.8 | -99.9 | 0 | 0 | 0 | 109.7 | V49 V53 T61 V62 E64 I179 S182 I187 V189 | V49-W51 HydrophobicContact CB-CH2 3.7Å; V49-W51 HydrophobicContact CB-CZ2 4.36Å; V49-W51 HydrophobicContact CB-CZ3 3.87Å; V49-W51 HydrophobicContact CG1-CD2 4.41Å; V49-W51 HydrophobicContact CG1-CE3 4.25Å; V49-W51 HydrophobicContact CG1-CH2 3.46Å; V49-W51 VanDerWaalsContact CG1-CH2 3.46Å; V49-W51 HydrophobicContact CG1-CZ2 3.62Å; V49-W51 HydrophobicContact CG1-CZ3 3.79Å; V49-W51 VanDerWaalsContact O-CZ3 3.25Å; V49-W51 WeakPolarHBondContact O-CZ3 3.22Å; W51-V53 PolarHBondContact O-N 3.47Å; W51-T61 WeakPolarHBondContact O-CA 3.39Å; W51-V62 PolarHBondContact N-O 3.32Å; W51-V62 PolarHBondContact O-N 2.94Å; W51-V62 VanDerWaalsContact O-N 3.12Å; W51-E64 HydrophobicContact CH2-CB 4Å; W51-E64 WeakPolarHBondContact CH2-OE2 3.36Å; W51-E64 HydrophobicContact CZ3-CB 3.7Å; W51-I179 HydrophobicContact CZ2-CG1 4.25Å; W51-S182 PolarHBondContact NE1-OG 3.48Å; W51-I187 HydrophobicContact CB-CG2 4.08Å; W51-V189 HydrophobicContact CG-CG2 4.34Å |
| 52 | R | 89.7 | Confident | 83.5 | Confident | 133 Ų | 133 | 70.2 Ų | 70.2 | 50% | 0.502 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 97 | 175.9 | -172.3 | 179.4 | -179.5 | -166.7 | -0.3 | 110 | P54 Q188 | R52-P54 WeakPolarHBondContact O-CD 3.45Å; R52-Q188 HydrophobicContact CB-CB 4.24Å; R52-Q188 PolarHBondContact N-O 2.94Å |
| 53 | V | 80.8 | Confident | 83.5 | Confident | 50 Ų | 50 | 76.6 Ų | 76.6 | 30% | 0.303 | 40% | 0.395 | S | S | . | . | trans | -75 | 123.7 | -175.9 | -174.9 | 0 | 0 | 0 | 0 | 110.3 | W51 T56 R60 V62 | W51-V53 PolarHBondContact O-N 3.47Å; V53-T56 HydrophobicContact CG1-CG2 4.49Å; V53-R60 PolarHBondContact N-O 3.4Å; V53-V62 HydrophobicContact CG2-CG2 4.08Å | ||
| 54 | P | 70.8 | Confident | 83.5 | Confident | 64 Ų | 64 | 75.7 Ų | 75.7 | 42% | 0.416 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -77.2 | 156.3 | 175.6 | 30.9 | -32.8 | 0 | 0 | 0 | 111.9 | R52 T56 | R52-P54 WeakPolarHBondContact O-CD 3.45Å; P54-T56 VanDerWaalsContact C-N 3.34Å; P54-T56 PolarHBondContact O-N 2.79Å |
| 55 | H | 65.9 | Low | 83.4 | Confident | 196 Ų | 196 | 79.8 Ų | 79.8 | 91% | 0.907 | 42% | 0.415 | S | S | * | . | S | Bend | trans | 67.6 | 5.7 | 168.9 | -49.1 | -63.6 | 0 | 0 | 0 | 119.3 | ||
| 56 | T | 59.6 | Low | 83.3 | Confident | 61 Ų | 61 | 80.9 Ų | 80.9 | 37% | 0.374 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -99.9 | 109.3 | 163.9 | 59.5 | 0 | 0 | 0 | 0 | 108 | V53 P54 V58 R60 | V53-T56 HydrophobicContact CG1-CG2 4.49Å; P54-T56 VanDerWaalsContact C-N 3.34Å; P54-T56 PolarHBondContact O-N 2.79Å; T56-V58 PolarHBondContact O-N 2.76Å; T56-R60 WeakPolarHBondContact OG1-CB 3.43Å |
| 57 | G | 53.2 | Low | 83.1 | Confident | 77 Ų | 77 | 81 Ų | 81 | 79% | 0.794 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -38.2 | 129.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 58 | V | 61.7 | Low | 82.8 | Confident | 137 Ų | 137 | 83.3 Ų | 83.3 | 83% | 0.83 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 101.8 | -173.5 | -171.7 | 0 | 0 | 0 | 0 | 114.1 | T56 R60 | T56-V58 PolarHBondContact O-N 2.76Å; V58-R60 VanDerWaalsContact C-N 3.27Å; V58-R60 PolarHBondContact O-N 3.08Å |
| 59 | N | 66.4 | Low | 82.7 | Confident | 120 Ų | 120 | 80.8 Ų | 80.8 | 64% | 0.642 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 22.8 | 51.2 | 155.8 | -71.1 | -21.9 | 0 | 0 | 0 | 117.4 | T61 | N59-T61 PolarHBondContact O-N 3.35Å; N59-T61 VanDerWaalsContact O-N 3.1Å |
| 60 | R | 73.9 | Confident | 82.7 | Confident | 168 Ų | 168 | 81.4 Ų | 81.4 | 63% | 0.634 | 43% | 0.428 | S | S | * | . | trans | -75.9 | 108.5 | 179.5 | -168.4 | 173.9 | 176.4 | 167.7 | -1.4 | 109 | V53 T56 V58 | V53-R60 PolarHBondContact N-O 3.4Å; T56-R60 WeakPolarHBondContact OG1-CB 3.43Å; V58-R60 VanDerWaalsContact C-N 3.27Å; V58-R60 PolarHBondContact O-N 3.08Å | ||
| 61 | T | 82.6 | Confident | 82.7 | Confident | 80 Ų | 80 | 80.1 Ų | 80.1 | 49% | 0.491 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122.5 | 172.7 | 52.4 | 0 | 0 | 0 | 0 | 109.6 | W51 N59 | W51-T61 WeakPolarHBondContact O-CA 3.39Å; N59-T61 PolarHBondContact O-N 3.35Å; N59-T61 VanDerWaalsContact O-N 3.1Å |
| 62 | V | 89.3 | Confident | 82.8 | Confident | 75 Ų | 75 | 79.3 Ų | 79.3 | 46% | 0.455 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 138.9 | 164.9 | -179.5 | 0 | 0 | 0 | 0 | 106.9 | S50 W51 V53 | S50-V62 CarbonylContact C-O 3.57Å; S50-V62 VanDerWaalsContact CA-O 3.3Å; S50-V62 WeakPolarHBondContact CA-O 3.21Å; W51-V62 PolarHBondContact N-O 3.32Å; W51-V62 PolarHBondContact O-N 2.94Å; W51-V62 VanDerWaalsContact O-N 3.12Å; V53-V62 HydrophobicContact CG2-CG2 4.08Å |
| 63 | W | 90.1 | Very high | 83 | Confident | 165 Ų | 165 | 76.1 Ų | 76.1 | 63% | 0.625 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 155.2 | 178.1 | 60.8 | -92.5 | 0 | 0 | 0 | 111.5 | V49 L65 | V49-W63 CarbonylContact O-C 3.53Å; V49-W63 WeakPolarHBondContact O-CA 3.27Å; W63-L65 HydrophobicContact CE3-CB 4.22Å; W63-L65 HydrophobicContact CZ3-CB 3.84Å |
| 64 | E | 94.2 | Very high | 83.7 | Confident | 62 Ų | 62 | 76.6 Ų | 76.6 | 29% | 0.29 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 118.3 | -179 | -169.3 | -176.9 | 149.4 | 0 | 0 | 107.9 | V49 W51 K175 K178 | V49-E64 PolarHBondContact N-O 3.04Å; V49-E64 PolarHBondContact O-N 2.69Å; W51-E64 HydrophobicContact CH2-CB 4Å; W51-E64 WeakPolarHBondContact CH2-OE2 3.36Å; W51-E64 HydrophobicContact CZ3-CB 3.7Å; E64-K175 IonicContact OE1-NZ 3.65Å; E64-K175 PolarHBondContact OE1-NZ 3.42Å; E64-K175 IonicContact OE2-NZ 3.56Å; E64-K175 PolarHBondContact OE2-NZ 2.95Å; E64-K178 IonicContact OE2-NZ 3.93Å; E64-K178 PolarHBondContact OE2-NZ 2.94Å |
| 65 | L | 94.8 | Very high | 84.9 | Confident | 107 Ų | 107 | 74.1 Ų | 74.1 | 56% | 0.56 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 127.8 | 174.7 | -179.8 | 68.5 | 0 | 0 | 0 | 109.3 | L47 N48 W63 | L47-L65 WeakPolarHBondContact O-CA 3.42Å; N48-L65 HydrophobicContact CB-CD1 3.96Å; W63-L65 HydrophobicContact CE3-CB 4.22Å; W63-L65 HydrophobicContact CZ3-CB 3.84Å |
| 66 | S | 94.6 | Very high | 86.4 | Confident | 23 Ų | 23 | 66.5 Ų | 66.5 | 16% | 0.161 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 142.3 | -177.5 | 47.7 | 0 | 0 | 0 | 0 | 112 | L47 E68 | L47-S66 PolarHBondContact N-O 2.9Å; L47-S66 PolarHBondContact O-N 3.29Å; S66-E68 PolarHBondContact O-N 2.98Å; S66-E68 WeakPolarHBondContact OG-CG 3.48Å; S66-E68 PolarHBondContact OG-OE1 3.39Å |
| 67 | E | 94.6 | Very high | 88.2 | Confident | 73 Ų | 73 | 67.4 Ų | 67.4 | 34% | 0.341 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 84.9 | 162.9 | -163 | 177.9 | 159.9 | 0 | 0 | 107.8 | T44 A45 Y46 K197 | T44-E67 PolarHBondContact OG1-OE1 2.89Å; A45-E67 WeakPolarHBondContact O-CA 3.5Å; Y46-E67 HydrophobicContact CD1-CB 3.71Å; Y46-E67 HydrophobicContact CD1-CG 3.83Å; Y46-E67 HydrophobicContact CE1-CB 3.45Å; Y46-E67 VanDerWaalsContact CE1-CB 3.45Å; Y46-E67 HydrophobicContact CE1-CG 3.43Å; Y46-E67 VanDerWaalsContact CE1-CG 3.43Å; Y46-E67 WeakPolarHBondContact CE1-OE2 3.06Å; Y46-E67 VanDerWaalsContact OH-CD 3.3Å; Y46-E67 PolarHBondContact OH-OE2 3.14Å; E67-K197 IonicContact OE1-NZ 2.82Å; E67-K197 IonicContact OE2-NZ 3.06Å; E67-K197 PolarHBondContact OE2-NZ 3.5Å |
| 68 | E | 92.1 | Very high | 90.3 | Very high | 47 Ų | 47 | 68.8 Ų | 68.8 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 150.4 | -179.9 | 74.3 | -179.2 | 162.3 | 0 | 0 | 110.5 | A45 L47 S66 K175 | A45-E68 PolarHBondContact O-N 2.9Å; A45-E68 VanDerWaalsContact O-N 3.11Å; A45-E68 VanDerWaalsContact O-O 3.11Å; L47-E68 HydrophobicContact CD1-CG 3.59Å; L47-E68 WeakPolarHBondContact CD1-O 3.44Å; L47-E68 HydrophobicContact CG-CG 4.2Å; L47-E68 WeakPolarHBondContact CG-O 3.32Å; S66-E68 PolarHBondContact O-N 2.98Å; S66-E68 WeakPolarHBondContact OG-CG 3.48Å; S66-E68 PolarHBondContact OG-OE1 3.39Å; E68-K175 VanDerWaalsContact OE1-CD 3.27Å; E68-K175 WeakPolarHBondContact OE1-CD 3.46Å; E68-K175 WeakPolarHBondContact OE1-CE 3.28Å; E68-K175 WeakPolarHBondContact OE1-CG 3.38Å; E68-K175 IonicContact OE1-NZ 2.76Å; E68-K175 PolarHBondContact OE1-NZ 2.92Å |
| 69 | G | 94.6 | Very high | 92 | Very high | 6 Ų | 6 | 66.7 Ų | 66.7 | 6% | 0.062 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 82.1 | 167 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | T44 A45 M170 | T44-G69 WeakPolarHBondContact CA-O 3.27Å; A45-G69 PolarHBondContact N-O 3.39Å; G69-M170 CarbonylContact C-O 3.47Å; G69-M170 WeakPolarHBondContact CA-O 3.42Å |
| 70 | V | 96.8 | Very high | 93.5 | Very high | 14 Ų | 14 | 62 Ų | 62 | 9% | 0.085 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 138 | -172.5 | -64.7 | 0 | 0 | 0 | 0 | 110.1 | V42 W43 V155 I156 I169 M170 | V42-V70 HydrophobicContact CG1-CB 3.65Å; V42-V70 HydrophobicContact CG1-CG1 3.6Å; V42-V70 HydrophobicContact CG1-CG2 4.44Å; W43-V70 CarbonylContact O-C 3.56Å; W43-V70 WeakPolarHBondContact O-CA 3.49Å; V70-V155 HydrophobicContact CG1-CG2 4.12Å; V70-V155 HydrophobicContact CG2-CB 4.25Å; V70-I156 WeakPolarHBondContact CG2-O 3.43Å; V70-I169 CarbonylContact O-C 3.41Å; V70-I169 VanDerWaalsContact O-CA 3.27Å; V70-I169 WeakPolarHBondContact O-CA 3.28Å; V70-M170 HydrophobicContact CG2-CB 4.09Å; V70-M170 PolarHBondContact N-O 3.44Å; V70-M170 PolarHBondContact O-N 2.86Å |
| 71 | Y | 97.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 145.3 | 168.6 | -77.5 | -104 | 0 | 0 | 0 | 109.8 | W43 T44 A45 L77 V167 I169 I193 E194 V195 | W43-Y71 HydrophobicContact CB-CD2 4.35Å; W43-Y71 PolarHBondContact O-N 2.98Å; T44-Y71 WeakPolarHBondContact O-CD2 3.28Å; A45-Y71 HydrophobicContact CB-CD2 3.97Å; A45-Y71 HydrophobicContact CB-CE2 3.61Å; Y71-L77 HydrophobicContact CD1-CD2 3.92Å; Y71-L77 HydrophobicContact CD2-CD2 4.45Å; Y71-L77 HydrophobicContact CG-CD2 3.87Å; Y71-V167 HydrophobicContact CD1-CG1 4.14Å; Y71-V167 HydrophobicContact CE1-CG1 3.58Å; Y71-I169 HydrophobicContact CD1-CG2 4.04Å; Y71-I169 HydrophobicContact CD2-CG2 4.19Å; Y71-I169 HydrophobicContact CE1-CG2 4.2Å; Y71-I169 HydrophobicContact CE2-CG2 4.31Å; Y71-I169 HydrophobicContact CG-CG2 4.04Å; Y71-I193 HydrophobicContact CE2-CG2 4.34Å; Y71-I193 WeakPolarHBondContact OH-CG2 3.3Å; Y71-E194 PolarHBondContact OH-O 2.89Å; Y71-E194 VanDerWaalsContact OH-O 3.12Å; Y71-V195 PolarHBondContact OH-N 3.14Å |
| 72 | G | 95.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 53.2 Ų | 53.2 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | trans | -62 | 149 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111 | D74 S75 M158 H160 A168 | G72-D74 PolarHBondContact O-N 3.38Å; G72-S75 VanDerWaalsContact O-CB 3.28Å; G72-S75 WeakPolarHBondContact O-CB 3.44Å; G72-S75 PolarHBondContact O-N 3.37Å; G72-S75 VanDerWaalsContact O-N 3.11Å; G72-M158 CarbonylContact C-O 3.57Å; G72-M158 WeakPolarHBondContact CA-O 3.16Å; G72-H160 WeakPolarHBondContact CA-NE2 3.31Å; G72-A168 PolarHBondContact N-O 2.96Å | ||
| 73 | Q | 93.6 | Very high | 95.8 | Very high | 66 Ų | 66 | 50.3 Ų | 50.3 | 31% | 0.308 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -31.5 | -178.2 | -69 | -179.3 | -21.4 | 0 | 0 | 112.1 | P157 M158 | Q73-P157 HydrophobicContact CG-CB 4.31Å; Q73-M158 PolarHBondContact N-O 3.41Å |
| 74 | D | 95.1 | Very high | 96.2 | Very high | 60 Ų | 60 | 42.7 Ų | 42.7 | 32% | 0.321 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 9.7 | -179.4 | -49.5 | -82.3 | 0 | 0 | 0 | 111.7 | G72 S159 H160 | G72-D74 PolarHBondContact O-N 3.38Å; D74-S159 WeakPolarHBondContact OD2-CA 3.32Å; D74-S159 PolarHBondContact OD2-OG 3.45Å; D74-S159 VanDerWaalsContact OD2-OG 3.12Å; D74-H160 PolarHBondContact OD2-N 3.48Å |
| 75 | S | 97 | Very high | 96.4 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -80.2 | 142.2 | -179 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | G72 L77 H160 A168 | G72-S75 VanDerWaalsContact O-CB 3.28Å; G72-S75 WeakPolarHBondContact O-CB 3.44Å; G72-S75 PolarHBondContact O-N 3.37Å; G72-S75 VanDerWaalsContact O-N 3.11Å; S75-L77 PolarHBondContact O-N 3.38Å; S75-H160 PolarHBondContact N-CE1 3.39Å; S75-H160 VanDerWaalsContact N-CE1 3.35Å; S75-A168 PolarHBondContact OG-N 2.92Å; S75-A168 PolarHBondContact OG-O 3.16Å |
| 76 | P | 97.1 | Very high | 96.6 | Very high | 35 Ų | 35 | 35.8 Ų | 35.8 | 23% | 0.227 | 20% | 0.202 | C | C | . | . | trans | -52.7 | 134.9 | 161.4 | -23.8 | 34.2 | 0 | 0 | 0 | 110.9 | E78 I166 V167 | P76-E78 HydrophobicContact CB-CG 4.06Å; P76-E78 PolarHBondContact O-N 3.41Å; P76-I166 WeakPolarHBondContact CD-O 3.45Å; P76-V167 HydrophobicContact CB-CG2 4.43Å | ||
| 77 | L | 96.6 | Very high | 96.7 | Very high | 81 Ų | 81 | 35.1 Ų | 35.1 | 42% | 0.424 | 20% | 0.197 | S | C | . | . | trans | -96.5 | 68.4 | 177 | -67 | 175.9 | 0 | 0 | 0 | 109.8 | W43 Y71 S75 V195 | W43-L77 HydrophobicContact CB-CD2 3.86Å; W43-L77 HydrophobicContact CD2-CD1 4.03Å; W43-L77 HydrophobicContact CD2-CD2 4.32Å; W43-L77 HydrophobicContact CG-CD1 4.07Å; W43-L77 HydrophobicContact CG-CD2 3.79Å; W43-L77 HydrophobicContact CZ2-CD1 4.18Å; Y71-L77 HydrophobicContact CD1-CD2 3.92Å; Y71-L77 HydrophobicContact CD2-CD2 4.45Å; Y71-L77 HydrophobicContact CG-CD2 3.87Å; S75-L77 PolarHBondContact O-N 3.38Å; L77-V195 VanDerWaalsContact C-CG2 3.48Å; L77-V195 HydrophobicContact CB-CG2 4.32Å; L77-V195 WeakPolarHBondContact O-CG2 3.37Å | ||
| 78 | E | 97.3 | Very high | 96.8 | Very high | 106 Ų | 106 | 34.6 Ų | 34.6 | 50% | 0.495 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -138.2 | 155.9 | -179.9 | 64.9 | -178.2 | -172.3 | 0 | 0 | 110.7 | P76 V167 | P76-E78 HydrophobicContact CB-CG 4.06Å; P76-E78 PolarHBondContact O-N 3.41Å; E78-V167 HydrophobicContact CG-CG2 3.78Å; E78-V167 WeakPolarHBondContact O-CG2 3.46Å |
| 79 | P | 97.9 | Very high | 96.7 | Very high | 93 Ų | 93 | 34.8 Ų | 34.8 | 60% | 0.604 | 21% | 0.211 | S | C | * | . | trans | -73.5 | 142.7 | 179.5 | 30.3 | -34.7 | 0 | 0 | 0 | 111.5 | I193 E194 | P79-I193 CarbonylContact C-O 3.52Å; P79-I193 WeakPolarHBondContact CA-O 3.4Å; P79-E194 HydrophobicContact CB-CG 4.36Å | ||
| 80 | V | 98.4 | Very high | 96.2 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 12% | 0.121 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 149.6 | 173.7 | 71.4 | 0 | 0 | 0 | 0 | 110.5 | L117 V167 I193 | V80-L117 HydrophobicContact CG1-CD2 3.95Å; V80-L117 HydrophobicContact CG2-CD2 3.94Å; V80-V167 HydrophobicContact CB-CB 4.23Å; V80-V167 HydrophobicContact CB-CG2 4.12Å; V80-V167 HydrophobicContact CG1-CB 3.71Å; V80-V167 HydrophobicContact CG1-CG1 3.75Å; V80-V167 HydrophobicContact CG1-CG2 4.09Å; V80-I193 HydrophobicContact CG1-CB 3.97Å; V80-I193 HydrophobicContact CG1-CD1 3.77Å; V80-I193 HydrophobicContact CG1-CG1 4.19Å; V80-I193 PolarHBondContact N-O 3.38Å; V80-I193 PolarHBondContact O-N 3.2Å |
| 81 | S | 98 | Very high | 95.7 | Very high | 59 Ų | 59 | 44 Ų | 44 | 41% | 0.413 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 147.9 | 174.1 | 66.8 | 0 | 0 | 0 | 0 | 112.3 | S115 M191 | S81-S115 PolarHBondContact O-OG 3.41Å; S81-M191 VanDerWaalsContact CA-O 3.27Å; S81-M191 WeakPolarHBondContact CA-O 3.48Å |
| 82 | G | 97.4 | Very high | 95.5 | Very high | 5 Ų | 5 | 45 Ų | 45 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.6 | 171.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S115 T190 M191 | G82-S115 CarbonylContact C-O 3.57Å; G82-S115 WeakPolarHBondContact CA-O 3.39Å; G82-T190 WeakPolarHBondContact O-CA 3.46Å; G82-T190 WeakPolarHBondContact O-CG2 3.3Å; G82-M191 PolarHBondContact N-O 2.85Å; G82-M191 PolarHBondContact O-N 3.16Å |
| 83 | V | 97.9 | Very high | 95.6 | Very high | 15 Ų | 15 | 46.7 Ų | 46.7 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 133 | 171.8 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | P105 V114 S115 W116 L117 Q188 | V83-P105 HydrophobicContact CG1-CG 4.3Å; V83-V114 HydrophobicContact CB-CG2 4.48Å; V83-V114 HydrophobicContact CG2-CG2 4.01Å; V83-S115 PolarHBondContact N-O 2.81Å; V83-W116 CarbonylContact O-C 3.6Å; V83-W116 VanDerWaalsContact O-CA 3.26Å; V83-W116 WeakPolarHBondContact O-CA 3.49Å; V83-W116 WeakPolarHBondContact O-CB 3.41Å; V83-L117 PolarHBondContact O-N 3.28Å; V83-Q188 HydrophobicContact CG1-CG 3.94Å |
| 84 | L | 98.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 127.1 | 177 | -75 | 162.3 | 0 | 0 | 0 | 110.6 | L117 L119 V144 I179 I183 V189 M191 | L84-L117 WeakPolarHBondContact CA-O 3.31Å; L84-L117 HydrophobicContact CD2-CB 3.81Å; L84-L117 HydrophobicContact CD2-CD1 4.42Å; L84-L119 HydrophobicContact CD2-CB 4.33Å; L84-V144 HydrophobicContact CD2-CB 4.23Å; L84-V144 HydrophobicContact CD2-CG2 3.92Å; L84-I179 HydrophobicContact CD1-CD1 4.28Å; L84-I179 HydrophobicContact CD1-CG2 3.69Å; L84-I183 HydrophobicContact CB-CD1 3.86Å; L84-I183 WeakPolarHBondContact O-CD1 3.42Å; L84-V189 HydrophobicContact CD1-CB 4.4Å; L84-V189 HydrophobicContact CD1-CG1 3.92Å; L84-V189 PolarHBondContact N-O 3.42Å; L84-M191 HydrophobicContact CD1-CB 3.78Å; L84-M191 HydrophobicContact CD1-CE 3.95Å; L84-M191 HydrophobicContact CD1-SD 4.45Å; L84-M191 HydrophobicContact CD2-CB 4.48Å; L84-M191 HydrophobicContact CD2-SD 4.41Å; L84-M191 HydrophobicContact CG-CB 4.09Å |
| 85 | V | 98.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 115.9 | -177.8 | -172.1 | 0 | 0 | 0 | 0 | 109.6 | F102 T103 W116 L117 A118 L119 | V85-F102 HydrophobicContact CG1-CB 3.98Å; V85-F102 HydrophobicContact CG1-CD1 4.36Å; V85-T103 WeakPolarHBondContact CG1-O 3.44Å; V85-W116 HydrophobicContact CB-CE3 3.74Å; V85-W116 HydrophobicContact CB-CZ3 4.09Å; V85-W116 HydrophobicContact CG2-CB 4.19Å; V85-W116 HydrophobicContact CG2-CD2 4.48Å; V85-W116 HydrophobicContact CG2-CE3 3.92Å; V85-L117 PolarHBondContact N-O 3.46Å; V85-A118 WeakPolarHBondContact O-CA 3.48Å; V85-L119 PolarHBondContact O-N 2.78Å |
| 86 | P | 98.3 | Very high | 95.8 | Very high | 17 Ų | 17 | 44.3 Ų | 44.3 | 11% | 0.11 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 162.5 | 174 | 34.3 | -34.7 | 0 | 0 | 0 | 111.7 | L119 L180 I183 | P86-L119 WeakPolarHBondContact CA-O 3.46Å; P86-L180 HydrophobicContact CB-CD1 3.58Å; P86-L180 HydrophobicContact CG-CD1 3.86Å; P86-I183 HydrophobicContact CG-CG2 4.04Å |
| 87 | P | 98.1 | Very high | 95.8 | Very high | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 142.3 | 169.2 | -31.2 | 38.3 | 0 | 0 | 0 | 113.9 | A92 A95 T100 F102 L119 I120 | P87-A92 HydrophobicContact CB-CB 4.06Å; P87-A92 WeakPolarHBondContact CB-O 3.27Å; P87-A92 WeakPolarHBondContact CG-O 3.29Å; P87-A95 HydrophobicContact CG-CB 3.97Å; P87-T100 HydrophobicContact CB-CG2 3.62Å; P87-T100 HydrophobicContact CG-CG2 4.23Å; P87-F102 HydrophobicContact CB-CE1 4.38Å; P87-F102 HydrophobicContact CG-CE1 3.76Å; P87-F102 HydrophobicContact CG-CZ 4.11Å; P87-L119 WeakPolarHBondContact CD-O 3.31Å; P87-I120 HydrophobicContact CG-CG1 4.41Å |
| 88 | D | 95.7 | Very high | 95.7 | Very high | 63 Ų | 63 | 47.3 Ų | 47.3 | 34% | 0.337 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -75.4 | 140.5 | 175.3 | -61.2 | -39.1 | 0 | 0 | 0 | 111.9 | A92 N101 F102 T103 | D88-A92 WeakPolarHBondContact O-CB 3.39Å; D88-N101 PolarHBondContact N-O 3.3Å; D88-N101 VanDerWaalsContact OD2-C 3.25Å; D88-F102 WeakPolarHBondContact OD2-CA 3.41Å; D88-F102 PolarHBondContact OD2-N 2.84Å; D88-T103 VanDerWaalsContact CG-OG1 3.24Å; D88-T103 WeakPolarHBondContact OD1-CB 3.37Å; D88-T103 PolarHBondContact OD1-N 3.38Å; D88-T103 VanDerWaalsContact OD1-N 3.15Å; D88-T103 PolarHBondContact OD1-OG1 3.4Å; D88-T103 PolarHBondContact OD2-N 3.43Å; D88-T103 PolarHBondContact OD2-OG1 3.07Å |
| 89 | G | 90.1 | Very high | 95.6 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 52% | 0.515 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 94.4 | 154.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | G91 A92 | G89-G91 PolarHBondContact O-N 2.55Å; G89-A92 PolarHBondContact O-N 3.47Å |
| 90 | P | 85.4 | Confident | 95.5 | Very high | 141 Ų | 141 | 45.3 Ų | 45.3 | 92% | 0.916 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 132.5 | 179.5 | 28.2 | -33.7 | 0 | 0 | 0 | 110.6 | A92 | P90-A92 VanDerWaalsContact C-N 3.27Å; P90-A92 PolarHBondContact O-N 3.28Å |
| 91 | G | 85.4 | Confident | 95.4 | Very high | 74 Ų | 74 | 49 Ų | 49 | 76% | 0.763 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | -3.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | G89 L93 | G89-G91 PolarHBondContact O-N 2.55Å; G91-L93 VanDerWaalsContact C-N 3.33Å; G91-L93 PolarHBondContact O-N 3.43Å |
| 92 | A | 93.9 | Very high | 95.4 | Very high | 23 Ų | 23 | 47.2 Ų | 47.2 | 19% | 0.19 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -84.9 | 0.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P87 D88 G89 P90 N94 A95 | P87-A92 HydrophobicContact CB-CB 4.06Å; P87-A92 WeakPolarHBondContact CB-O 3.27Å; P87-A92 WeakPolarHBondContact CG-O 3.29Å; D88-A92 WeakPolarHBondContact O-CB 3.39Å; G89-A92 PolarHBondContact O-N 3.47Å; P90-A92 VanDerWaalsContact C-N 3.27Å; P90-A92 PolarHBondContact O-N 3.28Å; A92-N94 PolarHBondContact O-N 2.94Å; A92-A95 PolarHBondContact O-N 3.26Å |
| 93 | L | 96.7 | Very high | 95.3 | Very high | 41 Ų | 41 | 52 Ų | 52 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -54.9 | -27.1 | -174.4 | -66.5 | 176.7 | 0 | 0 | 0 | 114 | G91 A95 Q121 L180 | G91-L93 VanDerWaalsContact C-N 3.33Å; G91-L93 PolarHBondContact O-N 3.43Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-Q121 HydrophobicContact CB-CB 4.06Å; L93-Q121 WeakPolarHBondContact O-CB 3.24Å; L93-Q121 PolarHBondContact O-N 3.32Å; L93-L180 HydrophobicContact CD1-CD2 3.77Å; L93-L180 HydrophobicContact CD2-CD1 3.89Å; L93-L180 HydrophobicContact CD2-CD2 3.72Å; L93-L180 HydrophobicContact CD2-CG 4.46Å; L93-L180 HydrophobicContact CG-CD2 4.4Å |
| 94 | N | 97.3 | Very high | 95.2 | Very high | 36 Ų | 36 | 52.3 Ų | 52.3 | 19% | 0.193 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -79.9 | -13.1 | 178 | -63.6 | -51.2 | 0 | 0 | 0 | 113.5 | A92 C96 Q121 R122 K131 | A92-N94 PolarHBondContact O-N 2.94Å; N94-C96 PolarHBondContact O-N 2.93Å; N94-C96 VanDerWaalsContact O-N 3.1Å; N94-Q121 PolarHBondContact OD1-O 3.43Å; N94-R122 PolarHBondContact OD1-O 2.89Å; N94-K131 PolarHBondContact O-NZ 3.05Å |
| 95 | A | 97.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | trans | 51.3 | 32.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | P87 A92 L93 N97 T100 I120 L134 | P87-A95 HydrophobicContact CG-CB 3.97Å; A92-A95 PolarHBondContact O-N 3.26Å; L93-A95 VanDerWaalsContact C-N 3.33Å; A95-N97 VanDerWaalsContact C-N 3.35Å; A95-T100 HydrophobicContact CB-CG2 4.27Å; A95-I120 HydrophobicContact CB-CD1 4.01Å; A95-I120 HydrophobicContact CB-CG1 4.13Å; A95-I120 HydrophobicContact CB-CG2 3.69Å; A95-L134 HydrophobicContact CB-CD2 3.81Å; A95-L134 WeakPolarHBondContact O-CD2 3.39Å | ||
| 96 | C | 96.6 | Very high | 94.5 | Very high | 49 Ų | 49 | 57.9 Ų | 57.9 | 33% | 0.331 | 36% | 0.364 | S | S | . | . | trans | -80.3 | -16.7 | -179.9 | -63.2 | 0 | 0 | 0 | 0 | 113.5 | N94 G124 C126 | N94-C96 PolarHBondContact O-N 2.93Å; N94-C96 VanDerWaalsContact O-N 3.1Å; C96-G124 VanDerWaalsContact SG-C 3.54Å; C96-G124 PolarHBondContact SG-O 3.26Å; C96-C126 WeakPolarHBondContact CA-SG 3.41Å; C96-C126 HydrophobicContact CB-CB 3.62Å; C96-C126 WeakPolarHBondContact CB-SG 3.35Å; C96-C126 WeakPolarHBondContact SG-CB 3.49Å; C96-C126 PolarHBondContact SG-N 2.75Å; C96-C126 VanDerWaalsContact SG-N 3.44Å; C96-C126 CovalentContact SG-SG 2.05Å; C96-C126 PolarHBondContact SG-SG 2.99Å | ||
| 97 | N | 96 | Very high | 94.1 | Very high | 92 Ų | 92 | 60.6 Ų | 60.6 | 49% | 0.492 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -81.1 | 124.4 | 173.4 | -176.1 | -22.9 | 0 | 0 | 0 | 108.8 | A95 H99 T100 | A95-N97 VanDerWaalsContact C-N 3.35Å; N97-H99 PolarHBondContact O-N 3.31Å; N97-H99 VanDerWaalsContact O-N 3.07Å; N97-H99 WeakPolarHBondContact OD1-CB 3.34Å; N97-H99 PolarHBondContact OD1-N 2.93Å; N97-T100 VanDerWaalsContact O-CB 3.28Å; N97-T100 WeakPolarHBondContact O-CB 3.12Å; N97-T100 PolarHBondContact O-N 3.06Å; N97-T100 PolarHBondContact O-OG1 3.2Å |
| 98 | P | 94.7 | Very high | 93.2 | Very high | 87 Ų | 87 | 72.4 Ų | 72.4 | 57% | 0.565 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -15 | 179.7 | 27 | -36.2 | 0 | 0 | 0 | 113.6 | L134 R138 | P98-L134 WeakPolarHBondContact O-CD1 3.38Å; P98-R138 PolarHBondContact O-NH2 3.41Å |
| 99 | H | 95.3 | Very high | 92.5 | Very high | 145 Ų | 145 | 73.4 Ų | 73.4 | 67% | 0.671 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 12.9 | 174.6 | -55.8 | -63 | 0 | 0 | 0 | 113.5 | N97 N101 | N97-H99 PolarHBondContact O-N 3.31Å; N97-H99 VanDerWaalsContact O-N 3.07Å; N97-H99 WeakPolarHBondContact OD1-CB 3.34Å; N97-H99 PolarHBondContact OD1-N 2.93Å; H99-N101 PolarHBondContact O-N 3.26Å |
| 100 | T | 97.1 | Very high | 92.4 | Very high | 11 Ų | 11 | 73.2 Ų | 73.2 | 7% | 0.067 | 44% | 0.44 | C | S | . | . | trans | -59.9 | 137.4 | 173.2 | -57.1 | 0 | 0 | 0 | 0 | 109.8 | P87 A95 N97 F102 R138 | P87-T100 HydrophobicContact CB-CG2 3.62Å; P87-T100 HydrophobicContact CG-CG2 4.23Å; A95-T100 HydrophobicContact CB-CG2 4.27Å; N97-T100 VanDerWaalsContact O-CB 3.28Å; N97-T100 WeakPolarHBondContact O-CB 3.12Å; N97-T100 PolarHBondContact O-N 3.06Å; N97-T100 PolarHBondContact O-OG1 3.2Å; T100-F102 HydrophobicContact CG2-CE2 4.41Å; T100-R138 PolarHBondContact O-NE 3.24Å; T100-R138 PolarHBondContact O-NH2 2.97Å | ||
| 101 | N | 96.4 | Very high | 92.3 | Very high | 98 Ų | 98 | 73 Ų | 73 | 52% | 0.524 | 44% | 0.436 | S | S | . | . | trans | -112.5 | 160.9 | -179.7 | -69.3 | -33 | 0 | 0 | 0 | 111 | D88 H99 | D88-N101 PolarHBondContact N-O 3.3Å; D88-N101 VanDerWaalsContact OD2-C 3.25Å; H99-N101 PolarHBondContact O-N 3.26Å | ||
| 102 | F | 97.4 | Very high | 92.3 | Very high | 22 Ų | 22 | 73.9 Ų | 73.9 | 10% | 0.096 | 43% | 0.426 | C | S | . | . | trans | -133.2 | 127.1 | 178.5 | -62.2 | -95.4 | 0 | 0 | 0 | 108.9 | V85 P87 D88 T100 V104 W116 A118 I120 R138 | V85-F102 HydrophobicContact CG1-CB 3.98Å; V85-F102 HydrophobicContact CG1-CD1 4.36Å; P87-F102 HydrophobicContact CB-CE1 4.38Å; P87-F102 HydrophobicContact CG-CE1 3.76Å; P87-F102 HydrophobicContact CG-CZ 4.11Å; D88-F102 WeakPolarHBondContact OD2-CA 3.41Å; D88-F102 PolarHBondContact OD2-N 2.84Å; T100-F102 HydrophobicContact CG2-CE2 4.41Å; F102-V104 HydrophobicContact CB-CG2 4.01Å; F102-V104 PolarHBondContact O-N 3.22Å; F102-W116 HydrophobicContact CB-CH2 3.83Å; F102-W116 HydrophobicContact CB-CZ3 3.99Å; F102-W116 HydrophobicContact CD1-CH2 4.09Å; F102-W116 AromaticContact CD1-CZ3 3.8Å; F102-W116 HydrophobicContact CD1-CZ3 3.8Å; F102-W116 AromaticContact CD2-CH2 3.91Å; F102-W116 HydrophobicContact CD2-CH2 3.91Å; F102-W116 HydrophobicContact CD2-CZ3 4.46Å; F102-W116 HydrophobicContact CE1-CZ3 4.39Å; F102-W116 AromaticContact CG-CH2 3.68Å; F102-W116 HydrophobicContact CG-CH2 3.68Å; F102-W116 AromaticContact CG-CZ3 3.84Å; F102-W116 HydrophobicContact CG-CZ3 3.84Å; F102-A118 HydrophobicContact CE1-CB 4.04Å; F102-A118 HydrophobicContact CZ-CB 4.34Å; F102-I120 HydrophobicContact CE1-CG1 4.41Å; F102-I120 HydrophobicContact CZ-CD1 4.24Å; F102-I120 HydrophobicContact CZ-CG1 4.41Å; F102-R138 HydrophobicContact CD2-CB 4.16Å; F102-R138 HydrophobicContact CD2-CG 3.97Å; F102-R138 HydrophobicContact CE2-CB 4.47Å; F102-R138 HydrophobicContact CE2-CG 4.09Å | ||
| 103 | T | 95.4 | Very high | 92.1 | Very high | 105 Ų | 105 | 77.1 Ų | 77.1 | 64% | 0.644 | 44% | 0.438 | S | S | * | . | trans | -80.2 | 84.3 | 174.2 | -56.1 | 0 | 0 | 0 | 0 | 110.5 | V85 D88 | V85-T103 WeakPolarHBondContact CG1-O 3.44Å; D88-T103 VanDerWaalsContact CG-OG1 3.24Å; D88-T103 WeakPolarHBondContact OD1-CB 3.37Å; D88-T103 PolarHBondContact OD1-N 3.38Å; D88-T103 VanDerWaalsContact OD1-N 3.15Å; D88-T103 PolarHBondContact OD1-OG1 3.4Å; D88-T103 PolarHBondContact OD2-N 3.43Å; D88-T103 PolarHBondContact OD2-OG1 3.07Å | ||
| 104 | V | 94.9 | Very high | 92 | Very high | 22 Ų | 22 | 77.1 Ų | 77.1 | 13% | 0.133 | 44% | 0.439 | C | S | . | . | trans | -84.4 | 130.9 | -176.2 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | F102 Q113 W116 | F102-V104 HydrophobicContact CB-CG2 4.01Å; F102-V104 PolarHBondContact O-N 3.22Å; V104-Q113 HydrophobicContact CB-CG 4.22Å; V104-Q113 HydrophobicContact CG1-CB 3.89Å; V104-Q113 HydrophobicContact CG1-CG 3.91Å; V104-W116 HydrophobicContact CG1-CB 4.03Å; V104-W116 VanDerWaalsContact CG1-CD1 3.47Å; V104-W116 HydrophobicContact CG1-CD2 3.99Å; V104-W116 HydrophobicContact CG1-CG 3.56Å; V104-W116 HydrophobicContact CG2-CD2 3.69Å; V104-W116 VanDerWaalsContact CG2-CE2 3.5Å; V104-W116 HydrophobicContact CG2-CE3 4.05Å; V104-W116 HydrophobicContact CG2-CG 4.19Å; V104-W116 HydrophobicContact CG2-CH2 4.06Å; V104-W116 HydrophobicContact CG2-CZ2 3.7Å; V104-W116 HydrophobicContact CG2-CZ3 4.22Å | ||
| 105 | P | 91.6 | Very high | 91.9 | Very high | 51 Ų | 51 | 78.3 Ų | 78.3 | 33% | 0.331 | 45% | 0.45 | S | S | . | . | trans | -63.7 | 146.4 | 173.6 | -20.3 | 32.1 | 0 | 0 | 0 | 113 | V83 V114 | V83-P105 HydrophobicContact CG1-CG 4.3Å; P105-V114 HydrophobicContact CB-CG2 4.02Å; P105-V114 HydrophobicContact CG-CG2 4.44Å; P105-V114 WeakPolarHBondContact O-CG2 3.42Å; P105-V114 PolarHBondContact O-N 3.36Å | ||
| 106 | T | 91.5 | Very high | 92 | Very high | 77 Ų | 77 | 78.2 Ų | 78.2 | 47% | 0.472 | 45% | 0.449 | S | S | . | . | B | Isolated β-bridge | trans | -108.5 | 157.3 | 176.8 | 59.8 | 0 | 0 | 0 | 0 | 112.5 | S110 V112 | T106-S110 WeakPolarHBondContact CB-O 3.42Å; T106-S110 PolarHBondContact OG1-O 2.93Å; T106-V112 CarbonylContact C-O 3.46Å; T106-V112 VanDerWaalsContact CA-O 3.29Å; T106-V112 WeakPolarHBondContact CA-O 3.38Å; T106-V112 WeakPolarHBondContact CB-O 3.24Å |
| 107 | V | 88.3 | Confident | 92.1 | Very high | 75 Ų | 75 | 75.9 Ų | 75.9 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | trans | -66.3 | 135.3 | 172 | 178.8 | 0 | 0 | 0 | 0 | 109 | G109 S110 V112 V114 | V107-G109 PolarHBondContact O-N 2.86Å; V107-S110 WeakPolarHBondContact CB-OG 3.43Å; V107-S110 PolarHBondContact O-N 3.24Å; V107-S110 PolarHBondContact O-OG 3.46Å; V107-V112 PolarHBondContact N-O 3Å; V107-V114 HydrophobicContact CG2-CG1 3.96Å | ||
| 108 | W | 80.7 | Confident | 92.2 | Very high | 256 Ų | 256 | 71.5 Ų | 71.5 | 97% | 0.97 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 124.6 | -174 | -172.6 | 66.5 | 0 | 0 | 0 | 112.2 | S110 | W108-S110 VanDerWaalsContact C-N 3.34Š|
| 109 | G | 81.2 | Confident | 92.4 | Very high | 83 Ų | 83 | 67.4 Ų | 67.4 | 86% | 0.856 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 10.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | V107 | V107-G109 PolarHBondContact O-N 2.86Š|
| 110 | S | 87.1 | Confident | 92.6 | Very high | 47 Ų | 47 | 60.5 Ų | 60.5 | 33% | 0.329 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -136.1 | 165.8 | 178.5 | 79.6 | 0 | 0 | 0 | 0 | 112.8 | T106 V107 W108 V112 | T106-S110 WeakPolarHBondContact CB-O 3.42Å; T106-S110 PolarHBondContact OG1-O 2.93Å; V107-S110 WeakPolarHBondContact CB-OG 3.43Å; V107-S110 PolarHBondContact O-N 3.24Å; V107-S110 PolarHBondContact O-OG 3.46Å; W108-S110 VanDerWaalsContact C-N 3.34Å; S110-V112 VanDerWaalsContact C-N 3.32Å; S110-V112 PolarHBondContact OG-N 2.87Å |
| 111 | T | 83.2 | Confident | 92.6 | Very high | 135 Ų | 135 | 61.5 Ų | 61.5 | 83% | 0.828 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -89.3 | 2.4 | 170.3 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 112 | V | 86.6 | Confident | 92.7 | Very high | 93 Ų | 93 | 59.7 Ų | 59.7 | 56% | 0.564 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 126 | -177.8 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | T106 V107 S110 | T106-V112 CarbonylContact C-O 3.46Å; T106-V112 VanDerWaalsContact CA-O 3.29Å; T106-V112 WeakPolarHBondContact CA-O 3.38Å; T106-V112 WeakPolarHBondContact CB-O 3.24Å; V107-V112 PolarHBondContact N-O 3Å; S110-V112 VanDerWaalsContact C-N 3.32Å; S110-V112 PolarHBondContact OG-N 2.87Å |
| 113 | Q | 89.3 | Confident | 92.6 | Very high | 92 Ų | 92 | 60 Ų | 60 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -68.3 | 143.7 | 176.9 | -68.7 | 177.8 | -7.9 | 0 | 0 | 110.7 | V104 | V104-Q113 HydrophobicContact CB-CG 4.22Å; V104-Q113 HydrophobicContact CG1-CB 3.89Å; V104-Q113 HydrophobicContact CG1-CG 3.91Å |
| 114 | V | 93.6 | Very high | 92.5 | Very high | 40 Ų | 40 | 57.6 Ų | 57.6 | 24% | 0.242 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 159.6 | 169 | -57.4 | 0 | 0 | 0 | 0 | 110.1 | V83 P105 V107 W116 | V83-V114 HydrophobicContact CB-CG2 4.48Å; V83-V114 HydrophobicContact CG2-CG2 4.01Å; P105-V114 HydrophobicContact CB-CG2 4.02Å; P105-V114 HydrophobicContact CG-CG2 4.44Å; P105-V114 WeakPolarHBondContact O-CG2 3.42Å; P105-V114 PolarHBondContact O-N 3.36Å; V107-V114 HydrophobicContact CG2-CG1 3.96Å; V114-W116 VanDerWaalsContact O-CD1 3.28Å; V114-W116 PolarHBondContact O-N 2.92Å |
| 115 | S | 96.4 | Very high | 92.5 | Very high | 61 Ų | 61 | 60.7 Ų | 60.7 | 43% | 0.427 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 125.2 | 168.4 | -171.1 | 0 | 0 | 0 | 0 | 110 | S81 G82 V83 S141 | S81-S115 PolarHBondContact O-OG 3.41Å; G82-S115 CarbonylContact C-O 3.57Å; G82-S115 WeakPolarHBondContact CA-O 3.39Å; V83-S115 PolarHBondContact N-O 2.81Å; S115-S141 PolarHBondContact OG-OG 3.41Å |
| 116 | W | 98.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.008 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 154.6 | -171.8 | 72.9 | -79.5 | 0 | 0 | 0 | 112 | V83 V85 F102 V104 V114 A118 R138 G139 A140 S141 | V83-W116 CarbonylContact O-C 3.6Å; V83-W116 VanDerWaalsContact O-CA 3.26Å; V83-W116 WeakPolarHBondContact O-CA 3.49Å; V83-W116 WeakPolarHBondContact O-CB 3.41Å; V85-W116 HydrophobicContact CB-CE3 3.74Å; V85-W116 HydrophobicContact CB-CZ3 4.09Å; V85-W116 HydrophobicContact CG2-CB 4.19Å; V85-W116 HydrophobicContact CG2-CD2 4.48Å; V85-W116 HydrophobicContact CG2-CE3 3.92Å; F102-W116 HydrophobicContact CB-CH2 3.83Å; F102-W116 HydrophobicContact CB-CZ3 3.99Å; F102-W116 HydrophobicContact CD1-CH2 4.09Å; F102-W116 AromaticContact CD1-CZ3 3.8Å; F102-W116 HydrophobicContact CD1-CZ3 3.8Å; F102-W116 AromaticContact CD2-CH2 3.91Å; F102-W116 HydrophobicContact CD2-CH2 3.91Å; F102-W116 HydrophobicContact CD2-CZ3 4.46Å; F102-W116 HydrophobicContact CE1-CZ3 4.39Å; F102-W116 AromaticContact CG-CH2 3.68Å; F102-W116 HydrophobicContact CG-CH2 3.68Å; F102-W116 AromaticContact CG-CZ3 3.84Å; F102-W116 HydrophobicContact CG-CZ3 3.84Å; V104-W116 HydrophobicContact CG1-CB 4.03Å; V104-W116 VanDerWaalsContact CG1-CD1 3.47Å; V104-W116 HydrophobicContact CG1-CD2 3.99Å; V104-W116 HydrophobicContact CG1-CG 3.56Å; V104-W116 HydrophobicContact CG2-CD2 3.69Å; V104-W116 VanDerWaalsContact CG2-CE2 3.5Å; V104-W116 HydrophobicContact CG2-CE3 4.05Å; V104-W116 HydrophobicContact CG2-CG 4.19Å; V104-W116 HydrophobicContact CG2-CH2 4.06Å; V104-W116 HydrophobicContact CG2-CZ2 3.7Å; V104-W116 HydrophobicContact CG2-CZ3 4.22Å; V114-W116 VanDerWaalsContact O-CD1 3.28Å; V114-W116 PolarHBondContact O-N 2.92Å; W116-A118 HydrophobicContact CH2-CB 4.37Å; W116-A118 HydrophobicContact CZ3-CB 3.77Å; W116-R138 HydrophobicContact CH2-CB 4.07Å; W116-R138 HydrophobicContact CZ2-CB 3.99Å; W116-R138 WeakPolarHBondContact CZ2-O 3.31Å; W116-G139 PolarHBondContact NE1-O 2.92Å; W116-G139 VanDerWaalsContact NE1-O 3.08Å; W116-A140 HydrophobicContact CD2-CB 4.04Å; W116-A140 VanDerWaalsContact CE2-CA 3.47Å; W116-A140 HydrophobicContact CE3-CB 4.08Å; W116-A140 HydrophobicContact CH2-CB 3.75Å; W116-A140 HydrophobicContact CZ2-CB 3.67Å; W116-A140 HydrophobicContact CZ3-CB 3.96Å; W116-S141 PolarHBondContact O-N 3.29Å |
| 117 | L | 98.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.5 | -177.4 | -60.3 | 176.7 | 0 | 0 | 0 | 109 | V80 V83 L84 V85 L119 G142 V144 M191 I193 | V80-L117 HydrophobicContact CG1-CD2 3.95Å; V80-L117 HydrophobicContact CG2-CD2 3.94Å; V83-L117 PolarHBondContact O-N 3.28Å; L84-L117 WeakPolarHBondContact CA-O 3.31Å; L84-L117 HydrophobicContact CD2-CB 3.81Å; L84-L117 HydrophobicContact CD2-CD1 4.42Å; V85-L117 PolarHBondContact N-O 3.46Å; L117-L119 PolarHBondContact O-N 3.48Å; L117-G142 CarbonylContact C-O 3.56Å; L117-G142 WeakPolarHBondContact CA-O 3.28Å; L117-V144 HydrophobicContact CB-CG2 4.3Å; L117-V144 HydrophobicContact CD1-CG2 4.43Å; L117-M191 HydrophobicContact CD1-CB 4.04Å; L117-M191 HydrophobicContact CD1-CG 4.36Å; L117-I193 HydrophobicContact CD1-CD1 3.97Å; L117-I193 HydrophobicContact CD1-CG1 4.38Å |
| 118 | A | 98.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 123.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V85 F102 W116 I120 A135 A140 G142 V144 | V85-A118 WeakPolarHBondContact O-CA 3.48Å; F102-A118 HydrophobicContact CE1-CB 4.04Å; F102-A118 HydrophobicContact CZ-CB 4.34Å; W116-A118 HydrophobicContact CH2-CB 4.37Å; W116-A118 HydrophobicContact CZ3-CB 3.77Å; A118-I120 HydrophobicContact CB-CD1 4.03Å; A118-I120 HydrophobicContact CB-CG1 4.22Å; A118-A135 HydrophobicContact CB-CB 3.54Å; A118-A140 HydrophobicContact CB-CB 4.23Å; A118-G142 PolarHBondContact N-O 3.41Å; A118-V144 PolarHBondContact O-N 3.38Å |
| 119 | L | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 102 | 176.9 | -179.6 | 67.3 | 0 | 0 | 0 | 110.3 | L84 V85 P86 P87 L117 V144 F146 I179 L180 I183 | L84-L119 HydrophobicContact CD2-CB 4.33Å; V85-L119 PolarHBondContact O-N 2.78Å; P86-L119 WeakPolarHBondContact CA-O 3.46Å; P87-L119 WeakPolarHBondContact CD-O 3.31Å; L117-L119 PolarHBondContact O-N 3.48Å; L119-V144 HydrophobicContact CD1-CB 4.31Å; L119-V144 HydrophobicContact CD1-CG1 4.03Å; L119-F146 HydrophobicContact CD1-CD1 3.73Å; L119-F146 HydrophobicContact CD1-CE1 4.27Å; L119-F146 HydrophobicContact CG-CD1 4.04Å; L119-F146 HydrophobicContact CG-CE1 4.07Å; L119-I179 HydrophobicContact CD2-CB 4.39Å; L119-I179 HydrophobicContact CD2-CG2 3.59Å; L119-L180 HydrophobicContact CD2-CB 4.17Å; L119-L180 HydrophobicContact CD2-CD1 4.45Å; L119-I183 HydrophobicContact CD2-CD1 3.95Å |
| 120 | I | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 137.3 | -170 | -57.5 | 170.3 | 0 | 0 | 0 | 110.7 | P87 A95 F102 A118 K131 A135 V144 I145 F146 | P87-I120 HydrophobicContact CG-CG1 4.41Å; A95-I120 HydrophobicContact CB-CD1 4.01Å; A95-I120 HydrophobicContact CB-CG1 4.13Å; A95-I120 HydrophobicContact CB-CG2 3.69Å; F102-I120 HydrophobicContact CE1-CG1 4.41Å; F102-I120 HydrophobicContact CZ-CD1 4.24Å; F102-I120 HydrophobicContact CZ-CG1 4.41Å; A118-I120 HydrophobicContact CB-CD1 4.03Å; A118-I120 HydrophobicContact CB-CG1 4.22Å; I120-K131 HydrophobicContact CD1-CB 4.18Å; I120-K131 WeakPolarHBondContact CD1-O 3.37Å; I120-K131 HydrophobicContact CG2-CB 4.1Å; I120-K131 HydrophobicContact CG2-CD 3.94Å; I120-K131 HydrophobicContact CG2-CG 3.93Å; I120-A135 HydrophobicContact CD1-CB 4.34Å; I120-V144 PolarHBondContact N-O 3.08Å; I120-I145 HydrophobicContact CB-CD1 3.85Å; I120-I145 HydrophobicContact CD1-CD1 4.48Å; I120-I145 HydrophobicContact CG2-CD1 4.36Å; I120-I145 CarbonylContact O-C 3.53Å; I120-I145 VanDerWaalsContact O-CA 3.26Å; I120-I145 WeakPolarHBondContact O-CA 3.49Å; I120-F146 VanDerWaalsContact O-CD1 3.25Å; I120-F146 WeakPolarHBondContact O-CD1 3.45Å; I120-F146 PolarHBondContact O-N 3.12Å |
| 121 | Q | 98.4 | Very high | 95.6 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 15% | 0.154 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 139.4 | 175.5 | -163.8 | 176.1 | -69 | 0 | 0 | 111.4 | L93 N94 K131 F146 | L93-Q121 HydrophobicContact CB-CB 4.06Å; L93-Q121 WeakPolarHBondContact O-CB 3.24Å; L93-Q121 PolarHBondContact O-N 3.32Å; N94-Q121 PolarHBondContact OD1-O 3.43Å; Q121-K131 PolarHBondContact O-NZ 2.99Å; Q121-F146 HydrophobicContact CB-CD1 4.46Å; Q121-F146 HydrophobicContact CB-CE1 3.76Å; Q121-F146 HydrophobicContact CB-CE2 3.89Å; Q121-F146 HydrophobicContact CB-CZ 3.43Å; Q121-F146 VanDerWaalsContact CB-CZ 3.43Å; Q121-F146 HydrophobicContact CG-CD2 4.16Å; Q121-F146 HydrophobicContact CG-CE1 4.35Å; Q121-F146 HydrophobicContact CG-CE2 3.56Å; Q121-F146 HydrophobicContact CG-CZ 3.66Å |
| 122 | R | 98.1 | Very high | 96.4 | Very high | 60 Ų | 60 | 37.7 Ų | 37.7 | 23% | 0.226 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -67.3 | 146 | 169 | -176.3 | -178 | 173 | -160.1 | 0.4 | 111.2 | N94 F128 I145 F146 N147 F148 I156 | N94-R122 PolarHBondContact OD1-O 2.89Å; R122-F128 HydrophobicContact CB-CE1 4.5Å; R122-F128 HydrophobicContact CG-CE1 3.8Å; R122-F128 HydrophobicContact CG-CZ 4.18Å; R122-I145 HydrophobicContact CB-CG2 4.1Å; R122-F146 WeakPolarHBondContact CB-O 3.38Å; R122-F146 PolarHBondContact N-O 3.24Å; R122-N147 VanDerWaalsContact CD-OD1 3.3Å; R122-N147 WeakPolarHBondContact CD-OD1 3.42Å; R122-N147 PolarHBondContact NH1-OD1 3.22Å; R122-F148 HydrophobicContact CB-CD1 4.49Å; R122-F148 HydrophobicContact CG-CD1 4.13Å; R122-I156 VanDerWaalsContact NH1-CD1 3.33Å |
| 123 | G | 95.2 | Very high | 96.9 | Very high | 28 Ų | 28 | 37 Ų | 37 | 29% | 0.289 | 24% | 0.239 | S | C | . | . | trans | 103.3 | -157 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | G125 K131 | G123-G125 VanDerWaalsContact C-N 3.34Å; G123-G125 PolarHBondContact O-N 3.26Å; G123-K131 PolarHBondContact O-NZ 3.38Å | ||
| 124 | G | 93.3 | Very high | 97.3 | Very high | 54 Ų | 54 | 33.3 Ų | 33.3 | 56% | 0.557 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | C96 | C96-G124 VanDerWaalsContact SG-C 3.54Å; C96-G124 PolarHBondContact SG-O 3.26Å |
| 125 | G | 95.6 | Very high | 97.6 | Very high | 88 Ų | 88 | 31.4 Ų | 31.4 | 91% | 0.907 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | 8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116 | G123 | G123-G125 VanDerWaalsContact C-N 3.34Å; G123-G125 PolarHBondContact O-N 3.26Å |
| 126 | C | 96.4 | Very high | 97.6 | Very high | 26 Ų | 26 | 33.4 Ų | 33.4 | 18% | 0.176 | 21% | 0.209 | C | C | . | . | trans | -121.2 | 160.2 | 173.3 | 63.6 | 0 | 0 | 0 | 0 | 112.1 | C96 D130 K131 | C96-C126 WeakPolarHBondContact CA-SG 3.41Å; C96-C126 HydrophobicContact CB-CB 3.62Å; C96-C126 WeakPolarHBondContact CB-SG 3.35Å; C96-C126 WeakPolarHBondContact SG-CB 3.49Å; C96-C126 PolarHBondContact SG-N 2.75Å; C96-C126 VanDerWaalsContact SG-N 3.44Å; C96-C126 CovalentContact SG-SG 2.05Å; C96-C126 PolarHBondContact SG-SG 2.99Å; C126-D130 HydrophobicContact CB-CB 4.06Å; C126-K131 PolarHBondContact SG-NZ 3.47Å; C126-K131 VanDerWaalsContact SG-NZ 3.4Å | ||
| 127 | T | 97.6 | Very high | 97.6 | Very high | 78 Ų | 78 | 38.4 Ų | 38.4 | 48% | 0.479 | 23% | 0.233 | S | C | . | . | trans | -79 | 172.5 | -175 | 69.9 | 0 | 0 | 0 | 0 | 112.5 | A129 D130 K131 | T127-A129 VanDerWaalsContact C-N 3.31Å; T127-A129 PolarHBondContact OG1-N 3.31Å; T127-D130 WeakPolarHBondContact CB-OD2 3.25Å; T127-D130 PolarHBondContact N-OD2 2.98Å; T127-D130 PolarHBondContact OG1-N 3.43Å; T127-D130 VanDerWaalsContact OG1-N 3.12Å; T127-D130 PolarHBondContact OG1-OD2 3.04Å; T127-K131 WeakPolarHBondContact O-CD 3.45Å; T127-K131 WeakPolarHBondContact O-CG 3.36Å | ||
| 128 | F | 98.1 | Very high | 97.5 | Very high | 33 Ų | 33 | 42 Ų | 42 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 169 | -62.9 | -60 | 0 | 0 | 0 | 111.3 | R122 D130 K131 I132 I145 I156 M158 H160 M170 | R122-F128 HydrophobicContact CB-CE1 4.5Å; R122-F128 HydrophobicContact CG-CE1 3.8Å; R122-F128 HydrophobicContact CG-CZ 4.18Å; F128-D130 VanDerWaalsContact C-N 3.34Å; F128-D130 PolarHBondContact O-N 2.9Å; F128-K131 PolarHBondContact O-N 3.39Å; F128-I132 HydrophobicContact CB-CD1 4.23Å; F128-I132 WeakPolarHBondContact O-CB 3.37Å; F128-I132 WeakPolarHBondContact O-CD1 3.28Å; F128-I132 VanDerWaalsContact O-CG1 3.22Å; F128-I132 WeakPolarHBondContact O-CG1 3.38Å; F128-I132 PolarHBondContact O-N 2.98Å; F128-I145 HydrophobicContact CD1-CG2 4.19Å; F128-I145 HydrophobicContact CE1-CG2 4.13Å; F128-I156 HydrophobicContact CE2-CD1 4.43Å; F128-I156 HydrophobicContact CZ-CD1 4.14Å; F128-M158 HydrophobicContact CB-CB 4.35Å; F128-M158 HydrophobicContact CB-SD 4.47Å; F128-M158 HydrophobicContact CD1-CB 4.42Å; F128-M158 HydrophobicContact CD1-CG 3.86Å; F128-M158 HydrophobicContact CD1-SD 3.54Å; F128-M158 VanDerWaalsContact CD1-SD 3.54Å; F128-M158 HydrophobicContact CD2-CB 3.87Å; F128-M158 HydrophobicContact CD2-CG 3.97Å; F128-M158 HydrophobicContact CE1-CG 3.9Å; F128-M158 HydrophobicContact CE1-SD 3.86Å; F128-M158 HydrophobicContact CE2-CB 4.26Å; F128-M158 HydrophobicContact CE2-CG 4Å; F128-M158 HydrophobicContact CG-CB 3.96Å; F128-M158 HydrophobicContact CG-CG 3.91Å; F128-M158 HydrophobicContact CG-SD 3.99Å; F128-M158 HydrophobicContact CZ-CG 3.98Å; F128-H160 HydrophobicContact CB-CB 4.26Å; F128-M170 HydrophobicContact CD1-CE 4.3Å; F128-M170 HydrophobicContact CE1-CE 3.28Å; F128-M170 HydrophobicContact CZ-CE 3.43Å; F128-M170 VanDerWaalsContact CZ-CE 3.43Å |
| 129 | A | 97.8 | Very high | 97.4 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T127 K131 I132 H133 H160 A163 | T127-A129 VanDerWaalsContact C-N 3.31Å; T127-A129 PolarHBondContact OG1-N 3.31Å; A129-K131 VanDerWaalsContact C-N 3.31Å; A129-K131 PolarHBondContact O-N 2.89Å; A129-I132 PolarHBondContact O-N 3.23Å; A129-H133 WeakPolarHBondContact O-CB 3.47Å; A129-H133 PolarHBondContact O-N 3Å; A129-H160 HydrophobicContact CB-CB 4.09Å; A129-A163 HydrophobicContact CB-CB 3.92Å |
| 130 | D | 97.7 | Very high | 97.3 | Very high | 80 Ų | 80 | 44.4 Ų | 44.4 | 43% | 0.428 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 179 | -56.7 | -40.9 | 0 | 0 | 0 | 112 | C126 T127 F128 L134 | C126-D130 HydrophobicContact CB-CB 4.06Å; T127-D130 WeakPolarHBondContact CB-OD2 3.25Å; T127-D130 PolarHBondContact N-OD2 2.98Å; T127-D130 PolarHBondContact OG1-N 3.43Å; T127-D130 VanDerWaalsContact OG1-N 3.12Å; T127-D130 PolarHBondContact OG1-OD2 3.04Å; F128-D130 VanDerWaalsContact C-N 3.34Å; F128-D130 PolarHBondContact O-N 2.9Å; D130-L134 VanDerWaalsContact O-CB 3.26Å; D130-L134 WeakPolarHBondContact O-CB 3.38Å; D130-L134 PolarHBondContact O-N 3.23Å |
| 131 | K | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.8 | -45.4 | -179.3 | -63.7 | 165.7 | -167.4 | -74.2 | 0 | 111.8 | N94 I120 Q121 G123 C126 T127 F128 A129 A135 I145 | N94-K131 PolarHBondContact O-NZ 3.05Å; I120-K131 HydrophobicContact CD1-CB 4.18Å; I120-K131 WeakPolarHBondContact CD1-O 3.37Å; I120-K131 HydrophobicContact CG2-CB 4.1Å; I120-K131 HydrophobicContact CG2-CD 3.94Å; I120-K131 HydrophobicContact CG2-CG 3.93Å; Q121-K131 PolarHBondContact O-NZ 2.99Å; G123-K131 PolarHBondContact O-NZ 3.38Å; C126-K131 PolarHBondContact SG-NZ 3.47Å; C126-K131 VanDerWaalsContact SG-NZ 3.4Å; T127-K131 WeakPolarHBondContact O-CD 3.45Å; T127-K131 WeakPolarHBondContact O-CG 3.36Å; F128-K131 PolarHBondContact O-N 3.39Å; A129-K131 VanDerWaalsContact C-N 3.31Å; A129-K131 PolarHBondContact O-N 2.89Å; K131-A135 PolarHBondContact O-N 3.01Å; K131-A135 VanDerWaalsContact O-N 3.13Å; K131-I145 HydrophobicContact CB-CD1 4.08Å; K131-I145 HydrophobicContact CD-CD1 4.4Å |
| 132 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.2 | -44 | -178.2 | -64.3 | 161.1 | 0 | 0 | 0 | 109.7 | F128 A129 L134 A135 Y136 A143 I145 H160 A163 I166 A168 | F128-I132 HydrophobicContact CB-CD1 4.23Å; F128-I132 WeakPolarHBondContact O-CB 3.37Å; F128-I132 WeakPolarHBondContact O-CD1 3.28Å; F128-I132 VanDerWaalsContact O-CG1 3.22Å; F128-I132 WeakPolarHBondContact O-CG1 3.38Å; F128-I132 PolarHBondContact O-N 2.98Å; A129-I132 PolarHBondContact O-N 3.23Å; I132-L134 PolarHBondContact O-N 3Å; I132-A135 WeakPolarHBondContact O-CB 3.4Å; I132-A135 PolarHBondContact O-N 3.41Å; I132-A135 VanDerWaalsContact O-N 3.14Å; I132-Y136 PolarHBondContact O-N 3.02Å; I132-A143 HydrophobicContact CB-CB 4.43Å; I132-A143 HydrophobicContact CG1-CB 4.03Å; I132-A143 HydrophobicContact CG2-CB 4.37Å; I132-I145 HydrophobicContact CG1-CD1 4.49Å; I132-H160 HydrophobicContact CD1-CB 3.71Å; I132-H160 VanDerWaalsContact CD1-CG 3.42Å; I132-A163 HydrophobicContact CB-CB 3.95Å; I132-A163 HydrophobicContact CG2-CB 3.93Å; I132-I166 HydrophobicContact CG2-CD1 4.22Å; I132-I166 HydrophobicContact CG2-CG1 4.07Å; I132-A168 HydrophobicContact CD1-CB 3.57Å; I132-A168 HydrophobicContact CG1-CB 3.92Å; I132-A168 HydrophobicContact CG2-CB 4.11Å |
| 133 | H | 98.3 | Very high | 97.3 | Very high | 80 Ų | 80 | 42 Ų | 42 | 37% | 0.37 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 177.2 | -176.6 | 58.4 | 0 | 0 | 0 | 111.9 | A129 A135 Y136 E137 A163 | A129-H133 WeakPolarHBondContact O-CB 3.47Å; A129-H133 PolarHBondContact O-N 3Å; H133-A135 VanDerWaalsContact C-N 3.32Å; H133-A135 PolarHBondContact O-N 3.24Å; H133-Y136 WeakPolarHBondContact O-CB 3.33Å; H133-Y136 PolarHBondContact O-N 2.93Å; H133-E137 IonicContact CE1-OE1 2.81Å; H133-E137 WeakPolarHBondContact O-CB 3.47Å; H133-E137 WeakPolarHBondContact O-CG 3.48Å; H133-E137 PolarHBondContact O-N 3.45Å; H133-A163 WeakPolarHBondContact CA-O 3.32Å; H133-A163 HydrophobicContact CB-CB 4.45Å; H133-A163 PolarHBondContact N-O 3.31Å |
| 134 | L | 97.8 | Very high | 97.5 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 7% | 0.068 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.8 | -39 | 174.3 | 176 | 64.4 | 0 | 0 | 0 | 112.4 | A95 P98 D130 I132 E137 R138 | A95-L134 HydrophobicContact CB-CD2 3.81Å; A95-L134 WeakPolarHBondContact O-CD2 3.39Å; P98-L134 WeakPolarHBondContact O-CD1 3.38Å; D130-L134 VanDerWaalsContact O-CB 3.26Å; D130-L134 WeakPolarHBondContact O-CB 3.38Å; D130-L134 PolarHBondContact O-N 3.23Å; I132-L134 PolarHBondContact O-N 3Å; L134-E137 PolarHBondContact O-N 2.82Å; L134-R138 HydrophobicContact CD1-CG 4.33Å; L134-R138 VanDerWaalsContact O-CG 3.26Å; L134-R138 WeakPolarHBondContact O-CG 3.24Å; L134-R138 PolarHBondContact O-N 2.91Å; L134-R138 VanDerWaalsContact O-N 3.15Å |
| 135 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A118 I120 K131 I132 H133 R138 G139 A140 A143 I166 | A118-A135 HydrophobicContact CB-CB 3.54Å; I120-A135 HydrophobicContact CD1-CB 4.34Å; K131-A135 PolarHBondContact O-N 3.01Å; K131-A135 VanDerWaalsContact O-N 3.13Å; I132-A135 WeakPolarHBondContact O-CB 3.4Å; I132-A135 PolarHBondContact O-N 3.41Å; I132-A135 VanDerWaalsContact O-N 3.14Å; H133-A135 VanDerWaalsContact C-N 3.32Å; H133-A135 PolarHBondContact O-N 3.24Å; A135-R138 PolarHBondContact O-N 3.08Å; A135-G139 PolarHBondContact O-N 3.5Å; A135-A140 HydrophobicContact CB-CB 4.06Å; A135-A140 VanDerWaalsContact O-CB 3.25Å; A135-A140 WeakPolarHBondContact O-CB 3.11Å; A135-A140 PolarHBondContact O-N 2.95Å; A135-A143 HydrophobicContact CB-CB 4.12Å; A135-I166 HydrophobicContact CB-CD1 4.08Å |
| 136 | Y | 97.8 | Very high | 97.9 | Very high | 103 Ų | 103 | 34 Ų | 34 | 40% | 0.404 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.7 | -50.5 | 174.2 | 172.2 | -101.7 | 0 | 0 | 0 | 111.9 | I132 H133 R138 G139 I166 | I132-Y136 PolarHBondContact O-N 3.02Å; H133-Y136 WeakPolarHBondContact O-CB 3.33Å; H133-Y136 PolarHBondContact O-N 2.93Å; Y136-R138 PolarHBondContact O-N 3.01Å; Y136-R138 VanDerWaalsContact O-N 3.14Å; Y136-G139 PolarHBondContact O-N 3.15Å; Y136-I166 HydrophobicContact CD2-CG2 3.74Å |
| 137 | E | 97 | Very high | 98 | Very high | 108 Ų | 108 | 32.8 Ų | 32.8 | 51% | 0.505 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.3 | -21.2 | 178.3 | -75.2 | -67.5 | 135.9 | 0 | 0 | 113.6 | H133 L134 | H133-E137 IonicContact CE1-OE1 2.81Å; H133-E137 WeakPolarHBondContact O-CB 3.47Å; H133-E137 WeakPolarHBondContact O-CG 3.48Å; H133-E137 PolarHBondContact O-N 3.45Å; L134-E137 PolarHBondContact O-N 2.82Å |
| 138 | R | 96.5 | Very high | 97.9 | Very high | 75 Ų | 75 | 33.1 Ų | 33.1 | 28% | 0.283 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -1 | 174.7 | -65 | -64.9 | -179 | -85.7 | -5.3 | 113.3 | P98 T100 F102 W116 L134 A135 Y136 | P98-R138 PolarHBondContact O-NH2 3.41Å; T100-R138 PolarHBondContact O-NE 3.24Å; T100-R138 PolarHBondContact O-NH2 2.97Å; F102-R138 HydrophobicContact CD2-CB 4.16Å; F102-R138 HydrophobicContact CD2-CG 3.97Å; F102-R138 HydrophobicContact CE2-CB 4.47Å; F102-R138 HydrophobicContact CE2-CG 4.09Å; W116-R138 HydrophobicContact CH2-CB 4.07Å; W116-R138 HydrophobicContact CZ2-CB 3.99Å; W116-R138 WeakPolarHBondContact CZ2-O 3.31Å; L134-R138 HydrophobicContact CD1-CG 4.33Å; L134-R138 VanDerWaalsContact O-CG 3.26Å; L134-R138 WeakPolarHBondContact O-CG 3.24Å; L134-R138 PolarHBondContact O-N 2.91Å; L134-R138 VanDerWaalsContact O-N 3.15Å; A135-R138 PolarHBondContact O-N 3.08Å; Y136-R138 PolarHBondContact O-N 3.01Å; Y136-R138 VanDerWaalsContact O-N 3.14Å |
| 139 | G | 96.5 | Very high | 97.8 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 46% | 0.464 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 20.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | W116 A135 Y136 | W116-G139 PolarHBondContact NE1-O 2.92Å; W116-G139 VanDerWaalsContact NE1-O 3.08Å; A135-G139 PolarHBondContact O-N 3.5Å; Y136-G139 PolarHBondContact O-N 3.15Å |
| 140 | A | 98 | Very high | 97.6 | Very high | 5 Ų | 5 | 38 Ų | 38 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | trans | -67.9 | 143.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | W116 A118 A135 G142 I166 | W116-A140 HydrophobicContact CD2-CB 4.04Å; W116-A140 VanDerWaalsContact CE2-CA 3.47Å; W116-A140 HydrophobicContact CE3-CB 4.08Å; W116-A140 HydrophobicContact CH2-CB 3.75Å; W116-A140 HydrophobicContact CZ2-CB 3.67Å; W116-A140 HydrophobicContact CZ3-CB 3.96Å; A118-A140 HydrophobicContact CB-CB 4.23Å; A135-A140 HydrophobicContact CB-CB 4.06Å; A135-A140 VanDerWaalsContact O-CB 3.25Å; A135-A140 WeakPolarHBondContact O-CB 3.11Å; A135-A140 PolarHBondContact O-N 2.95Å; A140-G142 VanDerWaalsContact C-N 3.28Å; A140-I166 WeakPolarHBondContact O-CG2 3.27Å | ||
| 141 | S | 98 | Very high | 97.4 | Very high | 44 Ų | 44 | 34.8 Ų | 34.8 | 31% | 0.308 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -78.4 | -17.9 | 173.5 | -52.1 | 0 | 0 | 0 | 0 | 112.3 | S115 W116 | S115-S141 PolarHBondContact OG-OG 3.41Å; W116-S141 PolarHBondContact O-N 3.29Å |
| 142 | G | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | 162.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L117 A118 A140 V167 | L117-G142 CarbonylContact C-O 3.56Å; L117-G142 WeakPolarHBondContact CA-O 3.28Å; A118-G142 PolarHBondContact N-O 3.41Å; A140-G142 VanDerWaalsContact C-N 3.28Å; G142-V167 CarbonylContact C-O 3.5Å; G142-V167 WeakPolarHBondContact CA-O 3.44Å |
| 143 | A | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I132 A135 I145 I166 V167 A168 I169 | I132-A143 HydrophobicContact CB-CB 4.43Å; I132-A143 HydrophobicContact CG1-CB 4.03Å; I132-A143 HydrophobicContact CG2-CB 4.37Å; A135-A143 HydrophobicContact CB-CB 4.12Å; A143-I145 HydrophobicContact CB-CD1 4.49Å; A143-I166 HydrophobicContact CB-CD1 4.23Å; A143-V167 PolarHBondContact N-O 2.98Å; A143-A168 WeakPolarHBondContact O-CA 3.34Å; A143-I169 PolarHBondContact O-N 3.27Å |
| 144 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 102.1 | 176.6 | -177 | 0 | 0 | 0 | 0 | 108.5 | L84 L117 A118 L119 I120 I169 I171 M191 I193 | L84-V144 HydrophobicContact CD2-CB 4.23Å; L84-V144 HydrophobicContact CD2-CG2 3.92Å; L117-V144 HydrophobicContact CB-CG2 4.3Å; L117-V144 HydrophobicContact CD1-CG2 4.43Å; A118-V144 PolarHBondContact O-N 3.38Å; L119-V144 HydrophobicContact CD1-CB 4.31Å; L119-V144 HydrophobicContact CD1-CG1 4.03Å; I120-V144 PolarHBondContact N-O 3.08Å; V144-I169 HydrophobicContact CB-CG1 4.38Å; V144-I169 HydrophobicContact CG1-CD1 4.25Å; V144-I169 HydrophobicContact CG1-CG1 4.22Å; V144-I169 HydrophobicContact CG2-CD1 4.18Å; V144-I169 HydrophobicContact CG2-CG1 4.02Å; V144-I171 HydrophobicContact CG1-CD1 3.76Å; V144-I171 HydrophobicContact CG1-CG1 4.03Å; V144-I171 HydrophobicContact CG1-CG2 4.21Å; V144-M191 HydrophobicContact CG1-CE 4.48Å; V144-M191 HydrophobicContact CG1-SD 4.38Å; V144-M191 HydrophobicContact CG2-SD 3.91Å; V144-I193 HydrophobicContact CG2-CD1 3.96Å |
| 145 | I | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 119.7 | 179 | -50 | -54.3 | 0 | 0 | 0 | 108.9 | I120 R122 F128 K131 I132 A143 M158 I169 M170 I171 | I120-I145 HydrophobicContact CB-CD1 3.85Å; I120-I145 HydrophobicContact CD1-CD1 4.48Å; I120-I145 HydrophobicContact CG2-CD1 4.36Å; I120-I145 CarbonylContact O-C 3.53Å; I120-I145 VanDerWaalsContact O-CA 3.26Å; I120-I145 WeakPolarHBondContact O-CA 3.49Å; R122-I145 HydrophobicContact CB-CG2 4.1Å; F128-I145 HydrophobicContact CD1-CG2 4.19Å; F128-I145 HydrophobicContact CE1-CG2 4.13Å; K131-I145 HydrophobicContact CB-CD1 4.08Å; K131-I145 HydrophobicContact CD-CD1 4.4Å; I132-I145 HydrophobicContact CG1-CD1 4.49Å; A143-I145 HydrophobicContact CB-CD1 4.49Å; I145-M158 HydrophobicContact CB-SD 3.79Å; I145-M158 HydrophobicContact CG1-CE 4.2Å; I145-M158 HydrophobicContact CG1-SD 3.71Å; I145-M158 HydrophobicContact CG2-SD 4.23Å; I145-I169 PolarHBondContact N-O 2.99Å; I145-M170 HydrophobicContact CG2-CE 4.32Å; I145-M170 CarbonylContact O-C 3.53Å; I145-M170 WeakPolarHBondContact O-CA 3.36Å; I145-M170 WeakPolarHBondContact O-CG 3.31Å; I145-I171 PolarHBondContact O-N 3.13Å |
| 146 | F | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 142 | 172.8 | 69.9 | -82.7 | 0 | 0 | 0 | 111.7 | L119 I120 Q121 R122 I171 L180 | L119-F146 HydrophobicContact CD1-CD1 3.73Å; L119-F146 HydrophobicContact CD1-CE1 4.27Å; L119-F146 HydrophobicContact CG-CD1 4.04Å; L119-F146 HydrophobicContact CG-CE1 4.07Å; I120-F146 VanDerWaalsContact O-CD1 3.25Å; I120-F146 WeakPolarHBondContact O-CD1 3.45Å; I120-F146 PolarHBondContact O-N 3.12Å; Q121-F146 HydrophobicContact CB-CD1 4.46Å; Q121-F146 HydrophobicContact CB-CE1 3.76Å; Q121-F146 HydrophobicContact CB-CE2 3.89Å; Q121-F146 HydrophobicContact CB-CZ 3.43Å; Q121-F146 VanDerWaalsContact CB-CZ 3.43Å; Q121-F146 HydrophobicContact CG-CD2 4.16Å; Q121-F146 HydrophobicContact CG-CE1 4.35Å; Q121-F146 HydrophobicContact CG-CE2 3.56Å; Q121-F146 HydrophobicContact CG-CZ 3.66Å; R122-F146 WeakPolarHBondContact CB-O 3.38Å; R122-F146 PolarHBondContact N-O 3.24Å; F146-I171 WeakPolarHBondContact CA-O 3.46Å; F146-I171 HydrophobicContact CB-CD1 4.08Å; F146-I171 HydrophobicContact CB-CG1 3.58Å; F146-L180 HydrophobicContact CZ-CD2 4.03Å |
| 147 | N | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 160.1 | -173.9 | -154.4 | 0.6 | 0 | 0 | 0 | 112.1 | R122 T151 E154 I171 N173 | R122-N147 VanDerWaalsContact CD-OD1 3.3Å; R122-N147 WeakPolarHBondContact CD-OD1 3.42Å; R122-N147 PolarHBondContact NH1-OD1 3.22Å; N147-T151 WeakPolarHBondContact CB-OG1 3.29Å; N147-T151 VanDerWaalsContact ND2-CB 3.3Å; N147-T151 WeakPolarHBondContact ND2-CB 3.44Å; N147-T151 PolarHBondContact ND2-OG1 3.49Å; N147-E154 PolarHBondContact ND2-O 2.92Å; N147-I171 PolarHBondContact N-O 3.49Å; N147-N173 HydrophobicContact CB-CB 4.32Å; N147-N173 VanDerWaalsContact O-CB 3.3Å; N147-N173 WeakPolarHBondContact O-CB 3.05Å; N147-N173 PolarHBondContact O-ND2 3.27Å |
| 148 | F | 95.3 | Very high | 96.2 | Very high | 85 Ų | 85 | 48.4 Ų | 48.4 | 37% | 0.373 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 161.5 | -176.3 | 57.4 | -101.9 | 0 | 0 | 0 | 112.5 | R122 G150 T151 N173 | R122-F148 HydrophobicContact CB-CD1 4.49Å; R122-F148 HydrophobicContact CG-CD1 4.13Å; F148-G150 PolarHBondContact O-N 2.86Å; F148-T151 HydrophobicContact CD2-CG2 3.73Å; F148-T151 HydrophobicContact CE1-CG2 4.33Å; F148-T151 HydrophobicContact CE2-CG2 3.34Å; F148-T151 HydrophobicContact CG-CG2 4.36Å; F148-T151 HydrophobicContact CZ-CG2 3.67Å; F148-T151 PolarHBondContact O-OG1 3.45Å; F148-N173 VanDerWaalsContact C-ND2 3.34Å; F148-N173 WeakPolarHBondContact O-CB 3.26Å; F148-N173 PolarHBondContact O-ND2 3.33Å |
| 149 | P | 96.1 | Very high | 96.1 | Very high | 87 Ų | 87 | 47.2 Ų | 47.2 | 57% | 0.565 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 138.4 | -178.3 | -27.8 | 36.3 | 0 | 0 | 0 | 113.7 | ||
| 150 | G | 94.6 | Very high | 96.1 | Very high | 72 Ų | 72 | 45.2 Ų | 45.2 | 74% | 0.742 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.9 | -18.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | F148 R152 | F148-G150 PolarHBondContact O-N 2.86Å; G150-R152 VanDerWaalsContact C-N 3.35Å; G150-R152 PolarHBondContact O-N 2.93Å |
| 151 | T | 94.4 | Very high | 95.9 | Very high | 12 Ų | 12 | 49.1 Ų | 49.1 | 7% | 0.074 | 28% | 0.279 | C | S | . | . | trans | -86.3 | -2 | -178.7 | 65.8 | 0 | 0 | 0 | 0 | 114.4 | N147 F148 N153 E154 | N147-T151 WeakPolarHBondContact CB-OG1 3.29Å; N147-T151 VanDerWaalsContact ND2-CB 3.3Å; N147-T151 WeakPolarHBondContact ND2-CB 3.44Å; N147-T151 PolarHBondContact ND2-OG1 3.49Å; F148-T151 HydrophobicContact CD2-CG2 3.73Å; F148-T151 HydrophobicContact CE1-CG2 4.33Å; F148-T151 HydrophobicContact CE2-CG2 3.34Å; F148-T151 HydrophobicContact CG-CG2 4.36Å; F148-T151 HydrophobicContact CZ-CG2 3.67Å; F148-T151 PolarHBondContact O-OG1 3.45Å; T151-N153 PolarHBondContact O-N 2.94Å; T151-N153 VanDerWaalsContact O-N 3.11Å; T151-E154 VanDerWaalsContact O-CB 3.22Å; T151-E154 WeakPolarHBondContact O-CB 3.48Å; T151-E154 VanDerWaalsContact O-CG 3.23Å; T151-E154 WeakPolarHBondContact O-CG 3.4Å; T151-E154 PolarHBondContact O-N 3.38Å | ||
| 152 | R | 96.2 | Very high | 95.5 | Very high | 186 Ų | 186 | 51 Ų | 51 | 70% | 0.702 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | -112.2 | 178.2 | -57.6 | 178.6 | 178.2 | 177.6 | -0.7 | 112.9 | G150 G172 N173 L174 | G150-R152 VanDerWaalsContact C-N 3.35Å; G150-R152 PolarHBondContact O-N 2.93Å; R152-G172 CarbonylContact O-C 3.54Å; R152-N173 PolarHBondContact O-N 2.9Å; R152-L174 HydrophobicContact CB-CD1 4.11Å; R152-L174 HydrophobicContact CB-CG 4.45Å; R152-L174 PolarHBondContact O-N 3.34Å |
| 153 | N | 95.6 | Very high | 95 | Very high | 108 Ų | 108 | 51.1 Ų | 51.1 | 58% | 0.578 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 4.3 | 179.6 | -67.8 | -20.2 | 0 | 0 | 0 | 112.7 | T151 V155 | T151-N153 PolarHBondContact O-N 2.94Å; T151-N153 VanDerWaalsContact O-N 3.11Å; N153-V155 PolarHBondContact O-N 3.43Å |
| 154 | E | 94.3 | Very high | 94.3 | Very high | 129 Ų | 129 | 52.1 Ų | 52.1 | 60% | 0.603 | 32% | 0.317 | S | S | * | . | trans | -65.1 | 134.8 | -179.7 | -65.9 | 172.2 | -173.8 | 0 | 0 | 110.8 | N147 T151 | N147-E154 PolarHBondContact ND2-O 2.92Å; T151-E154 VanDerWaalsContact O-CB 3.22Å; T151-E154 WeakPolarHBondContact O-CB 3.48Å; T151-E154 VanDerWaalsContact O-CG 3.23Å; T151-E154 WeakPolarHBondContact O-CG 3.4Å; T151-E154 PolarHBondContact O-N 3.38Å | ||
| 155 | V | 94.4 | Very high | 94 | Very high | 49 Ų | 49 | 58.8 Ų | 58.8 | 30% | 0.297 | 35% | 0.353 | S | S | . | . | trans | -127.6 | 144.9 | 174.6 | -73.1 | 0 | 0 | 0 | 0 | 108.6 | V70 N153 M170 G172 | V70-V155 HydrophobicContact CG1-CG2 4.12Å; V70-V155 HydrophobicContact CG2-CB 4.25Å; N153-V155 PolarHBondContact O-N 3.43Å; V155-M170 HydrophobicContact CB-CG 4.41Å; V155-M170 HydrophobicContact CG1-CG 4.19Å; V155-G172 VanDerWaalsContact CG1-N 3.34Å | ||
| 156 | I | 92.6 | Very high | 93.9 | Very high | 57 Ų | 57 | 59.4 Ų | 59.4 | 29% | 0.292 | 36% | 0.356 | S | S | . | . | trans | -125.6 | 150.6 | 178.8 | 62.8 | 157.1 | 0 | 0 | 0 | 109.6 | V70 R122 F128 M158 M170 | V70-I156 WeakPolarHBondContact CG2-O 3.43Å; R122-I156 VanDerWaalsContact NH1-CD1 3.33Å; F128-I156 HydrophobicContact CE2-CD1 4.43Å; F128-I156 HydrophobicContact CZ-CD1 4.14Å; I156-M158 PolarHBondContact O-N 2.91Å; I156-M170 HydrophobicContact CB-SD 4.41Å; I156-M170 HydrophobicContact CG1-CE 3.79Å; I156-M170 HydrophobicContact CG1-SD 3.54Å; I156-M170 VanDerWaalsContact CG1-SD 3.54Å; I156-M170 PolarHBondContact N-SD 3.44Å; I156-M170 VanDerWaalsContact N-SD 3.36Å | ||
| 157 | P | 92.5 | Very high | 93.9 | Very high | 61 Ų | 61 | 59.4 Ų | 59.4 | 40% | 0.396 | 36% | 0.356 | S | S | . | . | trans | -61.1 | 138.9 | 171.7 | 25.9 | -33.6 | 0 | 0 | 0 | 110.3 | V42 Q73 | V42-P157 HydrophobicContact CG2-CB 4.08Å; V42-P157 HydrophobicContact CG2-CG 4.48Å; Q73-P157 HydrophobicContact CG-CB 4.31Å | ||
| 158 | M | 94.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | trans | -104.3 | 125.8 | 175.6 | -59.6 | -174.8 | -61.9 | 0 | 0 | 109.1 | G72 Q73 F128 I145 I156 A168 M170 | G72-M158 CarbonylContact C-O 3.57Å; G72-M158 WeakPolarHBondContact CA-O 3.16Å; Q73-M158 PolarHBondContact N-O 3.41Å; F128-M158 HydrophobicContact CB-CB 4.35Å; F128-M158 HydrophobicContact CB-SD 4.47Å; F128-M158 HydrophobicContact CD1-CB 4.42Å; F128-M158 HydrophobicContact CD1-CG 3.86Å; F128-M158 HydrophobicContact CD1-SD 3.54Å; F128-M158 VanDerWaalsContact CD1-SD 3.54Å; F128-M158 HydrophobicContact CD2-CB 3.87Å; F128-M158 HydrophobicContact CD2-CG 3.97Å; F128-M158 HydrophobicContact CE1-CG 3.9Å; F128-M158 HydrophobicContact CE1-SD 3.86Å; F128-M158 HydrophobicContact CE2-CB 4.26Å; F128-M158 HydrophobicContact CE2-CG 4Å; F128-M158 HydrophobicContact CG-CB 3.96Å; F128-M158 HydrophobicContact CG-CG 3.91Å; F128-M158 HydrophobicContact CG-SD 3.99Å; F128-M158 HydrophobicContact CZ-CG 3.98Å; I145-M158 HydrophobicContact CB-SD 3.79Å; I145-M158 HydrophobicContact CG1-CE 4.2Å; I145-M158 HydrophobicContact CG1-SD 3.71Å; I145-M158 HydrophobicContact CG2-SD 4.23Å; I156-M158 PolarHBondContact O-N 2.91Å; M158-A168 HydrophobicContact CE-CB 4.32Å; M158-M170 HydrophobicContact CE-CB 4.05Å; M158-M170 HydrophobicContact CG-CB 4.14Å; M158-M170 HydrophobicContact CG-CE 3.59Å; M158-M170 HydrophobicContact SD-CB 3.87Å; M158-M170 HydrophobicContact SD-CE 3.73Å | ||
| 159 | S | 94.6 | Very high | 94.1 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | trans | -98.8 | 132.1 | 162.7 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | D74 | D74-S159 WeakPolarHBondContact OD2-CA 3.32Å; D74-S159 PolarHBondContact OD2-OG 3.45Å; D74-S159 VanDerWaalsContact OD2-OG 3.12Å | ||
| 160 | H | 95.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.019 | 31% | 0.311 | C | S | . | . | trans | -152.7 | 55.4 | -174.9 | 59 | 84.3 | 0 | 0 | 0 | 111.9 | G72 D74 S75 F128 A129 I132 G162 A163 | G72-H160 WeakPolarHBondContact CA-NE2 3.31Å; D74-H160 PolarHBondContact OD2-N 3.48Å; S75-H160 PolarHBondContact N-CE1 3.39Å; S75-H160 VanDerWaalsContact N-CE1 3.35Å; F128-H160 HydrophobicContact CB-CB 4.26Å; A129-H160 HydrophobicContact CB-CB 4.09Å; I132-H160 HydrophobicContact CD1-CB 3.71Å; I132-H160 VanDerWaalsContact CD1-CG 3.42Å; H160-G162 PolarHBondContact O-N 2.83Å; H160-A163 HydrophobicContact CB-CB 4.02Å; H160-A163 WeakPolarHBondContact O-CB 3.28Å; H160-A163 PolarHBondContact O-N 2.91Å | ||
| 161 | P | 93.9 | Very high | 94.4 | Very high | 87 Ų | 87 | 47.8 Ų | 47.8 | 57% | 0.565 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 133.4 | -180 | 27.7 | -35.4 | 0 | 0 | 0 | 110.4 | ||
| 162 | G | 89.5 | Confident | 94.6 | Very high | 82 Ų | 82 | 47.4 Ų | 47.4 | 85% | 0.845 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 14.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | H160 G164 | H160-G162 PolarHBondContact O-N 2.83Å; G162-G164 VanDerWaalsContact C-N 3.29Å; G162-G164 PolarHBondContact O-N 3.32Å |
| 163 | A | 88.1 | Confident | 94.7 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -85.7 | 14 | -177 | 0 | 0 | 0 | 0 | 0 | 115.5 | A129 I132 H133 H160 | A129-A163 HydrophobicContact CB-CB 3.92Å; I132-A163 HydrophobicContact CB-CB 3.95Å; I132-A163 HydrophobicContact CG2-CB 3.93Å; H133-A163 WeakPolarHBondContact CA-O 3.32Å; H133-A163 HydrophobicContact CB-CB 4.45Å; H133-A163 PolarHBondContact N-O 3.31Å; H160-A163 HydrophobicContact CB-CB 4.02Å; H160-A163 WeakPolarHBondContact O-CB 3.28Å; H160-A163 PolarHBondContact O-N 2.91Å |
| 164 | G | 84.8 | Confident | 94.7 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | trans | 93.8 | 163.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | G162 I166 | G162-G164 VanDerWaalsContact C-N 3.29Å; G162-G164 PolarHBondContact O-N 3.32Å; G164-I166 PolarHBondContact O-N 3.29Å | ||
| 165 | D | 91.1 | Very high | 94.9 | Very high | 140 Ų | 140 | 32.9 Ų | 32.9 | 75% | 0.749 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -94.6 | 56.3 | -173.3 | -65.3 | -26.2 | 0 | 0 | 0 | 111.6 | ||
| 166 | I | 97.9 | Very high | 95.1 | Very high | 12 Ų | 12 | 30.5 Ų | 30.5 | 6% | 0.062 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -123.3 | 150.8 | 173.1 | 56.4 | 164.2 | 0 | 0 | 0 | 111.1 | P76 I132 A135 Y136 A140 A143 G164 A168 | P76-I166 WeakPolarHBondContact CD-O 3.45Å; I132-I166 HydrophobicContact CG2-CD1 4.22Å; I132-I166 HydrophobicContact CG2-CG1 4.07Å; A135-I166 HydrophobicContact CB-CD1 4.08Å; Y136-I166 HydrophobicContact CD2-CG2 3.74Å; A140-I166 WeakPolarHBondContact O-CG2 3.27Å; A143-I166 HydrophobicContact CB-CD1 4.23Å; G164-I166 PolarHBondContact O-N 3.29Å; I166-A168 PolarHBondContact O-N 2.89Å |
| 167 | V | 98.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 125.6 | 176.7 | 172.2 | 0 | 0 | 0 | 0 | 109.9 | Y71 P76 E78 V80 G142 A143 I169 | Y71-V167 HydrophobicContact CD1-CG1 4.14Å; Y71-V167 HydrophobicContact CE1-CG1 3.58Å; P76-V167 HydrophobicContact CB-CG2 4.43Å; E78-V167 HydrophobicContact CG-CG2 3.78Å; E78-V167 WeakPolarHBondContact O-CG2 3.46Å; V80-V167 HydrophobicContact CB-CB 4.23Å; V80-V167 HydrophobicContact CB-CG2 4.12Å; V80-V167 HydrophobicContact CG1-CB 3.71Å; V80-V167 HydrophobicContact CG1-CG1 3.75Å; V80-V167 HydrophobicContact CG1-CG2 4.09Å; G142-V167 CarbonylContact C-O 3.5Å; G142-V167 WeakPolarHBondContact CA-O 3.44Å; A143-V167 PolarHBondContact N-O 2.98Å; V167-I169 HydrophobicContact CG1-CG2 4.25Å |
| 168 | A | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | G72 S75 I132 A143 M158 I166 | G72-A168 PolarHBondContact N-O 2.96Å; S75-A168 PolarHBondContact OG-N 2.92Å; S75-A168 PolarHBondContact OG-O 3.16Å; I132-A168 HydrophobicContact CD1-CB 3.57Å; I132-A168 HydrophobicContact CG1-CB 3.92Å; I132-A168 HydrophobicContact CG2-CB 4.11Å; A143-A168 WeakPolarHBondContact O-CA 3.34Å; M158-A168 HydrophobicContact CE-CB 4.32Å; I166-A168 PolarHBondContact O-N 2.89Å |
| 169 | I | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 152.1 | 177.3 | 65.1 | 162.5 | 0 | 0 | 0 | 111.8 | A45 L47 V70 Y71 A143 V144 I145 V167 I171 M191 I193 | A45-I169 HydrophobicContact CB-CG2 4.29Å; L47-I169 HydrophobicContact CD1-CD1 4.43Å; L47-I169 HydrophobicContact CD2-CD1 3.51Å; V70-I169 CarbonylContact O-C 3.41Å; V70-I169 VanDerWaalsContact O-CA 3.27Å; V70-I169 WeakPolarHBondContact O-CA 3.28Å; Y71-I169 HydrophobicContact CD1-CG2 4.04Å; Y71-I169 HydrophobicContact CD2-CG2 4.19Å; Y71-I169 HydrophobicContact CE1-CG2 4.2Å; Y71-I169 HydrophobicContact CE2-CG2 4.31Å; Y71-I169 HydrophobicContact CG-CG2 4.04Å; A143-I169 PolarHBondContact O-N 3.27Å; V144-I169 HydrophobicContact CB-CG1 4.38Å; V144-I169 HydrophobicContact CG1-CD1 4.25Å; V144-I169 HydrophobicContact CG1-CG1 4.22Å; V144-I169 HydrophobicContact CG2-CD1 4.18Å; V144-I169 HydrophobicContact CG2-CG1 4.02Å; I145-I169 PolarHBondContact N-O 2.99Å; V167-I169 HydrophobicContact CG1-CG2 4.25Å; I169-I171 HydrophobicContact CD1-CG2 4.02Å; I169-M191 HydrophobicContact CD1-SD 4.31Å; I169-I193 HydrophobicContact CD1-CD1 3.53Å; I169-I193 HydrophobicContact CD1-CG1 3.99Å; I169-I193 HydrophobicContact CD1-CG2 4.11Å; I169-I193 HydrophobicContact CG1-CD1 3.92Å; I169-I193 HydrophobicContact CG2-CG2 3.9Å |
| 170 | M | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 134.8 | 167.2 | -175.8 | 173.9 | -73 | 0 | 0 | 111.2 | G69 V70 F128 I145 V155 I156 M158 | G69-M170 CarbonylContact C-O 3.47Å; G69-M170 WeakPolarHBondContact CA-O 3.42Å; V70-M170 HydrophobicContact CG2-CB 4.09Å; V70-M170 PolarHBondContact N-O 3.44Å; V70-M170 PolarHBondContact O-N 2.86Å; F128-M170 HydrophobicContact CD1-CE 4.3Å; F128-M170 HydrophobicContact CE1-CE 3.28Å; F128-M170 HydrophobicContact CZ-CE 3.43Å; F128-M170 VanDerWaalsContact CZ-CE 3.43Å; I145-M170 HydrophobicContact CG2-CE 4.32Å; I145-M170 CarbonylContact O-C 3.53Å; I145-M170 WeakPolarHBondContact O-CA 3.36Å; I145-M170 WeakPolarHBondContact O-CG 3.31Å; V155-M170 HydrophobicContact CB-CG 4.41Å; V155-M170 HydrophobicContact CG1-CG 4.19Å; I156-M170 HydrophobicContact CB-SD 4.41Å; I156-M170 HydrophobicContact CG1-CE 3.79Å; I156-M170 HydrophobicContact CG1-SD 3.54Å; I156-M170 VanDerWaalsContact CG1-SD 3.54Å; I156-M170 PolarHBondContact N-SD 3.44Å; I156-M170 VanDerWaalsContact N-SD 3.36Å; M158-M170 HydrophobicContact CE-CB 4.05Å; M158-M170 HydrophobicContact CG-CB 4.14Å; M158-M170 HydrophobicContact CG-CE 3.59Å; M158-M170 HydrophobicContact SD-CB 3.87Å; M158-M170 HydrophobicContact SD-CE 3.73Å |
| 171 | I | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 161 | 170.4 | 66.5 | 173.2 | 0 | 0 | 0 | 111.9 | L47 V144 I145 F146 N147 I169 K175 I179 | L47-I171 HydrophobicContact CD1-CG2 3.6Å; V144-I171 HydrophobicContact CG1-CD1 3.76Å; V144-I171 HydrophobicContact CG1-CG1 4.03Å; V144-I171 HydrophobicContact CG1-CG2 4.21Å; I145-I171 PolarHBondContact O-N 3.13Å; F146-I171 WeakPolarHBondContact CA-O 3.46Å; F146-I171 HydrophobicContact CB-CD1 4.08Å; F146-I171 HydrophobicContact CB-CG1 3.58Å; N147-I171 PolarHBondContact N-O 3.49Å; I169-I171 HydrophobicContact CD1-CG2 4.02Å; I171-K175 HydrophobicContact CD1-CB 4.42Å; I171-K175 HydrophobicContact CD1-CG 4.27Å; I171-I179 HydrophobicContact CD1-CD1 4.22Å |
| 172 | G | 98.1 | Very high | 96 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | trans | -63.4 | 154.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R152 V155 L174 K175 G176 | R152-G172 CarbonylContact O-C 3.54Å; V155-G172 VanDerWaalsContact CG1-N 3.34Å; G172-L174 VanDerWaalsContact C-N 3.34Å; G172-L174 PolarHBondContact O-N 3.34Å; G172-K175 PolarHBondContact O-N 2.86Å; G172-G176 PolarHBondContact O-N 3.48Å; G172-G176 VanDerWaalsContact O-N 3.07Å | ||
| 173 | N | 98.2 | Very high | 96.3 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 8% | 0.075 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.7 | -40.7 | 179.8 | 175.6 | -107.8 | 0 | 0 | 0 | 112.7 | N147 F148 R152 G176 T177 | N147-N173 HydrophobicContact CB-CB 4.32Å; N147-N173 VanDerWaalsContact O-CB 3.3Å; N147-N173 WeakPolarHBondContact O-CB 3.05Å; N147-N173 PolarHBondContact O-ND2 3.27Å; F148-N173 VanDerWaalsContact C-ND2 3.34Å; F148-N173 WeakPolarHBondContact O-CB 3.26Å; F148-N173 PolarHBondContact O-ND2 3.33Å; R152-N173 PolarHBondContact O-N 2.9Å; N173-G176 PolarHBondContact O-N 3.47Å; N173-T177 VanDerWaalsContact O-CB 3.3Å; N173-T177 WeakPolarHBondContact O-CB 3.35Å; N173-T177 PolarHBondContact O-N 2.82Å; N173-T177 PolarHBondContact O-OG1 2.92Å |
| 174 | L | 97.6 | Very high | 96.6 | Very high | 94 Ų | 94 | 34.7 Ų | 34.7 | 49% | 0.492 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.3 | -45.9 | -179.4 | -66.5 | 177.9 | 0 | 0 | 0 | 111.9 | R152 G172 K178 | R152-L174 HydrophobicContact CB-CD1 4.11Å; R152-L174 HydrophobicContact CB-CG 4.45Å; R152-L174 PolarHBondContact O-N 3.34Å; G172-L174 VanDerWaalsContact C-N 3.34Å; G172-L174 PolarHBondContact O-N 3.34Å; L174-K178 WeakPolarHBondContact O-CB 3.07Å; L174-K178 PolarHBondContact O-N 3.5Å |
| 175 | K | 97.5 | Very high | 97 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 4% | 0.043 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.7 | -48 | 178.3 | -170.9 | 70.9 | 172.5 | -120.1 | 0 | 111.1 | E64 E68 I171 G172 T177 K178 I179 | E64-K175 IonicContact OE1-NZ 3.65Å; E64-K175 PolarHBondContact OE1-NZ 3.42Å; E64-K175 IonicContact OE2-NZ 3.56Å; E64-K175 PolarHBondContact OE2-NZ 2.95Å; E68-K175 VanDerWaalsContact OE1-CD 3.27Å; E68-K175 WeakPolarHBondContact OE1-CD 3.46Å; E68-K175 WeakPolarHBondContact OE1-CE 3.28Å; E68-K175 WeakPolarHBondContact OE1-CG 3.38Å; E68-K175 IonicContact OE1-NZ 2.76Å; E68-K175 PolarHBondContact OE1-NZ 2.92Å; I171-K175 HydrophobicContact CD1-CB 4.42Å; I171-K175 HydrophobicContact CD1-CG 4.27Å; G172-K175 PolarHBondContact O-N 2.86Å; K175-T177 VanDerWaalsContact C-N 3.34Å; K175-T177 PolarHBondContact O-N 3.4Å; K175-K178 PolarHBondContact O-N 3.5Å; K175-I179 HydrophobicContact CG-CD1 4.06Å; K175-I179 WeakPolarHBondContact O-CG1 3.33Å; K175-I179 PolarHBondContact O-N 3.44Å |
| 176 | G | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.2 | -43.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G172 N173 I179 L180 | G172-G176 PolarHBondContact O-N 3.48Å; G172-G176 VanDerWaalsContact O-N 3.07Å; N173-G176 PolarHBondContact O-N 3.47Å; G176-I179 PolarHBondContact O-N 3.33Å; G176-L180 VanDerWaalsContact O-CB 3.31Å; G176-L180 WeakPolarHBondContact O-CB 3.4Å; G176-L180 PolarHBondContact O-N 3.31Å |
| 177 | T | 97.6 | Very high | 96.8 | Very high | 42 Ų | 42 | 40.7 Ų | 40.7 | 26% | 0.258 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.8 | -41.3 | 178.2 | -53.8 | 0 | 0 | 0 | 0 | 111.9 | N173 K175 I179 L180 Q181 | N173-T177 VanDerWaalsContact O-CB 3.3Å; N173-T177 WeakPolarHBondContact O-CB 3.35Å; N173-T177 PolarHBondContact O-N 2.82Å; N173-T177 PolarHBondContact O-OG1 2.92Å; K175-T177 VanDerWaalsContact C-N 3.34Å; K175-T177 PolarHBondContact O-N 3.4Å; T177-I179 VanDerWaalsContact C-N 3.34Å; T177-I179 PolarHBondContact O-N 2.91Å; T177-L180 PolarHBondContact O-N 3.16Å; T177-Q181 HydrophobicContact CG2-CG 4.35Å; T177-Q181 WeakPolarHBondContact O-CB 3.05Å; T177-Q181 VanDerWaalsContact O-CG 3.29Å; T177-Q181 WeakPolarHBondContact O-CG 3.33Å; T177-Q181 PolarHBondContact O-N 3.4Å |
| 178 | K | 97.1 | Very high | 96.6 | Very high | 99 Ų | 99 | 44.2 Ų | 44.2 | 43% | 0.43 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.2 | -44.6 | 174.8 | 178.7 | -173.2 | 174.6 | -170.3 | 0 | 111.5 | E64 L174 K175 S182 | E64-K178 IonicContact OE2-NZ 3.93Å; E64-K178 PolarHBondContact OE2-NZ 2.94Å; L174-K178 WeakPolarHBondContact O-CB 3.07Å; L174-K178 PolarHBondContact O-N 3.5Å; K175-K178 PolarHBondContact O-N 3.5Å; K178-S182 PolarHBondContact O-N 2.93Å; K178-S182 PolarHBondContact O-OG 3.21Å |
| 179 | I | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.8 | -52.1 | 176.6 | -70.4 | 171.3 | 0 | 0 | 0 | 110.1 | V49 W51 L84 L119 I171 K175 G176 T177 Q181 S182 I183 V189 M191 | V49-I179 HydrophobicContact CG1-CD1 4.29Å; V49-I179 HydrophobicContact CG1-CG1 4.45Å; W51-I179 HydrophobicContact CZ2-CG1 4.25Å; L84-I179 HydrophobicContact CD1-CD1 4.28Å; L84-I179 HydrophobicContact CD1-CG2 3.69Å; L119-I179 HydrophobicContact CD2-CB 4.39Å; L119-I179 HydrophobicContact CD2-CG2 3.59Å; I171-I179 HydrophobicContact CD1-CD1 4.22Å; K175-I179 HydrophobicContact CG-CD1 4.06Å; K175-I179 WeakPolarHBondContact O-CG1 3.33Å; K175-I179 PolarHBondContact O-N 3.44Å; G176-I179 PolarHBondContact O-N 3.33Å; T177-I179 VanDerWaalsContact C-N 3.34Å; T177-I179 PolarHBondContact O-N 2.91Å; I179-Q181 VanDerWaalsContact C-N 3.35Å; I179-Q181 PolarHBondContact O-N 3.01Å; I179-S182 WeakPolarHBondContact O-CA 3.2Å; I179-S182 VanDerWaalsContact O-CB 3.32Å; I179-S182 WeakPolarHBondContact O-CB 3.38Å; I179-S182 PolarHBondContact O-N 2.91Å; I179-I183 HydrophobicContact CG2-CD1 3.84Å; I179-I183 WeakPolarHBondContact O-CG1 3.16Å; I179-I183 PolarHBondContact O-N 3.27Å; I179-V189 HydrophobicContact CG2-CG1 4.33Å; I179-M191 HydrophobicContact CD1-CE 3.85Å |
| 180 | L | 97.4 | Very high | 96.5 | Very high | 11 Ų | 11 | 46.2 Ų | 46.2 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.7 | -46.7 | -178.6 | 178.5 | 63.9 | 0 | 0 | 0 | 112 | P86 L93 L119 F146 G176 T177 S182 I183 Q184 | P86-L180 HydrophobicContact CB-CD1 3.58Å; P86-L180 HydrophobicContact CG-CD1 3.86Å; L93-L180 HydrophobicContact CD1-CD2 3.77Å; L93-L180 HydrophobicContact CD2-CD1 3.89Å; L93-L180 HydrophobicContact CD2-CD2 3.72Å; L93-L180 HydrophobicContact CD2-CG 4.46Å; L93-L180 HydrophobicContact CG-CD2 4.4Å; L119-L180 HydrophobicContact CD2-CB 4.17Å; L119-L180 HydrophobicContact CD2-CD1 4.45Å; F146-L180 HydrophobicContact CZ-CD2 4.03Å; G176-L180 VanDerWaalsContact O-CB 3.31Å; G176-L180 WeakPolarHBondContact O-CB 3.4Å; G176-L180 PolarHBondContact O-N 3.31Å; T177-L180 PolarHBondContact O-N 3.16Å; L180-S182 VanDerWaalsContact C-N 3.27Å; L180-S182 PolarHBondContact O-N 3.45Å; L180-I183 PolarHBondContact O-N 3.42Å; L180-Q184 HydrophobicContact CD1-CG 4.4Å; L180-Q184 WeakPolarHBondContact O-CG 3.18Å; L180-Q184 PolarHBondContact O-N 2.92Å |
| 181 | Q | 96.8 | Very high | 96.5 | Very high | 96 Ų | 96 | 46.2 Ų | 46.2 | 45% | 0.449 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.6 | -33.4 | 176.9 | -73.9 | 179.1 | 0.1 | 0 | 0 | 112.6 | T177 I179 R185 | T177-Q181 HydrophobicContact CG2-CG 4.35Å; T177-Q181 WeakPolarHBondContact O-CB 3.05Å; T177-Q181 VanDerWaalsContact O-CG 3.29Å; T177-Q181 WeakPolarHBondContact O-CG 3.33Å; T177-Q181 PolarHBondContact O-N 3.4Å; I179-Q181 VanDerWaalsContact C-N 3.35Å; I179-Q181 PolarHBondContact O-N 3.01Å; Q181-R185 VanDerWaalsContact O-CG 3.29Å; Q181-R185 WeakPolarHBondContact O-CG 3.26Å; Q181-R185 PolarHBondContact O-N 3.41Å |
| 182 | S | 95.9 | Very high | 96.5 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.6 | -46.1 | 175.8 | -56.2 | 0 | 0 | 0 | 0 | 110.6 | W51 K178 I179 L180 Q184 R185 I187 | W51-S182 PolarHBondContact NE1-OG 3.48Å; K178-S182 PolarHBondContact O-N 2.93Å; K178-S182 PolarHBondContact O-OG 3.21Å; I179-S182 WeakPolarHBondContact O-CA 3.2Å; I179-S182 VanDerWaalsContact O-CB 3.32Å; I179-S182 WeakPolarHBondContact O-CB 3.38Å; I179-S182 PolarHBondContact O-N 2.91Å; L180-S182 VanDerWaalsContact C-N 3.27Å; L180-S182 PolarHBondContact O-N 3.45Å; S182-Q184 PolarHBondContact O-N 3.42Å; S182-R185 PolarHBondContact O-N 2.98Å; S182-R185 VanDerWaalsContact O-N 3.14Å; S182-I187 VanDerWaalsContact O-CB 3.3Å; S182-I187 WeakPolarHBondContact O-CB 3.48Å; S182-I187 PolarHBondContact O-N 2.81Å |
| 183 | I | 95.9 | Very high | 96.5 | Very high | 35 Ų | 35 | 48.4 Ų | 48.4 | 18% | 0.179 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 178.3 | -62.2 | 166.3 | 0 | 0 | 0 | 110.8 | L84 P86 L119 I179 L180 R185 G186 I187 V189 | L84-I183 HydrophobicContact CB-CD1 3.86Å; L84-I183 WeakPolarHBondContact O-CD1 3.42Å; P86-I183 HydrophobicContact CG-CG2 4.04Å; L119-I183 HydrophobicContact CD2-CD1 3.95Å; I179-I183 HydrophobicContact CG2-CD1 3.84Å; I179-I183 WeakPolarHBondContact O-CG1 3.16Å; I179-I183 PolarHBondContact O-N 3.27Å; L180-I183 PolarHBondContact O-N 3.42Å; I183-R185 PolarHBondContact O-N 2.98Å; I183-G186 PolarHBondContact O-N 3.22Å; I183-I187 WeakPolarHBondContact CA-O 3.45Å; I183-V189 HydrophobicContact CG1-CB 4.19Å; I183-V189 HydrophobicContact CG1-CG2 3.76Å |
| 184 | Q | 94.6 | Very high | 96.5 | Very high | 129 Ų | 129 | 52.9 Ų | 52.9 | 60% | 0.603 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.4 | -24.6 | 177.2 | -72.4 | 174.3 | -17 | 0 | 0 | 113.3 | L180 S182 G186 | L180-Q184 HydrophobicContact CD1-CG 4.4Å; L180-Q184 WeakPolarHBondContact O-CG 3.18Å; L180-Q184 PolarHBondContact O-N 2.92Å; S182-Q184 PolarHBondContact O-N 3.42Å; Q184-G186 VanDerWaalsContact C-N 3.26Å; Q184-G186 PolarHBondContact O-N 2.96Å |
| 185 | R | 94.1 | Very high | 96.5 | Very high | 199 Ų | 199 | 50.7 Ų | 50.7 | 75% | 0.751 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 7.6 | 173.1 | -71.2 | 176.4 | -178.1 | -179.3 | 2.3 | 113.5 | Q181 S182 I183 | Q181-R185 VanDerWaalsContact O-CG 3.29Å; Q181-R185 WeakPolarHBondContact O-CG 3.26Å; Q181-R185 PolarHBondContact O-N 3.41Å; S182-R185 PolarHBondContact O-N 2.98Å; S182-R185 VanDerWaalsContact O-N 3.14Å; I183-R185 PolarHBondContact O-N 2.98Å |
| 186 | G | 92.3 | Very high | 96.4 | Very high | 64 Ų | 64 | 50.7 Ų | 50.7 | 66% | 0.66 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 13.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | I183 Q184 | I183-G186 PolarHBondContact O-N 3.22Å; Q184-G186 VanDerWaalsContact C-N 3.26Å; Q184-G186 PolarHBondContact O-N 2.96Å |
| 187 | I | 93.2 | Very high | 96.1 | Very high | 38 Ų | 38 | 56 Ų | 56 | 20% | 0.195 | 29% | 0.286 | C | S | . | . | trans | -87.9 | 117.7 | 175.3 | -57.9 | 172.3 | 0 | 0 | 0 | 108.2 | W51 S182 I183 V189 | W51-I187 HydrophobicContact CB-CG2 4.08Å; S182-I187 VanDerWaalsContact O-CB 3.3Å; S182-I187 WeakPolarHBondContact O-CB 3.48Å; S182-I187 PolarHBondContact O-N 2.81Å; I183-I187 WeakPolarHBondContact CA-O 3.45Å; I187-V189 PolarHBondContact O-N 3.14Å | ||
| 188 | Q | 93.8 | Very high | 95.7 | Very high | 75 Ų | 75 | 60.2 Ų | 60.2 | 35% | 0.35 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 127.4 | 173.4 | -174.1 | -178.2 | -10.3 | 0 | 0 | 109.7 | R52 V83 | R52-Q188 HydrophobicContact CB-CB 4.24Å; R52-Q188 PolarHBondContact N-O 2.94Å; V83-Q188 HydrophobicContact CG1-CG 3.94Å |
| 189 | V | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128.9 | 178 | -169 | 0 | 0 | 0 | 0 | 109.3 | V49 S50 W51 L84 I179 I183 I187 | V49-V189 HydrophobicContact CG1-CG1 3.51Å; S50-V189 CarbonylContact O-C 3.46Å; S50-V189 VanDerWaalsContact O-CA 3.3Å; S50-V189 WeakPolarHBondContact O-CA 3.3Å; S50-V189 WeakPolarHBondContact O-CG1 3.29Å; W51-V189 HydrophobicContact CG-CG2 4.34Å; L84-V189 HydrophobicContact CD1-CB 4.4Å; L84-V189 HydrophobicContact CD1-CG1 3.92Å; L84-V189 PolarHBondContact N-O 3.42Å; I179-V189 HydrophobicContact CG2-CG1 4.33Å; I183-V189 HydrophobicContact CG1-CB 4.19Å; I183-V189 HydrophobicContact CG1-CG2 3.76Å; I187-V189 PolarHBondContact O-N 3.14Å |
| 190 | T | 97.4 | Very high | 93.6 | Very high | 41 Ų | 41 | 60.7 Ų | 60.7 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 140.8 | 175.3 | -56.5 | 0 | 0 | 0 | 0 | 108.8 | S50 G82 | S50-T190 PolarHBondContact N-O 3.49Å; S50-T190 PolarHBondContact O-N 3.21Å; S50-T190 WeakPolarHBondContact OG-CB 3.25Å; S50-T190 PolarHBondContact OG-O 3.49Å; G82-T190 WeakPolarHBondContact O-CA 3.46Å; G82-T190 WeakPolarHBondContact O-CG2 3.3Å |
| 191 | M | 98.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 136.2 | 177.4 | 176.1 | -176.8 | -77.5 | 0 | 0 | 110.1 | L47 N48 V49 S81 G82 L84 L117 V144 I169 I179 I193 | L47-M191 HydrophobicContact CD1-CE 4.23Å; L47-M191 HydrophobicContact CD2-SD 4.3Å; N48-M191 WeakPolarHBondContact O-CA 3.43Å; V49-M191 HydrophobicContact CG2-CE 3.58Å; V49-M191 HydrophobicContact CG2-CG 4.26Å; S81-M191 VanDerWaalsContact CA-O 3.27Å; S81-M191 WeakPolarHBondContact CA-O 3.48Å; G82-M191 PolarHBondContact N-O 2.85Å; G82-M191 PolarHBondContact O-N 3.16Å; L84-M191 HydrophobicContact CD1-CB 3.78Å; L84-M191 HydrophobicContact CD1-CE 3.95Å; L84-M191 HydrophobicContact CD1-SD 4.45Å; L84-M191 HydrophobicContact CD2-CB 4.48Å; L84-M191 HydrophobicContact CD2-SD 4.41Å; L84-M191 HydrophobicContact CG-CB 4.09Å; L117-M191 HydrophobicContact CD1-CB 4.04Å; L117-M191 HydrophobicContact CD1-CG 4.36Å; V144-M191 HydrophobicContact CG1-CE 4.48Å; V144-M191 HydrophobicContact CG1-SD 4.38Å; V144-M191 HydrophobicContact CG2-SD 3.91Å; I169-M191 HydrophobicContact CD1-SD 4.31Å; I179-M191 HydrophobicContact CD1-CE 3.85Å; M191-I193 HydrophobicContact CG-CG1 3.85Å; M191-I193 HydrophobicContact SD-CD1 4.06Å; M191-I193 HydrophobicContact SD-CG1 3.85Å |
| 192 | V | 98.3 | Very high | 90.1 | Very high | 49 Ų | 49 | 68 Ų | 68 | 30% | 0.297 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.4 | 164.6 | -174.6 | 0 | 0 | 0 | 0 | 107.2 | L47 N48 E194 | L47-V192 WeakPolarHBondContact CA-O 3.44Å; N48-V192 HydrophobicContact CB-CB 4.19Å; N48-V192 PolarHBondContact N-O 2.99Å; N48-V192 PolarHBondContact O-N 3.01Å; V192-E194 HydrophobicContact CG1-CG 4.32Å |
| 193 | I | 98.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122.6 | 178.9 | -52.4 | 174 | 0 | 0 | 0 | 106.6 | A45 Y46 L47 Y71 P79 V80 L117 V144 I169 M191 | A45-I193 HydrophobicContact CB-CG2 4.12Å; Y46-I193 WeakPolarHBondContact O-CA 3.41Å; L47-I193 HydrophobicContact CD2-CB 4.43Å; L47-I193 HydrophobicContact CD2-CG1 4.09Å; L47-I193 HydrophobicContact CD2-CG2 4.06Å; Y71-I193 HydrophobicContact CE2-CG2 4.34Å; Y71-I193 WeakPolarHBondContact OH-CG2 3.3Å; P79-I193 CarbonylContact C-O 3.52Å; P79-I193 WeakPolarHBondContact CA-O 3.4Å; V80-I193 HydrophobicContact CG1-CB 3.97Å; V80-I193 HydrophobicContact CG1-CD1 3.77Å; V80-I193 HydrophobicContact CG1-CG1 4.19Å; V80-I193 PolarHBondContact N-O 3.38Å; V80-I193 PolarHBondContact O-N 3.2Å; L117-I193 HydrophobicContact CD1-CD1 3.97Å; L117-I193 HydrophobicContact CD1-CG1 4.38Å; V144-I193 HydrophobicContact CG2-CD1 3.96Å; I169-I193 HydrophobicContact CD1-CD1 3.53Å; I169-I193 HydrophobicContact CD1-CG1 3.99Å; I169-I193 HydrophobicContact CD1-CG2 4.11Å; I169-I193 HydrophobicContact CG1-CD1 3.92Å; I169-I193 HydrophobicContact CG2-CG2 3.9Å; M191-I193 HydrophobicContact CG-CG1 3.85Å; M191-I193 HydrophobicContact SD-CD1 4.06Å; M191-I193 HydrophobicContact SD-CG1 3.85Å |
| 194 | E | 98.1 | Very high | 86.8 | Confident | 109 Ų | 109 | 74.6 Ų | 74.6 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 156.7 | 173.5 | -66.3 | 179.8 | 175.9 | 0 | 0 | 110.3 | Y46 Y71 P79 V192 G196 | Y46-E194 PolarHBondContact N-O 3.05Å; Y46-E194 PolarHBondContact O-N 3.49Å; Y71-E194 PolarHBondContact OH-O 2.89Å; Y71-E194 VanDerWaalsContact OH-O 3.12Å; P79-E194 HydrophobicContact CB-CG 4.36Å; V192-E194 HydrophobicContact CG1-CG 4.32Å; E194-G196 PolarHBondContact O-N 3.36Å |
| 195 | V | 97.5 | Very high | 85.7 | Confident | 47 Ų | 47 | 74.3 Ų | 74.3 | 29% | 0.285 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 122.7 | 179.3 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | W43 Y71 L77 | W43-V195 HydrophobicContact CE3-CG1 3.76Å; W43-V195 HydrophobicContact CZ3-CG1 4.06Å; Y71-V195 PolarHBondContact OH-N 3.14Å; L77-V195 VanDerWaalsContact C-CG2 3.48Å; L77-V195 HydrophobicContact CB-CG2 4.32Å; L77-V195 WeakPolarHBondContact O-CG2 3.37Å |
| 196 | G | 95 | Very high | 84.9 | Confident | 10 Ų | 10 | 74.2 Ų | 74.2 | 10% | 0.103 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -151.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | T44 E194 | T44-G196 WeakPolarHBondContact O-CA 3.18Å; T44-G196 PolarHBondContact O-N 3.45Å; E194-G196 PolarHBondContact O-N 3.36Å |
| 197 | K | 92.3 | Very high | 84.2 | Confident | 113 Ų | 113 | 74.4 Ų | 74.4 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 141.1 | -178.2 | -64.3 | 177.5 | -172.1 | 131.3 | 0 | 111.5 | T44 Y46 E67 H199 | T44-K197 PolarHBondContact N-O 3.44Å; T44-K197 PolarHBondContact OG1-N 3.02Å; T44-K197 PolarHBondContact OG1-O 2.74Å; Y46-K197 VanDerWaalsContact OH-CE 3.27Å; Y46-K197 WeakPolarHBondContact OH-CE 3.23Å; Y46-K197 PolarHBondContact OH-NZ 3.32Å; E67-K197 IonicContact OE1-NZ 2.82Å; E67-K197 IonicContact OE2-NZ 3.06Å; E67-K197 PolarHBondContact OE2-NZ 3.5Å; K197-H199 PolarHBondContact O-N 3.44Å; K197-H199 PolarHBondContact O-ND1 3.3Å; K197-H199 VanDerWaalsContact O-ND1 3.16Å |
| 198 | K | 89.1 | Confident | 83.6 | Confident | 129 Ų | 129 | 77 Ų | 77 | 56% | 0.561 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 114.7 | 169 | -168.7 | 178.9 | -172.9 | 174.4 | 0 | 110.3 | A41 W43 | A41-K198 HydrophobicContact CB-CD 4.14Å; A41-K198 HydrophobicContact CB-CG 3.85Å; W43-K198 HydrophobicContact CD2-CB 3.94Å; W43-K198 HydrophobicContact CD2-CG 4.2Å; W43-K198 HydrophobicContact CE3-CB 3.88Å; W43-K198 HydrophobicContact CH2-CB 3.88Å; W43-K198 HydrophobicContact CH2-CD 4.21Å; W43-K198 HydrophobicContact CH2-CG 4.41Å; W43-K198 HydrophobicContact CZ2-CB 3.93Å; W43-K198 HydrophobicContact CZ2-CD 3.66Å; W43-K198 HydrophobicContact CZ2-CG 3.96Å; W43-K198 HydrophobicContact CZ3-CB 3.85Å |
| 199 | H | 81.4 | Confident | 83.2 | Confident | 79 Ų | 79 | 78.5 Ų | 78.5 | 37% | 0.366 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 104.3 | 169.4 | -70.8 | 75.2 | 0 | 0 | 0 | 108.3 | A41 V42 T44 K197 | A41-H199 CarbonylContact C-O 3.6Å; A41-H199 WeakPolarHBondContact CA-O 3.45Å; V42-H199 PolarHBondContact N-O 3.17Å; V42-H199 PolarHBondContact O-N 3.38Å; T44-H199 WeakPolarHBondContact CG2-ND1 3.48Å; K197-H199 PolarHBondContact O-N 3.44Å; K197-H199 PolarHBondContact O-ND1 3.3Å; K197-H199 VanDerWaalsContact O-ND1 3.16Å |
| 200 | G | 68.6 | Low | 82.5 | Confident | 31 Ų | 31 | 85.4 Ų | 85.4 | 32% | 0.32 | 42% | 0.419 | S | S | . | . | trans | -73.9 | 168.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | W202 | G200-W202 VanDerWaalsContact O-CD1 3.25Å; G200-W202 PolarHBondContact O-N 2.97Å | ||
| 201 | P | 65.4 | Low | 82 | Confident | 53 Ų | 53 | 88 Ų | 88 | 34% | 0.344 | 44% | 0.435 | S | S | . | . | trans | -59.2 | 112.1 | 154.3 | 28.8 | -35.5 | 0 | 0 | 0 | 108.5 | A39 V203 | A39-P201 HydrophobicContact CB-CB 3.64Å; A39-P201 WeakPolarHBondContact O-CB 3.41Å; A39-P201 VanDerWaalsContact O-CD 3.27Å; A39-P201 WeakPolarHBondContact O-CD 3.37Å; A39-P201 WeakPolarHBondContact O-CG 3.27Å; P201-V203 HydrophobicContact CB-CG2 4.29Å; P201-V203 PolarHBondContact O-N 2.92Å | ||
| 202 | W | 54.9 | Low | 81.6 | Confident | 208 Ų | 208 | 90.2 Ų | 90.2 | 79% | 0.788 | 45% | 0.45 | S | S | * | . | trans | -73.6 | 49 | 169.6 | -53.3 | 86.4 | 0 | 0 | 0 | 110.4 | G200 N204 | G200-W202 VanDerWaalsContact O-CD1 3.25Å; G200-W202 PolarHBondContact O-N 2.97Å; W202-N204 PolarHBondContact O-N 3.29Å; W202-N204 VanDerWaalsContact O-N 3.09Å | ||
| 203 | V | 58.4 | Low | 81.3 | Confident | 90 Ų | 90 | 91.5 Ų | 91.5 | 55% | 0.545 | 46% | 0.458 | S | S | . | . | trans | -78.4 | 90.1 | 159.8 | -66.1 | 0 | 0 | 0 | 0 | 105.7 | P201 H205 I208 | P201-V203 HydrophobicContact CB-CG2 4.29Å; P201-V203 PolarHBondContact O-N 2.92Å; V203-H205 PolarHBondContact O-N 3.1Å; V203-I208 HydrophobicContact CB-CD1 3.96Å; V203-I208 HydrophobicContact CB-CG1 4.39Å; V203-I208 HydrophobicContact CG2-CD1 3.92Å | ||
| 204 | N | 64.8 | Low | 81.1 | Confident | 102 Ų | 102 | 93.3 Ų | 93.3 | 55% | 0.545 | 47% | 0.471 | S | S | . | . | trans | -50.6 | 122.8 | 170.4 | -80.2 | -33.3 | 0 | 0 | 0 | 106.8 | W202 Y206 S207 I208 | W202-N204 PolarHBondContact O-N 3.29Å; W202-N204 VanDerWaalsContact O-N 3.09Å; N204-Y206 PolarHBondContact O-N 3.26Å; N204-S207 WeakPolarHBondContact O-CA 3.39Å; N204-S207 VanDerWaalsContact O-CB 3.29Å; N204-S207 WeakPolarHBondContact O-CB 3.15Å; N204-S207 PolarHBondContact O-N 3.47Å; N204-I208 PolarHBondContact O-N 3.39Å | ||
| 205 | H | 70.5 | Confident | 80.9 | Confident | 123 Ų | 123 | 94.5 Ų | 94.5 | 57% | 0.569 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -48.5 | -38.9 | 176.7 | -175.9 | -101.6 | 0 | 0 | 0 | 110 | V203 S207 I208 F209 | V203-H205 PolarHBondContact O-N 3.1Å; H205-S207 VanDerWaalsContact C-N 3.32Å; H205-S207 PolarHBondContact O-N 3.47Å; H205-I208 PolarHBondContact O-N 2.76Å; H205-F209 AromaticContact CD2-CE2 3.52Å; H205-F209 AromaticContact CE1-CD2 3.62Å; H205-F209 AromaticContact CE1-CE2 2.93Å; H205-F209 WeakPolarHBondContact CE1-CE2 3.38Å; H205-F209 AromaticContact CE1-CZ 3.19Å; H205-F209 WeakPolarHBondContact CE1-CZ 3.26Å; H205-F209 AromaticContact CG-CD2 3.93Å; H205-F209 AromaticContact CG-CE2 3.75Å; H205-F209 AromaticContact ND1-CD2 3.6Å; H205-F209 AromaticContact ND1-CE2 3.4Å; H205-F209 WeakPolarHBondContact ND1-CE2 3.35Å; H205-F209 AromaticContact NE2-CD2 3.94Å; H205-F209 AromaticContact NE2-CE2 3Å; H205-F209 WeakPolarHBondContact NE2-CE2 3.44Å; H205-F209 AromaticContact NE2-CZ 3.44Å; H205-F209 WeakPolarHBondContact NE2-CZ 3.48Å; H205-F209 WeakPolarHBondContact O-CD2 3.21Å; H205-F209 PolarHBondContact O-N 3.43Å |
| 206 | Y | 78.1 | Confident | 80.8 | Confident | 196 Ų | 196 | 98.9 Ų | 98.9 | 77% | 0.769 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -55.8 | -35.9 | 172.1 | -60.2 | -72.8 | 0 | 0 | 0 | 115.5 | N204 F210 | N204-Y206 PolarHBondContact O-N 3.26Å; Y206-F210 VanDerWaalsContact O-CB 3.25Å; Y206-F210 WeakPolarHBondContact O-CB 3.22Å; Y206-F210 PolarHBondContact O-N 2.62Å |
| 207 | S | 78.1 | Confident | 80.8 | Confident | 68 Ų | 68 | 103.6 Ų | 103.6 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.2 | -45 | 178 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | N204 H205 F209 F210 V211 | N204-S207 WeakPolarHBondContact O-CA 3.39Å; N204-S207 VanDerWaalsContact O-CB 3.29Å; N204-S207 WeakPolarHBondContact O-CB 3.15Å; N204-S207 PolarHBondContact O-N 3.47Å; H205-S207 VanDerWaalsContact C-N 3.32Å; H205-S207 PolarHBondContact O-N 3.47Å; S207-F209 VanDerWaalsContact C-N 3.32Å; S207-F209 PolarHBondContact O-N 3.12Å; S207-F210 PolarHBondContact O-N 2.95Å; S207-V211 WeakPolarHBondContact O-CG2 3.5Å; S207-V211 PolarHBondContact O-N 3.4Å |
| 208 | I | 80.8 | Confident | 81 | Confident | 93 Ų | 93 | 103.4 Ų | 103.4 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 176 | -63.6 | 173.9 | 0 | 0 | 0 | 110.1 | V203 N204 H205 F210 V211 S212 | V203-I208 HydrophobicContact CB-CD1 3.96Å; V203-I208 HydrophobicContact CB-CG1 4.39Å; V203-I208 HydrophobicContact CG2-CD1 3.92Å; N204-I208 PolarHBondContact O-N 3.39Å; H205-I208 PolarHBondContact O-N 2.76Å; I208-F210 PolarHBondContact O-N 3.06Å; I208-V211 PolarHBondContact O-N 2.91Å; I208-S212 WeakPolarHBondContact O-CB 3.36Å; I208-S212 PolarHBondContact O-N 2.79Å; I208-S212 PolarHBondContact O-OG 3.07Å |
| 209 | F | 84.2 | Confident | 81.3 | Confident | 107 Ų | 107 | 99.5 Ų | 99.5 | 47% | 0.469 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -45 | 177.2 | -84.2 | -107.4 | 0 | 0 | 0 | 111.3 | H205 S207 V211 S212 V213 | H205-F209 AromaticContact CD2-CE2 3.52Å; H205-F209 AromaticContact CE1-CD2 3.62Å; H205-F209 AromaticContact CE1-CE2 2.93Å; H205-F209 WeakPolarHBondContact CE1-CE2 3.38Å; H205-F209 AromaticContact CE1-CZ 3.19Å; H205-F209 WeakPolarHBondContact CE1-CZ 3.26Å; H205-F209 AromaticContact CG-CD2 3.93Å; H205-F209 AromaticContact CG-CE2 3.75Å; H205-F209 AromaticContact ND1-CD2 3.6Å; H205-F209 AromaticContact ND1-CE2 3.4Å; H205-F209 WeakPolarHBondContact ND1-CE2 3.35Å; H205-F209 AromaticContact NE2-CD2 3.94Å; H205-F209 AromaticContact NE2-CE2 3Å; H205-F209 WeakPolarHBondContact NE2-CE2 3.44Å; H205-F209 AromaticContact NE2-CZ 3.44Å; H205-F209 WeakPolarHBondContact NE2-CZ 3.48Å; H205-F209 WeakPolarHBondContact O-CD2 3.21Å; H205-F209 PolarHBondContact O-N 3.43Å; S207-F209 VanDerWaalsContact C-N 3.32Å; S207-F209 PolarHBondContact O-N 3.12Å; F209-V211 PolarHBondContact O-N 2.05Å; F209-S212 PolarHBondContact O-N 3.37Å; F209-S212 PolarHBondContact O-OG 3.47Å; F209-V213 WeakPolarHBondContact O-CB 3.39Å; F209-V213 VanDerWaalsContact O-CG2 3.26Å; F209-V213 WeakPolarHBondContact O-CG2 3.48Å; F209-V213 PolarHBondContact O-N 2.82Å |
| 210 | F | 83.1 | Confident | 82 | Confident | 146 Ų | 146 | 98.8 Ų | 98.8 | 64% | 0.64 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.7 | -43.1 | 179.3 | -173.1 | -95.3 | 0 | 0 | 0 | 112.8 | Y206 S207 I208 S214 | Y206-F210 VanDerWaalsContact O-CB 3.25Å; Y206-F210 WeakPolarHBondContact O-CB 3.22Å; Y206-F210 PolarHBondContact O-N 2.62Å; S207-F210 PolarHBondContact O-N 2.95Å; I208-F210 PolarHBondContact O-N 3.06Å; F210-S214 WeakPolarHBondContact O-CB 3.26Å; F210-S214 PolarHBondContact O-N 2.97Å; F210-S214 PolarHBondContact O-OG 2.8Å |
| 211 | V | 87.1 | Confident | 83.4 | Confident | 96 Ų | 96 | 100.4 Ų | 100.4 | 58% | 0.582 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.3 | -44.8 | 177 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | S207 I208 F209 S214 F215 | S207-V211 WeakPolarHBondContact O-CG2 3.5Å; S207-V211 PolarHBondContact O-N 3.4Å; I208-V211 PolarHBondContact O-N 2.91Å; F209-V211 PolarHBondContact O-N 2.05Å; V211-S214 PolarHBondContact O-N 3.1Å; V211-F215 PolarHBondContact O-N 2.73Å; V211-F215 VanDerWaalsContact O-N 3.1Å |
| 212 | S | 89.5 | Confident | 84.8 | Confident | 45 Ų | 45 | 101.7 Ų | 101.7 | 32% | 0.315 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | -179.6 | 70.6 | 0 | 0 | 0 | 0 | 112.5 | I208 F209 S214 F215 F216 | I208-S212 WeakPolarHBondContact O-CB 3.36Å; I208-S212 PolarHBondContact O-N 2.79Å; I208-S212 PolarHBondContact O-OG 3.07Å; F209-S212 PolarHBondContact O-N 3.37Å; F209-S212 PolarHBondContact O-OG 3.47Å; S212-S214 PolarHBondContact O-N 3Å; S212-F215 WeakPolarHBondContact O-CB 3.27Å; S212-F215 PolarHBondContact O-N 3.42Å; S212-F216 WeakPolarHBondContact O-CD2 2.92Å; S212-F216 PolarHBondContact O-N 3.46Å; S212-F216 VanDerWaalsContact O-N 3.14Å |
| 213 | V | 93.1 | Very high | 86.8 | Confident | 76 Ų | 76 | 95.7 Ų | 95.7 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 178.7 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | F209 F215 F216 I217 | F209-V213 WeakPolarHBondContact O-CB 3.39Å; F209-V213 VanDerWaalsContact O-CG2 3.26Å; F209-V213 WeakPolarHBondContact O-CG2 3.48Å; F209-V213 PolarHBondContact O-N 2.82Å; V213-F215 VanDerWaalsContact C-N 3.3Å; V213-F215 PolarHBondContact O-N 2.9Å; V213-F216 PolarHBondContact O-N 3.42Å; V213-I217 HydrophobicContact CG1-CD1 3.83Å; V213-I217 HydrophobicContact CG1-CG1 4.45Å; V213-I217 WeakPolarHBondContact O-CG1 3.18Å; V213-I217 PolarHBondContact O-N 3.49Å |
| 214 | S | 92.8 | Very high | 88.7 | Confident | 38 Ų | 38 | 93.3 Ų | 93.3 | 27% | 0.266 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 177.5 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | F210 V211 S212 I217 I218 | F210-S214 WeakPolarHBondContact O-CB 3.26Å; F210-S214 PolarHBondContact O-N 2.97Å; F210-S214 PolarHBondContact O-OG 2.8Å; V211-S214 PolarHBondContact O-N 3.1Å; S212-S214 PolarHBondContact O-N 3Å; S214-I217 PolarHBondContact O-N 3.41Å; S214-I218 VanDerWaalsContact O-CG1 3.28Å; S214-I218 WeakPolarHBondContact O-CG1 3.04Å; S214-I218 PolarHBondContact O-N 3.36Å |
| 215 | F | 94.5 | Very high | 90.2 | Very high | 135 Ų | 135 | 96.2 Ų | 96.2 | 59% | 0.592 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -43.6 | 175.8 | 179.8 | -100 | 0 | 0 | 0 | 112.3 | V211 S212 V213 I217 I218 T219 | V211-F215 PolarHBondContact O-N 2.73Å; V211-F215 VanDerWaalsContact O-N 3.1Å; S212-F215 WeakPolarHBondContact O-CB 3.27Å; S212-F215 PolarHBondContact O-N 3.42Å; V213-F215 VanDerWaalsContact C-N 3.3Å; V213-F215 PolarHBondContact O-N 2.9Å; F215-I217 PolarHBondContact O-N 2.66Å; F215-I218 PolarHBondContact O-N 3.37Å; F215-T219 HydrophobicContact CD1-CG2 4.38Å; F215-T219 HydrophobicContact CD2-CG2 4.43Å; F215-T219 HydrophobicContact CE1-CG2 4.03Å; F215-T219 HydrophobicContact CE2-CG2 4.09Å; F215-T219 HydrophobicContact CZ-CG2 3.87Å; F215-T219 WeakPolarHBondContact O-CB 3Å; F215-T219 VanDerWaalsContact O-CG2 3.28Å; F215-T219 WeakPolarHBondContact O-CG2 2.93Å; F215-T219 PolarHBondContact O-N 3.04Å; F215-T219 PolarHBondContact O-OG1 3.33Å |
| 216 | F | 95.1 | Very high | 91.4 | Very high | 139 Ų | 139 | 96.4 Ų | 96.4 | 61% | 0.61 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.2 | -38 | 176.8 | -73.7 | -65.2 | 0 | 0 | 0 | 113.1 | S212 V213 T219 A220 | S212-F216 WeakPolarHBondContact O-CD2 2.92Å; S212-F216 PolarHBondContact O-N 3.46Å; S212-F216 VanDerWaalsContact O-N 3.14Å; V213-F216 PolarHBondContact O-N 3.42Å; F216-T219 VanDerWaalsContact CA-OG1 3.31Å; F216-T219 WeakPolarHBondContact CA-OG1 3.4Å; F216-T219 PolarHBondContact O-OG1 2.84Å; F216-A220 WeakPolarHBondContact O-CB 3.09Å; F216-A220 PolarHBondContact O-N 3.03Å |
| 217 | I | 96 | Very high | 92.3 | Very high | 108 Ų | 108 | 92 Ų | 92 | 55% | 0.554 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.8 | -46 | 178.4 | -67.3 | 170.2 | 0 | 0 | 0 | 110.8 | V213 S214 F215 T219 A220 A221 | V213-I217 HydrophobicContact CG1-CD1 3.83Å; V213-I217 HydrophobicContact CG1-CG1 4.45Å; V213-I217 WeakPolarHBondContact O-CG1 3.18Å; V213-I217 PolarHBondContact O-N 3.49Å; S214-I217 PolarHBondContact O-N 3.41Å; F215-I217 PolarHBondContact O-N 2.66Å; I217-T219 PolarHBondContact O-N 3.27Å; I217-A220 PolarHBondContact O-N 3.01Å; I217-A221 WeakPolarHBondContact O-CB 3.44Å; I217-A221 PolarHBondContact O-N 3.44Å |
| 218 | I | 95.4 | Very high | 93.2 | Very high | 109 Ų | 109 | 94.1 Ų | 94.1 | 56% | 0.559 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.3 | -41.5 | -179.7 | -65.9 | 166.7 | 0 | 0 | 0 | 110.7 | S214 F215 A221 T222 | S214-I218 VanDerWaalsContact O-CG1 3.28Å; S214-I218 WeakPolarHBondContact O-CG1 3.04Å; S214-I218 PolarHBondContact O-N 3.36Å; F215-I218 PolarHBondContact O-N 3.37Å; I218-A221 PolarHBondContact O-N 3.3Å; I218-T222 HydrophobicContact CG2-CG2 4.39Å; I218-T222 WeakPolarHBondContact O-CB 3.19Å; I218-T222 VanDerWaalsContact O-CG2 3.29Å; I218-T222 WeakPolarHBondContact O-CG2 3.25Å; I218-T222 PolarHBondContact O-N 2.89Å; I218-T222 PolarHBondContact O-OG1 3.46Å |
| 219 | T | 95 | Very high | 93.9 | Very high | 47 Ų | 47 | 95.4 Ų | 95.4 | 29% | 0.288 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 177.1 | 50 | 0 | 0 | 0 | 0 | 111.9 | F215 F216 I217 A221 T222 V223 | F215-T219 HydrophobicContact CD1-CG2 4.38Å; F215-T219 HydrophobicContact CD2-CG2 4.43Å; F215-T219 HydrophobicContact CE1-CG2 4.03Å; F215-T219 HydrophobicContact CE2-CG2 4.09Å; F215-T219 HydrophobicContact CZ-CG2 3.87Å; F215-T219 WeakPolarHBondContact O-CB 3Å; F215-T219 VanDerWaalsContact O-CG2 3.28Å; F215-T219 WeakPolarHBondContact O-CG2 2.93Å; F215-T219 PolarHBondContact O-N 3.04Å; F215-T219 PolarHBondContact O-OG1 3.33Å; F216-T219 VanDerWaalsContact CA-OG1 3.31Å; F216-T219 WeakPolarHBondContact CA-OG1 3.4Å; F216-T219 PolarHBondContact O-OG1 2.84Å; I217-T219 PolarHBondContact O-N 3.27Å; T219-A221 PolarHBondContact O-N 2.84Å; T219-T222 WeakPolarHBondContact CA-OG1 3.39Å; T219-T222 PolarHBondContact O-N 3.44Å; T219-T222 PolarHBondContact O-OG1 3.49Å; T219-V223 WeakPolarHBondContact O-CB 3.17Å; T219-V223 VanDerWaalsContact O-CG2 3.26Å; T219-V223 WeakPolarHBondContact O-CG2 3.5Å; T219-V223 PolarHBondContact O-N 3.03Å |
| 220 | A | 96.9 | Very high | 94.4 | Very high | 65 Ų | 65 | 92.7 Ų | 92.7 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F216 I217 G224 | F216-A220 WeakPolarHBondContact O-CB 3.09Å; F216-A220 PolarHBondContact O-N 3.03Å; I217-A220 PolarHBondContact O-N 3.01Å; A220-G224 PolarHBondContact O-N 2.84Å |
| 221 | A | 97.3 | Very high | 95 | Very high | 64 Ų | 64 | 87.6 Ų | 87.6 | 53% | 0.529 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I217 I218 T219 G224 Y225 | I217-A221 WeakPolarHBondContact O-CB 3.44Å; I217-A221 PolarHBondContact O-N 3.44Å; I218-A221 PolarHBondContact O-N 3.3Å; T219-A221 PolarHBondContact O-N 2.84Å; A221-G224 PolarHBondContact O-N 3.49Å; A221-Y225 WeakPolarHBondContact O-CB 3.3Å; A221-Y225 PolarHBondContact O-N 3.36Å |
| 222 | T | 96.5 | Very high | 95.3 | Very high | 80 Ų | 80 | 89.7 Ų | 89.7 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 179.2 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | I218 T219 Y225 F226 | I218-T222 HydrophobicContact CG2-CG2 4.39Å; I218-T222 WeakPolarHBondContact O-CB 3.19Å; I218-T222 VanDerWaalsContact O-CG2 3.29Å; I218-T222 WeakPolarHBondContact O-CG2 3.25Å; I218-T222 PolarHBondContact O-N 2.89Å; I218-T222 PolarHBondContact O-OG1 3.46Å; T219-T222 WeakPolarHBondContact CA-OG1 3.39Å; T219-T222 PolarHBondContact O-N 3.44Å; T219-T222 PolarHBondContact O-OG1 3.49Å; T222-Y225 PolarHBondContact O-N 3.28Å; T222-F226 WeakPolarHBondContact O-CB 3.3Å; T222-F226 PolarHBondContact O-N 3.41Å |
| 223 | V | 96.4 | Very high | 95.5 | Very high | 83 Ų | 83 | 95.8 Ų | 95.8 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 174 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | T219 Y225 F226 I227 | T219-V223 WeakPolarHBondContact O-CB 3.17Å; T219-V223 VanDerWaalsContact O-CG2 3.26Å; T219-V223 WeakPolarHBondContact O-CG2 3.5Å; T219-V223 PolarHBondContact O-N 3.03Å; V223-Y225 PolarHBondContact O-N 2.95Å; V223-F226 PolarHBondContact O-N 3.34Å; V223-I227 HydrophobicContact CG1-CD1 3.78Å; V223-I227 HydrophobicContact CG1-CG1 4.4Å; V223-I227 VanDerWaalsContact O-CG1 3.31Å; V223-I227 WeakPolarHBondContact O-CG1 3.22Å; V223-I227 PolarHBondContact O-N 3.02Å |
| 224 | G | 97.1 | Very high | 95.5 | Very high | 39 Ų | 39 | 96.2 Ų | 96.2 | 40% | 0.402 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.4 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A220 A221 F226 I227 F228 | A220-G224 PolarHBondContact O-N 2.84Å; A221-G224 PolarHBondContact O-N 3.49Å; G224-F226 PolarHBondContact O-N 2.74Å; G224-I227 PolarHBondContact O-N 3.45Å; G224-F228 WeakPolarHBondContact O-CB 3.42Å; G224-F228 PolarHBondContact O-N 3.11Å |
| 225 | Y | 97.4 | Very high | 95.5 | Very high | 164 Ų | 164 | 101.4 Ų | 101.4 | 64% | 0.643 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.5 | -43.7 | 175.2 | -179.2 | -96.4 | 0 | 0 | 0 | 112.1 | A221 T222 V223 F228 Y229 | A221-Y225 WeakPolarHBondContact O-CB 3.3Å; A221-Y225 PolarHBondContact O-N 3.36Å; T222-Y225 PolarHBondContact O-N 3.28Å; V223-Y225 PolarHBondContact O-N 2.95Å; Y225-F228 PolarHBondContact O-N 3.23Å; Y225-Y229 VanDerWaalsContact O-CB 3.28Å; Y225-Y229 WeakPolarHBondContact O-CB 3.26Å; Y225-Y229 PolarHBondContact O-N 3.41Å |
| 226 | F | 96.1 | Very high | 95.4 | Very high | 127 Ų | 127 | 99.4 Ų | 99.4 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.2 | -40.7 | 178.5 | -174.7 | -97 | 0 | 0 | 0 | 112.5 | T222 V223 G224 Y229 S230 | T222-F226 WeakPolarHBondContact O-CB 3.3Å; T222-F226 PolarHBondContact O-N 3.41Å; V223-F226 PolarHBondContact O-N 3.34Å; G224-F226 PolarHBondContact O-N 2.74Å; F226-Y229 PolarHBondContact O-N 3.48Å; F226-S230 VanDerWaalsContact O-CB 3.31Å; F226-S230 WeakPolarHBondContact O-CB 3.25Å; F226-S230 PolarHBondContact O-N 2.82Å; F226-S230 PolarHBondContact O-OG 3.33Å |
| 227 | I | 96.2 | Very high | 95.2 | Very high | 102 Ų | 102 | 95.3 Ų | 95.3 | 52% | 0.523 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 174.4 | -67.4 | 167.8 | 0 | 0 | 0 | 110 | V223 G224 Y229 S230 A231 | V223-I227 HydrophobicContact CG1-CD1 3.78Å; V223-I227 HydrophobicContact CG1-CG1 4.4Å; V223-I227 VanDerWaalsContact O-CG1 3.31Å; V223-I227 WeakPolarHBondContact O-CG1 3.22Å; V223-I227 PolarHBondContact O-N 3.02Å; G224-I227 PolarHBondContact O-N 3.45Å; I227-Y229 PolarHBondContact O-N 2.89Å; I227-S230 WeakPolarHBondContact CA-OG 3.42Å; I227-S230 PolarHBondContact O-N 3.31Å; I227-S230 PolarHBondContact O-OG 3.33Å; I227-A231 VanDerWaalsContact O-CB 3.24Å; I227-A231 WeakPolarHBondContact O-CB 3.43Å; I227-A231 PolarHBondContact O-N 3.35Å |
| 228 | F | 96.5 | Very high | 95 | Very high | 114 Ų | 114 | 97.2 Ų | 97.2 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 177.5 | 178.9 | -100.4 | 0 | 0 | 0 | 112.1 | G224 Y225 A231 R232 | G224-F228 WeakPolarHBondContact O-CB 3.42Å; G224-F228 PolarHBondContact O-N 3.11Å; Y225-F228 PolarHBondContact O-N 3.23Å; F228-A231 PolarHBondContact O-N 2.75Å; F228-R232 VanDerWaalsContact O-CB 3.27Å; F228-R232 WeakPolarHBondContact O-CB 3.38Å; F228-R232 PolarHBondContact O-N 3.12Å |
| 229 | Y | 96.2 | Very high | 94.8 | Very high | 119 Ų | 119 | 94.4 Ų | 94.4 | 47% | 0.467 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 178.5 | 178.8 | -95.4 | 0 | 0 | 0 | 111.7 | Y225 F226 I227 R232 R233 | Y225-Y229 VanDerWaalsContact O-CB 3.28Å; Y225-Y229 WeakPolarHBondContact O-CB 3.26Å; Y225-Y229 PolarHBondContact O-N 3.41Å; F226-Y229 PolarHBondContact O-N 3.48Å; I227-Y229 PolarHBondContact O-N 2.89Å; Y229-R232 PolarHBondContact O-N 2.92Å; Y229-R233 WeakPolarHBondContact O-CB 3.41Å; Y229-R233 PolarHBondContact O-N 3.25Å |
| 230 | S | 94.1 | Very high | 94.6 | Very high | 50 Ų | 50 | 99 Ų | 99 | 35% | 0.35 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 179 | 60.4 | 0 | 0 | 0 | 0 | 112 | F226 I227 R233 L234 | F226-S230 VanDerWaalsContact O-CB 3.31Å; F226-S230 WeakPolarHBondContact O-CB 3.25Å; F226-S230 PolarHBondContact O-N 2.82Å; F226-S230 PolarHBondContact O-OG 3.33Å; I227-S230 WeakPolarHBondContact CA-OG 3.42Å; I227-S230 PolarHBondContact O-N 3.31Å; I227-S230 PolarHBondContact O-OG 3.33Å; S230-R233 PolarHBondContact O-N 2.78Å; S230-L234 WeakPolarHBondContact O-CB 3.28Å; S230-L234 PolarHBondContact O-N 2.8Å |
| 231 | A | 95.1 | Very high | 94.2 | Very high | 40 Ų | 40 | 98.1 Ų | 98.1 | 33% | 0.331 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I227 F228 L234 R235 | I227-A231 VanDerWaalsContact O-CB 3.24Å; I227-A231 WeakPolarHBondContact O-CB 3.43Å; I227-A231 PolarHBondContact O-N 3.35Å; F228-A231 PolarHBondContact O-N 2.75Å; A231-L234 PolarHBondContact O-N 3.49Å; A231-R235 WeakPolarHBondContact O-CB 3.45Å; A231-R235 WeakPolarHBondContact O-CG 3.48Å; A231-R235 PolarHBondContact O-N 2.9Å |
| 232 | R | 94.4 | Very high | 93.9 | Very high | 140 Ų | 140 | 104.3 Ų | 104.3 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 175.3 | -175.6 | 175.2 | -178.3 | 174.4 | -0.3 | 111.2 | F228 Y229 L234 R235 N236 | F228-R232 VanDerWaalsContact O-CB 3.27Å; F228-R232 WeakPolarHBondContact O-CB 3.38Å; F228-R232 PolarHBondContact O-N 3.12Å; Y229-R232 PolarHBondContact O-N 2.92Å; R232-L234 VanDerWaalsContact C-N 3.34Å; R232-L234 PolarHBondContact O-N 3.26Å; R232-R235 PolarHBondContact O-N 3.46Å; R232-N236 WeakPolarHBondContact O-CB 3.36Å; R232-N236 VanDerWaalsContact O-CG 3.31Å; R232-N236 PolarHBondContact O-N 3.13Å; R232-N236 PolarHBondContact O-OD1 2.98Å |
| 233 | R | 93.8 | Very high | 93.5 | Very high | 173 Ų | 173 | 107.5 Ų | 107.5 | 65% | 0.653 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.4 | -44.6 | 177.5 | -175.1 | 176.9 | 179.2 | -173.9 | 1.3 | 111.5 | Y229 S230 N236 A237 | Y229-R233 WeakPolarHBondContact O-CB 3.41Å; Y229-R233 PolarHBondContact O-N 3.25Å; S230-R233 PolarHBondContact O-N 2.78Å; R233-N236 PolarHBondContact O-N 2.83Å; R233-A237 WeakPolarHBondContact O-CB 3.5Å; R233-A237 PolarHBondContact O-N 3Å |
| 234 | L | 93.8 | Very high | 93.1 | Very high | 84 Ų | 84 | 108.3 Ų | 108.3 | 44% | 0.44 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 178.5 | -176.5 | 59 | 0 | 0 | 0 | 112.2 | S230 A231 R232 A237 R238 | S230-L234 WeakPolarHBondContact O-CB 3.28Å; S230-L234 PolarHBondContact O-N 2.8Å; A231-L234 PolarHBondContact O-N 3.49Å; R232-L234 VanDerWaalsContact C-N 3.34Å; R232-L234 PolarHBondContact O-N 3.26Å; L234-A237 PolarHBondContact O-N 2.84Å; L234-R238 HydrophobicContact CD1-CG 4.36Å; L234-R238 WeakPolarHBondContact O-CB 3.27Å; L234-R238 VanDerWaalsContact O-CG 3.25Å; L234-R238 WeakPolarHBondContact O-CG 3.34Å; L234-R238 PolarHBondContact O-N 3.36Å |
| 235 | R | 93.1 | Very high | 92.7 | Very high | 147 Ų | 147 | 115.2 Ų | 115.2 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.4 | -45.8 | 174.6 | -74.8 | -173 | -63.1 | -156.1 | 1.7 | 111.5 | A231 R232 R238 A239 | A231-R235 WeakPolarHBondContact O-CB 3.45Å; A231-R235 WeakPolarHBondContact O-CG 3.48Å; A231-R235 PolarHBondContact O-N 2.9Å; R232-R235 PolarHBondContact O-N 3.46Å; R235-R238 PolarHBondContact O-N 2.8Å; R235-A239 WeakPolarHBondContact O-CB 3.41Å; R235-A239 PolarHBondContact O-N 3.07Å |
| 236 | N | 90.6 | Very high | 92.4 | Very high | 94 Ų | 94 | 112.5 Ų | 112.5 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 178.6 | -71.2 | 8.3 | 0 | 0 | 0 | 111.8 | R232 R233 R238 A239 Q240 | R232-N236 WeakPolarHBondContact O-CB 3.36Å; R232-N236 VanDerWaalsContact O-CG 3.31Å; R232-N236 PolarHBondContact O-N 3.13Å; R232-N236 PolarHBondContact O-OD1 2.98Å; R233-N236 PolarHBondContact O-N 2.83Å; N236-R238 PolarHBondContact O-N 3.09Å; N236-A239 PolarHBondContact O-N 3.05Å; N236-Q240 PolarHBondContact O-N 2.73Å |
| 237 | A | 91.3 | Very high | 92 | Very high | 53 Ų | 53 | 108.8 Ų | 108.8 | 44% | 0.438 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R233 L234 Q240 S241 | R233-A237 WeakPolarHBondContact O-CB 3.5Å; R233-A237 PolarHBondContact O-N 3Å; L234-A237 PolarHBondContact O-N 2.84Å; A237-Q240 PolarHBondContact O-N 3.04Å; A237-S241 WeakPolarHBondContact O-CB 2.9Å; A237-S241 PolarHBondContact O-N 3.5Å |
| 238 | R | 91.4 | Very high | 91.7 | Very high | 148 Ų | 148 | 108.1 Ų | 108.1 | 56% | 0.558 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.7 | -40.8 | 174.2 | -74.3 | 173.6 | 177.8 | 169.4 | -1 | 111.7 | L234 R235 N236 S241 R242 | L234-R238 HydrophobicContact CD1-CG 4.36Å; L234-R238 WeakPolarHBondContact O-CB 3.27Å; L234-R238 VanDerWaalsContact O-CG 3.25Å; L234-R238 WeakPolarHBondContact O-CG 3.34Å; L234-R238 PolarHBondContact O-N 3.36Å; R235-R238 PolarHBondContact O-N 2.8Å; N236-R238 PolarHBondContact O-N 3.09Å; R238-S241 PolarHBondContact O-N 2.9Å; R238-R242 WeakPolarHBondContact O-CG 3.37Å; R238-R242 PolarHBondContact O-N 2.87Å |
| 239 | A | 92.4 | Very high | 91.4 | Very high | 49 Ų | 49 | 105.2 Ų | 105.2 | 41% | 0.405 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R235 N236 R242 K243 | R235-A239 WeakPolarHBondContact O-CB 3.41Å; R235-A239 PolarHBondContact O-N 3.07Å; N236-A239 PolarHBondContact O-N 3.05Å; A239-R242 PolarHBondContact O-N 3.07Å; A239-K243 PolarHBondContact O-N 3.41Å |
| 240 | Q | 89.8 | Confident | 91.1 | Very high | 143 Ų | 143 | 101.4 Ų | 101.4 | 67% | 0.668 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.6 | -42.3 | 176.1 | -170.8 | 175.4 | -2.2 | 0 | 0 | 111.9 | N236 A237 R242 K243 Q244 | N236-Q240 PolarHBondContact O-N 2.73Å; A237-Q240 PolarHBondContact O-N 3.04Å; Q240-R242 VanDerWaalsContact C-N 3.32Å; Q240-R242 PolarHBondContact O-N 3.27Å; Q240-K243 PolarHBondContact O-N 2.75Å; Q240-Q244 PolarHBondContact O-N 2.82Å |
| 241 | S | 89.9 | Confident | 90.9 | Very high | 48 Ų | 48 | 99 Ų | 99 | 34% | 0.336 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.2 | -38 | 175.6 | -173.1 | 0 | 0 | 0 | 0 | 112.4 | A237 R238 R245 | A237-S241 WeakPolarHBondContact O-CB 2.9Å; A237-S241 PolarHBondContact O-N 3.5Å; R238-S241 PolarHBondContact O-N 2.9Å; S241-R245 VanDerWaalsContact O-CG 3.28Å; S241-R245 WeakPolarHBondContact O-CG 3.31Å; S241-R245 PolarHBondContact O-N 3.03Å |
| 242 | R | 90.5 | Very high | 90.7 | Very high | 193 Ų | 193 | 104.3 Ų | 104.3 | 73% | 0.728 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.6 | -48 | 173.7 | -73.3 | 177.5 | -176.7 | -157.8 | 0.7 | 111.7 | R238 A239 Q240 Q244 R245 Q246 | R238-R242 WeakPolarHBondContact O-CG 3.37Å; R238-R242 PolarHBondContact O-N 2.87Å; A239-R242 PolarHBondContact O-N 3.07Å; Q240-R242 VanDerWaalsContact C-N 3.32Å; Q240-R242 PolarHBondContact O-N 3.27Å; R242-Q244 VanDerWaalsContact C-N 3.33Å; R242-Q244 PolarHBondContact O-N 2.94Å; R242-R245 PolarHBondContact O-N 3.26Å; R242-Q246 PolarHBondContact O-N 3.49Å |
| 243 | K | 88.6 | Confident | 90.5 | Very high | 148 Ų | 148 | 103.8 Ų | 103.8 | 64% | 0.643 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -56.4 | -46.6 | 175.8 | -73.3 | -171.2 | 176.6 | -168.5 | 0 | 111.1 | A239 Q240 R245 Q246 L247 | A239-K243 PolarHBondContact O-N 3.41Å; Q240-K243 PolarHBondContact O-N 2.75Å; K243-R245 PolarHBondContact O-N 3.14Å; K243-Q246 PolarHBondContact O-N 2.9Å; K243-L247 WeakPolarHBondContact O-CG 3.34Å; K243-L247 PolarHBondContact O-N 3.39Å |
| 244 | Q | 87.1 | Confident | 90.3 | Very high | 99 Ų | 99 | 95.6 Ų | 95.6 | 46% | 0.463 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 178.8 | -166.3 | -179.7 | 13.8 | 0 | 0 | 112.6 | Q240 R242 L247 K248 | Q240-Q244 PolarHBondContact O-N 2.82Å; R242-Q244 VanDerWaalsContact C-N 3.33Å; R242-Q244 PolarHBondContact O-N 2.94Å; Q244-L247 PolarHBondContact O-N 3.45Å; Q244-K248 WeakPolarHBondContact O-CG 3.32Å; Q244-K248 PolarHBondContact O-N 2.94Å |
| 245 | R | 89.6 | Confident | 90.2 | Very high | 184 Ų | 184 | 92.1 Ų | 92.1 | 69% | 0.694 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.3 | -41.8 | 174.7 | -74.8 | 175.3 | -176.7 | -159.3 | -0.7 | 111.9 | S241 R242 K243 K248 A249 | S241-R245 VanDerWaalsContact O-CG 3.28Å; S241-R245 WeakPolarHBondContact O-CG 3.31Å; S241-R245 PolarHBondContact O-N 3.03Å; R242-R245 PolarHBondContact O-N 3.26Å; K243-R245 PolarHBondContact O-N 3.14Å; R245-K248 PolarHBondContact O-N 3.22Å; R245-A249 WeakPolarHBondContact O-CB 3.49Å; R245-A249 PolarHBondContact O-N 3.15Å |
| 246 | Q | 90.3 | Very high | 90 | Very high | 107 Ų | 107 | 87.9 Ų | 87.9 | 50% | 0.5 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.8 | -50.5 | 177 | -174.1 | 57.7 | 40 | 0 | 0 | 110.8 | R242 K243 K248 A249 D250 | R242-Q246 PolarHBondContact O-N 3.49Å; K243-Q246 PolarHBondContact O-N 2.9Å; Q246-K248 VanDerWaalsContact C-N 3.32Å; Q246-K248 PolarHBondContact O-N 3.01Å; Q246-A249 WeakPolarHBondContact O-CB 3.29Å; Q246-A249 PolarHBondContact O-N 3.25Å; Q246-D250 PolarHBondContact NE2-OD1 2.9Å; Q246-D250 VanDerWaalsContact NE2-OD1 3.15Å; Q246-D250 PolarHBondContact NE2-OD2 3.35Å; Q246-D250 PolarHBondContact O-N 3.28Å |
| 247 | L | 88.1 | Confident | 90 | Very high | 50 Ų | 50 | 90.4 Ų | 90.4 | 26% | 0.262 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.6 | -40.6 | 177.2 | -67.8 | 176.2 | 0 | 0 | 0 | 112.9 | K243 Q244 D250 A251 V329 | K243-L247 WeakPolarHBondContact O-CG 3.34Å; K243-L247 PolarHBondContact O-N 3.39Å; Q244-L247 PolarHBondContact O-N 3.45Å; L247-D250 PolarHBondContact O-N 2.8Å; L247-A251 VanDerWaalsContact O-CB 3.31Å; L247-A251 WeakPolarHBondContact O-CB 3.4Å; L247-A251 PolarHBondContact O-N 3.11Å; L247-V329 HydrophobicContact CD2-CG1 3.37Å; L247-V329 HydrophobicContact CD2-CG2 4.38Å |
| 248 | K | 88.9 | Confident | 89.9 | Confident | 88 Ų | 88 | 88.5 Ų | 88.5 | 38% | 0.383 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 175.3 | -74.8 | -168 | 175.8 | -156 | 0 | 112.2 | Q244 R245 Q246 K252 E310 | Q244-K248 WeakPolarHBondContact O-CG 3.32Å; Q244-K248 PolarHBondContact O-N 2.94Å; R245-K248 PolarHBondContact O-N 3.22Å; Q246-K248 VanDerWaalsContact C-N 3.32Å; Q246-K248 PolarHBondContact O-N 3.01Å; K248-K252 WeakPolarHBondContact O-CB 3.34Å; K248-K252 PolarHBondContact O-N 3.32Å; K248-E310 WeakPolarHBondContact CE-OE2 3.5Å; K248-E310 IonicContact NZ-OE2 2.78Å; K248-E310 PolarHBondContact NZ-OE2 3.14Å |
| 249 | A | 90.6 | Very high | 90 | Very high | 52 Ų | 52 | 88 Ų | 88 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R245 Q246 K252 K253 | R245-A249 WeakPolarHBondContact O-CB 3.49Å; R245-A249 PolarHBondContact O-N 3.15Å; Q246-A249 WeakPolarHBondContact O-CB 3.29Å; Q246-A249 PolarHBondContact O-N 3.25Å; A249-K252 PolarHBondContact O-N 3.18Å; A249-K253 PolarHBondContact O-N 3.04Å |
| 250 | D | 89.7 | Confident | 90.1 | Very high | 39 Ų | 39 | 89.8 Ų | 89.8 | 21% | 0.209 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 178.1 | -65.3 | -32.1 | 0 | 0 | 0 | 111.5 | Q246 L247 K252 K253 A254 | Q246-D250 PolarHBondContact NE2-OD1 2.9Å; Q246-D250 VanDerWaalsContact NE2-OD1 3.15Å; Q246-D250 PolarHBondContact NE2-OD2 3.35Å; Q246-D250 PolarHBondContact O-N 3.28Å; L247-D250 PolarHBondContact O-N 2.8Å; D250-K252 PolarHBondContact O-N 3.15Å; D250-K253 PolarHBondContact O-N 3.3Å; D250-A254 WeakPolarHBondContact O-CB 3.37Å; D250-A254 PolarHBondContact O-N 2.91Å |
| 251 | A | 90 | Very high | 90.2 | Very high | 0 Ų | 0 | 88.3 Ų | 88.3 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -57.8 | -47.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L247 K253 A254 I255 R312 | L247-A251 VanDerWaalsContact O-CB 3.31Å; L247-A251 WeakPolarHBondContact O-CB 3.4Å; L247-A251 PolarHBondContact O-N 3.11Å; A251-K253 VanDerWaalsContact C-N 3.31Å; A251-K253 PolarHBondContact O-N 3.28Å; A251-A254 PolarHBondContact O-N 3.19Å; A251-I255 WeakPolarHBondContact O-CB 3.4Å; A251-I255 WeakPolarHBondContact O-CD1 3.37Å; A251-I255 WeakPolarHBondContact O-CG1 3.4Å; A251-I255 PolarHBondContact O-N 2.72Å; A251-R312 HydrophobicContact CB-CG 4.01Å |
| 252 | K | 91.5 | Very high | 90.3 | Very high | 152 Ų | 152 | 89.2 Ų | 89.2 | 66% | 0.661 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.2 | -41.6 | 177.2 | -172.2 | 178.3 | -179.4 | -178.7 | 0 | 112.1 | K248 A249 D250 G256 L309 | K248-K252 WeakPolarHBondContact O-CB 3.34Å; K248-K252 PolarHBondContact O-N 3.32Å; A249-K252 PolarHBondContact O-N 3.18Å; D250-K252 PolarHBondContact O-N 3.15Å; K252-G256 PolarHBondContact O-N 3.45Å; K252-L309 HydrophobicContact CB-CD2 3.88Å; K252-L309 HydrophobicContact CG-CD2 4.44Å |
| 253 | K | 90.6 | Very high | 90.3 | Very high | 129 Ų | 129 | 80.1 Ų | 80.1 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.5 | -43.4 | 177.1 | -174.3 | 178.4 | 178.5 | -178.5 | 0 | 111.9 | A249 D250 A251 G256 R257 | A249-K253 PolarHBondContact O-N 3.04Å; D250-K253 PolarHBondContact O-N 3.3Å; A251-K253 VanDerWaalsContact C-N 3.31Å; A251-K253 PolarHBondContact O-N 3.28Å; K253-G256 PolarHBondContact O-N 2.78Å; K253-R257 PolarHBondContact O-N 2.97Å |
| 254 | A | 89.7 | Confident | 90.2 | Very high | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D250 A251 G256 R257 L258 I321 L322 L325 I327 | D250-A254 WeakPolarHBondContact O-CB 3.37Å; D250-A254 PolarHBondContact O-N 2.91Å; A251-A254 PolarHBondContact O-N 3.19Å; A254-G256 PolarHBondContact O-N 2.84Å; A254-R257 WeakPolarHBondContact O-CB 3.29Å; A254-R257 PolarHBondContact O-N 2.81Å; A254-L258 PolarHBondContact O-N 2.84Å; A254-I321 HydrophobicContact CB-CD1 4.34Å; A254-L322 HydrophobicContact CB-CD2 3.45Å; A254-L322 VanDerWaalsContact CB-CD2 3.45Å; A254-L325 HydrophobicContact CB-CD1 3.71Å; A254-I327 HydrophobicContact CB-CD1 4.35Å |
| 255 | I | 91.3 | Very high | 89.9 | Confident | 11 Ų | 11 | 83 Ų | 83 | 6% | 0.056 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -56.7 | -38 | 175.3 | -70.9 | 166.3 | 0 | 0 | 0 | 111.3 | A251 R257 L258 R291 L308 L309 I321 | A251-I255 WeakPolarHBondContact O-CB 3.4Å; A251-I255 WeakPolarHBondContact O-CD1 3.37Å; A251-I255 WeakPolarHBondContact O-CG1 3.4Å; A251-I255 PolarHBondContact O-N 2.72Å; I255-R257 PolarHBondContact O-N 2.97Å; I255-L258 WeakPolarHBondContact O-CB 3.39Å; I255-L258 PolarHBondContact O-N 2.86Å; I255-R291 PolarHBondContact O-NH2 3.39Å; I255-L308 HydrophobicContact CD1-CB 3.47Å; I255-L308 VanDerWaalsContact CD1-CB 3.47Å; I255-L308 HydrophobicContact CG1-CB 3.77Å; I255-L308 HydrophobicContact CG1-CD1 4.1Å; I255-L309 HydrophobicContact CD1-CD2 3.76Å; I255-L309 HydrophobicContact CD1-CG 3.76Å; I255-I321 HydrophobicContact CG1-CD1 3.65Å |
| 256 | G | 89.2 | Confident | 89.2 | Confident | 59 Ų | 59 | 77.7 Ų | 77.7 | 61% | 0.608 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66 | -19.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | K252 K253 A254 | K252-G256 PolarHBondContact O-N 3.45Å; K253-G256 PolarHBondContact O-N 2.78Å; A254-G256 PolarHBondContact O-N 2.84Å |
| 257 | R | 89.2 | Confident | 88.9 | Confident | 146 Ų | 146 | 74 Ų | 74 | 55% | 0.551 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -90 | -12.5 | 176.4 | -65 | 177.9 | 174.2 | -178.3 | -5.4 | 113.4 | K253 A254 I255 | K253-R257 PolarHBondContact O-N 2.97Å; A254-R257 WeakPolarHBondContact O-CB 3.29Å; A254-R257 PolarHBondContact O-N 2.81Å; I255-R257 PolarHBondContact O-N 2.97Å |
| 258 | L | 90.7 | Very high | 88.5 | Confident | 13 Ų | 13 | 80.4 Ų | 80.4 | 7% | 0.068 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -70.5 | 146 | 179.6 | -64.4 | 174.8 | 0 | 0 | 0 | 110.8 | A254 I255 L260 R291 L293 T294 L308 I321 | A254-L258 PolarHBondContact O-N 2.84Å; I255-L258 WeakPolarHBondContact O-CB 3.39Å; I255-L258 PolarHBondContact O-N 2.86Å; L258-L260 PolarHBondContact O-N 2.74Å; L258-R291 HydrophobicContact CB-CG 4.08Å; L258-R291 HydrophobicContact CD1-CG 4.36Å; L258-L293 HydrophobicContact CD1-CD2 3.68Å; L258-T294 HydrophobicContact CD2-CG2 4Å; L258-L308 HydrophobicContact CD1-CD1 3.92Å; L258-I321 HydrophobicContact CD1-CD1 4.39Å |
| 259 | Q | 92.3 | Very high | 88 | Confident | 138 Ų | 138 | 77.7 Ų | 77.7 | 65% | 0.645 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 131.1 | -178.6 | -66.2 | -178.1 | 5 | 0 | 0 | 110.2 | R291 I292 | Q259-R291 WeakPolarHBondContact O-CA 3.09Å; Q259-I292 HydrophobicContact CB-CB 4.21Å; Q259-I292 PolarHBondContact O-N 2.92Å |
| 260 | L | 93.7 | Very high | 87.4 | Confident | 86 Ų | 86 | 77 Ų | 77 | 45% | 0.45 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 128.3 | 174.7 | -166 | 75.9 | 0 | 0 | 0 | 108.3 | L258 V290 R291 K301 | L258-L260 PolarHBondContact O-N 2.74Å; L260-V290 WeakPolarHBondContact CD1-O 3.46Å; L260-R291 HydrophobicContact CD1-CB 4.23Å; L260-K301 HydrophobicContact CD1-CB 3.93Å; L260-K301 HydrophobicContact CD1-CD 3.8Å; L260-K301 HydrophobicContact CD1-CG 3.85Å; L260-K301 HydrophobicContact CD2-CD 4.3Å |
| 261 | R | 92.7 | Very high | 86.6 | Confident | 113 Ų | 113 | 76.7 Ų | 76.7 | 43% | 0.426 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.3 | -179.5 | 179.1 | 179 | 174.7 | 168.6 | 1.5 | 109.3 | D267 V290 I292 | R261-D267 IonicContact CZ-OD1 3.56Å; R261-D267 IonicContact CZ-OD2 2.55Å; R261-D267 IonicContact NE-OD2 2.75Å; R261-D267 IonicContact NH2-OD1 2.85Å; R261-D267 PolarHBondContact NH2-OD1 3.14Å; R261-D267 IonicContact NH2-OD2 3.8Å; R261-D267 PolarHBondContact NH2-OD2 3.2Å; R261-V290 HydrophobicContact CB-CG2 4.16Å; R261-V290 PolarHBondContact N-O 3.41Å; R261-V290 WeakPolarHBondContact O-CG2 3.42Å; R261-V290 PolarHBondContact O-N 2.9Å; R261-I292 HydrophobicContact CB-CD1 4.41Å |
| 262 | T | 92.3 | Very high | 85.3 | Confident | 67 Ų | 67 | 83.3 Ų | 83.3 | 41% | 0.411 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 123.4 | 165.9 | -49.7 | 0 | 0 | 0 | 0 | 108.2 | N287 D288 L289 | T262-N287 HydrophobicContact CG2-CB 4.5Å; T262-D288 WeakPolarHBondContact CA-O 3.07Å; T262-L289 HydrophobicContact CG2-CD2 4.34Å; T262-L289 WeakPolarHBondContact OG1-CD2 3.3Å |
| 263 | L | 89.4 | Confident | 84.3 | Confident | 2 Ų | 2 | 83.7 Ų | 83.7 | 1% | 0.01 | 44% | 0.443 | C | S | . | . | trans | -72.5 | 135.6 | 179.9 | -64.8 | -179.3 | 0 | 0 | 0 | 110.9 | D267 E269 I270 Y284 N287 D288 V290 | L263-D267 WeakPolarHBondContact CA-OD2 3.33Å; L263-D267 HydrophobicContact CD2-CB 4.45Å; L263-E269 HydrophobicContact CD1-CB 4.35Å; L263-E269 HydrophobicContact CD2-CB 4.5Å; L263-E269 HydrophobicContact CD2-CG 4.37Å; L263-I270 HydrophobicContact CB-CD1 3.92Å; L263-I270 HydrophobicContact CB-CG1 4.41Å; L263-I270 HydrophobicContact CD1-CG1 4.44Å; L263-Y284 HydrophobicContact CD1-CD1 3.93Å; L263-Y284 HydrophobicContact CD1-CG 3.75Å; L263-N287 WeakPolarHBondContact O-CA 3.35Å; L263-N287 PolarHBondContact O-N 3.37Å; L263-D288 HydrophobicContact CD1-CB 4.4Å; L263-D288 PolarHBondContact N-O 2.78Å; L263-V290 HydrophobicContact CD1-CG1 3.72Å; L263-V290 HydrophobicContact CD1-CG2 4.3Å; L263-V290 HydrophobicContact CD2-CG2 3.83Å; L263-V290 HydrophobicContact CG-CG1 4.03Å; L263-V290 HydrophobicContact CG-CG2 3.84Å | ||
| 264 | K | 87.9 | Confident | 83.2 | Confident | 150 Ų | 150 | 78.2 Ų | 78.2 | 65% | 0.652 | 42% | 0.424 | S | S | * | . | trans | -108.7 | 152.8 | 177.8 | -65.6 | -177 | -178.5 | 179.6 | 0 | 110.7 | G266 D267 I270 | K264-G266 PolarHBondContact O-N 3.2Å; K264-G266 VanDerWaalsContact O-N 3.13Å; K264-D267 PolarHBondContact N-OD2 2.99Å; K264-D267 WeakPolarHBondContact O-CB 3.07Å; K264-D267 PolarHBondContact O-N 3Å; K264-I270 WeakPolarHBondContact O-CD1 3.43Å | ||
| 265 | Q | 80.2 | Confident | 82.7 | Confident | 158 Ų | 158 | 83.3 Ų | 83.3 | 74% | 0.738 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 119.2 | 174 | -168.7 | 74 | 39.8 | 0 | 0 | 110.1 | ||
| 266 | G | 76.1 | Confident | 82.6 | Confident | 72 Ų | 72 | 85.4 Ų | 85.4 | 74% | 0.742 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.8 | -1.6 | -176 | 0 | 0 | 0 | 0 | 0 | 115.3 | K264 | K264-G266 PolarHBondContact O-N 3.2Å; K264-G266 VanDerWaalsContact O-N 3.13Å |
| 267 | D | 82.8 | Confident | 82.8 | Confident | 29 Ų | 29 | 82.6 Ų | 82.6 | 16% | 0.155 | 44% | 0.438 | C | S | . | . | trans | -63.7 | 143.6 | 167.1 | -77.7 | -18.8 | 0 | 0 | 0 | 110.6 | R261 L263 K264 E269 I270 | R261-D267 IonicContact CZ-OD1 3.56Å; R261-D267 IonicContact CZ-OD2 2.55Å; R261-D267 IonicContact NE-OD2 2.75Å; R261-D267 IonicContact NH2-OD1 2.85Å; R261-D267 PolarHBondContact NH2-OD1 3.14Å; R261-D267 IonicContact NH2-OD2 3.8Å; R261-D267 PolarHBondContact NH2-OD2 3.2Å; L263-D267 WeakPolarHBondContact CA-OD2 3.33Å; L263-D267 HydrophobicContact CD2-CB 4.45Å; K264-D267 PolarHBondContact N-OD2 2.99Å; K264-D267 WeakPolarHBondContact O-CB 3.07Å; K264-D267 PolarHBondContact O-N 3Å; D267-E269 PolarHBondContact O-N 3.49Å; D267-I270 HydrophobicContact CB-CD1 4.25Å; D267-I270 HydrophobicContact CB-CG1 4.31Å; D267-I270 PolarHBondContact O-N 3.49Å | ||
| 268 | K | 79.9 | Confident | 82.9 | Confident | 184 Ų | 184 | 78.3 Ų | 78.3 | 80% | 0.8 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -51.3 | -32.9 | -177.7 | -169.2 | -176 | 176.4 | -166.8 | 0 | 113 | I270 | K268-I270 VanDerWaalsContact C-N 3.3Å; K268-I270 PolarHBondContact O-N 2.94Å |
| 269 | E | 79.4 | Confident | 82.9 | Confident | 32 Ų | 32 | 80.4 Ų | 80.4 | 15% | 0.15 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -75.2 | -11.2 | -177.3 | -42.6 | -49.4 | 149.8 | 0 | 0 | 114.4 | L263 D267 Y284 I298 | L263-E269 HydrophobicContact CD1-CB 4.35Å; L263-E269 HydrophobicContact CD2-CB 4.5Å; L263-E269 HydrophobicContact CD2-CG 4.37Å; D267-E269 PolarHBondContact O-N 3.49Å; E269-Y284 HydrophobicContact CB-CD2 3.99Å; E269-I298 HydrophobicContact CG-CD1 4.11Å |
| 270 | I | 77.7 | Confident | 83 | Confident | 36 Ų | 36 | 75.9 Ų | 75.9 | 19% | 0.185 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -104.9 | -3.2 | -177.4 | -45.8 | 178 | 0 | 0 | 0 | 111.7 | L263 K264 D267 K268 P286 | L263-I270 HydrophobicContact CB-CD1 3.92Å; L263-I270 HydrophobicContact CB-CG1 4.41Å; L263-I270 HydrophobicContact CD1-CG1 4.44Å; K264-I270 WeakPolarHBondContact O-CD1 3.43Å; D267-I270 HydrophobicContact CB-CD1 4.25Å; D267-I270 HydrophobicContact CB-CG1 4.31Å; D267-I270 PolarHBondContact O-N 3.49Å; K268-I270 VanDerWaalsContact C-N 3.3Å; K268-I270 PolarHBondContact O-N 2.94Å; I270-P286 HydrophobicContact CD1-CB 4.43Å; I270-P286 HydrophobicContact CD1-CG 4.27Å; I270-P286 HydrophobicContact CG2-CG 4.2Å |
| 271 | G | 71.9 | Confident | 82.9 | Confident | 33 Ų | 33 | 78.4 Ų | 78.4 | 34% | 0.34 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -67.6 | 171.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D273 G274 | G271-D273 PolarHBondContact O-N 3.36Å; G271-G274 WeakPolarHBondContact O-CA 3.48Å; G271-G274 PolarHBondContact O-N 3.02Å |
| 272 | P | 63.9 | Low | 82.8 | Confident | 139 Ų | 139 | 78.3 Ų | 78.3 | 90% | 0.903 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.2 | 175 | 24.6 | -32.4 | 0 | 0 | 0 | 113.5 | ||
| 273 | D | 68.9 | Low | 82.7 | Confident | 160 Ų | 160 | 80.6 Ų | 80.6 | 86% | 0.856 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 20.1 | 170.5 | -54.9 | -43.9 | 0 | 0 | 0 | 112.1 | G271 | G271-D273 PolarHBondContact O-N 3.36Š|
| 274 | G | 67.9 | Low | 82.8 | Confident | 15 Ų | 15 | 81 Ų | 81 | 16% | 0.155 | 46% | 0.457 | C | S | . | . | trans | -71 | 149.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113 | G271 | G271-G274 WeakPolarHBondContact O-CA 3.48Å; G271-G274 PolarHBondContact O-N 3.02Å | ||
| 275 | D | 79.9 | Confident | 82.8 | Confident | 107 Ų | 107 | 79.5 Ų | 79.5 | 57% | 0.572 | 45% | 0.451 | S | S | * | . | trans | -64.7 | 159.2 | 176.7 | -75.5 | -22 | 0 | 0 | 0 | 111.7 | Y284 | D275-Y284 HydrophobicContact CB-CE2 4.22Å; D275-Y284 WeakPolarHBondContact O-CD2 3.48Å; D275-Y284 WeakPolarHBondContact O-CE2 3.46Å | ||
| 276 | S | 89.1 | Confident | 83.1 | Confident | 55 Ų | 55 | 74.3 Ų | 74.3 | 39% | 0.385 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 155.3 | 172.4 | 59.8 | 0 | 0 | 0 | 0 | 110.7 | A278 E282 | S276-A278 PolarHBondContact O-N 3.2Å; S276-A278 VanDerWaalsContact O-N 3.17Å; S276-E282 WeakPolarHBondContact CA-O 3.4Å; S276-E282 WeakPolarHBondContact CB-O 3.43Å |
| 277 | C | 92.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 112.3 | 176.2 | -179.2 | 0 | 0 | 0 | 0 | 110 | V279 C280 I281 E282 Y284 H300 | C277-V279 PolarHBondContact O-N 3.36Å; C277-C280 VanDerWaalsContact CB-SG 3.56Å; C277-C280 PolarHBondContact O-N 2.92Å; C277-I281 WeakPolarHBondContact O-CA 3.42Å; C277-I281 PolarHBondContact O-N 3.03Å; C277-E282 PolarHBondContact N-O 2.87Å; C277-Y284 WeakPolarHBondContact CA-OH 3.35Å; C277-Y284 HydrophobicContact CB-CE1 3.83Å; C277-H300 VanDerWaalsContact CB-ND1 3.27Å; C277-H300 WeakPolarHBondContact CB-ND1 3.29Å; C277-H300 PolarHBondContact SG-N 3.34Å |
| 278 | A | 91.1 | Very high | 84.1 | Confident | 56 Ų | 56 | 77.1 Ų | 77.1 | 46% | 0.463 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -3.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S276 F299 M316 | S276-A278 PolarHBondContact O-N 3.2Å; S276-A278 VanDerWaalsContact O-N 3.17Å; A278-F299 HydrophobicContact CB-CE1 4.12Å; A278-M316 HydrophobicContact CB-CG 4.2Å; A278-M316 HydrophobicContact CB-SD 4.26Å |
| 279 | V | 91.9 | Very high | 84.8 | Confident | 56 Ų | 56 | 72.4 Ų | 72.4 | 34% | 0.339 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -44 | 176.2 | 179.8 | 0 | 0 | 0 | 0 | 111.9 | C277 F299 C303 P315 | C277-V279 PolarHBondContact O-N 3.36Å; V279-F299 HydrophobicContact CG2-CD1 3.8Å; V279-F299 HydrophobicContact CG2-CE1 4.2Å; V279-C303 HydrophobicContact CB-CB 3.87Å; V279-C303 HydrophobicContact CG1-CB 3.77Å; V279-P315 HydrophobicContact CG2-CB 4.28Å; V279-P315 HydrophobicContact CG2-CG 3.87Å |
| 280 | C | 92.9 | Very high | 85.5 | Confident | 44 Ų | 44 | 71 Ų | 71 | 30% | 0.297 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -9.5 | 177.1 | 60.5 | 0 | 0 | 0 | 0 | 113.7 | C277 E282 H300 | C277-C280 VanDerWaalsContact CB-SG 3.56Å; C277-C280 PolarHBondContact O-N 2.92Å; C280-E282 HydrophobicContact CB-CG 4.34Å; C280-E282 PolarHBondContact O-N 3.37Å; C280-H300 PolarHBondContact SG-ND1 3.24Å; C280-H300 VanDerWaalsContact SG-ND1 3.38Å |
| 281 | I | 91.7 | Very high | 86.3 | Confident | 139 Ų | 139 | 70 Ų | 70 | 71% | 0.713 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 20 | -179.5 | -40.5 | 174.3 | 0 | 0 | 0 | 112 | C277 | C277-I281 WeakPolarHBondContact O-CA 3.42Å; C277-I281 PolarHBondContact O-N 3.03Å |
| 282 | E | 91.3 | Very high | 87.3 | Confident | 110 Ų | 110 | 69.7 Ų | 69.7 | 51% | 0.514 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 142.5 | 177.6 | -62.2 | -170.6 | 179.1 | 0 | 0 | 111.6 | S276 C277 C280 | S276-E282 WeakPolarHBondContact CA-O 3.4Å; S276-E282 WeakPolarHBondContact CB-O 3.43Å; C277-E282 PolarHBondContact N-O 2.87Å; C280-E282 HydrophobicContact CB-CG 4.34Å; C280-E282 PolarHBondContact O-N 3.37Å |
| 283 | L | 90 | Very high | 88.8 | Confident | 116 Ų | 116 | 63.2 Ų | 63.2 | 61% | 0.607 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 143.8 | 170.3 | -70.1 | 168.4 | 0 | 0 | 0 | 110.6 | ||
| 284 | Y | 90.9 | Very high | 89.8 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 4% | 0.039 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 141.9 | 177.3 | -65.9 | -62.8 | 0 | 0 | 0 | 112.4 | L263 E269 D275 C277 V290 I298 F299 H300 | L263-Y284 HydrophobicContact CD1-CD1 3.93Å; L263-Y284 HydrophobicContact CD1-CG 3.75Å; E269-Y284 HydrophobicContact CB-CD2 3.99Å; D275-Y284 HydrophobicContact CB-CE2 4.22Å; D275-Y284 WeakPolarHBondContact O-CD2 3.48Å; D275-Y284 WeakPolarHBondContact O-CE2 3.46Å; C277-Y284 WeakPolarHBondContact CA-OH 3.35Å; C277-Y284 HydrophobicContact CB-CE1 3.83Å; Y284-V290 HydrophobicContact CD1-CG1 3.7Å; Y284-V290 HydrophobicContact CE1-CG1 3.62Å; Y284-I298 VanDerWaalsContact OH-C 3.26Å; Y284-I298 PolarHBondContact OH-O 3.47Å; Y284-F299 WeakPolarHBondContact OH-CA 3.5Å; Y284-H300 AromaticContact CD1-CE1 3.86Å; Y284-H300 AromaticContact CD1-NE2 3.58Å; Y284-H300 AromaticContact CE1-CE1 3.91Å; Y284-H300 AromaticContact CE1-NE2 3.92Å |
| 285 | K | 88.6 | Confident | 91 | Very high | 119 Ų | 119 | 59.2 Ų | 59.2 | 52% | 0.517 | 33% | 0.327 | S | S | . | . | trans | -116.1 | 156.3 | 179.1 | -65.2 | 172.5 | -171.8 | 163.5 | 0 | 111.3 | N287 D288 | K285-N287 PolarHBondContact O-N 3.01Å; K285-D288 PolarHBondContact N-OD2 3Å; K285-D288 VanDerWaalsContact O-CB 3.27Å; K285-D288 WeakPolarHBondContact O-CB 3.5Å; K285-D288 PolarHBondContact O-N 3.29Å; K285-D288 VanDerWaalsContact O-N 3.09Å | ||
| 286 | P | 86.8 | Confident | 91.6 | Very high | 48 Ų | 48 | 60.2 Ų | 60.2 | 31% | 0.312 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 137.9 | 170.2 | -19 | 29.6 | 0 | 0 | 0 | 110.5 | I270 D288 | I270-P286 HydrophobicContact CD1-CB 4.43Å; I270-P286 HydrophobicContact CD1-CG 4.27Å; I270-P286 HydrophobicContact CG2-CG 4.2Å; P286-D288 VanDerWaalsContact C-N 3.28Å; P286-D288 PolarHBondContact O-N 2.78Å |
| 287 | N | 89.4 | Confident | 91.8 | Very high | 125 Ų | 125 | 60.1 Ų | 60.1 | 67% | 0.668 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 7.2 | -174 | -53.6 | -47.2 | 0 | 0 | 0 | 116.3 | T262 L263 K285 L289 | T262-N287 HydrophobicContact CG2-CB 4.5Å; L263-N287 WeakPolarHBondContact O-CA 3.35Å; L263-N287 PolarHBondContact O-N 3.37Å; K285-N287 PolarHBondContact O-N 3.01Å; N287-L289 PolarHBondContact O-N 3.41Å |
| 288 | D | 91.3 | Very high | 91.8 | Very high | 36 Ų | 36 | 61.8 Ų | 61.8 | 19% | 0.193 | 33% | 0.334 | C | S | . | . | trans | -64.5 | 135.1 | 170.9 | -80.1 | -7.8 | 0 | 0 | 0 | 111.1 | T262 L263 K285 P286 V290 H300 | T262-D288 WeakPolarHBondContact CA-O 3.07Å; L263-D288 HydrophobicContact CD1-CB 4.4Å; L263-D288 PolarHBondContact N-O 2.78Å; K285-D288 PolarHBondContact N-OD2 3Å; K285-D288 VanDerWaalsContact O-CB 3.27Å; K285-D288 WeakPolarHBondContact O-CB 3.5Å; K285-D288 PolarHBondContact O-N 3.29Å; K285-D288 VanDerWaalsContact O-N 3.09Å; P286-D288 VanDerWaalsContact C-N 3.28Å; P286-D288 PolarHBondContact O-N 2.78Å; D288-V290 HydrophobicContact CB-CG1 4.4Å; D288-V290 PolarHBondContact O-N 3.44Å; D288-H300 IonicContact OD2-CD2 3.47Å; D288-H300 IonicContact OD2-CE1 2.78Å; D288-H300 IonicContact OD2-NE2 3.77Å; D288-H300 PolarHBondContact OD2-NE2 3.08Å | ||
| 289 | L | 93.7 | Very high | 92 | Very high | 85 Ų | 85 | 59.1 Ų | 59.1 | 45% | 0.445 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 106.1 | 171.8 | -71.2 | 176.5 | 0 | 0 | 0 | 109.5 | T262 N287 K301 | T262-L289 HydrophobicContact CG2-CD2 4.34Å; T262-L289 WeakPolarHBondContact OG1-CD2 3.3Å; N287-L289 PolarHBondContact O-N 3.41Å; L289-K301 HydrophobicContact CB-CB 4.4Å; L289-K301 WeakPolarHBondContact O-CB 3.41Å; L289-K301 PolarHBondContact O-N 2.95Å |
| 290 | V | 94 | Very high | 92.2 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 147.2 | 178.5 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | L260 R261 L263 Y284 D288 I298 F299 | L260-V290 WeakPolarHBondContact CD1-O 3.46Å; R261-V290 HydrophobicContact CB-CG2 4.16Å; R261-V290 PolarHBondContact N-O 3.41Å; R261-V290 WeakPolarHBondContact O-CG2 3.42Å; R261-V290 PolarHBondContact O-N 2.9Å; L263-V290 HydrophobicContact CD1-CG1 3.72Å; L263-V290 HydrophobicContact CD1-CG2 4.3Å; L263-V290 HydrophobicContact CD2-CG2 3.83Å; L263-V290 HydrophobicContact CG-CG1 4.03Å; L263-V290 HydrophobicContact CG-CG2 3.84Å; Y284-V290 HydrophobicContact CD1-CG1 3.7Å; Y284-V290 HydrophobicContact CE1-CG1 3.62Å; D288-V290 HydrophobicContact CB-CG1 4.4Å; D288-V290 PolarHBondContact O-N 3.44Å; V290-I298 HydrophobicContact CB-CG2 3.65Å; V290-I298 HydrophobicContact CG1-CG2 4.17Å; V290-I298 HydrophobicContact CG2-CG2 3.73Å; V290-F299 CarbonylContact C-O 3.47Å; V290-F299 WeakPolarHBondContact CA-O 3.43Å; V290-F299 WeakPolarHBondContact CB-O 3.4Å |
| 291 | R | 94.8 | Very high | 92.3 | Very high | 17 Ų | 17 | 58.5 Ų | 58.5 | 6% | 0.064 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.3 | 175.5 | 176.2 | 156.8 | -79.5 | 165 | -4 | 109 | I255 L258 Q259 L260 L293 F299 V304 D305 | I255-R291 PolarHBondContact O-NH2 3.39Å; L258-R291 HydrophobicContact CB-CG 4.08Å; L258-R291 HydrophobicContact CD1-CG 4.36Å; Q259-R291 WeakPolarHBondContact O-CA 3.09Å; L260-R291 HydrophobicContact CD1-CB 4.23Å; R291-L293 HydrophobicContact CG-CD2 4.21Å; R291-F299 PolarHBondContact N-O 2.96Å; R291-F299 PolarHBondContact O-N 3.19Å; R291-F299 VanDerWaalsContact O-N 3.08Å; R291-V304 HydrophobicContact CB-CG1 3.89Å; R291-V304 HydrophobicContact CG-CG1 4.15Å; R291-D305 WeakPolarHBondContact CD-OD1 3.42Å; R291-D305 IonicContact CZ-OD1 3.89Å; R291-D305 IonicContact CZ-OD2 3.57Å; R291-D305 IonicContact NE-OD1 3.46Å; R291-D305 IonicContact NH1-OD1 2.87Å; R291-D305 PolarHBondContact NH1-OD1 2.76Å; R291-D305 IonicContact NH1-OD2 2.62Å; R291-D305 PolarHBondContact NH1-OD2 3.02Å |
| 292 | I | 93.5 | Very high | 92.5 | Very high | 25 Ų | 25 | 57.2 Ų | 57.2 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 120.6 | 179 | -48.8 | 176.5 | 0 | 0 | 0 | 107.3 | Q259 R261 I298 | Q259-I292 HydrophobicContact CB-CB 4.21Å; Q259-I292 PolarHBondContact O-N 2.92Å; R261-I292 HydrophobicContact CB-CD1 4.41Å; I292-I298 HydrophobicContact CG1-CG1 4.25Å; I292-I298 HydrophobicContact CG2-CG1 4.48Å |
| 293 | L | 93.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | trans | -79.2 | 168.1 | 179.1 | -54.2 | -169.2 | 0 | 0 | 0 | 111.2 | L258 R291 C295 N296 H297 F299 V304 L308 C314 | L258-L293 HydrophobicContact CD1-CD2 3.68Å; R291-L293 HydrophobicContact CG-CD2 4.21Å; L293-C295 PolarHBondContact O-N 2.83Å; L293-C295 VanDerWaalsContact O-N 3.14Å; L293-N296 WeakPolarHBondContact O-CA 3.27Å; L293-N296 PolarHBondContact O-N 2.89Å; L293-H297 PolarHBondContact N-O 2.81Å; L293-F299 HydrophobicContact CD1-CD2 4.15Å; L293-F299 HydrophobicContact CD1-CE2 3.73Å; L293-F299 HydrophobicContact CG-CD2 4.2Å; L293-F299 HydrophobicContact CG-CE2 4.13Å; L293-V304 HydrophobicContact CD2-CG2 4.41Å; L293-L308 HydrophobicContact CD1-CD2 4.47Å; L293-L308 HydrophobicContact CD2-CD1 3.71Å; L293-C314 HydrophobicContact CD1-CB 3.7Å | ||
| 294 | T | 91.2 | Very high | 92.8 | Very high | 57 Ų | 57 | 48 Ų | 48 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.3 | 175.8 | 49 | 0 | 0 | 0 | 0 | 114.1 | L258 N296 A324 L325 | L258-T294 HydrophobicContact CD2-CG2 4Å; T294-N296 VanDerWaalsContact C-N 3.34Å; T294-A324 HydrophobicContact CG2-CB 4.16Å; T294-A324 VanDerWaalsContact OG1-CB 3.29Å; T294-A324 WeakPolarHBondContact OG1-CB 3.43Å; T294-L325 HydrophobicContact CG2-CD2 3.93Å; T294-L325 HydrophobicContact CG2-CG 4.16Å |
| 295 | C | 92.8 | Very high | 93 | Very high | 34 Ų | 34 | 48.6 Ų | 48.6 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 9.9 | 171.9 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | L293 H297 C317 C319 | L293-C295 PolarHBondContact O-N 2.83Å; L293-C295 VanDerWaalsContact O-N 3.14Å; C295-H297 PolarHBondContact O-N 3.11Å; C295-H297 PolarHBondContact SG-ND1 3.16Å; C295-H297 VanDerWaalsContact SG-ND1 3.38Å; C295-C317 PolarHBondContact SG-SG 2.93Å; C295-C319 HydrophobicContact CB-CB 4.21Å |
| 296 | N | 91.6 | Very high | 93.2 | Very high | 128 Ų | 128 | 46.7 Ų | 46.7 | 68% | 0.684 | 26% | 0.259 | S | S | * | . | trans | 66.9 | 2.1 | -179.2 | -56.8 | -36.3 | 0 | 0 | 0 | 117 | L293 T294 | L293-N296 WeakPolarHBondContact O-CA 3.27Å; L293-N296 PolarHBondContact O-N 2.89Å; T294-N296 VanDerWaalsContact C-N 3.34Å | ||
| 297 | H | 93.4 | Very high | 93.5 | Very high | 52 Ų | 52 | 49.2 Ų | 49.2 | 24% | 0.241 | 26% | 0.263 | C | S | . | . | trans | -68.2 | 139.9 | 169.7 | -66.1 | 114.4 | 0 | 0 | 0 | 111.6 | L293 C295 F299 C314 M316 C317 | L293-H297 PolarHBondContact N-O 2.81Å; C295-H297 PolarHBondContact O-N 3.11Å; C295-H297 PolarHBondContact SG-ND1 3.16Å; C295-H297 VanDerWaalsContact SG-ND1 3.38Å; H297-F299 HydrophobicContact CB-CD2 4.48Å; H297-F299 HydrophobicContact CB-CE2 3.51Å; H297-F299 HydrophobicContact CB-CZ 3.84Å; H297-C314 PolarHBondContact ND1-SG 3Å; H297-C314 VanDerWaalsContact ND1-SG 3.41Å; H297-M316 HydrophobicContact CB-SD 4.28Å; H297-M316 VanDerWaalsContact CD2-CE 3.48Å; H297-M316 WeakPolarHBondContact CD2-CE 3.3Å; H297-M316 PolarHBondContact CD2-SD 2.81Å; H297-C317 VanDerWaalsContact CE1-SG 3.57Å; H297-C317 PolarHBondContact ND1-SG 2.91Å | ||
| 298 | I | 93.5 | Very high | 93.7 | Very high | 36 Ų | 36 | 43.2 Ų | 43.2 | 19% | 0.185 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 137.2 | -174.3 | -50.9 | 179.5 | 0 | 0 | 0 | 108.9 | E269 Y284 V290 I292 | E269-I298 HydrophobicContact CG-CD1 4.11Å; Y284-I298 VanDerWaalsContact OH-C 3.26Å; Y284-I298 PolarHBondContact OH-O 3.47Å; V290-I298 HydrophobicContact CB-CG2 3.65Å; V290-I298 HydrophobicContact CG1-CG2 4.17Å; V290-I298 HydrophobicContact CG2-CG2 3.73Å; I292-I298 HydrophobicContact CG1-CG1 4.25Å; I292-I298 HydrophobicContact CG2-CG1 4.48Å |
| 299 | F | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 157.5 | 176.1 | -55.7 | -86 | 0 | 0 | 0 | 110.8 | A278 V279 Y284 V290 R291 L293 H297 K301 V304 P315 M316 | A278-F299 HydrophobicContact CB-CE1 4.12Å; V279-F299 HydrophobicContact CG2-CD1 3.8Å; V279-F299 HydrophobicContact CG2-CE1 4.2Å; Y284-F299 WeakPolarHBondContact OH-CA 3.5Å; V290-F299 CarbonylContact C-O 3.47Å; V290-F299 WeakPolarHBondContact CA-O 3.43Å; V290-F299 WeakPolarHBondContact CB-O 3.4Å; R291-F299 PolarHBondContact N-O 2.96Å; R291-F299 PolarHBondContact O-N 3.19Å; R291-F299 VanDerWaalsContact O-N 3.08Å; L293-F299 HydrophobicContact CD1-CD2 4.15Å; L293-F299 HydrophobicContact CD1-CE2 3.73Å; L293-F299 HydrophobicContact CG-CD2 4.2Å; L293-F299 HydrophobicContact CG-CE2 4.13Å; H297-F299 HydrophobicContact CB-CD2 4.48Å; H297-F299 HydrophobicContact CB-CE2 3.51Å; H297-F299 HydrophobicContact CB-CZ 3.84Å; F299-K301 PolarHBondContact O-N 2.82Å; F299-V304 HydrophobicContact CB-CB 3.61Å; F299-V304 HydrophobicContact CB-CG1 3.97Å; F299-V304 HydrophobicContact CB-CG2 4.04Å; F299-V304 HydrophobicContact CD2-CB 4.31Å; F299-V304 HydrophobicContact CD2-CG2 3.78Å; F299-V304 HydrophobicContact CE2-CG2 4.46Å; F299-V304 HydrophobicContact CG-CB 4.07Å; F299-V304 HydrophobicContact CG-CG2 3.94Å; F299-P315 HydrophobicContact CE1-CB 4.23Å; F299-P315 HydrophobicContact CE1-CG 4.1Å; F299-P315 HydrophobicContact CZ-CB 4.28Å; F299-P315 HydrophobicContact CZ-CG 4.07Å; F299-M316 HydrophobicContact CE1-CG 4.11Å; F299-M316 HydrophobicContact CE1-SD 4.13Å; F299-M316 HydrophobicContact CZ-CB 4.47Å; F299-M316 HydrophobicContact CZ-CG 3.82Å; F299-M316 HydrophobicContact CZ-SD 3.88Å |
| 300 | H | 96.1 | Very high | 93.4 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 135.8 | 166 | -64.7 | 111.7 | 0 | 0 | 0 | 110.5 | C277 C280 Y284 D288 T302 C303 V304 | C277-H300 VanDerWaalsContact CB-ND1 3.27Å; C277-H300 WeakPolarHBondContact CB-ND1 3.29Å; C277-H300 PolarHBondContact SG-N 3.34Å; C280-H300 PolarHBondContact SG-ND1 3.24Å; C280-H300 VanDerWaalsContact SG-ND1 3.38Å; Y284-H300 AromaticContact CD1-CE1 3.86Å; Y284-H300 AromaticContact CD1-NE2 3.58Å; Y284-H300 AromaticContact CE1-CE1 3.91Å; Y284-H300 AromaticContact CE1-NE2 3.92Å; D288-H300 IonicContact OD2-CD2 3.47Å; D288-H300 IonicContact OD2-CE1 2.78Å; D288-H300 IonicContact OD2-NE2 3.77Å; D288-H300 PolarHBondContact OD2-NE2 3.08Å; H300-T302 VanDerWaalsContact C-N 3.27Å; H300-T302 PolarHBondContact O-N 3.01Å; H300-C303 HydrophobicContact CB-CB 4.03Å; H300-C303 PolarHBondContact O-N 2.62Å; H300-V304 PolarHBondContact O-N 2.83Å |
| 301 | K | 94.4 | Very high | 93.2 | Very high | 70 Ų | 70 | 50 Ų | 50 | 30% | 0.304 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -54.3 | -44.9 | 178.2 | -178.1 | -164.1 | 174.3 | -56.4 | 0 | 111.6 | L260 L289 F299 C303 D305 | L260-K301 HydrophobicContact CD1-CB 3.93Å; L260-K301 HydrophobicContact CD1-CD 3.8Å; L260-K301 HydrophobicContact CD1-CG 3.85Å; L260-K301 HydrophobicContact CD2-CD 4.3Å; L289-K301 HydrophobicContact CB-CB 4.4Å; L289-K301 WeakPolarHBondContact O-CB 3.41Å; L289-K301 PolarHBondContact O-N 2.95Å; F299-K301 PolarHBondContact O-N 2.82Å; K301-C303 PolarHBondContact O-N 3.28Å; K301-D305 WeakPolarHBondContact CG-OD2 3.26Å; K301-D305 IonicContact NZ-OD2 3.95Å; K301-D305 PolarHBondContact NZ-OD2 2.91Å; K301-D305 VanDerWaalsContact O-CB 3.28Å; K301-D305 WeakPolarHBondContact O-CB 3.43Å; K301-D305 PolarHBondContact O-N 3.06Å; K301-D305 VanDerWaalsContact O-N 3.14Å |
| 302 | T | 94.8 | Very high | 93.1 | Very high | 113 Ų | 113 | 51.9 Ų | 51.9 | 69% | 0.693 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -64.5 | -29.1 | -179.9 | 45.6 | 0 | 0 | 0 | 0 | 112.9 | H300 P306 | H300-T302 VanDerWaalsContact C-N 3.27Å; H300-T302 PolarHBondContact O-N 3.01Å; T302-P306 VanDerWaalsContact O-CD 3.27Å; T302-P306 WeakPolarHBondContact O-CD 3.47Å |
| 303 | C | 93.9 | Very high | 93.1 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -84.1 | -43.4 | -178.8 | -61.8 | 0 | 0 | 0 | 0 | 112.2 | V279 H300 K301 | V279-C303 HydrophobicContact CB-CB 3.87Å; V279-C303 HydrophobicContact CG1-CB 3.77Å; H300-C303 HydrophobicContact CB-CB 4.03Å; H300-C303 PolarHBondContact O-N 2.62Å; K301-C303 PolarHBondContact O-N 3.28Å |
| 304 | V | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -86.9 | -26.1 | -172.7 | 77.9 | 0 | 0 | 0 | 0 | 113.7 | R291 L293 F299 H300 W307 L308 P315 | R291-V304 HydrophobicContact CB-CG1 3.89Å; R291-V304 HydrophobicContact CG-CG1 4.15Å; L293-V304 HydrophobicContact CD2-CG2 4.41Å; F299-V304 HydrophobicContact CB-CB 3.61Å; F299-V304 HydrophobicContact CB-CG1 3.97Å; F299-V304 HydrophobicContact CB-CG2 4.04Å; F299-V304 HydrophobicContact CD2-CB 4.31Å; F299-V304 HydrophobicContact CD2-CG2 3.78Å; F299-V304 HydrophobicContact CE2-CG2 4.46Å; F299-V304 HydrophobicContact CG-CB 4.07Å; F299-V304 HydrophobicContact CG-CG2 3.94Å; H300-V304 PolarHBondContact O-N 2.83Å; V304-W307 WeakPolarHBondContact O-CB 3.48Å; V304-W307 PolarHBondContact O-N 2.67Å; V304-L308 HydrophobicContact CG1-CD1 4.41Å; V304-L308 HydrophobicContact CG2-CD1 3.9Å; V304-L308 HydrophobicContact CG2-CG 3.96Å; V304-L308 VanDerWaalsContact O-CG 3.3Å; V304-L308 WeakPolarHBondContact O-CG 3.17Å; V304-L308 PolarHBondContact O-N 2.9Å; V304-P315 HydrophobicContact CG2-CG 4.46Å |
| 305 | D | 94.1 | Very high | 93.2 | Very high | 23 Ų | 23 | 51.4 Ų | 51.4 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -46.9 | -178 | -67.9 | 6.3 | 0 | 0 | 0 | 113.4 | R291 K301 W307 L308 L309 | R291-D305 WeakPolarHBondContact CD-OD1 3.42Å; R291-D305 IonicContact CZ-OD1 3.89Å; R291-D305 IonicContact CZ-OD2 3.57Å; R291-D305 IonicContact NE-OD1 3.46Å; R291-D305 IonicContact NH1-OD1 2.87Å; R291-D305 PolarHBondContact NH1-OD1 2.76Å; R291-D305 IonicContact NH1-OD2 2.62Å; R291-D305 PolarHBondContact NH1-OD2 3.02Å; K301-D305 WeakPolarHBondContact CG-OD2 3.26Å; K301-D305 IonicContact NZ-OD2 3.95Å; K301-D305 PolarHBondContact NZ-OD2 2.91Å; K301-D305 VanDerWaalsContact O-CB 3.28Å; K301-D305 WeakPolarHBondContact O-CB 3.43Å; K301-D305 PolarHBondContact O-N 3.06Å; K301-D305 VanDerWaalsContact O-N 3.14Å; D305-W307 VanDerWaalsContact C-N 3.31Å; D305-W307 PolarHBondContact O-N 3.33Å; D305-L308 PolarHBondContact O-N 2.87Å; D305-L309 WeakPolarHBondContact O-CG 3.14Å; D305-L309 PolarHBondContact O-N 3.46Å; D305-L309 VanDerWaalsContact O-N 3.16Å |
| 306 | P | 93.6 | Very high | 93.1 | Very high | 79 Ų | 79 | 55 Ų | 55 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 176.1 | -20.8 | 34.1 | 0 | 0 | 0 | 112.2 | T302 L309 E310 | T302-P306 VanDerWaalsContact O-CD 3.27Å; T302-P306 WeakPolarHBondContact O-CD 3.47Å; P306-L309 PolarHBondContact O-N 3.21Å; P306-E310 PolarHBondContact O-N 3.19Å |
| 307 | W | 93.3 | Very high | 93.1 | Very high | 101 Ų | 101 | 51.3 Ų | 51.3 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 177.3 | 179.1 | -84.1 | 0 | 0 | 0 | 111.6 | V304 D305 L309 E310 H311 T313 P315 | V304-W307 WeakPolarHBondContact O-CB 3.48Å; V304-W307 PolarHBondContact O-N 2.67Å; D305-W307 VanDerWaalsContact C-N 3.31Å; D305-W307 PolarHBondContact O-N 3.33Å; W307-L309 VanDerWaalsContact C-N 3.3Å; W307-L309 PolarHBondContact O-N 3.03Å; W307-E310 PolarHBondContact O-N 3.01Å; W307-H311 AromaticContact CD2-CD2 3.79Å; W307-H311 AromaticContact CE2-CD2 3.85Å; W307-H311 AromaticContact CE3-CD2 3.92Å; W307-H311 PolarHBondContact O-N 3.05Å; W307-T313 PolarHBondContact NE1-O 2.81Å; W307-P315 HydrophobicContact CD2-CG 4.21Å; W307-P315 HydrophobicContact CG-CG 4.07Å; W307-P315 HydrophobicContact CZ2-CB 4.48Å |
| 308 | L | 92.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.9 | -26.5 | -178.7 | -67 | 173.4 | 0 | 0 | 0 | 113.2 | I255 L258 L293 V304 D305 E310 R312 T313 I321 | I255-L308 HydrophobicContact CD1-CB 3.47Å; I255-L308 VanDerWaalsContact CD1-CB 3.47Å; I255-L308 HydrophobicContact CG1-CB 3.77Å; I255-L308 HydrophobicContact CG1-CD1 4.1Å; L258-L308 HydrophobicContact CD1-CD1 3.92Å; L293-L308 HydrophobicContact CD1-CD2 4.47Å; L293-L308 HydrophobicContact CD2-CD1 3.71Å; V304-L308 HydrophobicContact CG1-CD1 4.41Å; V304-L308 HydrophobicContact CG2-CD1 3.9Å; V304-L308 HydrophobicContact CG2-CG 3.96Å; V304-L308 VanDerWaalsContact O-CG 3.3Å; V304-L308 WeakPolarHBondContact O-CG 3.17Å; V304-L308 PolarHBondContact O-N 2.9Å; D305-L308 PolarHBondContact O-N 2.87Å; L308-E310 VanDerWaalsContact C-N 3.31Å; L308-R312 VanDerWaalsContact O-CA 3.24Å; L308-R312 WeakPolarHBondContact O-CA 3.27Å; L308-R312 PolarHBondContact O-N 3Å; L308-R312 VanDerWaalsContact O-N 3.07Å; L308-T313 WeakPolarHBondContact CD2-O 3.42Å; L308-I321 HydrophobicContact CB-CD1 4.13Å; L308-I321 HydrophobicContact CD1-CD1 4.24Å; L308-I321 HydrophobicContact CD2-CD1 4.15Å; L308-I321 HydrophobicContact CD2-CG2 3.91Å; L308-I321 HydrophobicContact CG-CD1 4.4Å |
| 309 | L | 90.6 | Very high | 92.9 | Very high | 64 Ų | 64 | 58 Ų | 58 | 34% | 0.335 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70.4 | -26.9 | 174.7 | -75.4 | 171.7 | 0 | 0 | 0 | 113.2 | K252 I255 D305 P306 W307 | K252-L309 HydrophobicContact CB-CD2 3.88Å; K252-L309 HydrophobicContact CG-CD2 4.44Å; I255-L309 HydrophobicContact CD1-CD2 3.76Å; I255-L309 HydrophobicContact CD1-CG 3.76Å; D305-L309 WeakPolarHBondContact O-CG 3.14Å; D305-L309 PolarHBondContact O-N 3.46Å; D305-L309 VanDerWaalsContact O-N 3.16Å; P306-L309 PolarHBondContact O-N 3.21Å; W307-L309 VanDerWaalsContact C-N 3.3Å; W307-L309 PolarHBondContact O-N 3.03Å |
| 310 | E | 88.8 | Confident | 92.6 | Very high | 104 Ų | 104 | 59.6 Ų | 59.6 | 49% | 0.486 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -98.6 | -45.6 | -179.6 | -164 | 61.5 | -153.4 | 0 | 0 | 111.9 | K248 P306 W307 L308 | K248-E310 WeakPolarHBondContact CE-OE2 3.5Å; K248-E310 IonicContact NZ-OE2 2.78Å; K248-E310 PolarHBondContact NZ-OE2 3.14Å; P306-E310 PolarHBondContact O-N 3.19Å; W307-E310 PolarHBondContact O-N 3.01Å; L308-E310 VanDerWaalsContact C-N 3.31Å |
| 311 | H | 89.4 | Confident | 92.3 | Very high | 96 Ų | 96 | 58.9 Ų | 58.9 | 44% | 0.444 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -103.6 | -23.4 | -172.3 | -62.2 | -63.1 | 0 | 0 | 0 | 114.3 | W307 T313 | W307-H311 AromaticContact CD2-CD2 3.79Å; W307-H311 AromaticContact CE2-CD2 3.85Å; W307-H311 AromaticContact CE3-CD2 3.92Å; W307-H311 PolarHBondContact O-N 3.05Å; H311-T313 PolarHBondContact O-N 3.12Å |
| 312 | R | 91.8 | Very high | 91.9 | Very high | 56 Ų | 56 | 55.6 Ų | 55.6 | 21% | 0.211 | 29% | 0.29 | C | S | . | . | trans | 59.2 | 6.8 | -178.3 | -54.1 | 168.8 | -72.5 | 165.8 | 2.3 | 115.1 | A251 L308 D320 I321 L322 | A251-R312 HydrophobicContact CB-CG 4.01Å; L308-R312 VanDerWaalsContact O-CA 3.24Å; L308-R312 WeakPolarHBondContact O-CA 3.27Å; L308-R312 PolarHBondContact O-N 3Å; L308-R312 VanDerWaalsContact O-N 3.07Å; R312-D320 WeakPolarHBondContact O-CA 3.49Å; R312-I321 WeakPolarHBondContact O-CG1 3.48Å; R312-I321 PolarHBondContact O-N 3.28Å; R312-L322 HydrophobicContact CG-CD1 4.42Å | ||
| 313 | T | 93.8 | Very high | 91.4 | Very high | 36 Ų | 36 | 57.3 Ų | 57.3 | 22% | 0.221 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -116.9 | 149.8 | -175.5 | 52.5 | 0 | 0 | 0 | 0 | 111.3 | W307 L308 H311 K318 C319 D320 | W307-T313 PolarHBondContact NE1-O 2.81Å; L308-T313 WeakPolarHBondContact CD2-O 3.42Å; H311-T313 PolarHBondContact O-N 3.12Å; T313-K318 WeakPolarHBondContact CG2-O 3.13Å; T313-C319 CarbonylContact C-O 3.59Å; T313-C319 VanDerWaalsContact CA-O 3.31Å; T313-C319 WeakPolarHBondContact CA-O 3.42Å; T313-D320 HydrophobicContact CG2-CB 4.3Å |
| 314 | C | 93.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | trans | -60.7 | 130.5 | 171.2 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | L293 H297 M316 C317 K318 C319 | L293-C314 HydrophobicContact CD1-CB 3.7Å; H297-C314 PolarHBondContact ND1-SG 3Å; H297-C314 VanDerWaalsContact ND1-SG 3.41Å; C314-M316 PolarHBondContact O-N 3.41Å; C314-M316 VanDerWaalsContact O-N 3.16Å; C314-M316 PolarHBondContact SG-N 3.29Å; C314-M316 VanDerWaalsContact SG-N 3.37Å; C314-C317 VanDerWaalsContact CB-SG 3.52Å; C314-K318 VanDerWaalsContact O-CA 3.27Å; C314-K318 WeakPolarHBondContact O-CA 3.3Å; C314-K318 PolarHBondContact O-N 2.82Å; C314-C319 PolarHBondContact N-O 3.33Å | ||
| 315 | P | 93.8 | Very high | 89.9 | Confident | 40 Ų | 40 | 61.1 Ų | 61.1 | 26% | 0.26 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.8 | 175.5 | -24.5 | 31.7 | 0 | 0 | 0 | 114.3 | V279 F299 V304 W307 | V279-P315 HydrophobicContact CG2-CB 4.28Å; V279-P315 HydrophobicContact CG2-CG 3.87Å; F299-P315 HydrophobicContact CE1-CB 4.23Å; F299-P315 HydrophobicContact CE1-CG 4.1Å; F299-P315 HydrophobicContact CZ-CB 4.28Å; F299-P315 HydrophobicContact CZ-CG 4.07Å; V304-P315 HydrophobicContact CG2-CG 4.46Å; W307-P315 HydrophobicContact CD2-CG 4.21Å; W307-P315 HydrophobicContact CG-CG 4.07Å; W307-P315 HydrophobicContact CZ2-CB 4.48Å |
| 316 | M | 91.7 | Very high | 88.9 | Confident | 109 Ų | 109 | 63 Ų | 63 | 54% | 0.537 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -53.1 | -176.3 | -70.2 | 180 | 65 | 0 | 0 | 113.1 | A278 H297 F299 C314 | A278-M316 HydrophobicContact CB-CG 4.2Å; A278-M316 HydrophobicContact CB-SD 4.26Å; H297-M316 HydrophobicContact CB-SD 4.28Å; H297-M316 VanDerWaalsContact CD2-CE 3.48Å; H297-M316 WeakPolarHBondContact CD2-CE 3.3Å; H297-M316 PolarHBondContact CD2-SD 2.81Å; F299-M316 HydrophobicContact CE1-CG 4.11Å; F299-M316 HydrophobicContact CE1-SD 4.13Å; F299-M316 HydrophobicContact CZ-CB 4.47Å; F299-M316 HydrophobicContact CZ-CG 3.82Å; F299-M316 HydrophobicContact CZ-SD 3.88Å; C314-M316 PolarHBondContact O-N 3.41Å; C314-M316 VanDerWaalsContact O-N 3.16Å; C314-M316 PolarHBondContact SG-N 3.29Å; C314-M316 VanDerWaalsContact SG-N 3.37Å |
| 317 | C | 91.8 | Very high | 88 | Confident | 51 Ų | 51 | 61.1 Ų | 61.1 | 35% | 0.345 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 0.4 | -172 | 62.1 | 0 | 0 | 0 | 0 | 114.8 | C295 H297 C314 C319 | C295-C317 PolarHBondContact SG-SG 2.93Å; H297-C317 VanDerWaalsContact CE1-SG 3.57Å; H297-C317 PolarHBondContact ND1-SG 2.91Å; C314-C317 VanDerWaalsContact CB-SG 3.52Å; C317-C319 PolarHBondContact O-N 2.8Å; C317-C319 PolarHBondContact SG-SG 2.91Å |
| 318 | K | 91.4 | Very high | 86.5 | Confident | 169 Ų | 169 | 65.4 Ų | 65.4 | 74% | 0.735 | 35% | 0.348 | S | S | * | . | trans | 60.1 | 10.9 | -178 | -54.5 | 179.5 | -179.3 | 177.8 | 0 | 115.5 | T313 C314 D320 | T313-K318 WeakPolarHBondContact CG2-O 3.13Å; C314-K318 VanDerWaalsContact O-CA 3.27Å; C314-K318 WeakPolarHBondContact O-CA 3.3Å; C314-K318 PolarHBondContact O-N 2.82Å; K318-D320 PolarHBondContact O-N 2.95Å | ||
| 319 | C | 90.6 | Very high | 84.9 | Confident | 58 Ų | 58 | 67.1 Ų | 67.1 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | trans | -59.1 | 126.9 | 173 | -66.3 | 0 | 0 | 0 | 0 | 110.8 | C295 T313 C314 C317 | C295-C319 HydrophobicContact CB-CB 4.21Å; T313-C319 CarbonylContact C-O 3.59Å; T313-C319 VanDerWaalsContact CA-O 3.31Å; T313-C319 WeakPolarHBondContact CA-O 3.42Å; C314-C319 PolarHBondContact N-O 3.33Å; C317-C319 PolarHBondContact O-N 2.8Å; C317-C319 PolarHBondContact SG-SG 2.91Å | ||
| 320 | D | 89.8 | Confident | 83.1 | Confident | 35 Ų | 35 | 71.9 Ų | 71.9 | 19% | 0.187 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -78.2 | 121.7 | 177.8 | -172.2 | -31.4 | 0 | 0 | 0 | 110.6 | R312 T313 K318 L322 K323 A324 | R312-D320 WeakPolarHBondContact O-CA 3.49Å; T313-D320 HydrophobicContact CG2-CB 4.3Å; K318-D320 PolarHBondContact O-N 2.95Å; D320-L322 VanDerWaalsContact C-N 3.29Å; D320-L322 PolarHBondContact O-N 2.94Å; D320-L322 WeakPolarHBondContact OD1-CB 3.37Å; D320-L322 PolarHBondContact OD1-N 2.82Å; D320-K323 HydrophobicContact CB-CB 4.19Å; D320-K323 HydrophobicContact CB-CD 4.22Å; D320-K323 HydrophobicContact CB-CG 4.1Å; D320-K323 PolarHBondContact O-N 3.36Å; D320-A324 WeakPolarHBondContact O-CB 3.25Å; D320-A324 PolarHBondContact O-N 2.93Å; D320-A324 VanDerWaalsContact O-N 3.08Å |
| 321 | I | 89.6 | Confident | 81.5 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.9 | -26.8 | -177.3 | 68.4 | 171.1 | 0 | 0 | 0 | 112.7 | A254 I255 L258 L308 R312 L325 | A254-I321 HydrophobicContact CB-CD1 4.34Å; I255-I321 HydrophobicContact CG1-CD1 3.65Å; L258-I321 HydrophobicContact CD1-CD1 4.39Å; L308-I321 HydrophobicContact CB-CD1 4.13Å; L308-I321 HydrophobicContact CD1-CD1 4.24Å; L308-I321 HydrophobicContact CD2-CD1 4.15Å; L308-I321 HydrophobicContact CD2-CG2 3.91Å; L308-I321 HydrophobicContact CG-CD1 4.4Å; R312-I321 WeakPolarHBondContact O-CG1 3.48Å; R312-I321 PolarHBondContact O-N 3.28Å; I321-L325 WeakPolarHBondContact O-CB 3.35Å; I321-L325 WeakPolarHBondContact O-CD1 3.48Å; I321-L325 VanDerWaalsContact O-CG 3.24Å; I321-L325 WeakPolarHBondContact O-CG 3.27Å; I321-L325 PolarHBondContact O-N 2.85Å |
| 322 | L | 86 | Confident | 79.5 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -72.9 | -45.7 | 178.4 | -64.9 | -174.7 | 0 | 0 | 0 | 110.5 | A254 R312 D320 L325 G326 I327 V329 | A254-L322 HydrophobicContact CB-CD2 3.45Å; A254-L322 VanDerWaalsContact CB-CD2 3.45Å; R312-L322 HydrophobicContact CG-CD1 4.42Å; D320-L322 VanDerWaalsContact C-N 3.29Å; D320-L322 PolarHBondContact O-N 2.94Å; D320-L322 WeakPolarHBondContact OD1-CB 3.37Å; D320-L322 PolarHBondContact OD1-N 2.82Å; L322-L325 PolarHBondContact O-N 2.75Å; L322-G326 PolarHBondContact O-N 3.27Å; L322-I327 HydrophobicContact CD2-CD1 4.17Å; L322-I327 PolarHBondContact O-N 3.25Å; L322-V329 HydrophobicContact CB-CG2 4.17Å; L322-V329 HydrophobicContact CD1-CG2 3.73Å |
| 323 | K | 83.1 | Confident | 77.1 | Confident | 149 Ų | 149 | 78.5 Ų | 78.5 | 65% | 0.648 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.7 | -44.8 | 175.6 | -66.5 | -172.4 | 178.9 | -175.1 | 0 | 111.4 | D320 L325 G326 | D320-K323 HydrophobicContact CB-CB 4.19Å; D320-K323 HydrophobicContact CB-CD 4.22Å; D320-K323 HydrophobicContact CB-CG 4.1Å; D320-K323 PolarHBondContact O-N 3.36Å; K323-L325 PolarHBondContact O-N 3.43Å; K323-G326 PolarHBondContact O-N 2.95Å; K323-G326 VanDerWaalsContact O-N 3.12Å |
| 324 | A | 78.9 | Confident | 74.8 | Confident | 57 Ų | 57 | 80.5 Ų | 80.5 | 47% | 0.471 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66 | -20.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | T294 D320 | T294-A324 HydrophobicContact CG2-CB 4.16Å; T294-A324 VanDerWaalsContact OG1-CB 3.29Å; T294-A324 WeakPolarHBondContact OG1-CB 3.43Å; D320-A324 WeakPolarHBondContact O-CB 3.25Å; D320-A324 PolarHBondContact O-N 2.93Å; D320-A324 VanDerWaalsContact O-N 3.08Å |
| 325 | L | 80 | Confident | 72 | Confident | 55 Ų | 55 | 84.9 Ų | 84.9 | 29% | 0.288 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 9.9 | 176.6 | -69.7 | 171 | 0 | 0 | 0 | 113.2 | A254 T294 I321 L322 K323 I327 | A254-L325 HydrophobicContact CB-CD1 3.71Å; T294-L325 HydrophobicContact CG2-CD2 3.93Å; T294-L325 HydrophobicContact CG2-CG 4.16Å; I321-L325 WeakPolarHBondContact O-CB 3.35Å; I321-L325 WeakPolarHBondContact O-CD1 3.48Å; I321-L325 VanDerWaalsContact O-CG 3.24Å; I321-L325 WeakPolarHBondContact O-CG 3.27Å; I321-L325 PolarHBondContact O-N 2.85Å; L322-L325 PolarHBondContact O-N 2.75Å; K323-L325 PolarHBondContact O-N 3.43Å; L325-I327 VanDerWaalsContact C-N 3.27Å; L325-I327 PolarHBondContact O-N 2.96Å |
| 326 | G | 72.5 | Confident | 69 | Low | 62 Ų | 62 | 89.5 Ų | 89.5 | 64% | 0.639 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 21.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L322 K323 E328 | L322-G326 PolarHBondContact O-N 3.27Å; K323-G326 PolarHBondContact O-N 2.95Å; K323-G326 VanDerWaalsContact O-N 3.12Å; G326-E328 PolarHBondContact O-N 3.2Å |
| 327 | I | 75.4 | Confident | 66.1 | Low | 39 Ų | 39 | 88.9 Ų | 88.9 | 20% | 0.2 | 52% | 0.519 | C | S | . | . | trans | -89.9 | 95.4 | 172.3 | -57.9 | 174 | 0 | 0 | 0 | 106.1 | A254 L322 L325 V329 | A254-I327 HydrophobicContact CB-CD1 4.35Å; L322-I327 HydrophobicContact CD2-CD1 4.17Å; L322-I327 PolarHBondContact O-N 3.25Å; L325-I327 VanDerWaalsContact C-N 3.27Å; L325-I327 PolarHBondContact O-N 2.96Å; I327-V329 HydrophobicContact CG2-CG2 4.37Å; I327-V329 PolarHBondContact O-N 2.88Å | ||
| 328 | E | 60.3 | Low | 63.5 | Low | 192 Ų | 192 | 93.9 Ų | 93.9 | 90% | 0.897 | 54% | 0.541 | S | S | * | . | trans | -67.3 | 104.9 | 177 | -57.9 | -155.2 | -168.5 | 0 | 0 | 109.1 | G326 | G326-E328 PolarHBondContact O-N 3.2Š| ||
| 329 | V | 60.7 | Low | 60.7 | Low | 35 Ų | 35 | 94 Ų | 94 | 21% | 0.212 | 55% | 0.545 | C | S | . | . | trans | -93.3 | 112.2 | 169.4 | -171.8 | 0 | 0 | 0 | 0 | 106 | L247 L322 I327 V331 | L247-V329 HydrophobicContact CD2-CG1 3.37Å; L247-V329 HydrophobicContact CD2-CG2 4.38Å; L322-V329 HydrophobicContact CB-CG2 4.17Å; L322-V329 HydrophobicContact CD1-CG2 3.73Å; I327-V329 HydrophobicContact CG2-CG2 4.37Å; I327-V329 PolarHBondContact O-N 2.88Å; V329-V331 HydrophobicContact CB-CG2 4Å; V329-V331 HydrophobicContact CG1-CG2 3.52Å; V329-V331 PolarHBondContact O-N 3.1Å | ||
| 330 | D | 52.5 | Low | 58 | Low | 165 Ų | 165 | 97 Ų | 97 | 88% | 0.882 | 56% | 0.561 | S | S | * | * | trans | -68.5 | 83.7 | 172.8 | -140.2 | 5.5 | 0 | 0 | 0 | 108.3 | ||||
| 331 | V | 55.1 | Low | 55.3 | Low | 76 Ų | 76 | 100.8 Ų | 100.8 | 46% | 0.461 | 59% | 0.587 | S | S | . | * | trans | -94.8 | 96.3 | 175.7 | -176.1 | 0 | 0 | 0 | 0 | 106.4 | V329 D333 | V329-V331 HydrophobicContact CB-CG2 4Å; V329-V331 HydrophobicContact CG1-CG2 3.52Å; V329-V331 PolarHBondContact O-N 3.1Å; V331-D333 PolarHBondContact O-N 3.2Å | ||
| 332 | E | 47.3 | Very low | 52.6 | Low | 180 Ų | 180 | 106.7 Ų | 106.7 | 84% | 0.841 | 62% | 0.623 | S | S | * | * | trans | -60.3 | 106.3 | 159.1 | -73.9 | -171.2 | 154.4 | 0 | 0 | 107.6 | G334 | E332-G334 PolarHBondContact O-N 3.31Å; E332-G334 VanDerWaalsContact O-N 3.08Å | ||
| 333 | D | 41.8 | Very low | 50 | Low | 139 Ų | 139 | 112.1 Ų | 112.1 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | trans | -70.9 | 102 | -176.8 | -145.6 | 0.6 | 0 | 0 | 0 | 108.7 | V331 S335 | V331-D333 PolarHBondContact O-N 3.2Å; D333-S335 PolarHBondContact O-N 3.12Å | ||
| 334 | G | 44.6 | Very low | 47.5 | Very low | 77 Ų | 77 | 112 Ų | 112 | 79% | 0.794 | 67% | 0.667 | S | S | * | * | trans | -73 | 72.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E332 | E332-G334 PolarHBondContact O-N 3.31Å; E332-G334 VanDerWaalsContact O-N 3.08Å | ||
| 335 | S | 35.7 | Very low | 45.1 | Very low | 94 Ų | 94 | 118.4 Ų | 118.4 | 66% | 0.657 | 69% | 0.687 | S | S | * | * | trans | -117.7 | 86.1 | 158.1 | 74.9 | 0 | 0 | 0 | 0 | 109.1 | D333 S337 | D333-S335 PolarHBondContact O-N 3.12Å; S335-S337 PolarHBondContact O-N 2.74Å | ||
| 336 | V | 30.5 | Very low | 42.7 | Very low | 137 Ų | 137 | 121.9 Ų | 121.9 | 83% | 0.83 | 71% | 0.711 | S | S | * | * | trans | -80.1 | 100.3 | 169.1 | -178.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 337 | S | 29.8 | Very low | 40.7 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | trans | -78.2 | 116.6 | 158 | -173.3 | 0 | 0 | 0 | 0 | 107.6 | S335 Q339 | S335-S337 PolarHBondContact O-N 2.74Å; S337-Q339 PolarHBondContact O-N 3.37Å; S337-Q339 VanDerWaalsContact O-N 3.13Å | ||
| 338 | L | 37.3 | Very low | 38.5 | Very low | 155 Ų | 155 | 129 Ų | 129 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | trans | -66.5 | 103.7 | 170.2 | -94.8 | 154.5 | 0 | 0 | 0 | 108.8 | ||||
| 339 | Q | 32.9 | Very low | 37.1 | Very low | 173 Ų | 173 | 125.3 Ų | 125.3 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | trans | -132.1 | 109.3 | 157 | -68.5 | -171.4 | -2.2 | 0 | 0 | 108.6 | S337 | S337-Q339 PolarHBondContact O-N 3.37Å; S337-Q339 VanDerWaalsContact O-N 3.13Å | ||
| 340 | V | 34 | Very low | 35.6 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 129.2 | 169.4 | 174.4 | 0 | 0 | 0 | 0 | 107.6 | ||
| 341 | P | 34.5 | Very low | 34.5 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 120.2 | 155.9 | 5.8 | 14.6 | 0 | 0 | 0 | 109.3 | ||
| 342 | V | 32.3 | Very low | 33.3 | Very low | 125 Ų | 125 | 126.3 Ų | 126.3 | 76% | 0.758 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 130.9 | 159.3 | 165.5 | 0 | 0 | 0 | 0 | 107.7 | ||
| 343 | S | 30.8 | Very low | 32.6 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -140.9 | 100 | 159.8 | -55.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 344 | N | 30.5 | Very low | 32.3 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | -72.1 | 143.6 | 145.7 | -86.4 | -8.5 | 0 | 0 | 0 | 107.2 | ||||
| 345 | E | 29.7 | Very low | 31.8 | Very low | 192 Ų | 192 | 129.9 Ų | 129.9 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | 175.7 | 138.5 | 119.8 | -76.9 | -113.1 | 130.8 | 0 | 0 | 109.6 | |||||
| 346 | T | 29.2 | Very low | 31.7 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -89.4 | 151.1 | -174.5 | -43.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 347 | S | 30.1 | Very low | 31.9 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | 132.8 | 110.8 | 131 | -52.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 348 | N | 30.2 | Very low | 32.4 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | 85.2 | 133.9 | 122.4 | -79.6 | 2.4 | 0 | 0 | 0 | 125.3 | |||||
| 349 | S | 30.4 | Very low | 32.5 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | 94.7 | 133.9 | 147.8 | -32.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 350 | A | 28.5 | Very low | 32.9 | Very low | 88 Ų | 88 | 134.5 Ų | 134.5 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | cis | -164.8 | 159.2 | 10.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 351 | S | 29.1 | Very low | 33 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | 44.2 | 138.1 | 151.4 | 74.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 352 | S | 30.9 | Very low | 33.1 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | -177.1 | 146.8 | 68.3 | 35.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 353 | H | 32.3 | Very low | 33.3 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | 50.3 | 145.3 | 146.2 | -72.9 | -103.1 | 0 | 0 | 0 | 120.1 | ||||
| 354 | E | 34.4 | Very low | 33.7 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 67% | 0.673 | 77% | 0.767 | S | S | * | * | cis | -167.6 | 148.7 | 4.2 | -125.8 | 169.3 | -156.3 | 0 | 0 | 109.1 | ||||
| 355 | E | 35.7 | Very low | 33.9 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | 42.1 | 133.3 | 143.4 | -67.5 | -178.1 | 164.7 | 0 | 0 | 126.1 | ||||
| 356 | D | 33.8 | Very low | 34.2 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | 136.7 | 140.6 | 134.5 | -86.2 | -27.9 | 0 | 0 | 0 | 111.9 | ||||
| 357 | N | 34 | Very low | 34.4 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | cis | -176.5 | 156 | -11.9 | -169.4 | -16.1 | 0 | 0 | 0 | 105.2 | ||||
| 358 | R | 39.6 | Very low | 34.6 | Very low | 206 Ų | 206 | 130.3 Ų | 130.3 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | trans | 84.7 | 93.2 | 161.5 | -56.7 | -169.4 | 161.1 | 87.6 | 1.2 | 121 | ||||
| 359 | S | 39.4 | Very low | 34.8 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | 38.2 | 146 | 111.1 | -41.9 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 360 | E | 42.1 | Very low | 35 | Very low | 176 Ų | 176 | 133.4 Ų | 133.4 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | 104.6 | 98 | 154.2 | -55.3 | -162 | 164.8 | 0 | 0 | 116.1 | ||||
| 361 | T | 36.1 | Very low | 35.1 | Very low | 134 Ų | 134 | 133 Ų | 133 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | 52.9 | 124 | 87.9 | 58.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 362 | A | 36.3 | Very low | 35.3 | Very low | 93 Ų | 93 | 131.7 Ų | 131.7 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | cis | -162 | 139.5 | 40.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 363 | S | 36.1 | Very low | 35.3 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | 95.9 | 140.5 | 76.8 | -165.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 364 | S | 39.7 | Very low | 35.5 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 80.3 | 108.5 | -174.9 | 73.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 365 | G | 33.6 | Very low | 36.7 | Very low | 64 Ų | 64 | 133.4 Ų | 133.4 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | cis | 74.9 | 116.6 | 36.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 366 | Y | 37.3 | Very low | 37.8 | Very low | 225 Ų | 225 | 130.9 Ų | 130.9 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | cis | -175.4 | 174.7 | 48.1 | 50.8 | -89.3 | 0 | 0 | 0 | 105.9 | ||||
| 367 | A | 33.3 | Very low | 37.5 | Very low | 85 Ų | 85 | 131.7 Ų | 131.7 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | cis | -178.9 | 137.1 | -28.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 368 | S | 34.3 | Very low | 37.5 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | 178.2 | 131.4 | 152.2 | -80.1 | 0 | 0 | 0 | 0 | 105 | ||||
| 369 | V | 35 | Very low | 37 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | -162 | 133.3 | 69.5 | 171.4 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 370 | Q | 34.1 | Very low | 36.6 | Very low | 191 Ų | 191 | 136.6 Ų | 136.6 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -76.3 | 153.9 | 160.6 | -68.9 | 168.1 | -28.9 | 0 | 0 | 109.2 | ||||
| 371 | G | 30.4 | Very low | 35.9 | Very low | 79 Ų | 79 | 134.5 Ų | 134.5 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | cis | 178.1 | -168.1 | 15.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 372 | A | 32.2 | Very low | 35.7 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | -140.7 | 140.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 373 | D | 32.7 | Very low | 35.4 | Very low | 167 Ų | 167 | 135 Ų | 135 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | 75.1 | 131.1 | 144.8 | -55.6 | -29.4 | 0 | 0 | 0 | 124.2 | ||||
| 374 | E | 34.7 | Very low | 35.1 | Very low | 180 Ų | 180 | 134.8 Ų | 134.8 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | -64.2 | -166.1 | 173.9 | -117.6 | -169 | 95.5 | 0 | 0 | 115.1 | ||||
| 375 | P | 59.8 | Low | 34.7 | Very low | 93 Ų | 93 | 135.8 Ų | 135.8 | 60% | 0.604 | 77% | 0.774 | S | S | * | * | cis | -133 | -143.1 | -37.4 | 36.4 | -14.7 | 0 | 0 | 0 | 110.3 | ||||
| 376 | P | 58.6 | Low | 34.6 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | cis | -140.8 | 175.9 | -10.9 | 37.3 | -16.3 | 0 | 0 | 0 | 117.1 | ||||
| 377 | L | 29.5 | Very low | 34.2 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -174.9 | 152.1 | 130.5 | -103.7 | 154.7 | 0 | 0 | 0 | 114.2 | ||||
| 378 | E | 34 | Very low | 34.1 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -89.4 | 159.7 | -157.1 | -54.7 | 171.4 | 134 | 0 | 0 | 115.7 | ||||
| 379 | E | 28.3 | Very low | 34 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 95% | 0.949 | 78% | 0.776 | S | S | * | * | -163.7 | 162.8 | 120.7 | -128.9 | -178.2 | 179.6 | 0 | 0 | 112.7 | |||||
| 380 | H | 30.7 | Very low | 33.7 | Very low | 149 Ų | 149 | 142 Ų | 142 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | trans | -113.5 | 157.2 | -145.8 | -166.7 | 54.4 | 0 | 0 | 0 | 112.3 | ||||
| 381 | V | 28.3 | Very low | 33.5 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | 167.7 | 127.5 | 129.3 | 164.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 382 | Q | 31.4 | Very low | 33.5 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 71% | 0.71 | 76% | 0.757 | S | S | * | * | trans | -57.9 | 179.6 | 168.5 | -85.6 | 155.5 | -49.3 | 0 | 0 | 114.7 | ||||
| 383 | S | 29.6 | Very low | 33.5 | Very low | 85 Ų | 85 | 144.7 Ų | 144.7 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | cis | -177.9 | 162.7 | -28.4 | 63.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 384 | T | 30.4 | Very low | 33.4 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 69% | 0.693 | 75% | 0.753 | S | S | * | * | trans | 76.2 | 122.7 | 144.3 | 48.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 385 | N | 30.9 | Very low | 33.2 | Very low | 135 Ų | 135 | 140 Ų | 140 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | 111.1 | 110.4 | 128.8 | -65.5 | -1.2 | 0 | 0 | 0 | 122.1 | |||||
| 386 | E | 32 | Very low | 31.7 | Very low | 169 Ų | 169 | 143 Ų | 143 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | 30.9 | 125.1 | 122.5 | -56.1 | -172.9 | 139.7 | 0 | 0 | 122.7 | |||||
| 387 | N | 28.7 | Very low | 30.3 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | 168.7 | 117.5 | 123.7 | -91.5 | -47.6 | 0 | 0 | 0 | 108.8 | |||||
| 388 | L | 30.4 | Very low | 30.4 | Very low | 140 Ų | 140 | 141 Ų | 141 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | 67.9 | 105.8 | 70.6 | -141.3 | 93 | 0 | 0 | 0 | 115.2 | |||||
| 389 | Q | 32.2 | Very low | 30.2 | Very low | 170 Ų | 170 | 138 Ų | 138 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | 159.9 | 121.5 | 120 | -89.3 | 175.5 | -24.4 | 0 | 0 | 110.9 | |||||
| 390 | L | 28.6 | Very low | 30.4 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | 76.8 | 122.4 | 68.4 | -132 | 113 | 0 | 0 | 0 | 113.9 | |||||
| 391 | V | 29.4 | Very low | 30.5 | Very low | 125 Ų | 125 | 134 Ų | 134 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | trans | 167.1 | 101.1 | 134 | 174.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 392 | N | 30.2 | Very low | 30.7 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | 64.6 | 120.5 | 77.7 | -78.3 | 0.6 | 0 | 0 | 0 | 116.9 | |||||
| 393 | H | 32.2 | Very low | 31.1 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | -176 | 115 | 124.5 | -96.6 | -71.3 | 0 | 0 | 0 | 106.9 | |||||
| 394 | E | 31.3 | Very low | 31.8 | Very low | 169 Ų | 169 | 134 Ų | 134 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | 59.5 | 139.5 | 89.3 | -76.3 | -175.5 | 144 | 0 | 0 | 113.3 | |||||
| 395 | A | 30 | Very low | 31.9 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | cis | -170.4 | 150.6 | -3.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 396 | N | 28.4 | Very low | 32.1 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | 160.8 | 125.2 | 126 | -97.7 | 4.9 | 0 | 0 | 0 | 115.5 | |||||
| 397 | S | 29.9 | Very low | 32.2 | Very low | 93 Ų | 93 | 135 Ų | 135 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | trans | -19.2 | 137.1 | 152.5 | 55.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 398 | V | 31.8 | Very low | 32.5 | Very low | 138 Ų | 138 | 134 Ų | 134 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | 60.8 | 119.7 | 122.6 | -173.5 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 399 | S | 30.3 | Very low | 33.3 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | -168 | 132.3 | 125.1 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 400 | V | 32.8 | Very low | 33.2 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | -93.8 | 140.3 | 166.1 | 174.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 401 | D | 31.1 | Very low | 33.5 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | 166.5 | 138.4 | 126.2 | -99.1 | -31.6 | 0 | 0 | 0 | 115.3 | |||||
| 402 | V | 33.6 | Very low | 33.7 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | 78.3 | 123.1 | 132.6 | 178.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 403 | V | 39.3 | Very low | 34 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | -58.7 | 156.8 | 163.2 | 174.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 404 | P | 44.3 | Very low | 34.1 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -122.5 | 146 | 142.5 | 32.3 | -19.8 | 0 | 0 | 0 | 113.3 | ||||
| 405 | H | 31.6 | Very low | 34.4 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | trans | -104.1 | 133 | 177.3 | -165.9 | 17.7 | 0 | 0 | 0 | 108.3 | ||||
| 406 | V | 36.9 | Very low | 34.7 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 60% | 0.6 | 75% | 0.746 | S | S | * | * | trans | 52.6 | 127.7 | 149 | 171.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 407 | D | 33.1 | Very low | 35.8 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | -145.7 | 137.1 | 125.7 | -87.6 | -39.1 | 0 | 0 | 0 | 110.6 | |||||
| 408 | N | 34.3 | Very low | 36.1 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | trans | -109.3 | 153 | 177.2 | -178.9 | 44.2 | 0 | 0 | 0 | 108.7 | ||||
| 409 | P | 47.7 | Very low | 36.3 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | trans | -130.6 | 117.1 | 141.4 | 29.7 | -13.4 | 0 | 0 | 0 | 112.7 | ||||
| 410 | T | 30.5 | Very low | 36.5 | Very low | 119 Ų | 119 | 137 Ų | 137 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | 18.1 | 136.7 | 112 | -37.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 411 | F | 33.9 | Very low | 36.6 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 61% | 0.61 | 74% | 0.741 | S | S | * | * | cis | 177.3 | 146.9 | 10.6 | 170.2 | -106.5 | 0 | 0 | 0 | 105.9 | E413 | F411-E413 HydrophobicContact CE1-CG 3.93Å; F411-E413 WeakPolarHBondContact CE1-OE2 3.44Å; F411-E413 HydrophobicContact CE2-CG 3.77Å; F411-E413 HydrophobicContact CZ-CG 3.45Å; F411-E413 VanDerWaalsContact CZ-CG 3.45Å; F411-E413 WeakPolarHBondContact CZ-OE1 3.34Å; F411-E413 WeakPolarHBondContact CZ-OE2 3.47Å | ||
| 412 | E | 35.6 | Very low | 36.7 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | 178.2 | 116.6 | 109.8 | -86.5 | -178.1 | 165.1 | 0 | 0 | 105.5 | |||||
| 413 | E | 35.3 | Very low | 37.1 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 65% | 0.654 | 74% | 0.743 | S | S | * | * | 68.4 | 111.4 | 86.9 | -81.9 | -171.8 | 160.8 | 0 | 0 | 115.2 | F411 | F411-E413 HydrophobicContact CE1-CG 3.93Å; F411-E413 WeakPolarHBondContact CE1-OE2 3.44Å; F411-E413 HydrophobicContact CE2-CG 3.77Å; F411-E413 HydrophobicContact CZ-CG 3.45Å; F411-E413 VanDerWaalsContact CZ-CG 3.45Å; F411-E413 WeakPolarHBondContact CZ-OE1 3.34Å; F411-E413 WeakPolarHBondContact CZ-OE2 3.47Å | |||
| 414 | D | 33.9 | Very low | 37 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 90% | 0.904 | 75% | 0.749 | S | S | * | * | -154.1 | 144.7 | 121.7 | -152.6 | 1 | 0 | 0 | 0 | 110.9 | |||||
| 415 | E | 39 | Very low | 37 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 67% | 0.673 | 75% | 0.752 | S | S | * | * | trans | -107.7 | 140.5 | -157.6 | -91 | -157.3 | 135.6 | 0 | 0 | 113.9 | ||||
| 416 | T | 35.9 | Very low | 37.5 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | trans | 65.3 | 171.7 | 133.5 | 72.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 417 | P | 50.2 | Low | 38 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | cis | -131.7 | 148.4 | -4.5 | 19 | 6.1 | 0 | 0 | 0 | 117.2 | ||||
| 418 | D | 37.8 | Very low | 38.7 | Very low | 150 Ų | 150 | 149 Ų | 149 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | 38.5 | 149.4 | 118.9 | -78.5 | -25.5 | 0 | 0 | 0 | 127 | |||||
| 419 | Q | 35.1 | Very low | 38.9 | Very low | 164 Ų | 164 | 150 Ų | 150 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | 89.7 | 112 | 150.2 | -83.9 | 177.8 | -23.1 | 0 | 0 | 119.5 | ||||
| 420 | E | 34.9 | Very low | 38.4 | Very low | 152 Ų | 152 | 152.1 Ų | 152.1 | 71% | 0.71 | 80% | 0.797 | S | S | * | * | 98 | 135 | 55.3 | -158.1 | -171.1 | 174.1 | 0 | 0 | 112.1 | |||||
| 421 | T | 33.6 | Very low | 38.9 | Very low | 127 Ų | 127 | 153.9 Ų | 153.9 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | 105.1 | 133.2 | 156.3 | 66 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 422 | A | 35 | Very low | 39.2 | Very low | 89 Ų | 89 | 154.8 Ų | 154.8 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | trans | 98.4 | 95.6 | 140.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 423 | V | 41 | Very low | 39.4 | Very low | 136 Ų | 136 | 153.9 Ų | 153.9 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | 28.5 | 122.5 | 116 | -174.6 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 424 | R | 37.8 | Very low | 39.7 | Very low | 231 Ų | 231 | 154.9 Ų | 154.9 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | -173.1 | 124.3 | 127.7 | -103.6 | 165.9 | -173.3 | -174.9 | 3 | 113.4 | |||||
| 425 | E | 42.9 | Very low | 40.1 | Very low | 189 Ų | 189 | 153.9 Ų | 153.9 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -55.3 | 137.1 | 150.7 | -70.2 | 173.7 | 117.9 | 0 | 0 | 110.3 | ||||
| 426 | I | 42.2 | Very low | 40.2 | Very low | 159 Ų | 159 | 154.6 Ų | 154.6 | 82% | 0.815 | 83% | 0.83 | S | S | * | * | trans | -146.5 | 126.3 | 141.3 | -59.2 | -172.9 | 0 | 0 | 0 | 109.4 | ||||
| 427 | K | 48.3 | Very low | 40.5 | Very low | 204 Ų | 204 | 158.5 Ų | 158.5 | 89% | 0.887 | 84% | 0.844 | S | S | * | * | trans | -46.3 | 140.3 | 164 | -107.2 | 170.6 | 170.5 | 174.9 | 0 | 114.1 | ||||
| 428 | S | 47.4 | Very low | 39.7 | Very low | 191 Ų | 191 | 162.9 Ų | 162.9 | 100% | 1.336 | 86% | 0.856 | S | S | * | * | trans | -152 | 0 | 132.8 | 178 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 428 of 428 residues in 190.1 ms
(Link to these results)